Chain sequence(s) |
A: MSKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFVQCFSRYPDHMKRHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNFNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGI
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
pH calculations | No |
alphaCutter usage | No |
Dynamic mode | No |
Automated mutations | No |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:01) [INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01) [INFO] runJob: Creating pdb object from: input.pdb (00:00:01) [INFO] FoldX: Starting FoldX energy minimization (00:00:01) [INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:03:14) [INFO] Main: Simulation completed successfully. (00:03:15) |
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
residue index | residue name | chain | Aggrescan4D score | mutation |
---|---|---|---|---|
1 | M | A | -0.0094 | |
2 | S | A | -1.5473 | |
3 | K | A | -2.2998 | |
4 | G | A | 0.0000 | |
5 | E | A | -2.6103 | |
6 | E | A | -2.6257 | |
7 | L | A | -1.4804 | |
8 | F | A | 0.0000 | |
9 | T | A | -0.6524 | |
10 | G | A | 0.2319 | |
11 | V | A | 1.0246 | |
12 | V | A | 0.0000 | |
13 | P | A | -1.0246 | |
14 | I | A | 0.0000 | |
15 | L | A | -1.1515 | |
16 | V | A | 0.0000 | |
17 | E | A | -2.1149 | |
18 | L | A | 0.0000 | |
19 | D | A | -3.5614 | |
20 | G | A | 0.0000 | |
21 | D | A | -2.6469 | |
22 | V | A | 0.0000 | |
23 | N | A | -1.9779 | |
24 | G | A | -1.5791 | |
25 | H | A | -1.9182 | |
26 | K | A | -2.8557 | |
27 | F | A | 0.0000 | |
28 | S | A | -1.7376 | |
29 | V | A | 0.0000 | |
30 | S | A | -1.0663 | |
31 | G | A | 0.0000 | |
32 | E | A | -2.2479 | |
33 | G | A | -1.5472 | |
34 | E | A | -1.7007 | |
35 | G | A | 0.0000 | |
36 | D | A | -0.0465 | |
37 | A | A | 0.0000 | |
38 | T | A | 0.1770 | |
39 | Y | A | 0.7165 | |
40 | G | A | 0.0000 | |
41 | K | A | -0.5104 | |
42 | L | A | 0.0000 | |
43 | T | A | -0.9015 | |
44 | L | A | 0.0000 | |
45 | K | A | -1.2684 | |
46 | F | A | 0.0000 | |
47 | I | A | -0.8956 | |
48 | C | A | 0.0000 | |
49 | T | A | -0.7176 | |
50 | T | A | -1.1188 | |
51 | G | A | -1.5599 | |
52 | K | A | -2.2052 | |
53 | L | A | 0.0000 | |
54 | P | A | -1.1428 | |
55 | V | A | 0.0000 | |
56 | P | A | 0.0000 | |
57 | W | A | 0.0000 | |
58 | P | A | 0.0000 | |
59 | T | A | 0.0000 | |
60 | L | A | 0.0000 | |
61 | V | A | 0.0000 | |
62 | T | A | -0.0042 | |
63 | T | A | 0.0000 | |
64 | F | A | 0.0000 | |
68 | V | A | -0.0317 | |
69 | Q | A | -0.2421 | |
70 | C | A | 0.0000 | |
71 | F | A | 0.0000 | |
72 | S | A | 0.0000 | |
73 | R | A | -1.3785 | |
74 | Y | A | 0.0000 | |
75 | P | A | -1.8462 | |
76 | D | A | -3.0809 | |
77 | H | A | -2.2204 | |
78 | M | A | 0.0000 | |
79 | K | A | -3.2387 | |
80 | R | A | -2.8856 | |
81 | H | A | -1.7358 | |
82 | D | A | 0.0000 | |
83 | F | A | 0.0000 | |
84 | F | A | 0.0000 | |
85 | K | A | -1.1429 | |
86 | S | A | 0.0000 | |
87 | A | A | 0.0000 | |
88 | M | A | 0.0000 | |
89 | P | A | -1.8842 | |
90 | E | A | -1.9930 | |
91 | G | A | 0.0000 | |
92 | Y | A | 0.0000 | |
93 | V | A | -0.9121 | |
94 | Q | A | 0.0000 | |
95 | E | A | -2.2439 | |
96 | R | A | 0.0000 | |
97 | T | A | -0.5242 | |
98 | I | A | 0.0000 | |
99 | F | A | 0.1953 | |
100 | F | A | 0.0000 | |
101 | K | A | -2.1296 | |
