Project name: 68e403314bc41d

Status: done

Started: 2026-05-24 13:26:37
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Chain sequence(s) H: EVQLVESGGGLVQPGGSLRLSCAASGFSFSNYSMAWVRQAPGKGLEWVSVISSNGGNISYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARISALQVQLQSVTYLMDYWGQGTLVTVSS
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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)
Show buried residues

Minimal score value
-2.6544
Maximal score value
2.266
Average score
-0.4354
Total score value
-54.866

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 -1.4745
2 V H -0.6012
3 Q H -0.8907
4 L H 0.0000
5 V H 1.1179
6 E H 0.4739
7 S H -0.1388
8 G H -0.8047
9 G H 0.0390
10 G H 0.5564
11 L H 1.3151
12 V H 0.0000
13 Q H -1.3829
14 P H -1.6262
15 G H -1.4548
16 G H -1.0752
17 S H -1.2946
18 L H -0.9768
19 R H -2.0595
20 L H 0.0000
21 S H -0.4189
22 C H 0.0000
23 A H -0.0876
24 A H 0.0000
25 S H -0.5675
26 G H -0.5813
27 F H 0.6725
28 S H -0.0071
29 F H 0.0000
30 S H -1.2475
31 N H -1.3715
32 Y H -0.5331
33 S H 0.0000
34 M H 0.0000
35 A H 0.0000
36 W H 0.0000
37 V H 0.0000
38 R H 0.0000
39 Q H -0.6528
40 A H -1.0742
41 P H -0.8990
42 G H -1.4731
43 K H -2.2556
44 G H -1.2002
45 L H 0.0444
46 E H -0.5620
47 W H 0.0678
48 V H 0.0000
49 S H 0.0000
50 V H 0.0000
51 I H 0.0000
52 S H 0.0000
52A S H -1.4578
53 N H -1.9043
54 G H -1.1752
55 G H -1.0403
56 N H -0.5836
57 I H 0.4578
58 S H -0.2242
59 Y H -0.7829
60 A H -1.5620
61 D H -2.5087
62 S H -1.7832
63 V H 0.0000
64 K H -2.6544
65 G H -1.7712
66 R H -1.5360
67 F H 0.0000
68 T H -0.7052
69 I H 0.0000
70 S H -0.2160
71 R H -1.1277
72 D H -1.5796
73 N H -2.1635
74 S H -1.6775
75 K H -2.4142
76 N H -1.6664
77 T H -1.0212
78 L H 0.0000
79 Y H -0.4731
80 L H 0.0000
81 Q H -1.1277
82 M H 0.0000
82A N H -1.4143
82B S H -1.2330
82C L H 0.0000
83 R H -2.2254
84 A H -1.6963
85 E H -2.1971
86 D H 0.0000
87 T H -0.4005
88 A H 0.0000
89 V H 0.8348
90 Y H 0.0000
91 Y H 0.4322
92 C H 0.0000
93 A H 0.0000
94 R H 0.0000
95 I H 0.0000
96 S H -0.3874
97 A H -0.0439
98 L H 0.0442
99 Q H -0.7371
100 V H 0.4804
100A Q H 0.0000
100B L H 0.7685
100C Q H -0.2726
100D S H 0.0000
100E V H 1.6381
100F T H 1.2923
100G Y H 2.1687
100H L H 2.2660
100I M H 0.0000
101 D H -0.0145
102 Y H 0.2895
103 W H 0.2817
104 G H 0.0127
105 Q H -0.7412
106 G H 0.0708
107 T H 0.5533
108 L H 1.5269
109 V H 0.0000
110 T H 0.2798
111 V H 0.0000
112 S H -0.7404
113 S H -0.5798
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Laboratory of Theory of Biopolymers 2018