Project name: 8c2c487bb185328

Status: done

Started: 2026-04-20 08:48:37
Settings
Chain sequence(s) C: EVQLVESGGGLVQPGGSLRLSCAASQSVNAMGWFRQAPGKGRELVAYIVGSYTYNRGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAASTNAVVALLGRFNEEAFDYWGQGTQVTVSS
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
-2.8275
Maximal score value
2.175
Average score
-0.6923
Total score value
-82.3827

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 -2.2222
2 V C 0.0000
3 Q C -1.4949
4 L C 0.0000
5 V C 1.0705
6 E C 0.0000
7 S C -0.4726
8 G C -1.0517
9 G C -0.7973
10 G C 0.0517
11 L C 0.8858
12 V C 0.0000
13 Q C -1.4057
14 P C -1.6110
15 G C -1.3770
16 G C -0.9720
17 S C -1.4265
18 L C -1.1921
19 R C -2.2950
20 L C 0.0000
21 S C -0.4508
22 C C 0.0000
23 A C -0.3386
24 A C 0.0000
25 S C -1.3292
26 Q C -1.6732
27 S C -1.4885
28 V C 0.0000
29 N C -1.6161
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 -1.1948
36 Q C -1.8000
37 A C -1.7329
38 P C -1.2162
39 G C -1.7102
40 K C -2.7646
41 G C -2.4075
42 R C -2.5873
43 E C -2.1051
44 L C -1.1411
45 V C 0.0000
46 A C 0.0000
47 Y C 0.0000
48 I C 0.0000
49 V C 0.0000
50 G C -0.6791
51 S C -0.0587
52 Y C 0.7720
53 T C 0.2237
54 Y C -0.4822
55 N C -1.5334
56 R C -2.2628
57 G C -1.8224
58 R C -1.8084
59 F C 0.0000
60 T C -1.3344
61 I C 0.0000
62 S C -0.7121
63 R C -1.4587
64 D C -2.0046
65 N C -2.7186
66 A C -1.8854
67 K C -2.8275
68 R C -2.6833
69 M C -1.3567
70 V C 0.0000
71 Y C -0.7246
72 L C 0.0000
73 Q C -1.7053
74 M C 0.0000
75 N C -1.6385
76 S C -1.2559
77 L C 0.0000
78 R C -2.2643
79 A C -1.7114
80 E C -2.2177
81 D C 0.0000
82 T C -0.8438
83 A C 0.0000
84 V C -0.3580
85 Y C 0.0000
86 Y C -0.1874
87 C C 0.0000
88 A C 0.0000
89 A C 0.0000
90 S C 0.0000
91 T C -1.0422
92 N C -0.6649
93 A C 0.5321
94 V C 2.1750
95 V C 1.7596
96 A C 0.0000
97 L C 2.1745
98 L C 1.9141
99 G C 0.0000
100 R C -0.3662
101 F C 1.0521
102 N C -0.5168
103 E C -1.9824
104 E C -2.2051
105 A C 0.0000
106 F C 0.0000
107 D C -2.2868
108 Y C -1.2095
109 W C -0.1670
110 G C -0.1354
111 Q C -0.8091
112 G C 0.0000
113 T C -0.6370
114 Q C -0.9211
115 V C 0.0000
116 T C -0.3110
117 V C 0.0000
118 S C -0.8001
119 S C -0.5299
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018