102 | D | A | -2.9704 | |
103 | D | A | -2.6709 | |
104 | G | A | 0.0000 | |
105 | N | A | -0.8480 | |
106 | Y | A | 0.0000 | |
107 | K | A | -2.0381 | |
108 | T | A | 0.0000 | |
109 | R | A | -3.3460 | |
110 | A | A | 0.0000 | |
111 | E | A | -1.9474 | |
112 | V | A | 0.0000 | |
113 | K | A | -1.8425 | |
114 | F | A | 0.0000 | |
115 | E | A | -2.8190 | |
116 | G | A | -2.3532 | |
117 | D | A | -2.6201 | |
118 | T | A | -1.8490 | |
119 | L | A | 0.0000 | |
120 | V | A | 0.0000 | |
121 | N | A | 0.0000 | |
122 | R | A | -3.1830 | |
123 | I | A | 0.0000 | |
124 | E | A | -4.2046 | |
125 | L | A | 0.0000 | |
126 | K | A | -2.9783 | |
127 | G | A | 0.0000 | |
128 | I | A | -1.0345 | |
129 | D | A | -2.3911 | |
130 | F | A | 0.0000 | |
131 | K | A | -3.9852 | |
132 | E | A | -3.9762 | |
133 | D | A | -3.6057 | |
134 | G | A | -2.8266 | |
135 | N | A | -2.3559 | |
136 | I | A | 0.0000 | |
137 | L | A | -1.9788 | |
138 | G | A | -2.1962 | |
139 | H | A | -1.9807 | |
140 | K | A | -2.5980 | |
141 | L | A | -2.2572 | |
142 | E | A | -2.7701 | |
143 | Y | A | -1.4632 | |
144 | N | A | -1.7632 | |
145 | F | A | -1.7166 | |
146 | N | A | -1.9962 | |
147 | S | A | -1.5122 | |
148 | H | A | -1.5769 | |
149 | N | A | -1.2159 | |
150 | V | A | 0.0000 | |
151 | Y | A | 0.1762 | |
152 | I | A | 0.0000 | |
153 | M | A | -0.9724 | |
154 | A | A | -1.8006 | |
155 | D | A | -2.1481 | |
156 | K | A | -3.0759 | |
157 | Q | A | -2.9905 | |
158 | K | A | -3.2934 | |
159 | N | A | -2.6970 | |
160 | G | A | 0.0000 | |
161 | I | A | 0.0000 | |
162 | K | A | -1.0966 | |
163 | V | A | 0.0000 | |
164 | N | A | -0.4796 | |
165 | F | A | 0.0000 | |
166 | K | A | -1.9092 | |
167 | I | A | 0.0000 | |
168 | R | A | -2.4672 | |
169 | H | A | 0.0000 | |
170 | N | A | -2.8053 | |
171 | I | A | 0.0000 | |
172 | E | A | -3.6466 | |
173 | D | A | -3.2567 | |
174 | G | A | -2.2227 | |
175 | S | A | -1.4807 | |
176 | V | A | -1.2719 | |
177 | Q | A | 0.0000 | |
178 | L | A | -1.4379 | |
179 | A | A | 0.0000 | |
180 | D | A | 0.0000 | |
181 | H | A | 0.0000 | |
182 | Y | A | 0.1872 | |
183 | Q | A | 0.0000 | |
184 | Q | A | -1.6134 | |
185 | N | A | 0.0000 | |
186 | T | A | -0.7796 | |
187 | P | A | -0.8382 | |
188 | I | A | -0.4179 | |
189 | G | A | -1.3735 | |
190 | D | A | -2.3935 | |
191 | G | A | -1.7590 | |
192 | P | A | -1.2832 | |
193 | V | A | -0.9444 | |
194 | L | A | -0.9748 | |
195 | L | A | -1.2882 | |
196 | P | A | 0.0000 | |
197 | D | A | -2.1072 | |
198 | N | A | -1.2651 | |
199 | H | A | 0.0000 | |
200 | Y | A | 0.1693 | |
201 | L | A | 0.0000 | |
202 | S | A | -0.7050 | |
203 | T | A | 0.0000 | |
204 | Q | A | -1.4902 | |
205 | S | A | -0.8022 | |
206 | A | A | -0.3848 | |
207 | L | A | 0.0000 | |
208 | S | A | -0.9244 | |
209 | K | A | -1.7884 | |
210 | D | A | -2.0533 | |
211 | P | A | -1.8050 | |
212 | N | A | -2.4270 | |
213 | E | A | -2.5970 | |
214 | K | A | -2.9779 | |
215 | R | A | -2.9149 | |
216 | D | A | -2.0931 | |
217 | H | A | 0.0000 | |
218 | M | A | 0.0000 | |
219 | V | A | -0.3816 | |
220 | L | A | 0.0000 | |
221 | L | A | 0.1290 | |
222 | E | A | -0.2928 | |
223 | F | A | -0.0912 | |
224 | V | A | 0.0000 | |
225 | T | A | -0.5221 | |
226 | A | A | 0.0000 | |
227 | A | A | 0.1372 | |
228 | G | A | 0.3513 | |
229 | I | A | 1.2563 |