| Chain sequence(s) |
A: MKLKLNVLTIILLPVHLLITIYSALIFIPWYFLTNAKKKNAMAKRIKAKPTSDKPGSPYRSVTHFDSLAVIDIPGADTLDKLFDHAVSKFGKKDSLGTREILSEENEMQPNGKVFKKLILGNYKWMNYLEVNRRVNNFGSGLTALGLKPKNTIAIFCETRAEWMIAAQTCFKYNFPLVTLYATLGKEAVVHGLNESEASYLITSVELLESKLKTALLDISCVKHIIYVDNKAINKAEYPEGFEIHSMQSVEELGSNPENLGIPPSRPTPSDMAIVMYTSGSTGRPKGVMMHHSNLIAGMTGQCERIPGLGPKDTYIGYLPLAHVLELTAEISCFTYGCRIGYSSPLTLSDQSSKIKKGSKGDCTVLKPTLMAAVPEIMDRIYKNVMSKVQEMNYIQKTLFKIGYDYKLEQIKKGYDAPLCNLLLFKKVKALLGGNVRMMLSGGAPLSPQTHRFMNVCFCCPIGQGYGLTESCGAGTVTEVTDYTTGRVGAPLICCEIKLKDWQEGGYTINDKPNPRGEIVIGGQNISMGYFKNEEKTAEDYSVDENGQRWFCTGDIGEFHPDGCLQIIDRKKDLVKLQAGEYVSLGKVEAALKNCPLIDNICAFAKSDQSYVISFVVPNQKRLTLLAQQKGVEGTWVDICNNPAMEAEILKEIREAANAMKLERFEIPIKVRLSPEPWTPETGLVTDAFKLKRKELRNHYLKDIERMYGGK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | Yes |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:20:50)
[INFO] Auto_mut: Residue number 28 from chain A and a score of 3.894 (isoleucine) selected
for automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 25 from chain A and a score of 3.497 (leucine) selected for
automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 26 from chain A and a score of 3.477 (isoleucine) selected
for automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 27 from chain A and a score of 3.448 (phenylalanine)
selected for automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 21 from chain A and a score of 3.245 (isoleucine) selected
for automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 11 from chain A and a score of 3.216 (isoleucine) selected
for automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 10 from chain A and a score of 2.997 (isoleucine) selected
for automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 32 from chain A and a score of 2.992 (phenylalanine)
selected for automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 22 from chain A and a score of 2.943 (tyrosine) selected for
automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 29 from chain A and a score of 2.914 (proline) selected for
automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 33 from chain A and a score of 2.776 (leucine) selected for
automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 30 from chain A and a score of 2.676 (tryptophan) selected
for automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 24 from chain A and a score of 2.571 (alanine) selected for
automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 8 from chain A and a score of 2.547 (leucine) selected for
automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 17 from chain A and a score of 2.539 (leucine) selected for
automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 23 from chain A and a score of 2.538 (serine) selected for
automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 31 from chain A and a score of 2.389 (tyrosine) selected for
automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 7 from chain A and a score of 2.318 (valine) selected for
automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 18 from chain A and a score of 2.306 (leucine) selected for
automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 13 from chain A and a score of 2.211 (leucine) selected for
automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 20 from chain A and a score of 2.109 (threonine) selected
for automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 9 from chain A and a score of 1.972 (threonine) selected for
automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 19 from chain A and a score of 1.958 (isoleucine) selected
for automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 15 from chain A and a score of 1.909 (valine) selected for
automated muatation (00:21:00)
[INFO] Auto_mut: Residue number 16 from chain A and a score of 1.826 (histidine) selected
for automated muatation (00:21:00)
[INFO] Auto_mut: Mutating residue number 28 from chain A (isoleucine) into glutamic acid (00:21:00)
[INFO] Auto_mut: Mutating residue number 21 from chain A (isoleucine) into aspartic acid (00:21:00)
[INFO] Auto_mut: Mutating residue number 26 from chain A (isoleucine) into lysine (00:21:00)
[INFO] Auto_mut: Mutating residue number 28 from chain A (isoleucine) into lysine (00:30:14)
[INFO] Auto_mut: Mutating residue number 21 from chain A (isoleucine) into arginine (00:30:37)
[INFO] Auto_mut: Mutating residue number 26 from chain A (isoleucine) into aspartic acid (00:31:26)
[INFO] Auto_mut: Mutating residue number 28 from chain A (isoleucine) into aspartic acid (00:39:45)
[INFO] Auto_mut: Mutating residue number 11 from chain A (isoleucine) into glutamic acid (00:40:48)
[INFO] Auto_mut: Mutating residue number 26 from chain A (isoleucine) into arginine (00:41:07)
[INFO] Auto_mut: Mutating residue number 28 from chain A (isoleucine) into arginine (00:48:36)
[INFO] Auto_mut: Mutating residue number 11 from chain A (isoleucine) into lysine (00:50:22)
[INFO] Auto_mut: Mutating residue number 27 from chain A (phenylalanine) into glutamic acid
Mutating residue number 27 from chain A (phenylalanine) into glutamic acid (00:50:47)
[INFO] Auto_mut: Mutating residue number 25 from chain A (leucine) into glutamic acid (00:57:45)
[INFO] Auto_mut: Mutating residue number 11 from chain A (isoleucine) into aspartic acid (01:00:05)
[INFO] Auto_mut: Mutating residue number 27 from chain A (phenylalanine) into lysine (01:00:19)
[INFO] Auto_mut: Mutating residue number 25 from chain A (leucine) into lysine (01:06:44)
[INFO] Auto_mut: Mutating residue number 11 from chain A (isoleucine) into arginine (01:09:10)
[INFO] Auto_mut: Mutating residue number 27 from chain A (phenylalanine) into aspartic acid
Mutating residue number 27 from chain A (phenylalanine) into aspartic acid (01:10:33)
[INFO] Auto_mut: Mutating residue number 25 from chain A (leucine) into aspartic acid (01:16:02)
[INFO] Auto_mut: Mutating residue number 10 from chain A (isoleucine) into glutamic acid (01:18:50)
[INFO] Auto_mut: Mutating residue number 27 from chain A (phenylalanine) into arginine (01:20:01)
[INFO] Auto_mut: Mutating residue number 25 from chain A (leucine) into arginine (01:24:40)
[INFO] Auto_mut: Mutating residue number 10 from chain A (isoleucine) into lysine (01:28:06)
[INFO] Auto_mut: Mutating residue number 21 from chain A (isoleucine) into glutamic acid (01:29:44)
[INFO] Auto_mut: Mutating residue number 26 from chain A (isoleucine) into glutamic acid (01:33:33)
[INFO] Auto_mut: Mutating residue number 10 from chain A (isoleucine) into aspartic acid (01:37:31)
[INFO] Auto_mut: Mutating residue number 21 from chain A (isoleucine) into lysine (01:39:01)
[INFO] Auto_mut: Mutating residue number 10 from chain A (isoleucine) into arginine (01:42:49)
[INFO] Auto_mut: Mutating residue number 29 from chain A (proline) into glutamic acid (01:46:37)
[INFO] Auto_mut: Mutating residue number 30 from chain A (tryptophan) into lysine (01:48:26)
