Project name: wild type sod1

Status: done

Started: 2026-06-15 11:06:20
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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                                          (00:02:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:03)
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
1 A F -1.5449
2 T F -1.1369
3 K F -0.7660
4 A F 0.0000
5 V F 1.3455
6 C F 0.0000
7 V F 1.5262
8 L F 0.0000
9 K F -2.0017
10 G F -2.2724
11 D F -2.6732
12 G F -2.1057
13 P F -2.1546
14 V F 0.0000
15 Q F -1.7667
16 G F 0.0000
17 I F 1.3750
18 I F 0.0000
19 N F 0.1276
20 F F 0.0000
21 E F -1.7446
22 Q F 0.0000
23 K F -3.1545
24 E F -3.2744
25 S F -2.2577
26 N F -2.3373
27 G F -2.1731
28 P F -1.7834
29 V F 0.0000
30 K F -2.1235
31 V F 0.0000
32 W F -0.5218
33 G F -0.1063
34 S F -0.7428
35 I F 0.0000
36 K F -2.2323
37 G F -2.1081
38 L F 0.0000
39 T F -2.2316
40 E F -3.1491
41 G F -1.2382
42 L F -0.0463
43 H F 0.0000
44 G F 0.0000
45 F F 0.0000
46 H F 0.0000
47 V F 0.0000
48 H F 0.0000
49 E F -0.0856
50 F F 0.7451
51 G F -0.0809
52 D F -0.8133
53 N F -0.8891
54 T F -0.7433
55 A F -0.4622
56 G F -0.8829
57 C F -0.5256
58 T F -0.3760
59 S F -0.4243
60 A F 0.0000
61 G F -0.1566
62 P F -0.3747
63 H F 0.0000
64 F F 0.0000
65 N F -0.8147
66 P F -0.4802
67 L F -0.0355
68 S F -1.0650
69 R F -2.9186
70 K F -3.1983
71 H F 0.0000
72 G F 0.0000
73 G F 0.0000
74 P F -1.7861
75 K F -2.7750
76 D F -3.2095
77 E F -3.6596
78 E F -3.5525
79 R F 0.0000
80 H F 0.0000
81 V F 0.0000
82 G F 0.0000
83 D F 0.0000
84 L F 0.0000
85 G F 0.0000
86 N F -0.0993
87 V F 0.0000
88 T F -0.8859
89 A F 0.0000
90 D F -3.7296
91 K F -3.8791
92 D F -3.6222
93 G F 0.0000
94 V F -2.4087
95 A F 0.0000
96 D F -2.0833
97 V F 0.0000
98 S F -1.0290
99 I F -1.1553
100 E F -2.1386
101 D F 0.0000
102 S F -0.8758
103 V F -0.1141
104 I F 0.0000
105 S F -0.9022
106 L F 0.0000
107 S F -1.0821
108 G F -1.4256
109 D F -2.1418
110 H F -0.9590
111 C F -0.7216
112 I F 0.0000
113 I F 0.6173
114 G F 0.3047
115 R F -0.0001
116 T F 0.0000
117 L F 0.0000
118 V F 0.0000
119 V F 0.0000
120 H F 0.0000
121 E F -2.0828
122 K F -1.8612
123 A F -0.7088
124 D F 0.0000
125 D F -1.4759
126 L F -1.1919
127 G F 0.0000
128 K F -2.6047
129 G F -2.3780
130 G F -2.2926
131 N F -3.0234
132 E F -3.6539
133 E F -3.6178
134 S F 0.0000
135 T F -3.2033
136 K F -3.1264
137 T F -1.8183
138 G F 0.0000
139 N F -2.0917
140 A F 0.0000
141 G F -1.3503
142 S F -1.2295
143 R F -1.2078
144 L F -1.5004
145 A F 0.0000
146 C F 0.0000
147 G F 0.0000
148 V F 1.1801
149 I F 0.0000
150 G F 1.1481
151 I F 1.8011
152 A F 0.2309
153 Q F -0.8464
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Laboratory of Theory of Biopolymers 2018