Project name: test

Status: done

Started: 2025-10-09 05:06:10
Settings
Chain sequence(s) A: VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR
C: VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR
B: VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
D: VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
input PDB
Selected Chain(s) A,C,B,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                                          (00:07:46)
[INFO]       Auto_mut: Residue number 34 from chain A and a score of 0.501 (leucine) selected for  
                       automated muatation                                                         (00:07:50)
[INFO]       Auto_mut: Residue number 1 from chain C and a score of 0.351 (valine) selected for    
                       automated muatation                                                         (00:07:50)
[INFO]       Auto_mut: Residue number 41 from chain B and a score of 0.311 (phenylalanine)         
                       selected for automated muatation                                            (00:07:50)
[INFO]       Auto_mut: Residue number 1 from chain A and a score of 0.304 (valine) selected for    
                       automated muatation                                                         (00:07:50)
[INFO]       Auto_mut: Residue number 35 from chain A and a score of 0.253 (serine) selected for   
                       automated muatation                                                         (00:07:50)
[INFO]       Auto_mut: Residue number 35 from chain B and a score of 0.183 (tyrosine) selected for 
                       automated muatation                                                         (00:07:50)
[INFO]       Auto_mut: Mutating residue number 34 from chain A (leucine) into glutamic acid        (00:07:50)
[INFO]       Auto_mut: Mutating residue number 34 from chain A (leucine) into aspartic acid        (00:07:50)
[INFO]       Auto_mut: Mutating residue number 1 from chain C (valine) into glutamic acid          (00:07:50)
[INFO]       Auto_mut: Mutating residue number 1 from chain C (valine) into lysine                 (00:12:26)
[INFO]       Auto_mut: Mutating residue number 34 from chain A (leucine) into lysine               (00:12:39)
[INFO]       Auto_mut: Mutating residue number 34 from chain A (leucine) into arginine             (00:12:41)
[INFO]       Auto_mut: Mutating residue number 1 from chain C (valine) into aspartic acid          (00:17:03)
[INFO]       Auto_mut: Mutating residue number 41 from chain B (phenylalanine) into glutamic acid  
                       Mutating residue number 41 from chain B (phenylalanine) into glutamic acid  (00:17:09)
[INFO]       Auto_mut: Mutating residue number 41 from chain B (phenylalanine) into aspartic acid  
                       Mutating residue number 41 from chain B (phenylalanine) into aspartic acid  (00:17:18)
[INFO]       Auto_mut: Mutating residue number 1 from chain C (valine) into arginine               (00:21:33)
[INFO]       Auto_mut: Mutating residue number 41 from chain B (phenylalanine) into lysine         (00:21:46)
[INFO]       Auto_mut: Mutating residue number 41 from chain B (phenylalanine) into arginine       (00:21:53)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (valine) into glutamic acid          (00:26:09)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (valine) into aspartic acid          (00:26:43)