[INFO] Auto_mut: Mutating residue number 32 from chain A (phenylalanine) into glutamic acid
Mutating residue number 32 from chain A (phenylalanine) into glutamic acid (01:52:46)
[INFO] Auto_mut: Mutating residue number 29 from chain A (proline) into lysine (01:56:03)
[INFO] Auto_mut: Mutating residue number 30 from chain A (tryptophan) into aspartic acid (01:58:21)
[INFO] Auto_mut: Mutating residue number 32 from chain A (phenylalanine) into lysine (02:01:18)
[INFO] Auto_mut: Mutating residue number 29 from chain A (proline) into aspartic acid (02:04:55)
[INFO] Auto_mut: Mutating residue number 30 from chain A (tryptophan) into arginine (02:06:58)
[INFO] Auto_mut: Mutating residue number 32 from chain A (phenylalanine) into aspartic acid
Mutating residue number 32 from chain A (phenylalanine) into aspartic acid (02:10:52)
[INFO] Auto_mut: Mutating residue number 29 from chain A (proline) into arginine (02:14:13)
[INFO] Auto_mut: Mutating residue number 24 from chain A (alanine) into glutamic acid (02:16:30)
[INFO] Auto_mut: Mutating residue number 32 from chain A (phenylalanine) into arginine (02:19:22)
[INFO] Auto_mut: Mutating residue number 33 from chain A (leucine) into glutamic acid (02:22:58)
[INFO] Auto_mut: Mutating residue number 24 from chain A (alanine) into lysine (02:25:16)
[INFO] Auto_mut: Mutating residue number 22 from chain A (tyrosine) into glutamic acid (02:28:46)
[INFO] Auto_mut: Mutating residue number 33 from chain A (leucine) into lysine (02:31:36)
[INFO] Auto_mut: Mutating residue number 24 from chain A (alanine) into aspartic acid (02:34:40)
[INFO] Auto_mut: Mutating residue number 22 from chain A (tyrosine) into lysine (02:37:13)
[INFO] Auto_mut: Mutating residue number 33 from chain A (leucine) into aspartic acid (02:41:12)
[INFO] Auto_mut: Mutating residue number 24 from chain A (alanine) into arginine (02:43:05)
[INFO] Auto_mut: Mutating residue number 22 from chain A (tyrosine) into aspartic acid (02:46:38)
[INFO] Auto_mut: Mutating residue number 33 from chain A (leucine) into arginine (02:50:08)
[INFO] Auto_mut: Mutating residue number 8 from chain A (leucine) into glutamic acid (02:51:48)
[INFO] Auto_mut: Mutating residue number 22 from chain A (tyrosine) into arginine (02:55:04)
[INFO] Auto_mut: Mutating residue number 30 from chain A (tryptophan) into glutamic acid (02:59:11)
[INFO] Auto_mut: Mutating residue number 8 from chain A (leucine) into lysine (03:00:20)
[INFO] Auto_mut: Mutating residue number 8 from chain A (leucine) into aspartic acid (03:03:37)
[INFO] Auto_mut: Mutating residue number 23 from chain A (serine) into arginine (03:08:23)
[INFO] Auto_mut: Mutating residue number 18 from chain A (leucine) into glutamic acid (03:09:16)
[INFO] Auto_mut: Mutating residue number 8 from chain A (leucine) into arginine (03:12:30)
[INFO] Auto_mut: Mutating residue number 31 from chain A (tyrosine) into glutamic acid (03:17:12)
[INFO] Auto_mut: Mutating residue number 18 from chain A (leucine) into lysine (03:17:46)
[INFO] Auto_mut: Mutating residue number 17 from chain A (leucine) into glutamic acid (03:21:14)
[INFO] Auto_mut: Mutating residue number 31 from chain A (tyrosine) into lysine (03:26:21)
[INFO] Auto_mut: Mutating residue number 18 from chain A (leucine) into aspartic acid (03:26:59)
[INFO] Auto_mut: Mutating residue number 17 from chain A (leucine) into lysine (03:29:52)
[INFO] Auto_mut: Mutating residue number 18 from chain A (leucine) into arginine (03:35:36)
[INFO] Auto_mut: Mutating residue number 31 from chain A (tyrosine) into aspartic acid (03:36:02)
[INFO] Auto_mut: Mutating residue number 17 from chain A (leucine) into aspartic acid (03:39:21)
[INFO] Auto_mut: Mutating residue number 13 from chain A (leucine) into glutamic acid (03:44:58)
[INFO] Auto_mut: Mutating residue number 31 from chain A (tyrosine) into arginine (03:44:59)
[INFO] Auto_mut: Mutating residue number 17 from chain A (leucine) into arginine (03:48:13)
[INFO] Auto_mut: Mutating residue number 13 from chain A (leucine) into lysine (03:53:47)
[INFO] Auto_mut: Mutating residue number 7 from chain A (valine) into glutamic acid (03:54:26)
[INFO] Auto_mut: Mutating residue number 23 from chain A (serine) into glutamic acid (03:57:19)
[INFO] Auto_mut: Mutating residue number 13 from chain A (leucine) into aspartic acid (04:03:42)
[INFO] Auto_mut: Mutating residue number 7 from chain A (valine) into lysine (04:04:00)
[INFO] Auto_mut: Mutating residue number 23 from chain A (serine) into lysine (04:07:09)
[INFO] Auto_mut: Mutating residue number 13 from chain A (leucine) into arginine (04:12:58)
[INFO] Auto_mut: Mutating residue number 7 from chain A (valine) into aspartic acid (04:13:39)
[INFO] Auto_mut: Mutating residue number 23 from chain A (serine) into aspartic acid (04:17:18)
[INFO] Auto_mut: Mutating residue number 20 from chain A (threonine) into glutamic acid (04:22:19)
[INFO] Auto_mut: Mutating residue number 7 from chain A (valine) into arginine (04:22:41)
[INFO] Auto_mut: Mutating residue number 20 from chain A (threonine) into lysine (04:26:50)
[INFO] Auto_mut: Mutating residue number 19 from chain A (isoleucine) into aspartic acid (04:31:21)
[INFO] Auto_mut: Mutating residue number 16 from chain A (histidine) into arginine (04:31:51)
[INFO] Auto_mut: Mutating residue number 20 from chain A (threonine) into aspartic acid (04:36:42)
[INFO] Auto_mut: Mutating residue number 19 from chain A (isoleucine) into arginine (04:40:26)
[INFO] Auto_mut: Mutating residue number 20 from chain A (threonine) into arginine (04:45:47)
[INFO] Auto_mut: Mutating residue number 15 from chain A (valine) into glutamic acid (04:49:51)
[INFO] Auto_mut: Mutating residue number 9 from chain A (threonine) into glutamic acid (04:56:23)
[INFO] Auto_mut: Mutating residue number 15 from chain A (valine) into lysine (05:00:21)
[INFO] Auto_mut: Mutating residue number 9 from chain A (threonine) into lysine (05:06:45)
[INFO] Auto_mut: Mutating residue number 15 from chain A (valine) into aspartic acid (05:10:33)
[INFO] Auto_mut: Mutating residue number 9 from chain A (threonine) into aspartic acid (05:18:25)
[INFO] Auto_mut: Mutating residue number 15 from chain A (valine) into arginine (05:22:47)
[INFO] Auto_mut: Mutating residue number 9 from chain A (threonine) into arginine (05:32:09)
[INFO] Auto_mut: Mutating residue number 16 from chain A (histidine) into glutamic acid (05:35:00)
[INFO] Auto_mut: Mutating residue number 19 from chain A (isoleucine) into glutamic acid (05:41:09)
[INFO] Auto_mut: Mutating residue number 16 from chain A (histidine) into lysine (05:43:42)
[INFO] Auto_mut: Mutating residue number 19 from chain A (isoleucine) into lysine (05:49:19)
[INFO] Auto_mut: Mutating residue number 16 from chain A (histidine) into aspartic acid (05:52:32)
[INFO] Auto_mut: Effect of mutation residue number 28 from chain A (isoleucine) into
glutamic acid: Energy difference: 0.0124 kcal/mol, Difference in average
