Project name: c57f611504a66db

Status: done

Started: 2026-06-04 14:36:14
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Chain sequence(s) H: EVQLLESGGGLVQPGGSLRLSCAMSGHFFNLYIMAWFRQAPGKEREFVAGVSTSGRTSLYADSVKGRFTISRDNSKTTGYLQMNSLKSEDTAVYYCAARSSASELWVPSGDEYYAWWGQGTTVTVSS
input PDB
Selected Chain(s) H
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 H 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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)
Show buried residues

Minimal score value
-3.747
Maximal score value
1.4374
Average score
-0.6907
Total score value
-87.7227

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 -2.3203
2 V H 0.0000
3 Q H -1.3349
4 L H 0.0000
5 L H 0.8819
6 E H 0.0033
7 S H -0.4580
8 G H -1.0924
9 G H -0.4954
10 G H 0.2254
11 L H 1.1231
12 V H 0.0000
13 Q H -1.4729
14 P H -1.7377
15 G H -1.4745
16 G H -0.9861
17 S H -1.2755
18 L H -0.9329
19 R H -2.1229
20 L H 0.0000
21 S H -0.4570
22 C H 0.0000
23 A H -0.0865
24 M H 0.0000
25 S H -0.7830
26 G H -1.2938
27 H H -0.7030
28 F H 0.8795
29 F H 0.0000
30 N H -0.6058
31 L H 0.7278
32 Y H 0.5017
33 I H 0.0000
34 M H 0.0000
35 A H 0.0000
36 W H 0.0000
37 F H 0.0000
38 R H -1.5678
39 Q H -2.2192
40 A H -1.9612
41 P H -1.4188
42 G H -1.9738
43 K H -3.4724
44 E H -3.7470
45 R H -3.2623
46 E H -3.2187
47 F H 0.0000
48 V H 0.0000
49 A H 0.0000
50 G H 0.0000
51 V H 0.0000
52 S H 0.0000
53 T H -0.4510
54 S H -0.9292
55 G H -1.6965
56 R H -1.9433
57 T H -0.6284
58 S H -0.2876
59 L H 0.1396
60 Y H -0.7282
61 A H -1.5407
62 D H -2.4942
63 S H -1.8429
64 V H 0.0000
65 K H -2.6115
66 G H -1.8029
67 R H -1.5526
68 F H 0.0000
69 T H -0.8133
70 I H 0.0000
71 S H -0.7904
72 R H -1.4615
73 D H -1.9423
74 N H -2.1642
75 S H -1.9410
76 K H -2.3707
77 T H -1.6925
78 T H 0.0000
79 G H 0.0000
80 Y H -0.6364
81 L H 0.0000
82 Q H -1.2224
83 M H 0.0000
84 N H -1.4091
85 S H -1.2718
86 L H 0.0000
87 K H -2.4224
88 S H -1.9755
89 E H -2.2465
90 D H 0.0000
91 T H -0.7497
92 A H 0.0000
93 V H -0.0257
94 Y H 0.0000
95 Y H -0.2844
96 C H 0.0000
97 A H 0.0000
98 A H 0.0000
99 R H -0.0332
100 S H 0.2088
101 S H 0.2876
102 A H 0.1684
103 S H -0.0375
104 E H 0.3547
105 L H 1.4374
106 W H 1.4215
107 V H 0.0000
108 P H 0.0000
109 S H -0.5982
110 G H -1.3199
111 D H -2.0294
112 E H -1.9280
113 Y H -0.4233
114 Y H 0.0000
115 A H -0.0621
116 W H 0.1271
117 W H 0.0312
118 G H -0.2627
119 Q H -0.9596
120 G H -0.4114
121 T H -0.2657
122 T H 0.0747
123 V H 0.0000
124 T H -0.0913
125 V H 0.0000
126 S H -0.5652
127 S H -0.9263
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Laboratory of Theory of Biopolymers 2018