Chain sequence(s) |
B: VSKGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLKFICTTGKLPVPWPTLVTTLVACFARYPDHMKQHDFFKSAMPEGYVQERTISFKDDGTYKTRAEVKFEGDTLVNRIVLKGIDFKEDGNILGHKLEYNFNSHKVYITADKQKNGIKANFKTRHNVEDGGVQLADHYQQNTPIGDGPVLLPDNHYLSHQSKLSKDPNEKRDHMVLKERVTAAGI
input PDB |
Selected Chain(s) | B |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | VK11B |
Energy difference between WT (input) and mutated protein (by FoldX) | -0.386983 kcal/mol |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:02) [INFO] runJob: Starting aggrescan3d job on: input.pdb with B chain(s) selected (00:00:02) [INFO] runJob: Creating pdb object from: input.pdb (00:00:02) [INFO] FoldX: Starting FoldX energy minimalization (00:00:02) [INFO] FoldX: Building mutant model (00:03:18) [INFO] FoldX: Starting FoldX energy minimalization (00:03:38) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:37) [CRITICAL] pyMol: Pymol encountered an error: /bin/sh: pymol: command not found Movie creation failed. (00:06:37) [INFO] Main: Simulation completed successfully. (00:06:39) |
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 | |
1 | V | B | 1.3501 | |
2 | S | B | -0.2508 | |
3 | K | B | -1.5610 | |
4 | G | B | 0.0000 | |
5 | E | B | -2.1287 | |
6 | E | B | -2.4504 | |
7 | L | B | -1.5173 | |
8 | F | B | 0.0000 | |
9 | T | B | -1.3464 | |
10 | G | B | -1.4908 | |
11 | K | B | -2.4799 | mutated: VK11B |
12 | V | B | 0.0000 | |
13 | P | B | -1.7414 | |
14 | I | B | 0.0000 | |
15 | L | B | -1.1584 | |
16 | V | B | 0.0000 | |
17 | E | B | -1.3132 | |
18 | L | B | 0.0000 | |
19 | D | B | -2.3918 | |
20 | G | B | 0.0000 | |
21 | D | B | -2.9055 | |
22 | V | B | 0.0000 | |
23 | N | B | -2.4057 | |
24 | G | B | -1.9539 | |
25 | H | B | -2.4725 | |
26 | K | B | -3.2064 | |
27 | F | B | 0.0000 | |
28 | S | B | -1.3530 | |
29 | V | B | 0.0000 | |
30 | R | B | -1.5638 | |
31 | G | B | 0.0000 | |
32 | E | B | -2.4031 | |
33 | G | B | -1.7696 | |
34 | E | B | -2.5152 | |
35 | G | B | 0.0000 | |
36 | D | B | -2.3689 | |
37 | A | B | 0.0000 | |
38 | T | B | -1.4061 | |
39 | N | B | -1.9290 | |
40 | G | B | 0.0000 | |
41 | K | B | -3.2740 | |
42 | L | B | 0.0000 | |
43 | T | B | -1.9601 | |
44 | L | B | 0.0000 | |
45 | K | B | -1.6977 | |
46 | F | B | 0.0000 | |
47 | I | B | -1.2586 | |
48 | C | B | 0.0000 | |
49 | T | B | -0.9066 | |
50 | T | B | -1.2496 | |
51 | G | B | -1.6972 | |
52 | K | B | -2.2894 | |
53 | L | B | 0.0000 | |
54 | P | B | -1.2092 | |
55 | V | B | 0.0000 | |
56 | P | B | 0.0000 | |
57 | W | B | 0.0000 | |
58 | P | B | 0.0000 | |
59 | T | B | 0.0000 | |
60 | L | B | 0.0000 | |
61 | V | B | 0.0000 | |
62 | T | B | -0.0280 | |
63 | T | B | 0.0000 | |
64 | L | B | 0.0000 | |
68 | V | B | 0.0622 | |
69 | A | B | -0.0333 | |
70 | C | B | 0.0000 | |
71 | F | B | 0.0000 | |
72 | A | B | 0.0000 | |
73 | R | B | -2.0040 | |
74 | Y | B | 0.0000 | |
75 | P | B | -1.8202 | |
76 | D | B | -2.8873 | |
77 | H | B | -2.1433 | |
78 | M | B | 0.0000 | |
79 | K | B | -2.7063 | |
80 | Q | B | -2.2542 | |
81 | H | B | -1.3569 | |
82 | D | B | 0.0000 | |
83 | F | B | 0.0000 | |
84 | F | B | 0.0000 | |
85 | K | B | 0.0000 | |
86 | S | B | -1.0875 | |
87 | A | B | 0.0000 | |
88 | M | B | 0.0000 | |
89 | P | B | -1.8088 | |
90 | E | B | -2.2493 | |
91 | G | B | 0.0000 | |
92 | Y | B | 0.0000 | |
93 | V | B | -0.7458 | |
94 | Q | B | 0.0000 | |
95 | E | B | -2.0384 | |
96 | R | B | -1.3388 | |