[INFO]       Auto_mut: Mutating residue number 35 from chain A (serine) into glutamic acid         (00:27:05)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (valine) into lysine                 (00:30:53)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (valine) into arginine               (00:31:19)
[INFO]       Auto_mut: Mutating residue number 35 from chain A (serine) into lysine                (00:31:40)
[INFO]       Auto_mut: Mutating residue number 35 from chain A (serine) into aspartic acid         (00:35:10)
[INFO]       Auto_mut: Mutating residue number 35 from chain B (tyrosine) into glutamic acid       (00:35:57)
[INFO]       Auto_mut: Mutating residue number 35 from chain B (tyrosine) into aspartic acid       (00:36:27)
[INFO]       Auto_mut: Mutating residue number 35 from chain A (serine) into arginine              (00:39:37)
[INFO]       Auto_mut: Mutating residue number 35 from chain B (tyrosine) into lysine              (00:41:03)
[INFO]       Auto_mut: Mutating residue number 35 from chain B (tyrosine) into arginine            (00:41:29)
[INFO]       Auto_mut: Effect of mutation residue number 34 from chain A (leucine) into glutamic   
                       acid: Energy difference: 1.6629 kcal/mol, Difference in average score from  
                       the base case: -0.0167                                                      (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 34 from chain A (leucine) into lysine:    
                       Energy difference: 0.4587 kcal/mol, Difference in average score from the    
                       base case: -0.0067                                                          (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 34 from chain A (leucine) into aspartic   
                       acid: Energy difference: 2.4465 kcal/mol, Difference in average score from  
                       the base case: -0.0174                                                      (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 34 from chain A (leucine) into arginine:  
                       Energy difference: 0.5149 kcal/mol, Difference in average score from the    
                       base case: -0.0176                                                          (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain C (valine) into glutamic     
                       acid: Energy difference: 0.6531 kcal/mol, Difference in average score from  
                       the base case: -0.0125                                                      (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain C (valine) into lysine:      
                       Energy difference: 0.1701 kcal/mol, Difference in average score from the    
                       base case: -0.0129                                                          (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain C (valine) into aspartic     
                       acid: Energy difference: 1.7079 kcal/mol, Difference in average score from  
                       the base case: -0.0137                                                      (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain C (valine) into arginine:    
                       Energy difference: 0.2679 kcal/mol, Difference in average score from the    
                       base case: -0.0153                                                          (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 41 from chain B (phenylalanine) into      
