Project name: ltb??

Status: done

Started: 2026-05-11 04:59:36
Settings
Chain sequence(s) A: MNKVKCYVLFTALLSSLYAHGAPQTITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGETFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMKN
C: MNKVKCYVLFTALLSSLYAHGAPQTITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGETFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMKN
B: MNKVKCYVLFTALLSSLYAHGAPQTITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGETFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMKN
E: MNKVKCYVLFTALLSSLYAHGAPQTITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGETFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMKN
D: MNKVKCYVLFTALLSSLYAHGAPQTITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGETFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMKN
input PDB
Selected Chain(s) A,C,B,E,D
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]                                                (00:00:00)
[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                                          (00:14:07)
[INFO]       Auto_mut: Residue number 9 from chain E and a score of 3.891 (leucine) selected for   
                       automated muatation                                                         (00:14:13)
[INFO]       Auto_mut: Residue number 9 from chain B and a score of 3.890 (leucine) selected for   
                       automated muatation                                                         (00:14:13)
[INFO]       Auto_mut: Residue number 9 from chain C and a score of 3.888 (leucine) selected for   
                       automated muatation                                                         (00:14:13)
[INFO]       Auto_mut: Residue number 9 from chain D and a score of 3.825 (leucine) selected for   
                       automated muatation                                                         (00:14:13)
[INFO]       Auto_mut: Residue number 9 from chain A and a score of 3.776 (leucine) selected for   
                       automated muatation                                                         (00:14:13)
[INFO]       Auto_mut: Residue number 8 from chain B and a score of 3.766 (valine) selected for    
                       automated muatation                                                         (00:14:13)
[INFO]       Auto_mut: Mutating residue number 9 from chain E (leucine) into glutamic acid         (00:14:13)
[INFO]       Auto_mut: Mutating residue number 9 from chain B (leucine) into glutamic acid         (00:14:13)
[INFO]       Auto_mut: Mutating residue number 9 from chain E (leucine) into aspartic acid         (00:14:13)
[INFO]       Auto_mut: Mutating residue number 9 from chain E (leucine) into arginine              (00:19:36)
[INFO]       Auto_mut: Mutating residue number 9 from chain E (leucine) into lysine                (00:19:42)
[INFO]       Auto_mut: Mutating residue number 9 from chain B (leucine) into lysine                (00:19:43)
[INFO]       Auto_mut: Mutating residue number 9 from chain B (leucine) into aspartic acid         (00:24:55)
[INFO]       Auto_mut: Mutating residue number 9 from chain C (leucine) into glutamic acid         (00:25:11)
[INFO]       Auto_mut: Mutating residue number 9 from chain C (leucine) into aspartic acid         (00:25:50)
[INFO]       Auto_mut: Mutating residue number 9 from chain B (leucine) into arginine              (00:30:20)
[INFO]       Auto_mut: Mutating residue number 9 from chain C (leucine) into lysine                (00:30:44)
[INFO]       Auto_mut: Mutating residue number 9 from chain C (leucine) into arginine              (00:31:22)
