Project name: 2efa963c13c4830

Status: done

Started: 2026-04-09 03:44:45
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Chain sequence(s) H: SVEESGGRLVAPGTPLTLTCTVSGIDLSTYGMGWVRQAPGKGLEYIGIIDSGSTYYANWAKGRFTISKTSTTVDLKMTSLTTEDTATYFCARDRDPSSSGYYFKMWGPGTLVTVSL
L: ALVMTQTPSSVSAAVGGTVTINCQASQSIGSYLAWYQQKPGQPPRLLIYGASNLESGVPSRFKGSGSGTEFTLTISDLECDDAATYYCQTAFYIFSSDNAFGGGTEVVVK
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]                                                (00:00:01)
[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 all 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                                          (00:01:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:42)
Show buried residues

Minimal score value
-2.4786
Maximal score value
2.9083
Average score
-0.4103
Total score value
-92.7208

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
3 S H -0.7833
4 V H 0.0000
5 E H -2.0089
6 E H 0.0000
7 S H -0.8308
8 G H -0.4742
9 G H -0.2442
11 R H -0.5817
12 L H 1.0919
13 V H 0.0000
14 A H 0.6593
15 P H 0.0908
16 G H -0.6872
17 T H -0.4550
18 P H -0.6522
19 L H 0.0000
20 T H -0.8245
21 L H 0.0000
22 T H -0.8847
23 C H 0.0000
24 T H -0.8409
25 V H 0.0000
26 S H -1.1128
27 G H -0.9478
28 I H -1.1025
29 D H -1.9251
30 L H 0.0000
35 S H -1.1201
36 T H -0.9869
37 Y H -0.9403
38 G H -0.7286
39 M H 0.0000
40 G H 0.0000
41 W H 0.0000
42 V H 0.0000
43 R H 0.0000
44 Q H -0.7826
45 A H -1.1395
46 P H -0.9292
47 G H -1.5252
48 K H -2.2738
49 G H -1.4083
50 L H 0.0000
51 E H -0.9119
52 Y H 0.0000
53 I H 0.0000
54 G H 0.0000
55 I H 0.1314
56 I H 0.0000
57 D H -1.2825
58 S H -1.1092
63 G H -1.0253
64 S H -0.6374
65 T H -0.1384
66 Y H 0.8863
67 Y H 0.0656
68 A H 0.0000
69 N H -1.2225
70 W H -0.6567
71 A H 0.0000
72 K H -2.1503
74 G H -1.6195
75 R H -1.3731
76 F H 0.0000
77 T H -0.8277
78 I H 0.0000
79 S H -0.8613
80 K H -1.0717
81 T H -0.5852
84 S H -0.7520
85 T H -0.7675
86 T H -0.6914
87 V H 0.0000
88 D H -1.0123
89 L H 0.0000
90 K H -1.4661
91 M H 0.0000
92 T H -0.8328
93 S H -0.6232
94 L H 0.0000
95 T H -0.8744
96 T H -0.9094
97 E H -1.8771
98 D H 0.0000
99 T H -0.2667
100 A H 0.0000
101 T H 0.4353
102 Y H 0.0000
103 F H 0.0000
104 C H 0.0000
105 A H 0.0000
106 R H -0.4602
107 D H 0.0000
108 R H -1.4199
109 D H -1.3829
110 P H -0.9064
111 S H -0.6799
111A S H -0.2919
112A S H 0.0605
112 G H 0.0000
113 Y H 0.6109
114 Y H 0.0000
115 F H 0.0000
116 K H -1.1174
117 M H -0.6039
118 W H -0.6544
119 G H 0.0000
120 P H -0.8586
121 G H -0.4544
122 T H -0.0017
123 L H 1.1639
124 V H 0.0000
125 T H 0.3948
126 V H 0.0000
127 S H 0.6982
128 L H 1.6778
1 A L 0.3099
2 L L 0.7323
3 V L 1.3939
4 M L 0.0000
5 T L -0.3388
6 Q L -0.6916
7 T L -0.6666
8 P L -0.5482
9 S L -0.7156
10 S L -0.4535
11 V L 0.0258
12 S L 0.0126
13 A L -0.0771
14 A L -0.1286
15 V L 0.3285
16 G L -0.7874
17 G L -0.7612
18 T L -0.6873
19 V L 0.0000
20 T L -0.3209
21 I L 0.0000
22 N L -1.0511
23 C L 0.0000
24 Q L -1.5251
25 A L -0.7746
26 S L -0.4607
27 Q L -1.3208
28 S L -1.1056
29 I L 0.0000
36 G L -0.5214
37 S L -0.1525
38 Y L 0.6004
39 L L 0.0000
40 A L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L 0.0000
44 Q L 0.0000
45 K L -1.6081
46 P L -1.1372
47 G L -1.3353
48 Q L -1.9223
49 P L -1.2614
50 P L 0.0000
51 R L -1.7587
52 L L 0.0000
53 L L 0.0000
54 I L 0.0000
55 Y L -0.1828
56 G L -0.4459
57 A L 0.0000
65 S L -1.2858
66 N L -1.5049
67 L L -0.7296
68 E L -0.5372
69 S L -0.5220
70 G L -0.5095
71 V L -0.3780
72 P L -0.5352
74 S L -0.9224
75 R L -1.4109
76 F L 0.0000
77 K L -2.0571
78 G L -1.2854
79 S L -1.2627
80 G L -1.1894
83 S L -1.0297
84 G L -1.2066
85 T L -1.7109
86 E L -2.4786
87 F L 0.0000
88 T L -1.1182
89 L L 0.0000
90 T L -0.9717
91 I L 0.0000
92 S L -1.4618
93 D L -1.9908
94 L L 0.0000
95 E L -1.4986
96 C L -0.6432
97 D L -1.6288
98 D L 0.0000
99 A L -0.7085
100 A L 0.0000
101 T L -0.6695
102 Y L 0.0000
103 Y L 0.0000
104 C L 0.0000
105 Q L 0.0000
106 T L 0.0000
107 A L 0.0000
108 F L 2.3083
109 Y L 2.5980
110 I L 2.9083
112 F L 2.7625
113 S L 0.8356
114 S L 1.0343
115 D L 0.5244
116 N L 0.5334
117 A L 0.3396
118 F L 0.1155
119 G L 0.0000
120 G L -0.8408
121 G L -0.9530
122 T L 0.0000
123 E L -1.1380
124 V L 0.0000
125 V L 0.4758
126 V L -0.0933
127 K L -0.9467
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Laboratory of Theory of Biopolymers 2018