Project name: 5aa13bc8e50b46a

Status: done

Started: 2026-04-20 08:46:41
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Chain sequence(s) C: EVQLVESGGGLVQPGGSLRLSCAASQSVNAMGWFRQAPGKGRELVAAIVGSYTYSKGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAASTNAVAALASIDDTSAYDYWGQGTQVTVSS
input PDB
Selected Chain(s) C
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 C 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                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)
Show buried residues

Minimal score value
-2.9976
Maximal score value
1.8048
Average score
-0.7055
Total score value
-83.9523

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 C -2.3587
2 V C -1.7778
3 Q C -1.3947
4 L C 0.0000
5 V C 1.1295
6 E C 0.2129
7 S C -0.3598
8 G C -0.8703
9 G C -0.6105
10 G C 0.2630
11 L C 1.1003
12 V C -0.0317
13 Q C -1.3852
14 P C -1.8582
15 G C -1.4575
16 G C -1.1623
17 S C -1.2130
18 L C -0.8792
19 R C -1.8331
20 L C 0.0000
21 S C -0.3341
22 C C 0.0000
23 A C -0.4308
24 A C 0.0000
25 S C -1.4228
26 Q C -1.9924
27 S C -1.6971
28 V C 0.0000
29 N C -1.6154
30 A C 0.0000
31 M C 0.0000
32 G C 0.0000
33 W C 0.0000
34 F C 0.0000
35 R C -1.2093
36 Q C -1.6711
37 A C -1.6474
38 P C -1.1740
39 G C -1.6372
40 K C -2.6777
41 G C -2.2071
42 R C -2.4092
43 E C -2.3297
44 L C 0.0000
45 V C 0.0000
46 A C 0.0000
47 A C 0.0000
48 I C 0.0000
49 V C 0.0000
50 G C -0.7246
51 S C -0.1721
52 Y C 0.9987
53 T C 0.4285
54 Y C 0.2284
55 S C -0.8028
56 K C -1.6033
57 G C -1.3651
58 R C -1.2926
59 F C 0.0000
60 T C -0.8509
61 I C 0.0000
62 S C -0.5794
63 R C -1.4947
64 D C -2.0612
65 N C -2.7762
66 A C -1.9533
67 K C -2.9662
68 R C -2.9976
69 M C -1.4681
70 V C 0.0000
71 Y C -0.5791
72 L C 0.0000
73 Q C -1.2677
74 M C 0.0000
75 N C -1.4200
76 S C -1.2481
77 L C 0.0000
78 R C -2.4440
79 A C -1.7701
80 E C -2.2677
81 D C 0.0000
82 T C -0.8140
83 A C 0.0000
84 V C -0.3607
85 Y C 0.0000
86 Y C -0.2718
87 C C 0.0000
88 A C 0.0000
89 A C 0.0000
90 S C 0.0000
91 T C -1.1338
92 N C -0.7933
93 A C 0.2604
94 V C 1.7571
95 A C 0.8140
96 A C 0.0000
97 L C 1.8048
98 A C 0.7634
99 S C -0.1167
100 I C -0.0211
101 D C -1.6164
102 D C -2.1717
103 T C -1.5314
104 S C -1.1559
105 A C 0.0000
106 Y C 0.0000
107 D C -2.0107
108 Y C -1.0375
109 W C -0.1938
110 G C -0.1434
111 Q C -0.9690
112 G C -0.4875
113 T C -0.5835
114 Q C -0.7914
115 V C 0.0000
116 T C -0.2216
117 V C 0.0000
118 S C -0.8243
119 S C -0.7117
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Laboratory of Theory of Biopolymers 2018