[INFO]       Auto_mut: Mutating residue number 9 from chain D (leucine) into glutamic acid         (00:35:49)
[INFO]       Auto_mut: Mutating residue number 9 from chain D (leucine) into aspartic acid         (00:36:24)
[INFO]       Auto_mut: Mutating residue number 9 from chain A (leucine) into glutamic acid         (00:37:06)
[INFO]       Auto_mut: Mutating residue number 9 from chain D (leucine) into lysine                (00:41:25)
[INFO]       Auto_mut: Mutating residue number 9 from chain D (leucine) into arginine              (00:42:00)
[INFO]       Auto_mut: Mutating residue number 9 from chain A (leucine) into lysine                (00:42:41)
[INFO]       Auto_mut: Mutating residue number 9 from chain A (leucine) into aspartic acid         (00:47:03)
[INFO]       Auto_mut: Mutating residue number 8 from chain B (valine) into glutamic acid          (00:47:38)
[INFO]       Auto_mut: Mutating residue number 8 from chain B (valine) into aspartic acid          (00:48:20)
[INFO]       Auto_mut: Mutating residue number 9 from chain A (leucine) into arginine              (00:52:43)
[INFO]       Auto_mut: Mutating residue number 8 from chain B (valine) into lysine                 (00:53:26)
[INFO]       Auto_mut: Mutating residue number 8 from chain B (valine) into arginine               (00:54:29)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain E (leucine) into glutamic    
                       acid: Energy difference: -0.4612 kcal/mol, Difference in average score from 
                       the base case: -0.0102                                                      (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain E (leucine) into lysine:     
                       Energy difference: -0.1374 kcal/mol, Difference in average score from the   
                       base case: -0.0071                                                          (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain E (leucine) into aspartic    
                       acid: Energy difference: -0.5815 kcal/mol, Difference in average score from 
                       the base case: -0.0101                                                      (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain E (leucine) into arginine:   
                       Energy difference: -0.1535 kcal/mol, Difference in average score from the   
                       base case: -0.0103                                                          (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain B (leucine) into glutamic    
                       acid: Energy difference: -0.3704 kcal/mol, Difference in average score from 
                       the base case: -0.0088                                                      (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain B (leucine) into lysine:     
                       Energy difference: -0.5890 kcal/mol, Difference in average score from the   
                       base case: -0.0097                                                          (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain B (leucine) into aspartic    
                       acid: Energy difference: -0.4671 kcal/mol, Difference in average score from 
                       the base case: -0.0114                                                      (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain B (leucine) into arginine:   
                       Energy difference: 0.7007 kcal/mol, Difference in average score from the    
                       base case: -0.0102                                                          (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain C (leucine) into glutamic    
