Project name: 6556cebfc8c81b4

Status: done

Started: 2026-05-20 05:10:38
Settings
Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGTGYSNPMGWFRQAPGKGRELVAAIEGSSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAYAHKLPSRISFDKFFEAAAKDPSVFAFWGQGTQVTVSS
input PDB
Selected Chain(s) A
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 A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:05)
Show buried residues

Minimal score value
-2.8841
Maximal score value
0.8639
Average score
-0.9128
Total score value
-121.396

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 A -2.1448
2 V A 0.0000
3 Q A -1.4799
4 L A 0.0000
5 V A 0.5179
6 E A 0.0000
7 S A -0.6945
8 G A -0.9754
9 G A -0.7998
10 G A -0.0996
11 L A 0.8639
12 V A 0.0000
13 Q A -1.4545
14 P A -1.6480
15 G A -1.3993
16 G A -0.9477
17 S A -1.1332
18 L A -0.9775
19 R A -2.2680
20 L A 0.0000
21 S A -0.5059
22 C A 0.0000
23 A A -0.2548
24 A A 0.0000
25 S A -1.0662
26 G A -1.2238
27 T A -0.8463
28 G A -0.9595
29 Y A -0.7093
30 S A -0.9964
31 N A 0.0000
32 P A 0.0000
33 M A 0.0000
34 G A 0.0000
35 W A 0.0000
36 F A 0.0000
37 R A 0.0000
38 Q A -1.5715
39 A A -1.5593
40 P A -1.1769
41 G A -1.6446
42 K A -2.6287
43 G A -2.2852
44 R A -2.2507
45 E A -2.1055
46 L A 0.0000
47 V A 0.0000
48 A A 0.0000
49 A A 0.0000
50 I A 0.0000
51 E A -0.9611
52 G A -0.9362
53 S A -0.6422
54 S A -0.6344
55 T A -0.3965
56 Y A -0.9772
57 Y A -1.2600
58 P A -1.6718
59 D A -2.5608
60 S A -1.8076
61 V A 0.0000
62 E A -2.7172
63 G A -1.8125
64 R A -1.5345
65 F A 0.0000
66 T A -0.9856
67 I A 0.0000
68 S A -0.6550
69 R A -1.4129
70 D A -2.0513
71 N A -2.3016
72 A A -1.7767
73 K A -2.6473
74 R A -2.2667
75 M A -1.2553
76 V A 0.0000
77 Y A -0.7341
78 L A 0.0000
79 Q A -1.6249
80 M A 0.0000
81 N A -1.3512
82 S A -1.1304
83 L A 0.0000
84 R A -2.2629
85 A A -1.7323
86 E A -2.2300
87 D A 0.0000
88 T A -0.8626
89 A A 0.0000
90 V A -0.4130
91 Y A 0.0000
92 Y A -0.2501
93 C A 0.0000
94 A A 0.0000
95 A A 0.0000
96 Y A -0.2262
97 A A -0.7556
98 H A -1.7315
99 K A -2.2654
100 L A -1.3555
101 P A -1.2896
102 S A -1.2843
103 R A -1.8644
104 I A -1.3652
105 S A -1.6639
106 F A -1.6937
107 D A -2.7870
108 K A -2.8728
109 F A 0.0000
110 F A 0.0000
111 E A -2.8841
112 A A -2.0558
113 A A 0.0000
114 A A -2.0547
115 K A -2.7551
116 D A -2.2069
117 P A -1.2349
118 S A -0.4900
119 V A 0.0613
120 F A 0.0000
121 A A 0.0887
122 F A 0.0111
123 W A 0.1123
124 G A -0.2909
125 Q A -0.9646
126 G A -0.5851
127 T A 0.0000
128 Q A -0.9887
129 V A 0.0000
130 T A -0.3798
131 V A 0.0000
132 S A -0.8080
133 S A -0.5348
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018