Chain sequence(s) |
A: MDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGKGGGGGIEGPTLRQWLAARAGGGGGGGGIEGPTLRQWLAARA
B: MDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGKGGGGGIEGPTLRQWLAARAGGGGGGGGIEGPTLRQWLAARA input PDB |
Selected Chain(s) | A,B |
Distance of aggregation | 5 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01) [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 all chain(s) selected (00:00:01) [INFO] runJob: Creating pdb object from: input.pdb (00:00:01) [INFO] FoldX: Starting FoldX energy minimalization (00:00:01) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:41) [INFO] Main: Simulation completed successfully. (00:06:45) |
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 | M | A | 0.7223 | |
2 | D | A | -1.9059 | |
3 | K | A | -2.0408 | |
4 | T | A | -0.5675 | |
5 | H | A | -1.0164 | |
6 | T | A | -0.1988 | |
7 | C | A | 0.2465 | |
8 | P | A | -0.2453 | |
9 | P | A | -0.2195 | |
10 | C | A | 0.3423 | |
11 | P | A | -0.1641 | |
12 | A | A | -0.0361 | |
13 | P | A | -0.5871 | |
14 | E | A | -1.5783 | |
15 | L | A | 1.4922 | |
16 | L | A | 1.7445 | |
17 | G | A | -0.1985 | |
18 | G | A | -0.2211 | |
19 | P | A | 0.0000 | |
20 | S | A | -0.0732 | |
21 | V | A | 0.0000 | |
22 | F | A | 0.8903 | |
23 | L | A | 0.5304 | |
24 | F | A | 1.1625 | |
25 | P | A | 0.0019 | |
26 | P | A | 0.0000 | |
27 | K | A | -1.7107 | |
28 | P | A | -0.4851 | |
29 | K | A | -0.7227 | |
30 | D | A | -0.3018 | |
31 | T | A | 0.0000 | |
32 | L | A | 0.0000 | |
33 | M | A | 0.5364 | |
34 | I | A | 2.0060 | |
35 | S | A | -0.0753 | |
36 | R | A | -1.2856 | |
37 | T | A | -0.2967 | |
38 | P | A | 0.0000 | |
39 | E | A | -0.9683 | |
40 | V | A | 0.0000 | |
41 | T | A | 0.0089 | |
42 | C | A | 0.0000 | |
43 | V | A | 0.0000 | |
44 | V | A | 0.0000 | |
45 | V | A | 0.0000 | |
46 | D | A | -0.5260 | |
47 | V | A | 0.0000 | |
48 | S | A | -0.2271 | |
49 | H | A | -1.3249 | |
50 | E | A | -2.0787 | |
51 | D | A | -0.7896 | |
52 | P | A | -0.4651 | |
53 | E | A | -1.7825 | |
54 | V | A | -0.3851 | |
55 | K | A | -1.6111 | |
56 | F | A | -0.1108 | |
57 | N | A | -0.1070 | |
58 | W | A | 0.0000 | |
59 | Y | A | 0.1854 | |
60 | V | A | -0.0360 | |
61 | D | A | -1.7823 | |
62 | G | A | -0.4648 | |
63 | V | A | 1.5215 | |
64 | E | A | -0.6186 | |
65 | V | A | -0.0530 | |
66 | H | A | -1.1610 | |
67 | N | A | -1.4469 | |
68 | A | A | -0.5203 | |
69 | K | A | -1.7099 | |
70 | T | A | -0.5073 | |
71 | K | A | -0.7527 | |
72 | P | A | -0.6397 | |
73 | R | A | -1.7221 | |
74 | E | A | -1.9416 | |
75 | E | A | -2.0843 | |
76 | Q | A | -0.2974 | |
77 | Y | A | 1.1576 | |
78 | N | A | -0.4767 | |
79 | S | A | -0.3343 | |
80 | T | A | -0.0232 | |
81 | Y | A | -0.1951 | |
82 | R | A | -0.5701 | |
83 | V | A | 0.0000 | |
84 | V | A | 0.0000 | |
85 | S | A | 0.0000 | |
86 | V | A | 0.1813 | |
87 | L | A | 0.0000 | |
88 | T | A | -0.2026 | |
89 | V | A | 0.0000 | |
90 | L | A | 1.2053 | |
91 | H | A | 0.0000 | |
92 | Q | A | -1.2746 | |
93 | D | A | -0.6388 | |
94 | W | A | 0.0000 | |