score from the base case: -0.0268 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 28 from chain A (isoleucine) into lysine:
Energy difference: -0.3918 kcal/mol, Difference in average score from the
base case: -0.0230 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 28 from chain A (isoleucine) into
aspartic acid: Energy difference: 0.2592 kcal/mol, Difference in average
score from the base case: -0.0227 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 28 from chain A (isoleucine) into
arginine: Energy difference: -0.6963 kcal/mol, Difference in average score
from the base case: -0.0239 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 25 from chain A (leucine) into glutamic
acid: Energy difference: 0.6563 kcal/mol, Difference in average score from
the base case: -0.0158 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 25 from chain A (leucine) into lysine:
Energy difference: 0.2692 kcal/mol, Difference in average score from the
base case: -0.0199 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 25 from chain A (leucine) into aspartic
acid: Energy difference: 1.0169 kcal/mol, Difference in average score from
the base case: -0.0181 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 25 from chain A (leucine) into arginine:
Energy difference: -0.1127 kcal/mol, Difference in average score from the
base case: -0.0243 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 26 from chain A (isoleucine) into
glutamic acid: Energy difference: 0.4529 kcal/mol, Difference in average
score from the base case: -0.0194 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 26 from chain A (isoleucine) into lysine:
Energy difference: -0.0930 kcal/mol, Difference in average score from the
base case: -0.0168 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 26 from chain A (isoleucine) into
aspartic acid: Energy difference: 0.8000 kcal/mol, Difference in average
score from the base case: -0.0217 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 26 from chain A (isoleucine) into
arginine: Energy difference: -1.2475 kcal/mol, Difference in average score
from the base case: -0.0181 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 27 from chain A (phenylalanine) into
glutamic acid: Energy difference: 1.3364 kcal/mol, Difference in average
score from the base case: -0.0084 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 27 from chain A (phenylalanine) into
lysine: Energy difference: 1.1567 kcal/mol, Difference in average score
from the base case: -0.0097 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 27 from chain A (phenylalanine) into
aspartic acid: Energy difference: 1.9665 kcal/mol, Difference in average
score from the base case: -0.0139 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 27 from chain A (phenylalanine) into
arginine: Energy difference: 0.7685 kcal/mol, Difference in average score
from the base case: -0.0157 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 21 from chain A (isoleucine) into
glutamic acid: Energy difference: 0.6393 kcal/mol, Difference in average
score from the base case: -0.0182 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 21 from chain A (isoleucine) into lysine:
Energy difference: 0.5761 kcal/mol, Difference in average score from the
base case: -0.0181 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 21 from chain A (isoleucine) into
aspartic acid: Energy difference: 1.0540 kcal/mol, Difference in average
score from the base case: -0.0207 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 21 from chain A (isoleucine) into
arginine: Energy difference: 0.4457 kcal/mol, Difference in average score
from the base case: -0.0212 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 11 from chain A (isoleucine) into
glutamic acid: Energy difference: 0.3356 kcal/mol, Difference in average
score from the base case: -0.0218 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 11 from chain A (isoleucine) into lysine:
Energy difference: -0.2401 kcal/mol, Difference in average score from the
base case: -0.0200 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 11 from chain A (isoleucine) into
aspartic acid: Energy difference: 0.7965 kcal/mol, Difference in average
score from the base case: -0.0195 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 11 from chain A (isoleucine) into
arginine: Energy difference: -0.0125 kcal/mol, Difference in average score
from the base case: -0.0257 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 10 from chain A (isoleucine) into
glutamic acid: Energy difference: 0.3842 kcal/mol, Difference in average
score from the base case: -0.0189 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 10 from chain A (isoleucine) into lysine:
Energy difference: 0.1825 kcal/mol, Difference in average score from the
base case: -0.0143 (06:01:13)
[INFO] Auto_mut: Effect of mutation residue number 10 from chain A (isoleucine) into
aspartic acid: Energy difference: 0.9220 kcal/mol, Difference in average
score from the base case: -0.0191 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 10 from chain A (isoleucine) into
arginine: Energy difference: 0.2003 kcal/mol, Difference in average score
from the base case: -0.0189 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 32 from chain A (phenylalanine) into
glutamic acid: Energy difference: -0.0798 kcal/mol, Difference in average
score from the base case: -0.0283 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 32 from chain A (phenylalanine) into
lysine: Energy difference: -0.0175 kcal/mol, Difference in average score
from the base case: -0.0199 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 32 from chain A (phenylalanine) into
aspartic acid: Energy difference: 0.2803 kcal/mol, Difference in average
score from the base case: -0.0232 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 32 from chain A (phenylalanine) into
arginine: Energy difference: -0.1287 kcal/mol, Difference in average score
from the base case: -0.0278 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 22 from chain A (tyrosine) into glutamic
acid: Energy difference: 1.7277 kcal/mol, Difference in average score from
the base case: -0.0117 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 22 from chain A (tyrosine) into lysine:
Energy difference: 0.8795 kcal/mol, Difference in average score from the
base case: -0.0078 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 22 from chain A (tyrosine) into aspartic
acid: Energy difference: 2.4412 kcal/mol, Difference in average score from
the base case: -0.0047 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 22 from chain A (tyrosine) into arginine:
Energy difference: 1.1121 kcal/mol, Difference in average score from the
base case: -0.0133 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 29 from chain A (proline) into glutamic
acid: Energy difference: 1.8231 kcal/mol, Difference in average score from
