Project name: d8b793c8063dc6e

Status: done

Started: 2026-05-21 14:35:04
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Chain sequence(s) A: FFGHKGG
C: FFGHKGG
B: FFGHKGG
E: FFGHKGG
D: FFGHKGG
G: FFGHKGG
F: FFGHKGG
I: FFGHKGG
H: FFGHKGG
K: FFGHKGG
J: FFGHKGG
M: FFGHKGG
L: FFGHKGG
O: FFGHKGG
N: FFGHKGG
Q: FFGHKGG
P: FFGHKGG
S: FFGHKGG
R: FFGHKGG
T: FFGHKGG
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,S,R,T
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:39)
Show buried residues

Minimal score value
-2.5839
Maximal score value
3.2209
Average score
0.0299
Total score value
4.182

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
mutation
1 F A 1.3371
2 F A 1.9253
3 G A 0.0000
4 H A -0.8996
5 K A -1.5730
6 G A -1.7647
7 G A -1.5217
1 F B 2.5050
2 F B 2.9366
3 G B 0.6728
4 H B -1.6368
5 K B -2.5839
6 G B -2.4396
7 G B -2.0101
1 F C 2.9669
2 F C 2.8608
3 G C 0.0000
4 H C 0.0000
5 K C -1.5696
6 G C -1.5978
7 G C -1.4655
1 F D 2.3728
2 F D 2.1925
3 G D 0.0000
4 H D 0.0000
5 K D -1.5358
6 G D -1.7004
7 G D -1.2873
1 F E 1.7432
2 F E 1.5859
3 G E 0.0000
4 H E 0.0000
5 K E -1.4898
6 G E -1.3469
7 G E -1.0827
1 F F 2.2971
2 F F 1.6135
3 G F 0.0000
4 H F 0.0000
5 K F -1.0964
6 G F -1.2987
7 G F -1.2275
1 F G 1.7201
2 F G 1.3903
3 G G 0.0000
4 H G 0.0000
5 K G -1.2225
6 G G -1.3725
7 G G -1.1259
1 F H 1.7429
2 F H 1.2959
3 G H 0.0000
4 H H 0.0000
5 K H -1.4470
6 G H -1.4991
7 G H -0.9719
1 F I 2.3555
2 F I 2.0233
3 G I 0.0000
4 H I 0.0000
5 K I -2.1193
6 G I -1.9507
7 G I -1.3502
1 F J 2.7885
2 F J 2.2035
3 G J 0.0000
4 H J 0.0000
5 K J -2.1224
6 G J -2.0127
7 G J -1.2114
1 F K 3.2209
2 F K 3.1278
3 G K 0.5046
4 H K -1.0702
5 K K -1.5625
6 G K -1.8691
7 G K -1.2981
1 F L 3.0633
2 F L 2.6777
3 G L 0.0000
4 H L 0.0000
5 K L -1.5185
6 G L -1.8181
7 G L -1.3635
1 F M 3.0728
2 F M 2.6304
3 G M 0.0000
4 H M 0.0000
5 K M -1.0611
6 G M -1.4823
7 G M -1.2814
1 F N 3.1049
2 F N 3.0912
3 G N 0.0000
4 H N 0.0000
5 K N -0.9004
6 G N -1.4099
7 G N -1.2618
1 F O 3.0412
2 F O 2.9693
3 G O 0.0000
4 H O 0.0000
5 K O -1.0175
6 G O -1.3777
7 G O -1.2170
1 F P 3.2171
2 F P 2.4171
3 G P 0.0000
4 H P 0.0000
5 K P -1.2889
6 G P -1.4865
7 G P -1.1745
1 F Q 2.5321
2 F Q 2.2142
3 G Q 0.0000
4 H Q 0.0000
5 K Q -1.3445
6 G Q -1.4740
7 G Q -1.1714
1 F R 2.1179
2 F R 2.1847
3 G R 0.0000
4 H R 0.0000
5 K R -1.2565
6 G R -1.4749
7 G R -0.9768
1 F S 1.7202
2 F S 0.9148
3 G S 0.0000
4 H S 0.0000
5 K S -0.8195
6 G S -0.8283
7 G S -0.3565
1 F T 2.9934
2 F T 2.9709
3 G T 0.3544
4 H T -1.5302
5 K T -2.5473
6 G T -2.1210
7 G T -1.5951
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Laboratory of Theory of Biopolymers 2018