95 | L | A | 0.0133 | |
96 | N | A | -1.2565 | |
97 | G | A | -0.4870 | |
98 | K | A | -0.8195 | |
99 | E | A | -1.0866 | |
100 | Y | A | 0.0000 | |
101 | K | A | -0.4724 | |
102 | C | A | 0.0000 | |
103 | K | A | -0.6859 | |
104 | V | A | 0.0000 | |
105 | S | A | -0.0969 | |
106 | N | A | 0.0000 | |
107 | K | A | -1.6979 | |
108 | A | A | -0.2636 | |
109 | L | A | 0.1328 | |
110 | P | A | -0.2128 | |
111 | A | A | -0.0138 | |
112 | P | A | -0.0555 | |
113 | I | A | 0.1224 | |
114 | E | A | -1.9421 | |
115 | K | A | -1.1701 | |
116 | T | A | -0.2298 | |
117 | I | A | 0.2913 | |
118 | S | A | -0.1277 | |
119 | K | A | -0.1737 | |
120 | A | A | -0.2958 | |
121 | K | A | -1.7773 | |
122 | G | A | -0.9940 | |
123 | Q | A | -1.2966 | |
124 | P | A | -0.4849 | |
125 | R | A | -1.4110 | |
126 | E | A | -2.0173 | |
127 | P | A | 0.0000 | |
128 | Q | A | -0.6119 | |
129 | V | A | 0.0000 | |
130 | Y | A | 0.0000 | |
131 | T | A | -0.0084 | |
132 | L | A | 0.0000 | |
133 | P | A | -0.1670 | |
134 | P | A | -0.0570 | |
135 | S | A | 0.0000 | |
136 | R | A | -2.1684 | |
137 | D | A | -2.1237 | |
138 | E | A | 0.0000 | |
139 | L | A | 0.2690 | |
140 | T | A | -0.1728 | |
141 | K | A | -1.0972 | |
142 | N | A | -1.5290 | |
143 | Q | A | -0.9901 | |
144 | V | A | 0.0000 | |
145 | S | A | 0.0000 | |
146 | L | A | 0.0000 | |
147 | T | A | 0.0000 | |
148 | C | A | 0.0000 | |
149 | L | A | 0.0000 | |
150 | V | A | 0.0000 | |
151 | K | A | -0.2208 | |
152 | G | A | -0.1291 | |
153 | F | A | 0.0000 | |
154 | Y | A | 0.0862 | |
155 | P | A | 0.0000 | |
156 | S | A | -0.1731 | |
157 | D | A | -0.6170 | |
158 | I | A | 0.0000 | |
159 | A | A | 0.0076 | |
160 | V | A | 0.0000 | |
161 | E | A | -0.7506 | |
162 | W | A | 0.0000 | |
163 | E | A | -0.4367 | |
164 | S | A | 0.0000 | |
165 | N | A | -1.3565 | |
166 | G | A | -0.9077 | |
167 | Q | A | -1.3273 | |
168 | P | A | -0.5617 | |
169 | E | A | -0.5268 | |
170 | N | A | -1.4268 | |
171 | N | A | -0.8361 | |
172 | Y | A | -0.0108 | |
173 | K | A | -0.6139 | |
174 | T | A | -0.1399 | |
175 | T | A | 0.0000 | |
176 | P | A | -0.1751 | |
177 | P | A | -0.0746 | |
178 | V | A | 0.4914 | |
179 | L | A | 1.5733 | |
180 | D | A | -0.0288 | |
181 | S | A | -0.5821 | |
182 | D | A | -1.8840 | |
183 | G | A | -0.6360 | |
184 | S | A | 0.0000 | |
185 | F | A | 0.4653 | |
186 | F | A | 0.0000 | |
187 | L | A | 0.0000 | |
188 | Y | A | 0.0000 | |
189 | S | A | 0.0000 | |
190 | K | A | 0.0000 | |
191 | L | A | 0.0000 | |
192 | T | A | -0.0091 | |
193 | V | A | 0.0000 | |
194 | D | A | -1.2811 | |
195 | K | A | -0.7353 | |
196 | S | A | -0.3896 | |
197 | R | A | -0.5886 | |
198 | W | A | 0.0000 | |
199 | Q | A | -1.4132 | |
200 | Q | A | -1.4678 | |
201 | G | A | -0.5864 | |
202 | N | A | -0.2723 | |
203 | V | A | 0.7565 | |
204 | F | A | 0.0000 | |
205 | S | A | 0.0000 | |
206 | C | A | 0.0000 | |
207 | S | A | 0.0000 | |
208 | V | A | 0.0000 | |
209 | M | A | 0.0000 | |
210 | H | A | 0.0000 | |
211 | E | A | -0.2610 | |
212 | A | A | -0.2166 | |
