Project name: 11.P2A10-2.pdb

Status: done

Started: 2026-03-19 12:32:58
Settings
Chain sequence(s) H: EVQVVESGGGLAQPGGSLRLSCVVSGSTFSTYGMRWYRQAPGKERERVASVTTGGGLTYYADSVKGRFTISRDNTKNTVYLQMNSLKPEDTAVYYCNAWRTLGGAQSDYWGQGTQVTVSS
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                                          (00:01:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:24)
Show buried residues

Minimal score value
-3.4552
Maximal score value
1.4617
Average score
-0.6898
Total score value
-82.7776

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 -2.2349
2 V H 0.0000
3 Q H -1.2442
4 V H 0.0000
5 V H 1.4617
6 E H 0.4284
7 S H -0.3854
8 G H -0.9690
9 G H -0.6481
11 G H 0.0636
12 L H 0.9711
13 A H -0.2723
14 Q H -1.4848
15 P H -1.6907
16 G H -1.5387
17 G H -1.0724
18 S H -1.0934
19 L H -0.7819
20 R H -1.7926
21 L H 0.0000
22 S H -0.0941
23 C H 0.0000
24 V H 0.9856
25 V H 0.0000
26 S H -0.7931
27 G H -1.4374
28 S H -1.0854
29 T H -0.5994
30 F H 0.0000
35 S H -0.7294
36 T H -0.0726
37 Y H 0.0000
38 G H 0.0000
39 M H 0.0000
40 R H -0.4478
41 W H 0.0000
42 Y H -0.8665
43 R H 0.0000
44 Q H -1.9007
45 A H -1.6795
46 P H -1.1899
47 G H -1.8268
48 K H -3.0241
49 E H -3.4552
50 R H -2.6597
51 E H -2.3739
52 R H -2.2301
53 V H 0.0000
54 A H 0.0000
55 S H 0.0000
56 V H 0.0000
57 T H 0.0863
58 T H -0.5428
59 G H -0.7450
62 G H -0.6618
63 G H 0.1114
64 L H 1.4129
65 T H 1.0250
66 Y H 0.7116
67 Y H -0.6595
68 A H -1.4944
69 D H -2.4035
70 S H -1.8027
71 V H 0.0000
72 K H -2.5107
74 G H -1.7788
75 R H -1.7469
76 F H 0.0000
77 T H -0.6926
78 I H 0.0000
79 S H -0.3857
80 R H -1.0777
81 D H -1.4798
82 N H -1.8831
83 T H -1.5191
84 K H -2.1020
85 N H -1.4026
86 T H 0.0000
87 V H 0.0000
88 Y H -0.2866
89 L H 0.0000
90 Q H -1.0841
91 M H 0.0000
92 N H -1.3734
93 S H -1.3373
94 L H 0.0000
95 K H -2.6635
96 P H -2.0332
97 E H -2.4031
98 D H 0.0000
99 T H -0.8674
100 A H 0.0000
101 V H -0.2374
102 Y H 0.0000
103 Y H -0.2623
104 C H 0.0000
105 N H 0.0000
106 A H 0.0000
107 W H -0.5301
108 R H -0.6517
109 T H -0.2189
110 L H 0.7179
111 G H -0.1971
112 G H -0.5671
113 A H -0.6808
114 Q H -1.4104
115 S H -1.0582
116 D H -1.2866
117 Y H -0.6670
118 W H 0.1003
119 G H 0.1152
120 Q H -0.8992
121 G H -0.3855
122 T H -0.5309
123 Q H -0.7137
124 V H 0.0000
125 T H -0.2927
126 V H 0.0000
127 S H -0.8385
128 S H -0.9292
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Laboratory of Theory of Biopolymers 2018