                       acid: Energy difference: -0.2367 kcal/mol, Difference in average score from 
                       the base case: -0.0102                                                      (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain C (leucine) into lysine:     
                       Energy difference: -0.2872 kcal/mol, Difference in average score from the   
                       base case: -0.0096                                                          (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain C (leucine) into aspartic    
                       acid: Energy difference: -0.5624 kcal/mol, Difference in average score from 
                       the base case: -0.0093                                                      (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain C (leucine) into arginine:   
                       Energy difference: -0.6043 kcal/mol, Difference in average score from the   
                       base case: -0.0103                                                          (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain D (leucine) into glutamic    
                       acid: Energy difference: -0.4472 kcal/mol, Difference in average score from 
                       the base case: -0.0102                                                      (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain D (leucine) into lysine:     
                       Energy difference: -0.6324 kcal/mol, Difference in average score from the   
                       base case: -0.0076                                                          (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain D (leucine) into aspartic    
                       acid: Energy difference: -0.5912 kcal/mol, Difference in average score from 
                       the base case: -0.0072                                                      (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain D (leucine) into arginine:   
                       Energy difference: 0.6947 kcal/mol, Difference in average score from the    
                       base case: -0.0100                                                          (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain A (leucine) into glutamic    
                       acid: Energy difference: -0.3761 kcal/mol, Difference in average score from 
                       the base case: -0.0094                                                      (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain A (leucine) into lysine:     
                       Energy difference: -0.2713 kcal/mol, Difference in average score from the   
                       base case: -0.0084                                                          (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain A (leucine) into aspartic    
                       acid: Energy difference: -0.5364 kcal/mol, Difference in average score from 
                       the base case: -0.0060                                                      (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 9 from chain A (leucine) into arginine:   
                       Energy difference: 0.8913 kcal/mol, Difference in average score from the    
                       base case: -0.0112                                                          (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 8 from chain B (valine) into glutamic     
                       acid: Energy difference: 1.3045 kcal/mol, Difference in average score from  