the base case: -0.0149 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 29 from chain A (proline) into lysine:
Energy difference: 1.6098 kcal/mol, Difference in average score from the
base case: -0.0118 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 29 from chain A (proline) into aspartic
acid: Energy difference: 2.2389 kcal/mol, Difference in average score from
the base case: -0.0148 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 29 from chain A (proline) into arginine:
Energy difference: 1.4522 kcal/mol, Difference in average score from the
base case: -0.0138 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 33 from chain A (leucine) into glutamic
acid: Energy difference: 0.2039 kcal/mol, Difference in average score from
the base case: -0.0231 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 33 from chain A (leucine) into lysine:
Energy difference: -0.5526 kcal/mol, Difference in average score from the
base case: -0.0192 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 33 from chain A (leucine) into aspartic
acid: Energy difference: 0.4503 kcal/mol, Difference in average score from
the base case: -0.0219 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 33 from chain A (leucine) into arginine:
Energy difference: -0.2939 kcal/mol, Difference in average score from the
base case: -0.0217 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 30 from chain A (tryptophan) into
glutamic acid: Energy difference: 3.2866 kcal/mol, Difference in average
score from the base case: -0.0187 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 30 from chain A (tryptophan) into lysine:
Energy difference: 2.0021 kcal/mol, Difference in average score from the
base case: -0.0201 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 30 from chain A (tryptophan) into
aspartic acid: Energy difference: 3.8162 kcal/mol, Difference in average
score from the base case: -0.0107 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 30 from chain A (tryptophan) into
arginine: Energy difference: 2.2144 kcal/mol, Difference in average score
from the base case: -0.0237 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 24 from chain A (alanine) into glutamic
acid: Energy difference: 0.1932 kcal/mol, Difference in average score from
the base case: -0.0126 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 24 from chain A (alanine) into lysine:
Energy difference: -0.2693 kcal/mol, Difference in average score from the
base case: -0.0122 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 24 from chain A (alanine) into aspartic
acid: Energy difference: 0.3415 kcal/mol, Difference in average score from
the base case: -0.0098 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 24 from chain A (alanine) into arginine:
Energy difference: -0.3823 kcal/mol, Difference in average score from the
base case: -0.0164 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 8 from chain A (leucine) into glutamic
acid: Energy difference: 1.9136 kcal/mol, Difference in average score from
the base case: -0.0133 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 8 from chain A (leucine) into lysine:
Energy difference: 1.1266 kcal/mol, Difference in average score from the
base case: -0.0094 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 8 from chain A (leucine) into aspartic
acid: Energy difference: 2.7599 kcal/mol, Difference in average score from
the base case: -0.0083 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 8 from chain A (leucine) into arginine:
Energy difference: 1.0853 kcal/mol, Difference in average score from the
base case: -0.0118 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 17 from chain A (leucine) into glutamic
acid: Energy difference: 0.2839 kcal/mol, Difference in average score from
the base case: -0.0227 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 17 from chain A (leucine) into lysine:
Energy difference: 0.0389 kcal/mol, Difference in average score from the
base case: -0.0229 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 17 from chain A (leucine) into aspartic
acid: Energy difference: 0.7093 kcal/mol, Difference in average score from
the base case: -0.0193 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 17 from chain A (leucine) into arginine:
Energy difference: -0.1033 kcal/mol, Difference in average score from the
base case: -0.0225 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 23 from chain A (serine) into glutamic
acid: Energy difference: -1.2903 kcal/mol, Difference in average score from
the base case: -0.0056 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 23 from chain A (serine) into lysine:
Energy difference: -0.9919 kcal/mol, Difference in average score from the
base case: -0.0045 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 23 from chain A (serine) into aspartic
acid: Energy difference: -0.6657 kcal/mol, Difference in average score from
the base case: -0.0078 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 23 from chain A (serine) into arginine:
Energy difference: -1.8027 kcal/mol, Difference in average score from the
base case: -0.0060 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 31 from chain A (tyrosine) into glutamic
acid: Energy difference: 0.4930 kcal/mol, Difference in average score from
the base case: -0.0094 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 31 from chain A (tyrosine) into lysine:
Energy difference: -0.0756 kcal/mol, Difference in average score from the
base case: -0.0101 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 31 from chain A (tyrosine) into aspartic
acid: Energy difference: 1.5965 kcal/mol, Difference in average score from
the base case: -0.0108 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 31 from chain A (tyrosine) into arginine:
Energy difference: 0.2937 kcal/mol, Difference in average score from the
base case: -0.0127 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 7 from chain A (valine) into glutamic
acid: Energy difference: -0.5017 kcal/mol, Difference in average score from
the base case: -0.0171 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 7 from chain A (valine) into lysine:
Energy difference: -0.6932 kcal/mol, Difference in average score from the
base case: -0.0184 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 7 from chain A (valine) into aspartic
acid: Energy difference: -0.9268 kcal/mol, Difference in average score from
the base case: -0.0187 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 7 from chain A (valine) into arginine:
Energy difference: -0.3642 kcal/mol, Difference in average score from the
base case: -0.0214 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 18 from chain A (leucine) into glutamic
acid: Energy difference: 1.1101 kcal/mol, Difference in average score from
the base case: -0.0231 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 18 from chain A (leucine) into lysine:
Energy difference: 0.8020 kcal/mol, Difference in average score from the
base case: -0.0127 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 18 from chain A (leucine) into aspartic
acid: Energy difference: 1.1632 kcal/mol, Difference in average score from
the base case: -0.0184 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 18 from chain A (leucine) into arginine:
Energy difference: 0.1406 kcal/mol, Difference in average score from the
base case: -0.0184 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 13 from chain A (leucine) into glutamic
acid: Energy difference: 0.7365 kcal/mol, Difference in average score from
the base case: -0.0204 (06:01:14)
[INFO] Auto_mut: Effect of mutation residue number 13 from chain A (leucine) into lysine:
Energy difference: 0.2430 kcal/mol, Difference in average score from the
base case: -0.0116 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 13 from chain A (leucine) into aspartic
acid: Energy difference: 0.9811 kcal/mol, Difference in average score from
the base case: -0.0158 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 13 from chain A (leucine) into arginine:
Energy difference: 0.1497 kcal/mol, Difference in average score from the
base case: -0.0199 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 20 from chain A (threonine) into glutamic
acid: Energy difference: -0.6182 kcal/mol, Difference in average score from
the base case: -0.0195 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 20 from chain A (threonine) into lysine:
Energy difference: -1.0891 kcal/mol, Difference in average score from the
base case: -0.0157 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 20 from chain A (threonine) into aspartic
acid: Energy difference: -0.2127 kcal/mol, Difference in average score from
the base case: -0.0105 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 20 from chain A (threonine) into
arginine: Energy difference: -1.0845 kcal/mol, Difference in average score
from the base case: -0.0130 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 9 from chain A (threonine) into glutamic
acid: Energy difference: -0.7558 kcal/mol, Difference in average score from
the base case: -0.0034 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 9 from chain A (threonine) into lysine:
Energy difference: -0.9706 kcal/mol, Difference in average score from the
base case: -0.0054 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 9 from chain A (threonine) into aspartic
acid: Energy difference: -1.1114 kcal/mol, Difference in average score from
the base case: -0.0034 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 9 from chain A (threonine) into arginine:
Energy difference: -0.8824 kcal/mol, Difference in average score from the
base case: -0.0085 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 19 from chain A (isoleucine) into
glutamic acid: Energy difference: 2.3686 kcal/mol, Difference in average
score from the base case: -0.0050 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 19 from chain A (isoleucine) into lysine:
Energy difference: 2.0220 kcal/mol, Difference in average score from the
base case: -0.0031 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 19 from chain A (isoleucine) into
aspartic acid: Energy difference: 2.8865 kcal/mol, Difference in average
score from the base case: -0.0052 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 19 from chain A (isoleucine) into
arginine: Energy difference: 2.0063 kcal/mol, Difference in average score
from the base case: -0.0066 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 15 from chain A (valine) into glutamic
acid: Energy difference: 0.7697 kcal/mol, Difference in average score from
the base case: -0.0154 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 15 from chain A (valine) into lysine:
Energy difference: 0.0770 kcal/mol, Difference in average score from the
base case: -0.0101 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 15 from chain A (valine) into aspartic
acid: Energy difference: 1.4496 kcal/mol, Difference in average score from
the base case: -0.0072 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 15 from chain A (valine) into arginine:
Energy difference: 0.2652 kcal/mol, Difference in average score from the
base case: -0.0160 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 16 from chain A (histidine) into glutamic
acid: Energy difference: 0.1994 kcal/mol, Difference in average score from
the base case: -0.0122 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 16 from chain A (histidine) into lysine:
Energy difference: -0.5419 kcal/mol, Difference in average score from the
base case: -0.0045 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 16 from chain A (histidine) into aspartic
acid: Energy difference: 0.6951 kcal/mol, Difference in average score from
the base case: 0.0015 (06:01:15)
[INFO] Auto_mut: Effect of mutation residue number 16 from chain A (histidine) into
arginine: Energy difference: -1.1965 kcal/mol, Difference in average score
from the base case: -0.0001 (06:01:15)
[INFO] Main: Simulation completed successfully. (06:02:16)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.4182 | |
| 2 | K | A | -0.7866 | |
| 3 | L | A | 0.2920 | |
| 4 | K | A | -0.7816 | |
| 5 | L | A | 1.0375 | |
| 6 | N | A | 0.6019 | |
| 7 | V | A | 2.3182 | |
| 8 | L | A | 2.5470 | |
| 9 | T | A | 1.9717 | |
| 10 | I | A | 2.9970 | |
| 11 | I | A | 3.2164 | |
| 12 | L | A | 0.0000 | |
| 13 | L | A | 2.2109 | |
| 14 | P | A | 1.6203 | |
| 15 | V | A | 1.9090 | |
| 16 | H | A | 1.8257 | |
| 17 | L | A | 2.5386 | |
| 18 | L | A | 2.3058 | |
| 19 | I | A | 1.9581 | |
| 20 | T | A | 2.1090 | |
| 21 | I | A | 3.2448 | |
| 22 | Y | A | 2.9435 | |
| 23 | S | A | 2.5382 | |
| 24 | A | A | 2.5706 | |
| 25 | L | A | 3.4966 | |
| 26 | I | A | 3.4767 | |
| 27 | F | A | 3.4478 | |
| 28 | I | A | 3.8936 | |
| 29 | P | A | 2.9143 | |
| 30 | W | A | 2.6764 | |
| 31 | Y | A | 2.3890 | |
| 32 | F | A | 2.9919 | |
| 33 | L | A | 2.7756 | |
| 34 | T | A | 0.5660 | |
| 35 | N | A | -0.6085 | |
| 36 | A | A | 0.0000 | |
| 37 | K | A | -2.4281 | |
| 38 | K | A | -2.7590 | |
| 39 | K | A | -2.3284 | |
| 40 | N | A | -2.6085 | |
| 41 | A | A | -1.8540 | |
| 42 | M | A | -1.3397 | |
| 43 | A | A | -1.4690 | |
| 44 | K | A | -2.1974 | |
| 45 | R | A | -1.6167 | |
| 46 | I | A | -0.1108 | |
| 47 | K | A | 0.0000 | |
| 48 | A | A | 0.0000 | |
| 49 | K | A | -0.7378 | |
| 50 | P | A | -1.1792 | |
| 51 | T | A | -1.1206 | |
| 52 | S | A | -1.6808 | |
| 53 | D | A | -2.8353 | |
| 54 | K | A | -2.7799 | |
| 55 | P | A | -1.8308 | |
| 56 | G | A | -1.6512 | |
| 57 | S | A | 0.0000 | |
| 58 | P | A | -0.6133 | |
| 59 | Y | A | -0.3146 | |
| 60 | R | A | -0.5743 | |
| 61 | S | A | 0.0000 | |
| 62 | V | A | -0.0805 | |
| 63 | T | A | -0.2325 | |
| 64 | H | A | -0.6025 | |
| 65 | F | A | -0.6434 | |
| 66 | D | A | -1.7131 | |
| 67 | S | A | -0.9000 | |
| 68 | L | A | -0.2000 | |
| 69 | A | A | 0.1316 | |