97 | T | B | -0.8048 | |
98 | I | B | 0.0000 | |
99 | S | B | -0.8046 | |
100 | F | B | 0.0000 | |
101 | K | B | -2.0067 | |
102 | D | B | -2.9012 | |
103 | D | B | -2.5440 | |
104 | G | B | 0.0000 | |
105 | T | B | -1.2216 | |
106 | Y | B | 0.0000 | |
107 | K | B | -1.9576 | |
108 | T | B | 0.0000 | |
109 | R | B | -2.6581 | |
110 | A | B | 0.0000 | |
111 | E | B | -1.5438 | |
112 | V | B | 0.0000 | |
113 | K | B | -1.3212 | |
114 | F | B | -1.4315 | |
115 | E | B | -1.6247 | |
116 | G | B | -1.6759 | |
117 | D | B | -2.1290 | |
118 | T | B | -1.5752 | |
119 | L | B | 0.0000 | |
120 | V | B | 0.0000 | |
121 | N | B | 0.0000 | |
122 | R | B | -1.4882 | |
123 | I | B | 0.0000 | |
124 | V | B | -1.2536 | |
125 | L | B | 0.0000 | |
126 | K | B | -2.8115 | |
127 | G | B | 0.0000 | |
128 | I | B | -1.4277 | |
129 | D | B | -2.5008 | |
130 | F | B | 0.0000 | |
131 | K | B | -3.9560 | |
132 | E | B | -3.9089 | |
133 | D | B | -3.4520 | |
134 | G | B | -2.7427 | |
135 | N | B | -2.1581 | |
136 | I | B | 0.0000 | |
137 | L | B | -1.7996 | |
138 | G | B | -1.9620 | |
139 | H | B | -1.5906 | |
140 | K | B | -2.1040 | |
141 | L | B | -1.7159 | |
142 | E | B | -2.0353 | |
143 | Y | B | -0.7186 | |
144 | N | B | -1.0356 | |
145 | F | B | -1.3286 | |
146 | N | B | -1.6487 | |
147 | S | B | -1.9095 | |
148 | H | B | -1.8362 | |
149 | K | B | -1.9197 | |
150 | V | B | 0.0000 | |
151 | Y | B | 0.1683 | |
152 | I | B | 0.0000 | |
153 | T | B | -1.1197 | |
154 | A | B | -1.7761 | |
155 | D | B | 0.0000 | |
156 | K | B | -3.1433 | |
157 | Q | B | -2.9917 | |
158 | K | B | -3.1508 | |
159 | N | B | -2.7891 | |
160 | G | B | 0.0000 | |
161 | I | B | 0.0000 | |
162 | K | B | -1.5152 | |
163 | A | B | 0.0000 | |
164 | N | B | -0.8308 | |
165 | F | B | 0.0000 | |
166 | K | B | -2.0534 | |
167 | T | B | 0.0000 | |
168 | R | B | -2.1825 | |
169 | H | B | 0.0000 | |
170 | N | B | -1.8871 | |
171 | V | B | 0.0000 | |
172 | E | B | -3.3871 | |
173 | D | B | -3.1590 | |
174 | G | B | -2.1088 | |
175 | G | B | -1.3873 | |
176 | V | B | -1.0461 | |
177 | Q | B | 0.0000 | |
178 | L | B | -1.3669 | |
179 | A | B | 0.0000 | |
180 | D | B | -1.1292 | |
181 | H | B | 0.0000 | |
182 | Y | B | 0.2238 | |
183 | Q | B | 0.0000 | |
184 | Q | B | -1.5461 | |
185 | N | B | 0.0000 | |
186 | T | B | -0.9565 | |
187 | P | B | -0.8320 | |
188 | I | B | -0.2773 | |
189 | G | B | -1.2540 | |
190 | D | B | -2.1840 | |
191 | G | B | -1.1965 | |
192 | P | B | -0.7510 | |
193 | V | B | -0.2501 | |
194 | L | B | -0.1099 | |
195 | L | B | -0.6798 | |
196 | P | B | 0.0000 | |
197 | D | B | -2.0311 | |
198 | N | B | -1.3569 | |
199 | H | B | 0.0000 | |
200 | Y | B | 0.0714 | |
201 | L | B | 0.0000 | |
202 | S | B | -1.2655 | |
203 | H | B | -1.7676 | |
204 | Q | B | -2.8281 | |
205 | S | B | -2.3257 | |
206 | K | B | -2.5269 | |
207 | L | B | -1.2804 | |
208 | S | B | -1.3081 | |
209 | K | B | -2.0227 | |
210 | D | B | -2.0973 | |
211 | P | B | -1.7277 | |
212 | N | B | -2.4197 | |
213 | E | B | -2.6535 | |
214 | K | B | -3.2937 | |
215 | R | B | -3.3889 | |
216 | D | B | -2.3763 | |
217 | H | B | 0.0000 | |
218 | M | B | 0.0000 | |
219 | V | B | -1.2050 | |
220 | L | B | 0.0000 | |
221 | K | B | -2.4631 | |
222 | E | B | -2.4968 | |
223 | R | B | -3.0552 | |
224 | V | B | 0.0000 | |
225 | T | B | -1.3157 | |
226 | A | B | 0.0000 | |
227 | A | B | -0.0405 | |
228 | G | B | 0.2217 | |
229 | I | B | 0.9286 |