                       glutamic acid: Energy difference: 1.4411 kcal/mol, Difference in average    
                       score from the base case: -0.0246                                           (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 41 from chain B (phenylalanine) into      
                       lysine: Energy difference: 0.6662 kcal/mol, Difference in average score     
                       from the base case: -0.0222                                                 (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 41 from chain B (phenylalanine) into      
                       aspartic acid: Energy difference: 1.9014 kcal/mol, Difference in average    
                       score from the base case: -0.0266                                           (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 41 from chain B (phenylalanine) into      
                       arginine: Energy difference: -0.0419 kcal/mol, Difference in average score  
                       from the base case: -0.0193                                                 (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (valine) into glutamic     
                       acid: Energy difference: 0.6116 kcal/mol, Difference in average score from  
                       the base case: -0.0195                                                      (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (valine) into lysine:      
                       Energy difference: 0.1096 kcal/mol, Difference in average score from the    
                       base case: -0.0125                                                          (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (valine) into aspartic     
                       acid: Energy difference: 1.6585 kcal/mol, Difference in average score from  
                       the base case: -0.0139                                                      (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (valine) into arginine:    
                       Energy difference: 0.1964 kcal/mol, Difference in average score from the    
                       base case: -0.0154                                                          (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 35 from chain A (serine) into glutamic    
                       acid: Energy difference: 4.6802 kcal/mol, Difference in average score from  
                       the base case: -0.0047                                                      (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 35 from chain A (serine) into lysine:     
                       Energy difference: 6.9668 kcal/mol, Difference in average score from the    
                       base case: -0.0021                                                          (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 35 from chain A (serine) into aspartic    
                       acid: Energy difference: 2.5795 kcal/mol, Difference in average score from  
                       the base case: -0.0046                                                      (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 35 from chain A (serine) into arginine:   
                       Energy difference: 11.8426 kcal/mol, Difference in average score from the   
                       base case: -0.0018                                                          (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 35 from chain B (tyrosine) into glutamic  
