Chain sequence(s) |
A: SKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFVQCFSRYPDHMKRHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGI
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | FL64A,FS99A,MT153A,VA163A |
Energy difference between WT (input) and mutated protein (by FoldX) | 8.79336 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
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] FoldX: Building mutant model (00:01:18) [INFO] FoldX: Starting FoldX energy minimalization (00:01:54) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:08) [INFO] Main: Simulation completed successfully. (00:03:09) |
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 | |
2 | S | A | -1.7268 | |
3 | K | A | -1.9049 | |
4 | G | A | 0.0000 | |
5 | E | A | -2.6429 | |
6 | E | A | -2.5798 | |
7 | L | A | -1.1813 | |
8 | F | A | 0.0000 | |
9 | T | A | -0.6250 | |
10 | G | A | 0.4693 | |
11 | V | A | 1.2632 | |
12 | V | A | 0.0000 | |
13 | P | A | -0.9736 | |
14 | I | A | 0.0000 | |
15 | L | A | -1.0059 | |
16 | V | A | 0.0000 | |
17 | E | A | -1.8949 | |
18 | L | A | 0.0000 | |
19 | D | A | -3.3197 | |
20 | G | A | 0.0000 | |
21 | D | A | -2.4497 | |
22 | V | A | 0.0000 | |
23 | N | A | -2.0965 | |
24 | G | A | -1.6453 | |
25 | H | A | -2.1649 | |
26 | K | A | -2.8488 | |
27 | F | A | 0.0000 | |
28 | S | A | -1.6655 | |
29 | V | A | 0.0000 | |
30 | S | A | -0.9573 | |
31 | G | A | 0.0000 | |
32 | E | A | -2.1504 | |
33 | G | A | -1.4879 | |
34 | E | A | -1.5387 | |
35 | G | A | 0.0000 | |
36 | D | A | 0.1504 | |
37 | A | A | 0.0000 | |
38 | T | A | 0.2824 | |
39 | Y | A | 1.0229 | |
40 | G | A | 0.0000 | |
41 | K | A | -0.2158 | |
42 | L | A | 0.0000 | |
43 | T | A | -0.6796 | |
44 | L | A | 0.0000 | |
45 | K | A | -0.9258 | |
46 | F | A | 0.0000 | |
47 | I | A | -1.0300 | |
48 | C | A | 0.0000 | |
49 | T | A | -0.7786 | |
50 | T | A | -1.2931 | |
51 | G | A | -1.5977 | |
52 | K | A | -2.2463 | |
53 | L | A | 0.0000 | |
54 | P | A | -1.1998 | |
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 | -0.0045 | |
63 | T | A | 0.0000 | |
64 | L | A | 0.0000 | mutated: FL64A |
68 | V | A | -0.0584 | |
69 | Q | A | -0.1971 | |
70 | C | A | 0.0000 | |
71 | F | A | 0.0000 | |
72 | S | A | 0.0000 | |
73 | R | A | -1.1303 | |
74 | Y | A | 0.0000 | |
75 | P | A | -1.7988 | |
76 | D | A | -3.0591 | |
77 | H | A | -2.2760 | |
78 | M | A | 0.0000 | |
79 | K | A | -3.2733 | |
80 | R | A | -3.0358 | |
81 | H | A | -1.7709 | |
82 | D | A | 0.0000 | |
83 | F | A | 0.0000 | |
84 | F | A | 0.0000 | |
85 | K | A | 0.0000 | |
86 | S | A | 0.0000 | |
87 | A | A | 0.0000 | |
88 | M | A | 0.0000 | |
89 | P | A | -1.8217 | |
90 | E | A | -2.5132 | |
91 | G | A | 0.0000 | |
92 | Y | A | 0.0000 | |
93 | V | A | -0.8153 | |
94 | Q | A | 0.0000 | |
95 | E | A | -2.3481 | |
96 | R | A | 0.0000 | |
97 | T | A | -0.6291 | |
98 | I | A | 0.0000 | |
99 | S | A | -0.8324 | mutated: FS99A |
100 | F | A | 0.0000 | |
101 | K | A | -1.9375 | |
102 | D | A | -2.7405 | |
103 | D | A | -2.7397 | |
104 | G | A | 0.0000 | |
105 | N | A | -1.3042 | |
106 | Y | A | 0.0000 | |
107 | K | A | -1.9626 | |
108 | T | A | 0.0000 | |
