Project name: 5b82bafc7473a0f

Status: done

Started: 2026-04-28 07:26:49
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Chain sequence(s) H: EVQLVESGGGLVQPGGSLRLSCAASGRTFSYNPMGWFRQAPGKGRELVAAISRTGGSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAAGVRAEDGRVRTLPSEYTFWGQGTQVTVSS
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                                          (00:01:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:21)
Show buried residues

Minimal score value
-2.6553
Maximal score value
1.3527
Average score
-0.6567
Total score value
-84.0604

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 -2.6277
2 V H 0.0000
3 Q H -1.5445
4 L H 0.0000
5 V H 1.2141
6 E H 0.0000
7 S H -0.4131
8 G H -1.0071
9 G H -0.5211
10 G H 0.3303
11 L H 1.1288
12 V H 0.0527
13 Q H -1.2783
14 P H -1.2726
15 G H -1.2863
16 G H -0.8983
17 S H -1.0225
18 L H -0.5657
19 R H -1.4752
20 L H 0.0000
21 S H -0.2011
22 C H 0.0000
23 A H -0.1154
24 A H 0.0000
25 S H -1.2188
26 G H -2.1399
27 R H -2.6388
28 T H -1.5984
29 F H -0.9006
30 S H -0.5610
31 Y H 0.5497
32 N H -0.3886
33 P H 0.0000
34 M H 0.0000
35 G H 0.0000
36 W H 0.0000
37 F H 0.0000
38 R H 0.0000
39 Q H -1.5318
40 A H -1.5262
41 P H -1.0688
42 G H -1.5497
43 K H -2.6495
44 G H -2.1489
45 R H -1.9626
46 E H -1.6152
47 L H -0.2736
48 V H 0.0000
49 A H 0.0000
50 A H 0.0000
51 I H 0.0000
52 S H 0.0000
53 R H -1.0074
54 T H -0.7339
55 G H -0.8341
56 G H -0.9271
57 S H -0.7267
58 T H -0.1856
59 Y H 0.1499
60 Y H -0.6640
61 P H -1.2924
62 D H -2.4566
63 S H -1.8243
64 V H 0.0000
65 E H -2.6553
66 G H -1.8059
67 R H -1.5615
68 F H 0.0000
69 T H -0.7300
70 I H 0.0000
71 S H -0.3770
72 R H -0.8362
73 D H -1.2697
74 N H -1.2272
75 A H -1.2094
76 K H -2.3186
77 R H -1.7825
78 M H -0.7986
79 V H 0.0000
80 Y H -0.3631
81 L H 0.0000
82 Q H -0.9078
83 M H 0.0000
84 N H -1.2106
85 S H -1.1273
86 L H 0.0000
87 R H -1.9535
88 A H -1.5465
89 E H -2.1200
90 D H 0.0000
91 T H -0.6857
92 A H 0.0000
93 V H -0.2665
94 Y H 0.0000
95 Y H -0.0858
96 C H 0.0000
97 A H 0.0000
98 A H 0.0000
99 A H 0.0000
100 G H -0.4152
101 V H 0.3063
102 R H -1.7560
103 A H 0.0000
104 E H -2.6109
105 D H -2.2392
106 G H -1.8316
107 R H -2.3291
108 V H -0.6922
109 R H -0.3152
110 T H 0.7057
111 L H 1.3527
112 P H 0.1727
113 S H 0.3805
114 E H 0.0000
115 Y H 0.0000
116 T H 0.1311
117 F H 0.1415
118 W H 0.3067
119 G H -0.0057
120 Q H -0.7807
121 G H -0.3062
122 T H -0.4355
123 Q H -0.5016
124 V H 0.0000
125 T H -0.0880
126 V H 0.0000
127 S H -0.6992
128 S H -0.4847
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Laboratory of Theory of Biopolymers 2018