                       acid: Energy difference: 4.8857 kcal/mol, Difference in average score from  
                       the base case: -0.0005                                                      (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 35 from chain B (tyrosine) into lysine:   
                       Energy difference: 2.3594 kcal/mol, Difference in average score from the    
                       base case: -0.0045                                                          (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 35 from chain B (tyrosine) into aspartic  
                       acid: Energy difference: 5.4946 kcal/mol, Difference in average score from  
                       the base case: -0.0009                                                      (00:46:38)
[INFO]       Auto_mut: Effect of mutation residue number 35 from chain B (tyrosine) into arginine: 
                       Energy difference: 0.8808 kcal/mol, Difference in average score from the    
                       base case: -0.0003                                                          (00:46:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:46:51)
Show buried residues
Minimal score value
-3.7758
Maximal score value
0.501
Average score
-0.7925
Total score value
-454.9231
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 V A 0.3045
2 L A -0.3241
3 S A -0.7927
4 P A -0.8133
5 A A -0.5742
6 D A 0.0000
7 K A -1.0258
8 T A -0.7481
9 N A -0.8022
10 V A 0.0000
11 K A -1.6119
12 A A -1.2930
13 A A -1.2851
14 W A 0.0000
15 G A -1.7339
16 K A -2.3556
17 V A 0.0000
18 G A -1.2155
19 A A -0.9877
20 H A -1.7922
21 A A -2.0115
22 G A -2.8299
23 E A -2.7813
24 Y A 0.0000
25 G A 0.0000
26 A A 0.0000
27 E A -1.2703
28 A A 0.0000
29 L A 0.0000
30 E A -0.5481
31 R A 0.0000
32 M A 0.0000
33 F A 0.0000
34 L A 0.5010
35 S A 0.2531
36 F A 0.1534
37 P A -0.1558
38 T A -0.2683
39 T A 0.0000
40 K A -0.5791
41 T A -0.4435
42 Y A 0.0315
43 F A -0.3021
44 P A -0.7725
45 H A -1.2529
46 F A -1.0132
47 D A -1.9246
48 L A -1.1710
49 S A -1.2030
50 H A -1.5979
51 G A -1.5742
52 S A 0.0000
53 A A -1.3561
54 Q A -1.7195
55 V A 0.0000
56 K A -3.0171
57 G A -2.3484
58 H A -2.2088
59 G A 0.0000
60 K A -3.7758
61 K A -3.2006
62 V A -1.6285
63 A A 0.0000
64 D A -2.6039
65 A A -1.4488
66 L A 0.0000
67 T A -1.2903
68 N A -1.1708
69 A A 0.0000
70 V A 0.0000
71 A A -0.9909
72 H A -1.6982
73 V A -1.5526
74 D A -2.5248
75 D A -2.3455
76 M A 0.0000
77 P A -1.3080
78 N A -2.0606
79 A A -1.2509
80 L A 0.0000
81 S A -1.1229
82 A A -0.6826
83 L A -0.3065
84 S A 0.0000
85 D A -2.4855
86 L A -1.0516
87 H A -0.9317
88 A A 0.0000
89 H A -2.0403
90 K A -2.1461
91 L A -0.8103
92 R A -0.8881
93 V A -0.1211
94 D A 0.0000
95 P A -0.2104
96 V A -0.3151
97 N A -0.2403
98 F A -0.4150
99 K A -1.3847
100 L A -0.3661
101 L A -0.1053
102 S A -0.4952
103 H A 0.0000
104 C A 0.0000
105 L A 0.0000
106 L A 0.0000
107 V A 0.0000
108 T A 0.0000
109 L A 0.0000
110 A A 0.0000
111 A A -0.9931
112 H A -1.0879
113 L A 0.0000
114 P A -0.6562
115 A A -0.4561
116 E A -1.0520
117 F A 0.0000
118 T A -0.2206
119 P A -0.3087
120 A A -0.2582
121 V A -0.0779
122 H A 0.0000
123 A A -0.0944
124 S A 0.0000
125 L A 0.0000
126 D A -0.6074
127 K A -0.3398
128 F A 0.0000
129 L A 0.0000
130 A A -0.3903
131 S A 0.0091
132 V A 0.0000
133 S A -0.3198
134 T A 0.0240
135 V A 0.0000
136 L A 0.0000
137 T A -0.2856
138 S A -0.7530
139 K A -1.3996
140 Y A 0.0000
141 R A -2.3635
1 V B -0.4104
2 H B -1.1635
3 L B 0.0000
