Project name: wild type sod1

Status: done

Started: 2026-06-16 05:09:41
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Chain sequence(s) F: AATTKAVCVLKGGDDGGPPVVQGIINFEQKESNGPVKKVWGSIKGLTEGLHGFHVHEFGDNNTAGCTSAGPHFNPLSSRKHGGPKDEEERHVGDLGNVTADKDGVADDVSIEEDSVISLSSGGDDHCCIIGRTLVVHEKKADDLGKKGGNNEEESTKTGNAGSRLACGVIGIAQ
input PDB
Selected Chain(s) F
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 F 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                                          (00:02:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:01)
Show buried residues

Minimal score value
-3.8791
Maximal score value
1.8011
Average score
-0.8959
Total score value
-137.0734

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 A F -1.5449
3 T F -1.1369
4 K F -0.7660
5 A F 0.0000
6 V F 1.3455
7 C F 0.0000
8 V F 1.5262
9 L F 0.0000
10 K F -2.0017
11 G F -2.2724
12 D F -2.6732
13 G F -2.1057
14 P F -2.1546
15 V F 0.0000
16 Q F -1.7667
17 G F 0.0000
18 I F 1.3750
19 I F 0.0000
20 N F 0.1276
21 F F 0.0000
22 E F -1.7446
23 Q F 0.0000
24 K F -3.1545
25 E F -3.2744
26 S F -2.2577
27 N F -2.3373
28 G F -2.1731
29 P F -1.7834
30 V F 0.0000
31 K F -2.1235
32 V F 0.0000
33 W F -0.5218
34 G F -0.1063
35 S F -0.7428
36 I F 0.0000
37 K F -2.2323
38 G F -2.1081
39 L F 0.0000
40 T F -2.2316
41 E F -3.1491
42 G F -1.2382
43 L F -0.0463
44 H F 0.0000
45 G F 0.0000
46 F F 0.0000
47 H F 0.0000
48 V F 0.0000
49 H F 0.0000
50 E F -0.0856
51 F F 0.7451
52 G F -0.0809
53 D F -0.8133
54 N F -0.8891
55 T F -0.7433
56 A F -0.4622
57 G F -0.8829
58 C F -0.5256
59 T F -0.3760
60 S F -0.4243
61 A F 0.0000
62 G F -0.1566
63 P F -0.3747
64 H F 0.0000
65 F F 0.0000
66 N F -0.8147
67 P F -0.4802
68 L F -0.0355
69 S F -1.0650
70 R F -2.9186
71 K F -3.1983
72 H F 0.0000
73 G F 0.0000
74 G F 0.0000
75 P F -1.7861
76 K F -2.7750
77 D F -3.2095
78 E F -3.6596
79 E F -3.5525
80 R F 0.0000
81 H F 0.0000
82 V F 0.0000
83 G F 0.0000
84 D F 0.0000
85 L F 0.0000
86 G F 0.0000
87 N F -0.0993
88 V F 0.0000
89 T F -0.8859
90 A F 0.0000
91 D F -3.7296
92 K F -3.8791
93 D F -3.6222
94 G F 0.0000
95 V F -2.4087
96 A F 0.0000
97 D F -2.0833
98 V F 0.0000
99 S F -1.0290
100 I F -1.1553
101 E F -2.1386
102 D F 0.0000
103 S F -0.8758
104 V F -0.1141
105 I F 0.0000
106 S F -0.9022
107 L F 0.0000
108 S F -1.0821
109 G F -1.4256
110 D F -2.1418
111 H F -0.9590
112 C F -0.7216
113 I F 0.0000
114 I F 0.6173
115 G F 0.3047
116 R F -0.0001
117 T F 0.0000
118 L F 0.0000
119 V F 0.0000
120 V F 0.0000
121 H F 0.0000
122 E F -2.0828
123 K F -1.8612
124 A F -0.7088
125 D F 0.0000
126 D F -1.4759
127 L F -1.1919
128 G F 0.0000
129 K F -2.6047
130 G F -2.3780
131 G F -2.2926
132 N F -3.0234
133 E F -3.6539
134 E F -3.6178
135 S F 0.0000
136 T F -3.2033
137 K F -3.1264
138 T F -1.8183
139 G F 0.0000
140 N F -2.0917
141 A F 0.0000
142 G F -1.3503
143 S F -1.2295
144 R F -1.2078
145 L F -1.5004
146 A F 0.0000
147 C F 0.0000
148 G F 0.0000
149 V F 1.1801
150 I F 0.0000
151 G F 1.1481
152 I F 1.8011
153 A F 0.2309
154 Q F -0.8464
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Laboratory of Theory of Biopolymers 2018