Project name: ea7df0175c8ce34

Status: done

Started: 2026-04-27 14:20:45
Settings
Chain sequence(s) B: EVQLVEDGGGVVQPGGSLRLSCAASGRTFDNLAMGWFRQAPGKEREFVAGITWRGGSTHYADSVKGRFTISRDNAKNTLYLQMNSLRPEDTALYYCTADLRPFGPITTTPQRINYWGQGTLVTVSS
input PDB
Selected Chain(s) B
Distance of aggregation 10 Å
FoldX usage No
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 B chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)
Show buried residues

Minimal score value
-3.2621
Maximal score value
1.7073
Average score
-0.8239
Total score value
-103.8138

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
2 E B -2.0632
3 V B -1.7436
4 Q B -1.2624
5 L B 0.0000
6 V B 0.7073
7 E B -0.3854
8 D B -1.7996
9 G B -1.5906
10 G B -0.2939
11 G B 0.7980
12 V B 1.7073
13 V B 0.0443
14 Q B -1.3387
15 P B -1.7651
16 G B -1.5856
17 G B -1.2439
18 S B -1.3973
19 L B -0.9197
20 R B -2.3557
21 L B 0.0000
22 S B -0.9778
23 C B 0.0000
24 A B -0.3526
25 A B -0.7910
26 S B -1.1644
27 G B -1.8945
28 R B -2.6431
29 T B -1.7844
30 F B 0.0000
31 D B -2.2460
32 N B -1.9353
33 L B 0.0000
34 A B 0.0000
35 M B 0.0000
36 G B 0.0000
37 W B 0.0000
38 F B 0.0000
39 R B 0.0000
40 Q B -1.2753
41 A B -1.5105
42 P B -1.3327
43 G B -1.8835
44 K B -3.1927
45 E B -3.2621
46 R B -2.3597
47 E B -1.8019
48 F B -0.7676
49 V B 0.0000
50 A B 0.0000
51 G B 0.0000
52 I B 0.0000
53 T B 0.0000
54 W B -0.6569
55 R B -1.9489
56 G B -1.1945
57 G B -0.9037
58 S B -0.5516
59 T B -0.3176
60 H B -1.0508
61 Y B -1.0570
62 A B -1.4599
63 D B -2.5853
64 S B -1.8309
65 V B 0.0000
66 K B -2.7468
67 G B -1.7911
68 R B -1.5996
69 F B 0.0000
70 T B -0.9340
71 I B 0.0000
72 S B -0.4918
73 R B -1.1366
74 D B -1.6107
75 N B -2.0216
76 A B -1.2794
77 K B -2.3137
78 N B -1.8771
79 T B -0.8576
80 L B 0.0000
81 Y B -0.8081
82 L B 0.0000
83 Q B -1.3207
84 M B 0.0000
85 N B -1.6305
86 S B -1.4687
87 L B 0.0000
88 R B -2.9808
89 P B -2.1774
90 E B -2.5414
91 D B 0.0000
92 T B -0.4471
93 A B 0.0000
94 L B 0.7443
95 Y B 0.0000
96 Y B 0.0000
97 C B 0.0000
98 T B 0.0000
99 A B 0.0000
100 D B 0.0000
101 L B 0.2793
102 R B -1.0382
103 P B -0.1517
104 F B 1.1911
105 G B 0.0734
106 P B -0.2565
107 I B -0.2117
108 T B 0.0000
109 T B -0.6268
110 T B -1.2336
111 P B -1.7314
112 Q B -2.3057
113 R B -2.5544
114 I B 0.0000
115 N B -1.4432
116 Y B -0.5159
117 W B -0.0584
118 G B 0.0000
119 Q B -0.8764
120 G B -0.2189
121 T B 0.1580
122 L B 1.5556
123 V B 0.0000
124 T B 0.4213
125 V B 0.0000
126 S B -0.8200
127 S B -0.9393
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018