Project name: 75d51192290bc29

Status: done

Started: 2026-04-10 12:21:29
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Chain sequence(s) H: QVQLVESGGGLVQPGGSLRLSCAASGLGPFPFSSYGWAWFRQAPGQGLEAVAAIGGDGSVTYYHPSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAGGGSPEDGRYDYWGQGTLVTVS
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                                          (00:01:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:52)
Show buried residues

Minimal score value
-3.9184
Maximal score value
1.7439
Average score
-0.6575
Total score value
-80.8753

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 Q H -1.5458
2 V H -1.1545
3 Q H -1.2162
4 L H 0.0000
5 V H 0.5282
6 E H 0.0000
7 S H -0.1546
8 G H -0.5652
9 G H 0.2141
10 G H 0.7330
11 L H 1.3967
12 V H -0.0392
13 Q H -1.3325
14 P H -1.6052
15 G H -1.3981
16 G H -0.9022
17 S H -1.1254
18 L H -0.7250
19 R H -1.7994
20 L H 0.0000
21 S H -0.3984
22 C H 0.0000
23 A H -0.3491
24 A H 0.0000
25 S H -1.0816
26 G H -1.0648
27 L H 0.0000
28 G H -0.3330
29 P H 0.3377
30 F H 1.4401
31 P H 0.2291
32 F H 0.0000
33 S H -0.9730
34 S H -0.3837
35 Y H 0.0000
36 G H -0.6969
37 W H 0.0000
38 A H 0.0000
39 W H 0.0000
40 F H 0.0000
41 R H -0.3131
42 Q H -0.6695
43 A H -1.0134
44 P H -1.0832
45 G H -1.3573
46 Q H -1.7918
47 G H -1.1002
48 L H -0.1147
49 E H -1.0940
50 A H -0.3036
51 V H 0.0000
52 A H 0.0000
53 A H 0.5098
54 I H 0.0000
55 G H -0.4124
56 G H -1.1503
57 D H -2.0052
58 G H -1.1088
59 S H -0.3252
60 V H 0.9356
61 T H 1.1248
62 Y H 1.3065
63 Y H 0.0125
64 H H -0.7582
65 P H -0.9138
66 S H -1.0614
67 V H 0.0000
68 K H -1.8832
69 G H -1.4403
70 R H 0.0000
71 F H 0.0000
72 T H -0.6275
73 I H 0.0000
74 S H -0.3740
75 R H -1.3061
76 D H -1.7254
77 N H -2.2173
78 S H -1.7452
79 K H -2.4919
80 N H -1.9248
81 T H 0.0000
82 L H 0.0000
83 Y H -0.5667
84 L H 0.0000
85 Q H -1.2074
86 M H 0.0000
87 N H -1.2038
88 S H -1.1408
89 L H 0.0000
90 R H -2.2155
91 A H -1.7146
92 E H -2.2531
93 D H 0.0000
94 T H -0.4088
95 A H 0.0000
96 V H 0.9065
97 Y H 0.0000
98 Y H 0.2874
99 C H 0.0000
100 A H 0.0000
101 A H 0.0000
102 G H -1.3043
103 G H -2.2094
104 G H -2.6928
105 S H -2.1783
106 P H -2.3750
107 E H -3.3055
108 D H -3.9184
109 G H -3.2986
110 R H -3.4467
111 Y H -2.1342
112 D H -2.3278
113 Y H -0.7313
114 W H 0.0523
115 G H -0.1476
116 Q H -0.9216
117 G H 0.0291
118 T H 0.5867
119 L H 1.7439
120 V H 0.0000
121 T H 0.3816
122 V H 0.0000
123 S H -0.7731
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Laboratory of Theory of Biopolymers 2018