| 70 | V | A | 0.6420 | |
| 71 | I | A | 0.7225 | |
| 72 | D | A | -0.4364 | |
| 73 | I | A | -0.1933 | |
| 74 | P | A | -0.4051 | |
| 75 | G | A | -0.8392 | |
| 76 | A | A | 0.0000 | |
| 77 | D | A | -0.7598 | |
| 78 | T | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | D | A | 0.0000 | |
| 81 | K | A | -1.6902 | |
| 82 | L | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | D | A | -1.2458 | |
| 85 | H | A | -1.1524 | |
| 86 | A | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | S | A | -1.3210 | |
| 89 | K | A | -2.1199 | |
| 90 | F | A | -1.6849 | |
| 91 | G | A | -1.9398 | |
| 92 | K | A | -2.7735 | |
| 93 | K | A | -2.7587 | |
| 94 | D | A | -2.2778 | |
| 95 | S | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | G | A | 0.0000 | |
| 98 | T | A | -0.7993 | |
| 99 | R | A | -0.6348 | |
| 100 | E | A | -0.2278 | |
| 101 | I | A | 1.6809 | |
| 102 | L | A | 1.6841 | |
| 103 | S | A | -0.0276 | |
| 104 | E | A | -2.3594 | |
| 105 | E | A | -2.8220 | |
| 106 | N | A | -2.5514 | |
| 107 | E | A | -1.8154 | |
| 108 | M | A | -0.4843 | |
| 109 | Q | A | -1.0297 | |
| 110 | P | A | -1.2447 | |
| 111 | N | A | -1.9550 | |
| 112 | G | A | -1.6181 | |
| 113 | K | A | -1.9861 | |
| 114 | V | A | -0.7095 | |
| 115 | F | A | -0.5359 | |
| 116 | K | A | -2.0414 | |
| 117 | K | A | -2.3487 | |
| 118 | L | A | 0.0000 | |
| 119 | I | A | -0.2993 | |
| 120 | L | A | 0.0000 | |
| 121 | G | A | -0.3629 | |
| 122 | N | A | -1.5451 | |
| 123 | Y | A | -1.2720 | |
| 124 | K | A | -2.1190 | |
| 125 | W | A | -1.2855 | |
| 126 | M | A | -1.1666 | |
| 127 | N | A | -1.7318 | |
| 128 | Y | A | 0.0000 | |
| 129 | L | A | -1.5937 | |
| 130 | E | A | -2.1811 | |
| 131 | V | A | 0.0000 | |
| 132 | N | A | -1.6433 | |
| 133 | R | A | -2.6027 | |
| 134 | R | A | -2.1457 | |
| 135 | V | A | 0.0000 | |
| 136 | N | A | -1.1156 | |
| 137 | N | A | -1.5124 | |
| 138 | F | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | S | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | T | A | -0.1618 | |
| 144 | A | A | -0.0725 | |
| 145 | L | A | 0.0480 | |
| 146 | G | A | -0.5205 | |
| 147 | L | A | 0.0000 | |
| 148 | K | A | -2.3601 | |
| 149 | P | A | -2.1230 | |
| 150 | K | A | -2.3951 | |
| 151 | N | A | -2.0750 | |
| 152 | T | A | 0.0000 | |
| 153 | I | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | I | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | C | A | 0.0000 | |
| 158 | E | A | -1.2295 | |
| 159 | T | A | -0.6687 | |
| 160 | R | A | -0.6773 | |
| 161 | A | A | 0.0000 | |
| 162 | E | A | -0.5225 | |
| 163 | W | A | 0.0000 | |
| 164 | M | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | A | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | Q | A | 0.0000 | |
| 169 | T | A | 0.0000 | |
| 170 | C | A | 0.0000 | |
| 171 | F | A | 0.0000 | |
| 172 | K | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | N | A | 0.0000 | |
| 175 | F | A | 0.0000 | |
| 176 | P | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | V | A | 0.0000 | |
| 179 | T | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | Y | A | 0.0000 | |
| 182 | A | A | -0.5729 | |
| 183 | T | A | -0.8703 | |
| 184 | L | A | 0.0000 | |
| 185 | G | A | -1.7587 | |
| 186 | K | A | -2.2839 | |
| 187 | E | A | -2.7861 | |
| 188 | A | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | V | A | -1.2930 | |
| 191 | H | A | -1.7444 | |
| 192 | G | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | N | A | -1.6331 | |
| 195 | E | A | -1.5283 | |
| 196 | S | A | 0.0000 | |
| 197 | E | A | -2.2246 | |
| 198 | A | A | 0.0000 | |
| 199 | S | A | -1.0137 | |
| 200 | Y | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | T | A | 0.0000 | |
| 204 | S | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | E | A | -2.6091 | |
| 207 | L | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | E | A | -2.8241 | |
| 210 | S | A | -1.8655 | |
| 211 | K | A | -1.6882 | |
| 212 | L | A | 0.0000 | |
| 213 | K | A | -1.5200 | |
| 214 | T | A | -0.8165 | |
| 215 | A | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | L | A | 0.2520 | |
| 218 | D | A | -1.4891 | |
| 219 | I | A | 0.0000 | |
| 220 | S | A | -0.9098 | |
| 221 | C | A | -1.2415 | |
| 222 | V | A | 0.0000 | |
| 223 | K | A | -1.5090 | |
| 224 | H | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | Y | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | D | A | -1.9206 | |
| 230 | N | A | -2.4357 | |
| 231 | K | A | -2.3408 | |
| 232 | A | A | -1.5294 | |
| 233 | I | A | -1.8738 | |
| 234 | N | A | -2.3636 | |
| 235 | K | A | -3.0973 | |
| 236 | A | A | -2.1065 | |
| 237 | E | A | -2.8610 | |
| 238 | Y | A | 0.0000 | |
| 239 | P | A | -1.3518 | |
| 240 | E | A | -2.3742 | |
| 241 | G | A | -1.6187 | |
| 242 | F | A | -1.6296 | |
| 243 | E | A | -2.1649 | |
| 244 | I | A | 0.0000 | |
| 245 | H | A | -0.8497 | |
| 246 | S | A | -1.2728 | |
| 247 | M | A | 0.0000 | |
| 248 | Q | A | -2.1224 | |
| 249 | S | A | -1.3239 | |
| 250 | V | A | 0.0000 | |
| 251 | E | A | -1.9203 | |
| 252 | E | A | -2.2918 | |
| 253 | L | A | -0.9944 | |
| 254 | G | A | 0.0000 | |
| 255 | S | A | -1.5285 | |
| 256 | N | A | -1.5178 | |
| 257 | P | A | -1.0637 | |
| 258 | E | A | -1.7505 | |
| 259 | N | A | -0.5681 | |
| 260 | L | A | 0.1142 | |
| 261 | G | A | -0.2038 | |
| 262 | I | A | 0.8917 | |
| 263 | P | A | 0.2073 | |
| 264 | P | A | -0.2597 | |
| 265 | S | A | -1.0546 | |
| 266 | R | A | -1.4193 | |
| 267 | P | A | -1.1018 | |
| 268 | T | A | -0.5129 | |
| 269 | P | A | -0.3876 | |
| 270 | S | A | -0.3550 | |
| 271 | D | A | 0.0000 | |
| 272 | M | A | -0.2792 | |
| 273 | A | A | 0.0000 | |
| 274 | I | A | 0.0000 | |
| 275 | V | A | 0.0000 | |
| 276 | M | A | 0.0000 | |
| 277 | Y | A | 0.0000 | |
| 278 | T | A | -0.3784 | |
| 279 | S | A | -0.7038 | |
| 280 | G | A | -0.8261 | |
| 281 | S | A | -1.2871 | |
| 282 | T | A | -1.0644 | |
| 283 | G | A | -1.3739 | |
| 284 | R | A | -2.1441 | |
| 285 | P | A | 0.0000 | |
| 286 | K | A | -1.1346 | |
| 287 | G | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | M | A | 0.1098 | |
| 290 | M | A | 0.0000 | |
| 291 | H | A | -0.2461 | |
| 292 | H | A | 0.0000 | |
| 293 | S | A | -0.2788 | |
| 294 | N | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | I | A | 0.0000 | |
| 297 | A | A | 0.0000 | |
| 298 | G | A | 0.0000 | |
| 299 | M | A | 0.0000 | |
| 300 | T | A | 0.0000 | |
| 301 | G | A | 0.0000 | |
| 302 | Q | A | -0.6281 | |
| 303 | C | A | 0.0000 | |
| 304 | E | A | -1.9657 | |
| 305 | R | A | 0.0000 | |
| 306 | I | A | -0.3555 | |
| 307 | P | A | -0.5747 | |
| 308 | G | A | -0.8543 | |
| 309 | L | A | -0.5529 | |
| 310 | G | A | 0.0000 | |
| 311 | P | A | -1.4095 | |
| 312 | K | A | -1.9352 | |
| 313 | D | A | 0.0000 | |
| 314 | T | A | 0.0000 | |
| 315 | Y | A | 0.0000 | |
| 316 | I | A | 0.0000 | |
| 317 | G | A | 0.0000 | |
| 318 | Y | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | P | A | -0.3757 | |