109 | R | A | -3.0187 | |
110 | A | A | 0.0000 | |
111 | E | A | -2.2023 | |
112 | V | A | 0.0000 | |
113 | K | A | -1.9646 | |
114 | F | A | -2.0225 | |
115 | E | A | -2.7735 | |
116 | G | A | -2.2869 | |
117 | D | A | -2.5473 | |
118 | T | A | -1.7403 | |
119 | L | A | 0.0000 | |
120 | V | A | 0.0000 | |
121 | N | A | 0.0000 | |
122 | R | A | -2.7687 | |
123 | I | A | 0.0000 | |
124 | E | A | -3.9169 | |
125 | L | A | 0.0000 | |
126 | K | A | -2.7142 | |
127 | G | A | 0.0000 | |
128 | I | A | -1.2411 | |
129 | D | A | -2.3350 | |
130 | F | A | 0.0000 | |
131 | K | A | -3.9345 | |
132 | E | A | -3.9735 | |
133 | D | A | -3.5932 | |
134 | G | A | -2.7880 | |
135 | N | A | -2.1357 | |
136 | I | A | 0.0000 | |
137 | L | A | -1.9168 | |
138 | G | A | -2.2769 | |
139 | H | A | -2.2480 | |
140 | K | A | -2.5703 | |
141 | L | A | 0.0000 | |
142 | E | A | -2.0573 | |
143 | Y | A | -0.7964 | |
144 | N | A | -0.6816 | |
145 | Y | A | -0.7158 | |
146 | N | A | -0.9317 | |
147 | S | A | -0.9487 | |
148 | H | A | 0.0000 | |
149 | N | A | -1.0926 | |
150 | V | A | 0.0000 | |
151 | Y | A | -0.0202 | |
152 | I | A | 0.0000 | |
153 | T | A | -1.3621 | mutated: MT153A |
154 | A | A | -1.9282 | |
155 | D | A | 0.0000 | |
156 | K | A | -3.2153 | |
157 | Q | A | -3.1610 | |
158 | K | A | -3.4537 | |
159 | N | A | -2.7412 | |
160 | G | A | 0.0000 | |
161 | I | A | 0.0000 | |
162 | K | A | -1.6831 | |
163 | A | A | 0.0000 | mutated: VA163A |
164 | N | A | -0.4903 | |
165 | F | A | 0.0000 | |
166 | K | A | -1.3431 | |
167 | I | A | 0.0000 | |
168 | R | A | -0.8327 | |
169 | H | A | 0.0000 | |
170 | N | A | -1.2330 | |
171 | I | A | 0.0000 | |
172 | E | A | -3.3443 | |
173 | D | A | -3.0079 | |
174 | G | A | -1.8292 | |
175 | S | A | -0.7025 | |
176 | V | A | 0.3998 | |
177 | Q | A | 0.0000 | |
178 | L | A | -0.6088 | |
179 | A | A | 0.0000 | |
180 | D | A | 0.0000 | |
181 | H | A | 0.0000 | |
182 | Y | A | 0.3355 | |
183 | Q | A | 0.0000 | |
184 | Q | A | -1.2457 | |
185 | N | A | 0.0000 | |
186 | T | A | -0.8907 | |
187 | P | A | -0.8601 | |
188 | I | A | -0.4051 | |
189 | G | A | -1.3249 | |
190 | D | A | -2.0274 | |
191 | G | A | -1.3722 | |
192 | P | A | -0.8476 | |
193 | V | A | -0.5699 | |
194 | L | A | -0.6350 | |
195 | L | A | -0.8534 | |
196 | P | A | 0.0000 | |
197 | D | A | -2.3029 | |
198 | N | A | -1.7640 | |
199 | H | A | 0.0000 | |
200 | Y | A | 0.0953 | |
201 | L | A | 0.0000 | |
202 | S | A | -0.5546 | |
203 | T | A | -0.7021 | |
204 | Q | A | -1.1437 | |
205 | S | A | -0.4217 | |
206 | A | A | 0.0578 | |
207 | L | A | -0.0067 | |
208 | S | A | -0.6520 | |
209 | K | A | -1.7420 | |
210 | D | A | -2.1873 | |
211 | P | A | -1.8435 | |
212 | N | A | -2.4859 | |
213 | E | A | -2.7285 | |
214 | K | A | -3.1962 | |
215 | R | A | -3.3987 | |
216 | D | A | -2.3054 | |
217 | H | A | 0.0000 | |
218 | M | A | 0.0000 | |
219 | V | A | -0.1198 | |
220 | L | A | 0.0000 | |
221 | L | A | 0.4274 | |
222 | E | A | -0.0140 | |
223 | F | A | 0.3884 | |
224 | V | A | 0.0000 | |
225 | T | A | -0.3714 | |
226 | A | A | 0.0000 | |
227 | A | A | 0.0910 | |
228 | G | A | 0.3158 | |
229 | I | A | 1.1952 |