Project name: ffdc633899b79ee

Status: done

Started: 2026-04-10 08:30:47
Settings
Chain sequence(s) H: QVQLVESGGGLVQPGGSLRLSCAASGASRPLSSYSWAWFRQAPGQGLEAVAAIGGDGSTTIYHPAVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAGGGGPSAGKDYWGQGTLVTVS
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                                          (00:01:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:54)
Show buried residues

Minimal score value
-2.987
Maximal score value
1.7617
Average score
-0.6599
Total score value
-79.8428

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 -2.0639
2 V H 0.0000
3 Q H -1.2324
4 L H 0.0000
5 V H 0.7470
6 E H 0.0000
7 S H -0.2981
8 G H -0.7044
9 G H 0.1892
10 G H 0.8767
11 L H 1.4380
12 V H -0.1200
13 Q H -1.4472
14 P H -1.8955
15 G H -1.6366
16 G H -1.0529
17 S H -1.3434
18 L H -0.8781
19 R H -1.9612
20 L H 0.0000
21 S H -0.4240
22 C H 0.0000
23 A H -0.2738
24 A H 0.0000
25 S H -1.0428
26 G H -1.4744
27 A H -1.5397
28 S H -1.5226
29 R H -2.1657
30 P H -1.4193
31 L H 0.0000
32 S H -1.5569
33 S H -1.3239
34 Y H 0.0000
35 S H -0.9819
36 W H 0.0000
37 A H 0.4757
38 W H 0.0000
39 F H 0.4588
40 R H 0.0000
41 Q H -0.2312
42 A H -0.8018
43 P H -1.1673
44 G H -1.2075
45 Q H -1.5908
46 G H -0.6949
47 L H 0.7276
48 E H -0.0284
49 A H 0.3776
50 V H 0.0000
51 A H 0.0000
52 A H 0.6317
53 I H 0.0000
54 G H -0.8144
55 G H -1.5221
56 D H -2.2217
57 G H -1.5003
58 S H -0.9511
59 T H -0.1465
60 T H 0.8485
61 I H 1.7320
62 Y H 0.3290
63 H H -0.4558
64 P H -0.7927
65 A H -0.9361
66 V H 0.0000
67 K H -1.8542
68 G H -1.5933
69 R H -1.4281
70 F H 0.0000
71 T H -0.6909
72 I H 0.0000
73 S H -0.4869
74 R H -1.3435
75 D H -1.7685
76 N H -2.2743
77 S H -1.7565
78 K H -2.4827
79 N H -1.8641
80 T H -1.1035
81 L H 0.0000
82 Y H -0.5854
83 L H 0.0000
84 Q H -1.3721
85 M H 0.0000
86 N H -1.5861
87 S H -1.4788
88 L H 0.0000
89 R H -2.9870
90 A H -2.0678
91 E H -2.4878
92 D H 0.0000
93 T H -0.5036
94 A H 0.0000
95 V H 1.0333
96 Y H 0.0000
97 Y H 0.6684
98 C H 0.0000
99 A H 0.1279
100 A H 0.0000
101 G H -1.5044
102 G H -1.8372
103 G H -1.1896
104 G H -0.9847
105 P H -0.7532
106 S H -1.3425
107 A H -1.1558
108 G H -1.8880
109 K H -2.9643
110 D H -2.5834
111 Y H -1.0076
112 W H 0.5756
113 G H 0.0000
114 Q H -0.7530
115 G H 0.1856
116 T H 0.5951
117 L H 1.7617
118 V H 0.0000
119 T H 0.3172
120 V H 0.0000
121 S H -0.8393
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018