Project name: bd9a77bc256dd8b

Status: done

Started: 2026-03-17 01:07:32
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Chain sequence(s) H: EVQLVESGGGLVQPGGSLRLSCAASGLTFSRYPMSWVRQAPGKGLVWVSAITSSGGSTYYSDTVKGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCARLPDYWGQGTLVTVSS
L: EIVLTQSPGTLSLSPGERATLSCRASSSVSSSYLHWYQQKPGQAPRLLIYATSNLVAGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQHFSGYHFTFGGGTKVEIK
input PDB
Selected Chain(s) H,L
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                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:55)
Show buried residues

Minimal score value
-2.9319
Maximal score value
1.6118
Average score
-0.5034
Total score value
-111.2507

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 E H -2.0098
2 V H -1.0158
3 Q H -0.8801
4 L H 0.0000
5 V H 0.9786
6 E H 0.0000
7 S H -0.1575
8 G H -0.5537
9 G H 0.2778
11 G H 0.8556
12 L H 1.4338
13 V H -0.0972
14 Q H -1.4377
15 P H -1.8576
16 G H -1.6123
17 G H -1.2691
18 S H -1.1223
19 L H -0.5410
20 R H -1.1971
21 L H 0.0000
22 S H -0.2036
23 C H 0.0000
24 A H -0.1199
25 A H 0.0000
26 S H -0.8787
27 G H -1.1541
28 L H -0.7419
29 T H -0.6859
30 F H 0.0000
35 S H -1.4860
36 R H -1.8943
37 Y H -0.5791
38 P H -0.3369
39 M H 0.0000
40 S H 0.0000
41 W H 0.0000
42 V H 0.0000
43 R H 0.0000
44 Q H -0.1261
45 A H -0.7439
46 P H -0.7950
47 G H -1.4785
48 K H -2.0259
49 G H -0.9408
50 L H 0.0000
51 V H 0.8569
52 W H 0.0000
53 V H 0.0000
54 S H 0.0000
55 A H 0.0000
56 I H 0.0000
57 T H -0.5541
58 S H -0.9826
59 S H -0.9316
62 G H -0.7021
63 G H -0.6511
64 S H -0.2080
65 T H 0.1228
66 Y H 0.1476
67 Y H -0.6642
68 S H -1.1940
69 D H -2.4914
70 T H -1.7018
71 V H 0.0000
72 K H -2.6296
74 G H -1.7866
75 R H -1.5397
76 F H 0.0000
77 T H -0.6765
78 I H 0.0000
79 S H -0.3675
80 R H -0.8752
81 D H -1.3484
82 N H -1.7035
83 A H -1.2783
84 K H -2.1969
85 N H -1.6308
86 T H -0.8863
87 L H 0.0000
88 Y H -0.2679
89 L H 0.0000
90 Q H -0.7417
91 M H 0.0000
92 N H -1.3357
93 S H -1.4449
94 L H 0.0000
95 R H -2.9319
96 A H -2.0002
97 E H -2.4303
98 D H 0.0000
99 T H -0.4461
100 A H 0.0000
101 V H 0.8803
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 A H 0.0000
106 R H 0.0000
107 L H 0.9569
115 P H 0.4386
116 D H 0.2729
117 Y H 0.4814
118 W H 0.1476
119 G H 0.0000
120 Q H -1.0418
121 G H -0.1155
122 T H 0.6023
123 L H 1.6118
124 V H 0.0000
125 T H 0.3046
126 V H 0.0000
127 S H -0.6798
128 S H -0.5632
1 E L -1.2029
2 I L 0.1254
3 V L 1.0013
4 L L 0.0000
5 T L -0.6363
6 Q L 0.0000
7 S L -0.8734
8 P L -0.5980
9 G L -0.8593
10 T L -0.6732
11 L L -0.2109
12 S L -0.2112
13 L L -0.4398
14 S L -0.8816
15 P L -1.3188
16 G L -1.8359
17 E L -2.2792
18 R L -2.9111
19 A L 0.0000
20 T L -0.6298
21 L L 0.0000
22 S L -0.9089
23 C L 0.0000
24 R L -2.1838
25 A L 0.0000
26 S L -0.4445
27 S L -0.5948
28 S L -0.7900
29 V L 0.0000
30 S L -0.0924
36 S L -0.1550
37 S L 0.1937
38 Y L 1.0413
39 L L 0.0000
40 H L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L -0.6136
44 Q L 0.0000
45 K L -1.5144
46 P L -1.1178
47 G L -1.4691
48 Q L -2.0849
49 A L -1.2673
50 P L 0.0000
51 R L -0.9687
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 Y L 0.5133
56 A L 0.2264
57 T L 0.0000
65 S L -0.6073
66 N L -0.7206
67 L L -0.1685
68 V L 0.1168
69 A L -0.0425
70 G L -0.4477
71 I L -0.3875
72 P L -0.9524
74 D L -1.9019
75 R L -1.8102
76 F L 0.0000
77 S L -0.7808
78 G L -0.4142
79 S L -0.7664
80 G L -1.0284
83 S L -1.0272
84 G L -1.0089
85 T L -1.4337
86 D L -1.9859
87 F L 0.0000
88 T L -0.7620
89 L L 0.0000
90 T L -0.7990
91 I L 0.0000
92 S L -2.1153
93 R L -2.8686
94 L L 0.0000
95 E L -1.8346
96 P L -1.1794
97 E L -1.9575
98 D L 0.0000
99 F L -0.2988
100 A L 0.0000
101 V L -0.3184
102 Y L 0.0000
103 Y L 0.0000
104 C L 0.0000
105 Q L 0.0000
106 H L 0.0000
107 F L 0.7232
108 S L 0.4010
109 G L 0.2706
114 Y L 1.0054
115 H L 0.1956
116 F L 0.5708
117 T L 0.5218
118 F L 0.0000
119 G L 0.0000
120 G L -0.5068
121 G L -0.8269
122 T L 0.0000
123 K L -1.0991
124 V L 0.0000
125 E L 0.0330
126 I L 1.0140
127 K L -0.8157
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Laboratory of Theory of Biopolymers 2018