4 T B -1.2388
5 P B -1.7223
6 E B -2.4283
7 E B -1.8417
8 K B -1.8640
9 S B -1.3849
10 A B -1.0375
11 V B 0.0000
12 T B -0.8151
13 A B -0.6189
14 L B 0.0000
15 W B -0.5003
16 G B -1.0933
17 K B -1.8181
18 V B -1.2387
19 N B -1.7029
20 V B -0.6808
21 D B -2.5080
22 E B -2.5654
23 V B 0.0000
24 G B 0.0000
25 G B 0.0000
26 E B -1.1501
27 A B 0.0000
28 L B 0.0000
29 G B 0.0000
30 R B 0.0000
31 L B 0.0000
32 L B 0.0000
33 V B -0.0057
34 V B 0.0000
35 Y B 0.1832
36 P B -0.2726
37 W B -0.2296
38 T B 0.0000
39 Q B 0.0000
40 R B -0.8775
41 F B 0.3107
42 F B -0.7638
43 E B -2.0535
44 S B -1.3653
45 F B -1.3195
46 G B -1.9819
47 D B -2.6843
48 L B 0.0000
49 S B -1.1335
50 T B -1.0603
51 P B -1.0181
52 D B -2.1330
53 A B -1.6385
54 V B 0.0000
55 M B -1.0455
56 G B -1.4937
57 N B 0.0000
58 P B -1.2221
59 K B -1.9348
60 V B 0.0000
61 K B -2.2732
62 A B -1.9561
63 H B -1.6190
64 G B 0.0000
65 K B -2.3309
66 K B -2.1057
67 V B -0.9705
68 L B 0.0000
69 G B -1.1707
70 A B -0.8887
71 F B 0.0000
72 S B -0.7223
73 D B -1.4239
74 G B 0.0000
75 L B -0.6071
76 A B -0.9484
77 H B -1.7481
78 L B -1.4943
79 D B -2.6159
80 N B -2.5736
81 L B 0.0000
82 K B -2.1104
83 G B -1.6945
84 T B -1.3162
85 F B 0.0000
86 A B -0.8483
87 T B -0.3072
88 L B -0.5008
89 S B 0.0000
90 E B -2.2190
91 L B -1.0720
92 H B -1.1563
93 C B 0.0000
94 D B -3.0358
95 K B -2.3180
96 L B -0.5088
97 H B -1.3055
98 V B 0.0000
99 D B -0.7866
100 P B -1.1471
101 E B -1.3222
102 N B 0.0000
103 F B 0.0000
104 R B -1.1324
105 L B -0.4153
106 L B -0.0678
107 G B -0.2358
108 N B -0.3272
109 V B 0.0000
110 L B 0.0000
111 V B 0.0000
112 C B 0.0000
113 V B 0.0000
114 L B 0.0000
115 A B 0.0000
116 H B -0.8246
117 H B -1.2403
118 F B -1.2110
119 G B -1.4993
120 K B -2.3602
121 E B -1.8343
122 F B 0.0000
123 T B -0.7631
124 P B -0.2421
125 P B -0.2285
126 V B -0.3784
127 Q B 0.0000
128 A B 0.0000
129 A B 0.0000
130 Y B 0.0000
131 Q B 0.0000
132 K B -0.6974
133 V B 0.0000
134 V B 0.0000
135 A B -0.3918
136 G B -0.6293
137 V B -0.2991
138 A B 0.0000
139 N B -0.7911
140 A B 0.0000
141 L B -0.7208
142 A B 0.0000
143 H B -1.8717
144 K B -2.4832
145 Y B -1.3662
146 H B -1.3189
1 V C 0.3511
2 L C -0.2634
3 S C -0.6688
4 P C -0.6221
5 A C -0.5824
6 D C 0.0000
7 K C -1.0539
8 T C -0.7956
9 N C -0.8453
10 V C 0.0000
11 K C -1.7815
12 A C -1.3550
13 A C 0.0000
14 W C 0.0000
15 G C -1.8183
16 K C -2.4025
17 V C 0.0000
18 G C -1.3562
19 A C -1.1792
20 H C -1.8462
21 A C -1.8518
22 G C -2.4820
23 E C -2.6105
24 Y C 0.0000
25 G C 0.0000
26 A C 0.0000
27 E C -1.1382
28 A C 0.0000
29 L C 0.0000
30 E C -0.6315
31 R C 0.0000
32 M C 0.0000
33 F C 0.0000
34 L C 0.1191
35 S C 0.0748
36 F C 0.0650
37 P C -0.2530
38 T C -0.3412
39 T C 0.0000
40 K C -0.6402
41 T C -0.5403
42 Y C -0.0131
43 F C -0.2962
44 P C -0.7360
45 H C -1.1265
46 F C -0.8910
47 D C -1.5753
48 L C -1.0619
49 S C -1.1428
50 H C -1.5496
51 G C -1.4406
52 S C 0.0000
53 A C -1.1770
54 Q C -1.4788
55 V C 0.0000
56 K C -2.5255
57 G C -2.0370
58 H C -1.8131
59 G C 0.0000
60 K C -2.9193
61 K C -2.6093
62 V C -1.4189
63 A C 0.0000
64 D C -1.7804
65 A C -1.1468
66 L C 0.0000
67 T C -1.2457
68 N C -1.3160
69 A C 0.0000
70 V C 0.0000
71 A C -1.2526
72 H C -2.1660
73 V C -1.9038
74 D C -2.8875
75 D C -3.0525
76 M C 0.0000
77 P C -1.4920
78 N C -2.2580
79 A C -1.4972
80 L C 0.0000
81 S C -1.1551
82 A C -0.6805
83 L C -0.4089
84 S C 0.0000
85 D C -2.7292
86 L C -1.1723
87 H C -1.1255
88 A C 0.0000
89 H C -2.4967
90 K C -2.4214
91 L C -1.0793
92 R C -1.0030