| 321 | L | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | H | A | -0.1226 | |
| 324 | V | A | 0.0000 | |
| 325 | L | A | 0.0000 | |
| 326 | E | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | T | A | 0.0000 | |
| 329 | A | A | 0.0168 | |
| 330 | E | A | 0.0000 | |
| 331 | I | A | 0.0000 | |
| 332 | S | A | 0.0000 | |
| 333 | C | A | 0.0000 | |
| 334 | F | A | 0.0000 | |
| 335 | T | A | 0.0000 | |
| 336 | Y | A | -0.2504 | |
| 337 | G | A | 0.0000 | |
| 338 | C | A | 0.0000 | |
| 339 | R | A | -1.4015 | |
| 340 | I | A | 0.0000 | |
| 341 | G | A | 0.0000 | |
| 342 | Y | A | 0.0000 | |
| 343 | S | A | -0.0603 | |
| 344 | S | A | -0.1084 | |
| 345 | P | A | 0.1047 | |
| 346 | L | A | 0.0940 | |
| 347 | T | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | S | A | -0.9026 | |
| 350 | D | A | -2.1591 | |
| 351 | Q | A | -2.3167 | |
| 352 | S | A | -1.3344 | |
| 353 | S | A | -1.0203 | |
| 354 | K | A | -1.5020 | |
| 355 | I | A | 0.0000 | |
| 356 | K | A | -3.0742 | |
| 357 | K | A | -2.9074 | |
| 358 | G | A | -2.0129 | |
| 359 | S | A | -1.9129 | |
| 360 | K | A | -2.2974 | |
| 361 | G | A | 0.0000 | |
| 362 | D | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | T | A | -0.7787 | |
| 365 | V | A | -0.6433 | |
| 366 | L | A | 0.0000 | |
| 367 | K | A | -1.3366 | |
| 368 | P | A | 0.0000 | |
| 369 | T | A | -1.1128 | |
| 370 | L | A | 0.0000 | |
| 371 | M | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | 0.0000 | |
| 376 | E | A | -0.8873 | |
| 377 | I | A | 0.0000 | |
| 378 | M | A | 0.0000 | |
| 379 | D | A | 0.0000 | |
| 380 | R | A | -1.5542 | |
| 381 | I | A | 0.0000 | |
| 382 | Y | A | -0.7517 | |
| 383 | K | A | -1.4323 | |
| 384 | N | A | -1.8242 | |
| 385 | V | A | 0.0000 | |
| 386 | M | A | -1.5145 | |
| 387 | S | A | -2.0613 | |
| 388 | K | A | -3.0216 | |
| 389 | V | A | 0.0000 | |
| 390 | Q | A | -2.7166 | |
| 391 | E | A | -3.1607 | |
| 392 | M | A | -1.9490 | |
| 393 | N | A | -1.0366 | |
| 394 | Y | A | 0.5556 | |
| 395 | I | A | 0.9719 | |
| 396 | Q | A | -0.8569 | |
| 397 | K | A | -1.3161 | |
| 398 | T | A | -0.0723 | |
| 399 | L | A | -0.0932 | |
| 400 | F | A | 0.0000 | |
| 401 | K | A | -1.2387 | |
| 402 | I | A | -0.6442 | |
| 403 | G | A | 0.0000 | |
| 404 | Y | A | -0.9803 | |
| 405 | D | A | -2.0946 | |
| 406 | Y | A | -1.2122 | |
| 407 | K | A | 0.0000 | |
| 408 | L | A | -1.9542 | |
| 409 | E | A | -3.0907 | |
| 410 | Q | A | -2.2312 | |
| 411 | I | A | 0.0000 | |
| 412 | K | A | -2.9699 | |
| 413 | K | A | -2.6783 | |
| 414 | G | A | -2.2861 | |
| 415 | Y | A | -1.4942 | |
| 416 | D | A | -0.9704 | |
| 417 | A | A | 0.0000 | |
| 418 | P | A | 0.6039 | |
| 419 | L | A | 1.1258 | |
| 420 | C | A | 0.0000 | |
| 421 | N | A | 0.1654 | |
| 422 | L | A | 1.1395 | |
| 423 | L | A | 1.5734 | |
| 424 | L | A | 0.3302 | |
| 425 | F | A | 0.0000 | |
| 426 | K | A | -1.6196 | |
| 427 | K | A | -1.8454 | |
| 428 | V | A | 0.0000 | |
| 429 | K | A | -1.3811 | |
| 430 | A | A | -1.3559 | |
| 431 | L | A | -0.7749 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | -1.0138 | |
| 434 | G | A | -1.6791 | |
| 435 | N | A | -1.7256 | |
| 436 | V | A | 0.0000 | |
| 437 | R | A | -0.8215 | |
| 438 | M | A | 0.0000 | |
| 439 | M | A | 0.0000 | |
| 440 | L | A | 0.2537 | |
| 441 | S | A | 0.0000 | |
| 442 | G | A | 0.0000 | |
| 443 | G | A | -0.2291 | |
| 444 | A | A | -0.3028 | |
| 445 | P | A | -0.5085 | |
| 446 | L | A | 0.0000 | |
| 447 | S | A | -0.7437 | |
| 448 | P | A | -0.8322 | |
| 449 | Q | A | -1.0395 | |
| 450 | T | A | 0.0000 | |
| 451 | H | A | 0.0000 | |
| 452 | R | A | -0.9557 | |
| 453 | F | A | 0.0000 | |
| 454 | M | A | 0.0000 | |
| 455 | N | A | 0.0000 | |
| 456 | V | A | 0.0000 | |
| 457 | C | A | 0.0000 | |
| 458 | F | A | 0.0000 | |
| 459 | C | A | -0.4034 | |
| 460 | C | A | 0.0000 | |
| 461 | P | A | 0.0117 | |
| 462 | I | A | 0.0000 | |
| 463 | G | A | 0.0000 | |
| 464 | Q | A | 0.0000 | |
| 465 | G | A | -0.0833 | |
| 466 | Y | A | 0.0320 | |
| 467 | G | A | -0.0016 | |
| 468 | L | A | 0.1832 | |
| 469 | T | A | 0.0800 | |
| 470 | E | A | 0.0000 | |
| 471 | S | A | 0.0000 | |
| 472 | C | A | 0.0000 | |
| 473 | G | A | 0.0000 | |
| 474 | A | A | -0.0222 | |
| 475 | G | A | 0.0000 | |
| 476 | T | A | 0.0000 | |
| 477 | V | A | 0.0000 | |
| 478 | T | A | 0.0000 | |
| 479 | E | A | -0.2185 | |
| 480 | V | A | 0.2787 | |
| 481 | T | A | -0.3914 | |
| 482 | D | A | 0.0000 | |
| 483 | Y | A | -0.2180 | |
| 484 | T | A | -0.3458 | |
| 485 | T | A | -0.4422 | |
| 486 | G | A | -0.4329 | |
| 487 | R | A | -0.2996 | |
| 488 | V | A | 0.0000 | |
| 489 | G | A | 0.0000 | |
| 490 | A | A | 0.0000 | |
| 491 | P | A | 0.0000 | |
| 492 | L | A | 0.0000 | |
| 493 | I | A | 0.0000 | |
| 494 | C | A | 0.0000 | |
| 495 | C | A | 0.0000 | |
| 496 | E | A | 0.0000 | |
| 497 | I | A | 0.0000 | |
| 498 | K | A | -0.8635 | |
| 499 | L | A | 0.0000 | |
| 500 | K | A | -2.1690 | |
| 501 | D | A | -3.1539 | |
| 502 | W | A | -2.3846 | |
| 503 | Q | A | -2.8070 | |
| 504 | E | A | -2.9140 | |
| 505 | G | A | -1.9389 | |
| 506 | G | A | -1.7591 | |
| 507 | Y | A | 0.0000 | |
| 508 | T | A | -2.0731 | |
| 509 | I | A | -1.6390 | |
| 510 | N | A | -2.1096 | |
| 511 | D | A | -2.1325 | |
| 512 | K | A | -2.3838 | |
| 513 | P | A | -1.7306 | |
| 514 | N | A | -1.4797 | |
| 515 | P | A | -1.6876 | |
| 516 | R | A | -1.6927 | |
| 517 | G | A | 0.0000 | |
| 518 | E | A | 0.0000 | |
| 519 | I | A | 0.0000 | |
| 520 | V | A | 0.0000 | |
| 521 | I | A | 0.0000 | |
| 522 | G | A | 0.0000 | |
| 523 | G | A | 0.0000 | |
| 524 | Q | A | -0.8672 | |
| 525 | N | A | 0.0000 | |
| 526 | I | A | 0.0000 | |
| 527 | S | A | 0.0000 | |
| 528 | M | A | 0.2133 | |
| 529 | G | A | 0.0000 | |
| 530 | Y | A | 0.0000 | |
| 531 | F | A | -1.1633 | |
| 532 | K | A | -2.7364 | |
| 533 | N | A | -3.0073 | |
| 534 | E | A | -3.8602 | |
| 535 | E | A | -3.9294 | |
| 536 | K | A | -3.2794 | |
| 537 | T | A | -2.5824 | |
| 538 | A | A | -2.1791 | |
| 539 | E | A | -2.9275 | |
| 540 | D | A | -1.5530 | |
| 541 | Y | A | 0.0000 | |
| 542 | S | A | 0.0163 | |
| 543 | V | A | 0.4517 | |
| 544 | D | A | -1.3541 | |
| 545 | E | A | -2.5483 | |
| 546 | N | A | -2.3646 | |
| 547 | G | A | -1.5125 | |
| 548 | Q | A | -1.1469 | |
| 549 | R | A | -0.4701 | |
| 550 | W | A | 0.0000 | |
| 551 | F | A | 0.0000 | |
| 552 | C | A | -0.4670 | |
| 553 | T | A | 0.0000 | |
| 554 | G | A | -0.7722 | |
| 555 | D | A | 0.0000 | |
| 556 | I | A | 0.0000 | |
| 557 | G | A | 0.0000 | |
| 558 | E | A | -0.5115 | |
| 559 | F | A | 0.0000 | |
| 560 | H | A | -0.5915 | |
| 561 | P | A | -0.5699 | |
| 562 | D | A | -0.6744 | |
| 563 | G | A | 0.0000 | |
| 564 | C | A | 0.0000 | |
| 565 | L | A | 0.0000 | |
| 566 | Q | A | -0.2607 | |
| 567 | I | A | 0.0430 | |
| 568 | I | A | -0.1297 | |
| 569 | D | A | -0.9472 | |
| 570 | R | A | -1.5946 | |
| 571 | K | A | -1.9169 | |
| 572 | K | A | -2.2705 | |
| 573 | D | A | -1.6473 | |
| 574 | L | A | -1.1190 | |
| 575 | V | A | 0.0000 | |