                       the base case: -0.0097                                                      (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 8 from chain B (valine) into lysine:      
                       Energy difference: -0.2065 kcal/mol, Difference in average score from the   
                       base case: -0.0052                                                          (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 8 from chain B (valine) into aspartic     
                       acid: Energy difference: -0.2471 kcal/mol, Difference in average score from 
                       the base case: -0.0101                                                      (01:00:46)
[INFO]       Auto_mut: Effect of mutation residue number 8 from chain B (valine) into arginine:    
                       Energy difference: -0.8316 kcal/mol, Difference in average score from the   
                       base case: -0.0113                                                          (01:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (01:00:55)
Show buried residues
Minimal score value
-3.473
Maximal score value
3.8913
Average score
-0.4463
Total score value
-276.7272
Download the table (csv)

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 M A 0.2241
2 N A -1.2865
3 K A -1.5645
4 V A 0.2739
5 K A -0.5330
6 C A 1.5506
7 Y A 2.9602
8 V A 3.5402
9 L A 3.7765
10 F A 3.5902
11 T A 2.3419
12 A A 2.0782
13 L A 2.5090
14 L A 2.4171
15 S A 1.6717
16 S A 1.6738
17 L A 2.1390
18 Y A 1.6292
19 A A 0.4894
20 H A -0.5196
21 G A -1.0553
22 A A -0.8979
23 P A 0.0000
24 Q A -1.0858
25 T A -0.8371
26 I A 0.0000
27 T A -0.9901
28 E A -1.8900
29 L A 0.0000
30 C A 0.0000
31 S A -1.6692
32 E A -2.0788
33 Y A -1.6891
34 R A -2.6093
35 N A -2.1533
36 T A -1.5675
37 Q A -0.6531
38 I A 0.3447
39 Y A 0.1431
40 T A -0.3032
41 I A -1.2463
42 N A -2.2968
43 D A -2.6137
44 K A -2.7713
45 I A 0.0000
46 L A -1.6592
47 S A 0.0000
48 Y A 0.0000
49 T A 0.0000
50 E A 0.0000
51 S A 0.0000
52 M A 0.0000
53 A A 0.0000
54 G A -1.2318
55 K A -1.9244
56 R A -1.2164
57 E A 0.0000
58 M A 0.0000
59 V A 0.0000
60 I A 0.0000
61 I A 0.0000
62 T A -0.9466
63 F A 0.0000
64 K A -2.2946
65 S A -1.4255
66 G A -1.3816
67 E A -1.1296
68 T A -0.7721
69 F A 0.0000
70 Q A 0.0000
71 V A 0.0000
72 E A 0.0000
73 V A -0.4516
74 P A -1.0463
75 G A -1.1120
76 S A -0.7829
77 Q A -1.0486
78 H A -0.9180
79 I A -0.6955
80 D A -2.4102
81 S A -1.9073
82 Q A 0.0000
83 K A -2.9803
84 K A -2.8344
85 A A 0.0000
86 I A 0.0000
87 E A -1.5966
88 R A 0.0000
89 M A 0.0000
90 K A 0.0000
91 D A -0.7395
92 T A 0.0000
93 L A 0.0000
94 R A -0.2271
95 I A 0.1393
96 T A 0.0000
97 Y A 0.0000
98 L A -0.7009
99 T A -0.8810
100 E A -2.2715
101 T A -2.2468
102 K A -3.4730
103 I A 0.0000
104 D A -1.9997
105 K A -0.8689
106 L A 0.0000
107 C A 0.0000
108 V A 0.0000
109 W A -1.3328
110 N A -2.0219
111 N A -2.3428
112 K A -1.7547
113 T A -1.1804
114 P A 0.0000
115 N A -1.1734
116 S A 0.0000
117 I A 0.0000
118 A A 0.0000
119 A A 0.0000
120 I A 0.0000
121 S A 0.0000
122 M A 0.0000
123 K A -2.5675
124 N A -2.6595
1 M B 0.2263
2 N B -1.2827
3 K B -1.5673
4 V B 0.2751
5 K B -0.4968
6 C B 1.6362
7 Y B 3.0753
8 V B 3.7658
9 L B 3.8898
10 F B 3.6589
11 T B 2.3755
12 A B 2.0622
13 L B 2.5002
14 L B 2.4141
15 S B 1.6801
16 S B 1.6825
17 L B 2.1413
18 Y B 1.6337
19 A B 0.5101
20 H B -0.4775
21 G B -0.9518
22 A B -0.7533
23 P B 0.0000
24 Q B -0.7738
25 T B -0.6127
26 I B 0.0000
27 T B -0.8008
28 E B -1.5008
29 L B 0.0000
30 C B 0.0000
31 S B -1.5786
32 E B -2.0596
33 Y B -1.6686
34 R B -2.5748
35 N B -2.0574
36 T B -1.5323
37 Q B -0.6524
38 I B 0.3253
