Project name: 8dc5167ac57be76

Status: done

Started: 2025-02-19 16:43:32
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Chain sequence(s) A: VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEGRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
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                                          (00:03:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:19)
Show buried residues

Minimal score value
-3.5884
Maximal score value
0.8731
Average score
-1.1142
Total score value
-207.232

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 V A 0.8731
2 G A 0.5544
3 S A 0.0439
4 L A 0.1060
5 N A 0.0000
6 C A 0.0000
7 I A 0.0000
8 V A 0.0000
9 A A 0.1014
10 V A 0.0000
11 S A 0.0000
12 Q A -2.1102
13 N A -1.7461
14 M A -0.7065
15 G A 0.0000
16 I A -0.1812
17 G A -1.2687
18 K A -2.6012
19 N A -2.5397
20 G A -2.0784
21 D A -2.2271
22 L A -0.1662
23 P A -1.2607
24 W A 0.0000
25 P A -0.6936
26 P A -1.0862
27 L A 0.0000
28 R A -2.7803
29 N A -2.2480
30 E A -1.9213
31 G A -2.0538
32 R A -2.9066
33 Y A 0.0000
34 F A -1.1017
35 Q A -1.8675
36 R A -1.8105
37 M A 0.0000
38 T A 0.0000
39 T A -0.9921
40 T A -0.5502
41 S A -0.6922
42 S A -0.3171
43 V A -0.3037
44 E A -1.8581
45 G A -1.7795
46 K A -1.5332
47 Q A -1.4491
48 N A 0.0000
49 L A 0.0000
50 V A 0.0000
51 I A 0.0000
52 M A 0.0000
53 G A -0.9855
54 K A -1.3849
55 K A -1.7342
56 T A -0.8300
57 W A 0.0000
58 F A 0.0251
59 S A -0.7625
60 I A -1.0640
61 P A -1.8379
62 E A -3.0840
63 K A -3.2024
64 N A -2.9543
65 R A -2.3858
66 P A -1.9542
67 L A 0.0000
68 K A -2.2099
69 G A -1.4653
70 R A 0.0000
71 I A -0.4646
72 N A 0.0000
73 L A 0.0000
74 V A 0.0000
75 L A -1.2255
76 S A -2.7225
77 R A -3.5884
78 E A -3.5016
79 L A -2.7185
80 K A -3.3191
81 E A -2.8317
82 P A -1.4887
83 P A 0.0000
84 Q A -1.9295
85 G A -1.4322
86 A A -0.8538
87 H A -0.6629
88 F A 0.2086
89 L A -0.8763
90 S A 0.0000
91 R A -3.2068
92 S A -2.1842
93 L A 0.0000
94 D A -2.7323
95 D A -2.0649
96 A A 0.0000
97 L A -1.4167
98 K A -2.7704
99 L A -1.9206
100 T A 0.0000
101 E A -2.7033
102 Q A -2.5931
103 P A -2.2294
104 E A -2.8003
105 L A 0.0000
106 A A -2.0024
107 N A -2.3383
108 K A -2.0862
109 V A 0.0000
110 D A 0.0000
111 M A 0.2496
112 V A 0.0000
113 W A 0.0000
114 I A 0.0000
115 V A 0.2005
116 G A 0.0000
117 G A -0.6087
118 S A -0.4901
119 S A -0.9837
120 V A 0.0000
121 Y A 0.0000
122 K A -2.9488
123 E A -2.8643
124 A A 0.0000
125 M A 0.0000
126 N A -2.5111
127 H A -2.1677
128 P A -1.8624
129 G A -1.9468
130 H A -2.0904
131 L A 0.0000
132 K A -0.7460
133 L A 0.0000
134 F A 0.0000
135 V A 0.0000
136 T A 0.0000
137 R A -0.8517
138 I A 0.0000
139 M A -1.3763
140 Q A -1.9033
141 D A -2.8151
142 F A -2.0736
143 E A -2.7533
144 S A -2.3186
145 D A -2.6302
146 T A -0.7616
147 F A 0.4507
148 F A 0.0000
149 P A 0.0000
150 E A -1.9318
151 I A -1.7685
152 D A -2.3301
153 L A -0.9715
154 E A -2.4106
155 K A -2.9556
156 Y A 0.0000
157 K A -1.8458
158 L A 0.0918
159 L A -0.4484
160 P A -0.9462
161 E A -1.4926
162 Y A -0.5446
163 P A -0.4731
164 G A -0.4591
165 V A -0.0994
166 L A 0.3547
167 S A -0.8702
168 D A -1.1989
169 V A -0.7359
170 Q A -1.5703
171 E A -2.9132
172 E A 0.0000
173 K A -2.8088
174 G A -2.1598
175 I A 0.0000
176 K A -2.5455
177 Y A 0.0000
178 K A -1.1947
179 F A 0.0000
180 E A -0.3954
181 V A 0.0000
182 Y A 0.0000
183 E A -1.1774
184 K A 0.0000
185 N A -3.0888
186 D A -3.1021
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Laboratory of Theory of Biopolymers 2018