93 V C -0.2088
94 D C 0.0000
95 P C -0.1631
96 V C -0.2565
97 N C -0.1951
98 F C -0.3013
99 K C -1.2039
100 L C -0.2553
101 L C -0.0192
102 S C -0.4119
103 H C 0.0000
104 C C 0.0000
105 L C 0.0000
106 L C 0.0000
107 V C 0.0000
108 T C 0.0000
109 L C 0.0000
110 A C 0.0000
111 A C -1.1070
112 H C -0.9096
113 L C 0.0000
114 P C -0.6419
115 A C -0.3825
116 E C -0.8416
117 F C 0.0000
118 T C -0.1813
119 P C -0.2779
120 A C -0.2139
121 V C -0.0960
122 H C 0.0000
123 A C -0.0917
124 S C 0.0000
125 L C 0.0000
126 D C -0.5850
127 K C -0.3171
128 F C 0.0000
129 L C 0.0000
130 A C -0.3685
131 S C 0.0016
132 V C 0.0000
133 S C -0.2758
134 T C -0.0032
135 V C 0.0000
136 L C 0.0000
137 T C -0.4227
138 S C -0.9865
139 K C -1.8940
140 Y C 0.0000
141 R C -2.4501
1 V D -0.4553
2 H D -1.1932
3 L D 0.0000
4 T D -1.2038
5 P D -1.6144
6 E D -2.3064
7 E D -1.7892
8 K D -1.5701
9 S D -1.2178
10 A D -0.8168
11 V D 0.0000
12 T D -0.7730
13 A D -0.6031
14 L D 0.0000
15 W D -0.6730
16 G D -1.2115
17 K D -1.9230
18 V D 0.0000
19 N D -2.1322
20 V D -1.1079
21 D D -2.8299
22 E D -2.9606
23 V D 0.0000
24 G D 0.0000
25 G D 0.0000
26 E D -1.2258
27 A D 0.0000
28 L D 0.0000
29 G D 0.0000
30 R D 0.0000
31 L D 0.0000
32 L D 0.0000
33 V D -0.0235
34 V D 0.0000
35 Y D 0.1571
36 P D -0.1524
37 W D -0.1810
38 T D 0.0000
39 Q D -0.4075
40 R D -0.7745
41 F D 0.1802
42 F D -0.8422
43 E D -2.0504
44 S D -1.4099
45 F D -1.4366
46 G D -2.0085
47 D D -2.7131
48 L D 0.0000
49 S D -1.1682
50 T D -1.1033
51 P D -1.0161
52 D D -2.1234
53 A D -1.6373
54 V D 0.0000
55 M D -1.0660
56 G D -1.5139
57 N D 0.0000
58 P D -1.3814
59 K D -2.2680
60 V D 0.0000
61 K D -2.5362
62 A D -2.1963
63 H D -1.7842
64 G D 0.0000
65 K D -2.5946
66 K D -2.2892
67 V D -1.1303
68 L D 0.0000
69 G D -1.1550
70 A D -1.0259
71 F D 0.0000
72 S D -0.8342
73 D D -1.4909
74 G D 0.0000
75 L D 0.0000
76 A D -0.9556
77 H D -1.6508
78 L D -1.5129
79 D D -2.3859
80 N D -1.9987
81 L D 0.0000
82 K D -2.1281
83 G D -1.6664
84 T D -1.2779
85 F D 0.0000
86 A D -0.9007
87 T D -0.4004
88 L D -0.4885
89 S D 0.0000
90 E D -2.0153
91 L D -0.9622
92 H D -1.0497
93 C D 0.0000
94 D D -2.8860
95 K D -2.3345
96 L D -0.7439
97 H D -1.0981
98 V D -0.4803
99 D D -0.6482
100 P D -1.0886
101 E D -1.2810
102 N D 0.0000
103 F D -0.5676
104 R D -1.0746
105 L D -0.4075
106 L D -0.0854
107 G D 0.0000
108 N D -0.3745
109 V D 0.0000
110 L D 0.0000
111 V D 0.0000
112 C D 0.0000
113 V D 0.0000
114 L D 0.0000
115 A D 0.0000
116 H D -0.7950
117 H D -1.2847
118 F D -1.4839
119 G D -1.7724
120 K D -2.7365
121 E D -2.6511
122 F D 0.0000
123 T D -1.0525
124 P D -0.5031
125 P D -0.1205
126 V D -0.4758
127 Q D 0.0000
128 A D 0.0000
129 A D 0.0000
130 Y D 0.0000
131 Q D 0.0000
132 K D -0.7620
133 V D 0.0000
134 V D 0.0000
135 A D -0.4290
136 G D -0.5477
137 V D 0.0000
138 A D 0.0000
139 N D -0.8960
140 A D 0.0000
141 L D 0.0000
142 A D 0.0000
143 H D -2.1392
144 K D -2.2564
145 Y D -1.2463
146 H D -1.1227
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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
FR41B -0.0419 -0.0193 View CSV PDB
VK1A 0.1096 -0.0125 View CSV PDB
VR1A 0.1964 -0.0154 View CSV PDB
VK1C 0.1701 -0.0129 View CSV PDB
VR1C 0.2679 -0.0153 View CSV PDB
LR34A 0.5149 -0.0176 View CSV PDB
FK41B 0.6662 -0.0222 View CSV PDB
LK34A 0.4587 -0.0067 View CSV PDB
YK35B 2.3594 -0.0045 View CSV PDB
SD35A 2.5795 -0.0046 View CSV PDB
SE35A 4.6802 -0.0047 View CSV PDB
YR35B 0.8808 -0.0003 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018