39 Y B 0.1593
40 T B -0.2201
41 I B -1.0660
42 N B -2.0831
43 D B -2.2527
44 K B -2.4623
45 I B 0.0000
46 L B -1.6425
47 S B -1.1682
48 Y B 0.0000
49 T B 0.0000
50 E B 0.0000
51 S B 0.0000
52 M B 0.0000
53 A B 0.0000
54 G B -1.2222
55 K B -1.8955
56 R B -1.2253
57 E B 0.0000
58 M B 0.0000
59 V B 0.0000
60 I B 0.0000
61 I B 0.0000
62 T B -0.9535
63 F B 0.0000
64 K B -2.2276
65 S B -1.4019
66 G B -1.3930
67 E B -1.1433
68 T B -0.8135
69 F B 0.0000
70 Q B 0.0000
71 V B 0.0000
72 E B 0.0000
73 V B -0.4771
74 P B -1.0375
75 G B -1.1432
76 S B -0.8483
77 Q B -1.1662
78 H B -1.0305
79 I B -0.8609
80 D B -2.4976
81 S B -1.9614
82 Q B 0.0000
83 K B -3.0238
84 K B -2.8974
85 A B 0.0000
86 I B 0.0000
87 E B -1.5525
88 R B 0.0000
89 M B 0.0000
90 K B 0.0000
91 D B -0.7124
92 T B 0.0000
93 L B 0.0000
94 R B -0.2565
95 I B 0.0963
96 T B 0.0000
97 Y B 0.0000
98 L B -0.7474
99 T B -0.9934
100 E B -2.4679
101 T B -2.2553
102 K B -3.2996
103 I B 0.0000
104 D B 0.0000
105 K B -0.7350
106 L B 0.0000
107 C B 0.0000
108 V B 0.0000
109 W B -1.2889
110 N B -1.9373
111 N B -2.3144
112 K B -1.7971
113 T B -1.2296
114 P B 0.0000
115 N B -1.1850
116 S B 0.0000
117 I B 0.0000
118 A B 0.0000
119 A B 0.0000
120 I B 0.0000
121 S B 0.0000
122 M B 0.0000
123 K B -2.5275
124 N B -2.6199
1 M C 0.2304
2 N C -1.2839
3 K C -1.5693
4 V C 0.2740
5 K C -0.5000
6 C C 1.6203
7 Y C 3.0623
8 V C 3.7506
9 L C 3.8877
10 F C 3.6519
11 T C 2.3926
12 A C 2.0668
13 L C 2.5099
14 L C 2.4194
15 S C 1.6874
16 S C 1.6726
17 L C 2.1423
18 Y C 1.6289
19 A C 0.5032
20 H C -0.5155
21 G C -1.0508
22 A C -0.8626
23 P C 0.0000
24 Q C -1.0717
25 T C -0.7753
26 I C 0.0000
27 T C -0.8870
28 E C -1.6641
29 L C 0.0000
30 C C 0.0000
31 S C -1.6018
32 E C -2.0878
33 Y C -1.6561
34 R C -2.5274
35 N C -1.9458
36 T C -1.4797
37 Q C -0.6308
38 I C 0.3275
39 Y C 0.1701
40 T C -0.2054
41 I C -1.0176
42 N C -1.9994
43 D C -2.1186
44 K C -2.3549
45 I C 0.0000
46 L C -1.5580
47 S C -1.1220
48 Y C 0.0000
49 T C 0.0000
50 E C 0.0000
51 S C 0.0000
52 M C 0.0000
53 A C 0.0000
54 G C -1.2634
55 K C -1.9032
56 R C -1.2167
57 E C 0.0000
58 M C 0.0000
59 V C 0.0000
60 I C 0.0000
61 I C 0.0000
62 T C -0.8998
63 F C 0.0000
64 K C -2.1915
65 S C -1.3774
66 G C -1.3719
67 E C -1.1155
68 T C -0.7457
69 F C 0.0000
70 Q C 0.0000
71 V C 0.0000
72 E C 0.0000
73 V C -0.3976
74 P C -0.9697
75 G C -1.0667
76 S C -0.7613
77 Q C -0.9933
78 H C -0.9439
79 I C -0.8630
80 D C -2.4639
81 S C -1.9254
82 Q C 0.0000
83 K C -2.9174
84 K C -2.6735
85 A C 0.0000
86 I C 0.0000
87 E C -1.5115
88 R C 0.0000
89 M C 0.0000
90 K C 0.0000
91 D C -0.7350
92 T C 0.0000
93 L C 0.0000
94 R C -0.2538
95 I C 0.1194
96 T C 0.0000
97 Y C 0.0000
98 L C -0.7510
99 T C -0.9549
100 E C -2.3796
101 T C -2.1623
102 K C -3.1287
103 I C 0.0000
104 D C 0.0000
105 K C -0.7055
106 L C 0.0000
107 C C 0.0000
108 V C 0.0000
109 W C -1.2503
110 N C -1.9003
111 N C -2.2471
112 K C -1.6861
113 T C -1.1357
114 P C 0.0000
115 N C -1.1284
116 S C 0.0000
117 I C 0.0000
118 A C 0.0000
119 A C 0.0000
120 I C 0.0000
121 S C 0.0000
122 M C 0.0000
123 K C -2.5034
124 N C -2.6038
1 M D 0.2277
2 N D -1.2779
3 K D -1.5646
4 V D 0.2721
5 K D -0.5148
6 C D 1.5977
7 Y D 3.0041
8 V D 3.6250
9 L D 3.8249
10 F D 3.6241
11 T D 2.3709
12 A D 2.0759
13 L D 2.5124
14 L D 2.4205
15 S D 1.6793
16 S D 1.6632
17 L D 2.1419
18 Y D 1.6326
19 A D 0.4920
20 H D -0.5211
21 G D -1.0459
22 A D -0.8755
23 P D 0.0000
24 Q D -1.0478
25 T D -0.7980
26 I D 0.0000
27 T D -0.9412
28 E D -1.7877
29 L D 0.0000
30 C D 0.0000
31 S D -1.6283
32 E D -2.0474
33 Y D -1.6601
34 R D -2.5753
35 N D -2.0854
36 T D -1.5354
37 Q D -0.6532
38 I D 0.3294
