Project name: c68014be10cd137

Status: done

Started: 2026-07-08 15:51:42
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Chain sequence(s) A: GADLALVGVHRIDLSDPADIARLRADMARIAAGSLATAAAAAAAGYTVRWMGLVIRPRGQPPRWIGLDAVPASAEELRALIDAALAADFAAPPASAAMPAALRAAVEAVAADLPSPTLLVFVDGELAVAVPGLPSPAALVAAL
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             (00:00:00)
[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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)
Show buried residues

Minimal score value
-2.8905
Maximal score value
0.898
Average score
-0.5518
Total score value
-78.9055

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 G A -0.8509
2 A A -1.1423
3 D A -1.7015
4 L A 0.0000
5 A A 0.0000
6 L A 0.0000
7 V A 0.0000
8 G A 0.1198
9 V A 0.0000
10 H A 0.0000
11 R A -2.3889
12 I A -1.7232
13 D A -1.6006
14 L A -1.2748
15 S A -1.0129
16 D A -1.1508
17 P A -0.9107
18 A A -0.9963
19 D A -1.5835
20 I A -0.9213
21 A A -1.2589
22 R A -2.1779
23 L A 0.0000
24 R A -1.7259
25 A A -1.2139
26 D A 0.0000
27 M A 0.0000
28 A A -1.4486
29 R A -1.7538
30 I A -0.7496
31 A A 0.0000
32 A A -0.7656
33 G A -0.2938
34 S A 0.0866
35 L A 0.2675
36 A A 0.1501
37 T A 0.0000
38 A A 0.0000
39 A A 0.3001
40 A A 0.1647
41 A A 0.0000
42 A A -0.0298
43 A A 0.0437
44 A A -0.0092
45 G A -0.4970
46 Y A -0.3215
47 T A -0.7273
48 V A -0.8118
49 R A -2.0713
50 W A 0.0000
51 M A 0.0000
52 G A -0.1754
53 L A 0.0000
54 V A 0.0000
55 I A 0.0000
56 R A -2.2090
57 P A 0.0000
58 R A -2.8905
59 G A -2.0067
60 Q A -2.0524
61 P A -1.3467
62 P A -1.4193
63 R A -0.9106
64 W A 0.0000
65 I A 0.2363
66 G A -0.1073
67 L A -0.4640
68 D A -1.8405
69 A A -0.6555
70 V A 0.4346
71 P A 0.0000
72 A A -0.2412
73 S A -0.9886
74 A A -1.6339
75 E A -2.6691
76 E A -2.2959
77 L A 0.0000
78 R A -2.3679
79 A A -1.3188
80 L A -0.3340
81 I A 0.0000
82 D A -1.2320
83 A A -0.4332
84 A A -0.5316
85 L A 0.0000
86 A A -0.6025
87 A A -0.8636
88 D A -1.8227
89 F A 0.0000
90 A A -0.6240
91 A A -0.3764
92 P A -0.2469
93 P A -0.1680
94 A A -0.1157
95 S A 0.0000
96 A A -0.0899
97 A A -0.2520
98 M A 0.0000
99 P A -0.3687
100 A A -0.1417
101 A A -0.4779
102 L A 0.0000
103 R A -0.6901
104 A A -0.2916
105 A A -0.4277
106 V A 0.0000
107 E A -0.5805
108 A A -0.1954
109 V A 0.1875
110 A A 0.0000
111 A A -1.0445
112 D A -1.5254
113 L A -0.8008
114 P A -0.8761
115 S A -1.0191
116 P A -0.3843
117 T A 0.0000
118 L A 0.4191
119 L A 0.0000
120 V A 0.0000
121 F A 0.0000
122 V A -1.3230
123 D A -2.7880
124 G A -2.1699
125 E A -2.1935
126 L A -0.5109
127 A A -0.0563
128 V A 0.6372
129 A A 0.5582
130 V A 0.4381
131 P A 0.0730
132 G A 0.0119
133 L A 0.3983
134 P A 0.1121
135 S A 0.0254
136 P A 0.1126
137 A A 0.1008
138 A A 0.1698
139 L A 0.0000
140 V A 0.4836
141 A A 0.3827
142 A A 0.5476
143 L A 0.8980
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Laboratory of Theory of Biopolymers 2018