Project name: 7808a3115c4d2ef

Status: done

Started: 2026-04-22 08:38:52
Settings
Chain sequence(s) D: EVQLVESGGGLAKPAWSPRLSCAASGSRFSAYAMGWVRQAPGKGLEWVGTITNGGSTNYADSVKGRFNTSRDNAKNTLHLQMNSLKTEDTALYYCNQGGYARGYWGQGTLVTVSS
input PDB
Selected Chain(s) D
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with D chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)
Show buried residues

Minimal score value
-2.9323
Maximal score value
1.3667
Average score
-0.6453
Total score value
-74.2046

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 D -2.1709
3 V D -1.3172
4 Q D -1.1281
5 L D 0.0000
6 V D 1.1280
7 E D 0.3871
8 S D -0.2899
9 G D -1.1203
10 G D -0.2067
11 G D 0.3138
12 L D 1.2500
13 A D 0.0000
14 K D -1.2193
15 P D -1.1167
16 A D -0.3933
17 W D 0.3580
18 S D -0.6858
19 P D -1.0189
20 R D -2.5226
21 L D 0.0000
22 S D -0.6076
23 C D 0.0000
24 A D -0.1794
25 A D -0.7874
26 S D -1.3937
27 G D -1.8307
28 S D -1.6218
29 R D -2.0007
30 F D 0.0000
31 S D -1.1317
32 A D -0.4878
33 Y D 0.1320
34 A D -0.1485
35 M D 0.0000
36 G D 0.0000
37 W D 0.0000
38 V D 0.0000
39 R D 0.0000
40 Q D -0.3107
41 A D -0.9201
42 P D -1.0885
43 G D -1.4210
44 K D -2.0905
45 G D -0.9767
46 L D 0.5342
47 E D -0.1669
48 W D 0.6626
49 V D 0.0000
50 G D 0.0000
51 T D -0.5979
52 I D 0.0000
53 T D -0.9726
54 N D -1.6261
55 G D -1.4546
56 G D -1.1011
57 S D -1.0500
58 T D -1.2052
59 N D -1.7751
60 Y D -1.5192
61 A D -1.5237
62 D D -2.5725
63 S D -1.7520
64 V D 0.0000
65 K D -2.9323
66 G D -1.9560
67 R D -1.6119
68 F D 0.0000
69 N D -2.2576
70 T D 0.0000
71 S D -0.9040
72 R D -1.3108
73 D D -1.7788
74 N D -2.1448
75 A D -1.4553
76 K D -2.3595
77 N D -2.2169
78 T D -1.1316
79 L D 0.0000
80 H D -1.0829
81 L D 0.0000
82 Q D -1.8504
83 M D 0.0000
84 N D -1.3476
85 S D -0.7260
86 L D 0.0000
87 K D -2.0606
88 T D -1.8187
89 E D -2.2860
90 D D 0.0000
91 T D -0.4633
92 A D 0.0000
93 L D 0.8419
94 Y D 0.0000
95 Y D 0.5235
96 C D 0.0000
97 N D 0.0000
98 Q D 0.0000
99 G D 0.0899
100 G D -0.0918
101 Y D 0.8925
102 A D -0.2144
103 R D -1.3292
104 G D 0.0593
105 Y D 1.0349
106 W D 0.7262
107 G D 0.0000
108 Q D -0.7250
109 G D 0.0682
110 T D 0.4511
111 L D 1.3667
112 V D 0.0000
113 T D 0.1840
114 V D 0.0000
115 S D -0.8753
116 S D -0.7744
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Laboratory of Theory of Biopolymers 2018