39 Y D 0.1720
40 T D -0.2088
41 I D -1.0432
42 N D -2.0575
43 D D -2.1887
44 K D -2.4092
45 I D 0.0000
46 L D -1.5637
47 S D -1.1207
48 Y D 0.0000
49 T D 0.0000
50 E D 0.0000
51 S D 0.0000
52 M D 0.0000
53 A D 0.0000
54 G D -1.2525
55 K D -1.9136
56 R D -1.2203
57 E D 0.0000
58 M D 0.0000
59 V D 0.0000
60 I D 0.0000
61 I D 0.0000
62 T D -0.9338
63 F D 0.0000
64 K D -2.1927
65 S D -1.3814
66 G D -1.3740
67 E D -1.1184
68 T D -0.8074
69 F D 0.0000
70 Q D 0.0000
71 V D 0.0000
72 E D 0.0000
73 V D -0.4239
74 P D -0.9395
75 G D -1.0621
76 S D -0.8162
77 Q D -1.1123
78 H D -0.9279
79 I D -0.8040
80 D D -2.4050
81 S D -1.8877
82 Q D 0.0000
83 K D -2.6947
84 K D -2.7656
85 A D 0.0000
86 I D 0.0000
87 E D -1.5095
88 R D 0.0000
89 M D 0.0000
90 K D 0.0000
91 D D -0.6625
92 T D 0.0000
93 L D 0.0000
94 R D 0.0000
95 I D 0.1786
96 T D 0.0000
97 Y D 0.0000
98 L D -0.7326
99 T D -0.9712
100 E D -2.4330
101 T D -2.2530
102 K D -3.2861
103 I D 0.0000
104 D D 0.0000
105 K D -0.7346
106 L D 0.0000
107 C D 0.0000
108 V D 0.0000
109 W D -1.3058
110 N D -1.9811
111 N D -2.3159
112 K D -1.7462
113 T D -1.2132
114 P D 0.0000
115 N D -1.1846
116 S D 0.0000
117 I D 0.0000
118 A D 0.0000
119 A D 0.0000
120 I D 0.0000
121 S D 0.0000
122 M D 0.0000
123 K D -2.5839
124 N D -2.6544
1 M E 0.2216
2 N E -1.2823
3 K E -1.5674
4 V E 0.2732
5 K E -0.4958
6 C E 1.6391
7 Y E 3.0719
8 V E 3.7614
9 L E 3.8913
10 F E 3.6668
11 T E 2.3960
12 A E 2.0730
13 L E 2.5163
14 L E 2.4215
15 S E 1.6818
16 S E 1.6644
17 L E 2.1430
18 Y E 1.6280
19 A E 0.5102
20 H E -0.4997
21 G E -0.9963
22 A E -0.8479
23 P E 0.0000
24 Q E -0.9815
25 T E -0.8023
26 I E 0.0000
27 T E -1.0172
28 E E -1.9389
29 L E 0.0000
30 C E 0.0000
31 S E -1.7027
32 E E -2.1113
33 Y E -1.6946
34 R E -2.5680
35 N E -2.0607
36 T E -1.5282
37 Q E -0.6564
38 I E 0.3248
39 Y E 0.1604
40 T E -0.2181
41 I E -1.0432
42 N E -2.0490
43 D E -2.1638
44 K E -2.3927
45 I E 0.0000
46 L E -1.5824
47 S E -1.1463
48 Y E 0.0000
49 T E 0.0000
50 E E 0.0000
51 S E 0.0000
52 M E 0.0000
53 A E 0.0000
54 G E -1.2312
55 K E -1.9175
56 R E -1.2338
57 E E 0.0000
58 M E 0.0000
59 V E 0.0000
60 I E 0.0000
61 I E 0.0000
62 T E -0.9381
63 F E 0.0000
64 K E -2.1976
65 S E -1.3821
66 G E -1.3763
67 E E -1.1270
68 T E -0.7967
69 F E 0.0000
70 Q E 0.0000
71 V E 0.0000
72 E E 0.0000
73 V E -0.4093
74 P E -0.9384
75 G E -1.0100
76 S E -0.7790
77 Q E -1.0869
78 H E 0.0000
79 I E -0.8297
80 D E -2.4369
81 S E -1.9158
82 Q E 0.0000
83 K E -2.8239
84 K E -2.8299
85 A E 0.0000
86 I E 0.0000
87 E E -1.5806
88 R E 0.0000
89 M E 0.0000
90 K E 0.0000
91 D E -0.7439
92 T E 0.0000
93 L E 0.0000
94 R E -0.2657
95 I E 0.0878
96 T E 0.0000
97 Y E 0.0000
98 L E -0.7902
99 T E -0.9830
100 E E -2.4261
101 T E -2.1846
102 K E -3.1465
103 I E 0.0000
104 D E 0.0000
105 K E -0.6994
106 L E 0.0000
107 C E 0.0000
108 V E 0.0000
109 W E -1.2858
110 N E -1.9273
111 N E -2.3128
112 K E -1.8053
113 T E -1.2280
114 P E 0.0000
115 N E -1.1802
116 S E 0.0000
117 I E 0.0000
118 A E 0.0000
119 A E 0.0000
120 I E 0.0000
121 S E 0.0000
122 M E 0.0000
123 K E -2.4512
124 N E -2.5745
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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
VR8B -0.8316 -0.0113 View CSV PDB
LR9C -0.6043 -0.0103 View CSV PDB
LD9B -0.4671 -0.0114 View CSV PDB
LD9E -0.5815 -0.0101 View CSV PDB
LK9B -0.589 -0.0097 View CSV PDB
LD9C -0.5624 -0.0093 View CSV PDB
LE9E -0.4612 -0.0102 View CSV PDB
LE9D -0.4472 -0.0102 View CSV PDB
LK9D -0.6324 -0.0076 View CSV PDB
LE9A -0.3761 -0.0094 View CSV PDB
VD8B -0.2471 -0.0101 View CSV PDB
LK9A -0.2713 -0.0084 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018