| 576 | K | A | -2.1401 | |
| 577 | L | A | 0.0000 | |
| 578 | Q | A | -2.5095 | |
| 579 | A | A | -1.2167 | |
| 580 | G | A | -1.3480 | |
| 581 | E | A | -1.0960 | |
| 582 | Y | A | -0.5563 | |
| 583 | V | A | 0.0000 | |
| 584 | S | A | 0.0000 | |
| 585 | L | A | 0.0000 | |
| 586 | G | A | -0.8620 | |
| 587 | K | A | -1.1937 | |
| 588 | V | A | 0.0000 | |
| 589 | E | A | 0.0000 | |
| 590 | A | A | -0.6505 | |
| 591 | A | A | -0.6551 | |
| 592 | L | A | 0.0000 | |
| 593 | K | A | -0.7578 | |
| 594 | N | A | -0.8394 | |
| 595 | C | A | 0.0000 | |
| 596 | P | A | -0.6437 | |
| 597 | L | A | 0.0000 | |
| 598 | I | A | 0.0000 | |
| 599 | D | A | -1.5375 | |
| 600 | N | A | -0.7969 | |
| 601 | I | A | 0.0000 | |
| 602 | C | A | 0.0000 | |
| 603 | A | A | 0.0000 | |
| 604 | F | A | -0.1823 | |
| 605 | A | A | -0.7824 | |
| 606 | K | A | -1.9136 | |
| 607 | S | A | -2.3463 | |
| 608 | D | A | -2.8644 | |
| 609 | Q | A | -1.9661 | |
| 610 | S | A | -1.3252 | |
| 611 | Y | A | -0.5600 | |
| 612 | V | A | 0.0000 | |
| 613 | I | A | 0.0000 | |
| 614 | S | A | 0.0000 | |
| 615 | F | A | 0.0000 | |
| 616 | V | A | 0.0000 | |
| 617 | V | A | 0.0000 | |
| 618 | P | A | 0.0000 | |
| 619 | N | A | -1.7982 | |
| 620 | Q | A | -2.1637 | |
| 621 | K | A | -2.1387 | |
| 622 | R | A | -1.1586 | |
| 623 | L | A | 0.0000 | |
| 624 | T | A | -1.0163 | |
| 625 | L | A | 0.1032 | |
| 626 | L | A | -0.5819 | |
| 627 | A | A | 0.0000 | |
| 628 | Q | A | -2.0109 | |
| 629 | Q | A | -1.8403 | |
| 630 | K | A | -2.0840 | |
| 631 | G | A | -2.0888 | |
| 632 | V | A | -1.8766 | |
| 633 | E | A | -2.6929 | |
| 634 | G | A | -1.7343 | |
| 635 | T | A | -0.5937 | |
| 636 | W | A | -0.2553 | |
| 637 | V | A | 0.4430 | |
| 638 | D | A | -1.3467 | |
| 639 | I | A | 0.0000 | |
| 640 | C | A | 0.0000 | |
| 641 | N | A | -1.1360 | |
| 642 | N | A | -1.2208 | |
| 643 | P | A | -0.8632 | |
| 644 | A | A | -0.5497 | |
| 645 | M | A | 0.0000 | |
| 646 | E | A | -0.9577 | |
| 647 | A | A | -0.8309 | |
| 648 | E | A | -1.3463 | |
| 649 | I | A | 0.0000 | |
| 650 | L | A | -1.3512 | |
| 651 | K | A | -2.5719 | |
| 652 | E | A | -2.2110 | |
| 653 | I | A | 0.0000 | |
| 654 | R | A | -2.2928 | |
| 655 | E | A | -2.9058 | |
| 656 | A | A | -1.7059 | |
| 657 | A | A | 0.0000 | |
| 658 | N | A | -2.3446 | |
| 659 | A | A | -1.0053 | |
| 660 | M | A | -0.8559 | |
| 661 | K | A | -2.4778 | |
| 662 | L | A | 0.0000 | |
| 663 | E | A | -3.0375 | |
| 664 | R | A | -2.7570 | |
| 665 | F | A | -0.9770 | |
| 666 | E | A | 0.0000 | |
| 667 | I | A | 0.0000 | |
| 668 | P | A | 0.0000 | |
| 669 | I | A | 0.2259 | |
| 670 | K | A | -0.3566 | |
| 671 | V | A | 0.0000 | |
| 672 | R | A | -0.7745 | |
| 673 | L | A | 0.0000 | |
| 674 | S | A | 0.0000 | |
| 675 | P | A | -0.4536 | |
| 676 | E | A | -0.7570 | |
| 677 | P | A | -0.9241 | |
| 678 | W | A | 0.0000 | |
| 679 | T | A | -0.8127 | |
| 680 | P | A | -1.0420 | |
| 681 | E | A | -1.9957 | |
| 682 | T | A | -1.2487 | |
| 683 | G | A | -1.0532 | |
| 684 | L | A | 0.0000 | |
| 685 | V | A | 0.0000 | |
| 686 | T | A | 0.0000 | |
| 687 | D | A | 0.0000 | |
| 688 | A | A | 0.0000 | |
| 689 | F | A | 0.0709 | |
| 690 | K | A | -0.6478 | |
| 691 | L | A | -0.5305 | |
| 692 | K | A | -1.1348 | |
| 693 | R | A | -1.5336 | |
| 694 | K | A | -2.0931 | |
| 695 | E | A | -1.8131 | |
| 696 | L | A | 0.0000 | |
| 697 | R | A | -1.9821 | |
| 698 | N | A | -1.7534 | |
| 699 | H | A | -1.6248 | |
| 700 | Y | A | 0.0000 | |
| 701 | L | A | -1.5994 | |
| 702 | K | A | -2.8161 | |
| 703 | D | A | -2.2737 | |
| 704 | I | A | 0.0000 | |
| 705 | E | A | -3.4565 | |
| 706 | R | A | -3.1607 | |
| 707 | M | A | 0.0000 | |
| 708 | Y | A | -1.8475 | |
| 709 | G | A | -2.0285 | |
| 710 | G | A | -2.7921 | |
| 711 | K | A | -2.4620 |
Automated mutations analysis
In the automated mutations mode, the server selects aggregation prone resides
and each selected residue is mutated to glutamic acid, lysine, aspartic acid and arginine.
The table below shows 2 best scored mutants for each mutated residue. Protein variants
are ordered according to the mutation effect they had on protein stability
(energetic effect) together with the difference in the average per-residue aggregation score
between the wild type and the mutant (in the table green values indicate a positive change,
grey are neutral, and orange/red mean destabilizing or more aggregation prone mutants).
Summary for all the mutants can be found in this
CSV file.
Mutant |
Energetic effect |
Score comparison |
|||
| IR26A | -1.2475 | -0.0181 | View | CSV | PDB |
| IR28A | -0.6963 | -0.0239 | View | CSV | PDB |
| VD7A | -0.9268 | -0.0187 | View | CSV | PDB |
| TK20A | -1.0891 | -0.0157 | View | CSV | PDB |
| VK7A | -0.6932 | -0.0184 | View | CSV | PDB |
| TE20A | -0.6182 | -0.0195 | View | CSV | PDB |
| IK28A | -0.3918 | -0.023 | View | CSV | PDB |
| LK33A | -0.5526 | -0.0192 | View | CSV | PDB |
| FR32A | -0.1287 | -0.0278 | View | CSV | PDB |
| LR33A | -0.2939 | -0.0217 | View | CSV | PDB |
| FE32A | -0.0798 | -0.0283 | View | CSV | PDB |
| LR25A | -0.1127 | -0.0243 | View | CSV | PDB |
| IK11A | -0.2401 | -0.02 | View | CSV | PDB |
| AR24A | -0.3823 | -0.0164 | View | CSV | PDB |
| SR23A | -1.8027 | -0.006 | View | CSV | PDB |
| LR17A | -0.1033 | -0.0225 | View | CSV | PDB |
| IR11A | -0.0125 | -0.0257 | View | CSV | PDB |
| TR9A | -0.8824 | -0.0085 | View | CSV | PDB |
| SE23A | -1.2903 | -0.0056 | View | CSV | PDB |
| IK26A | -0.093 | -0.0168 | View | CSV | PDB |
| AK24A | -0.2693 | -0.0122 | View | CSV | PDB |
| TK9A | -0.9706 | -0.0054 | View | CSV | PDB |
| YK31A | -0.0756 | -0.0101 | View | CSV | PDB |
| HK16A | -0.5419 | -0.0045 | View | CSV | PDB |
| LK17A | 0.0389 | -0.0229 | View | CSV | PDB |
| HR16A | -1.1965 | -0.0001 | View | CSV | PDB |
| LR13A | 0.1497 | -0.0199 | View | CSV | PDB |
| VK15A | 0.077 | -0.0101 | View | CSV | PDB |
| LR18A | 0.1406 | -0.0184 | View | CSV | PDB |
| IR10A | 0.2003 | -0.0189 | View | CSV | PDB |
| IK10A | 0.1825 | -0.0143 | View | CSV | PDB |
| LK25A | 0.2692 | -0.0199 | View | CSV | PDB |
| VR15A | 0.2652 | -0.016 | View | CSV | PDB |
| LK13A | 0.243 | -0.0116 | View | CSV | PDB |
| IR21A | 0.4457 | -0.0212 | View | CSV | PDB |
| YR31A | 0.2937 | -0.0127 | View | CSV | PDB |
| IK21A | 0.5761 | -0.0181 | View | CSV | PDB |
| LE18A | 1.1101 | -0.0231 | View | CSV | PDB |
| FR27A | 0.7685 | -0.0157 | View | CSV | PDB |
| YR22A | 1.1121 | -0.0133 | View | CSV | PDB |
| LR8A | 1.0853 | -0.0118 | View | CSV | PDB |
| WR30A | 2.2144 | -0.0237 | View | CSV | PDB |
| WK30A | 2.0021 | -0.0201 | View | CSV | PDB |
| PR29A | 1.4522 | -0.0138 | View | CSV | PDB |
| YK22A | 0.8795 | -0.0078 | View | CSV | PDB |
| FK27A | 1.1567 | -0.0097 | View | CSV | PDB |
| LK8A | 1.1266 | -0.0094 | View | CSV | PDB |
| PE29A | 1.8231 | -0.0149 | View | CSV | PDB |
| IR19A | 2.0063 | -0.0066 | View | CSV | PDB |
| IE19A | 2.3686 | -0.005 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine