Project name: 62e651af9f28016

Status: done

Started: 2026-04-20 08:40:52
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Chain sequence(s) D: EVQLVESGGGLVQPGGSLRLSCAASGSVPFSSFSSMGWFRQAPGKGRELVAYITSSSTYYADSVKGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAGYAAVFDYWGQGTQVTVSS
input PDB
Selected Chain(s) D
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with D chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)
Show buried residues

Minimal score value
-2.9812
Maximal score value
1.7283
Average score
-0.7209
Total score value
-84.3444

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 D -2.0495
2 V D -1.4029
3 Q D -1.2424
4 L D 0.0000
5 V D 0.6377
6 E D -0.1800
7 S D -0.5777
8 G D -1.0523
9 G D -0.7984
10 G D -0.0352
11 L D 0.9935
12 V D -0.0917
13 Q D -1.4434
14 P D -1.8989
15 G D -1.6762
16 G D -1.2172
17 S D -1.5676
18 L D -1.0162
19 R D -2.1465
20 L D 0.0000
21 S D -0.4345
22 C D 0.0000
23 A D -0.4793
24 A D 0.0000
25 S D -0.9543
26 G D -1.3033
27 S D -0.9205
28 V D -0.4182
29 P D -0.6135
30 F D 0.0000
31 S D -1.0175
32 S D -0.2412
33 F D 0.0000
34 S D 0.2324
35 S D 0.0000
36 M D 0.0000
37 G D 0.0000
38 W D 0.0000
39 F D -0.2074
40 R D 0.0000
41 Q D -1.9391
42 A D -1.8749
43 P D -1.2592
44 G D -1.7261
45 K D -2.8533
46 G D -2.5634
47 R D -2.6895
48 E D -2.0198
49 L D -0.1552
50 V D 0.0000
51 A D 0.0000
52 Y D 0.6273
53 I D 0.2835
54 T D 0.0451
55 S D -0.4139
56 S D -0.3426
57 S D -0.0073
58 T D 0.3671
59 Y D 0.5223
60 Y D -0.4158
61 A D -1.1381
62 D D -2.4076
63 S D -1.7748
64 V D 0.0000
65 K D -2.5192
66 G D -1.8682
67 R D -1.8194
68 F D 0.0000
69 T D -0.8720
70 I D 0.0000
71 S D -0.4037
72 R D -1.2657
73 D D -2.0433
74 N D -2.6738
75 A D -2.0043
76 K D -2.9159
77 R D -2.9812
78 M D -1.5306
79 V D 0.0000
80 Y D -0.5455
81 L D 0.0000
82 Q D -1.5121
83 M D 0.0000
84 N D -2.2170
85 S D -1.6746
86 L D 0.0000
87 R D -2.9157
88 A D -1.9755
89 E D -2.4274
90 D D 0.0000
91 T D -0.9671
92 A D 0.0000
93 V D -0.6050
94 Y D 0.0000
95 Y D -0.3154
96 C D 0.0000
97 A D 0.0000
98 A D 0.0000
99 G D 0.0000
100 Y D 1.1195
101 A D 1.0055
102 A D 1.0455
103 V D 1.7283
104 F D 0.5975
105 D D -0.8262
106 Y D -0.3778
107 W D -0.0774
108 G D -0.2210
109 Q D -0.9791
110 G D -0.6132
111 T D -0.8140
112 Q D -1.0523
113 V D 0.0000
114 T D -0.3798
115 V D 0.0000
116 S D -0.8460
117 S D -0.7438
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Laboratory of Theory of Biopolymers 2018