213 | L | A | -0.0421 | |
214 | H | A | -1.1891 | |
215 | N | A | -1.4862 | |
216 | H | A | -0.3191 | |
217 | Y | A | 0.5648 | |
218 | T | A | -0.0072 | |
219 | Q | A | -0.7065 | |
220 | K | A | -0.8103 | |
221 | S | A | -0.3349 | |
222 | L | A | 0.0000 | |
223 | S | A | 0.1011 | |
224 | L | A | 0.4474 | |
225 | S | A | -0.1668 | |
226 | P | A | -0.3803 | |
227 | G | A | -0.8339 | |
228 | K | A | -1.8759 | |
229 | G | A | -0.8742 | |
230 | G | A | -0.6397 | |
231 | G | A | -0.6395 | |
232 | G | A | -0.6407 | |
233 | G | A | -0.1777 | |
234 | I | A | 1.5904 | |
235 | E | A | -1.5376 | |
236 | G | A | -0.8423 | |
237 | P | A | -0.2722 | |
238 | T | A | 0.0160 | |
239 | L | A | 0.2592 | |
240 | R | A | -1.9207 | |
241 | Q | A | -1.3378 | |
242 | W | A | 0.0000 | |
243 | L | A | 1.3315 | |
244 | A | A | 0.1890 | |
245 | A | A | -0.2666 | |
246 | R | A | -1.8230 | |
247 | A | A | -0.3573 | |
248 | G | A | -0.5404 | |
249 | G | A | -0.6352 | |
250 | G | A | -0.6371 | |
251 | G | A | -0.6381 | |
252 | G | A | -0.6360 | |
253 | G | A | -0.6342 | |
254 | G | A | -0.6349 | |
255 | G | A | -0.1764 | |
256 | I | A | 1.5923 | |
257 | E | A | -1.5018 | |
258 | G | A | -0.6429 | |
259 | P | A | -0.2393 | |
260 | T | A | 0.0706 | |
261 | L | A | 0.4217 | |
262 | R | A | -1.9075 | |
263 | Q | A | -1.4028 | |
264 | W | A | 0.2307 | |
265 | L | A | 1.4058 | |
266 | A | A | 0.2965 | |
267 | A | A | -0.2582 | |
268 | R | A | -1.8232 | |
269 | A | A | -0.2758 | |
1 | M | B | 0.7211 | |
2 | D | B | -1.9070 | |
3 | K | B | -2.0428 | |
4 | T | B | -0.5696 | |
5 | H | B | -1.0163 | |
6 | T | B | -0.1986 | |
7 | C | B | 0.2387 | |
8 | P | B | -0.2468 | |
9 | P | B | -0.2227 | |
10 | C | B | 0.3267 | |
11 | P | B | -0.1669 | |
12 | A | B | -0.0359 | |
13 | P | B | -0.5865 | |
14 | E | B | -1.5785 | |
15 | L | B | 1.4912 | |
16 | L | B | 1.7441 | |
17 | G | B | -0.2035 | |
18 | G | B | -0.2328 | |
19 | P | B | 0.0000 | |
20 | S | B | -0.0739 | |
21 | V | B | 0.0000 | |
22 | F | B | 1.0381 | |
23 | L | B | 0.5864 | |
24 | F | B | 1.2656 | |
25 | P | B | 0.0176 | |
26 | P | B | 0.0000 | |
27 | K | B | -1.7105 | |
28 | P | B | -0.4842 | |
29 | K | B | -0.6902 | |
30 | D | B | 0.0000 | |
31 | T | B | 0.0000 | |
32 | L | B | 0.0000 | |
33 | M | B | 0.5510 | |
34 | I | B | 2.0087 | |
35 | S | B | -0.0928 | |
36 | R | B | -1.3791 | |
37 | T | B | -0.3143 | |
38 | P | B | 0.0000 | |
39 | E | B | -0.9585 | |
40 | V | B | 0.0000 | |
41 | T | B | -0.0131 | |
42 | C | B | 0.0000 | |
43 | V | B | 0.0000 | |
44 | V | B | 0.0000 | |
45 | V | B | 0.0000 | |
46 | D | B | -0.5205 | |
47 | V | B | 0.0000 | |
48 | S | B | -0.2354 | |
49 | H | B | -1.3257 | |
50 | E | B | -2.0784 | |
51 | D | B | -0.7901 | |
52 | P | B | -0.4633 | |
53 | E | B | -1.7825 | |
54 | V | B | -0.3858 | |
55 | K | B | -1.6106 | |
56 | F | B | -0.1080 | |
57 | N | B | -0.1094 | |
58 | W | B | 0.0000 | |
59 | Y | B | 0.2318 | |
60 | V | B | -0.0277 | |
61 | D | B | -1.7891 | |
62 | G | B | -0.4646 | |
63 | V | B | 1.5177 | |
64 | E | B | -0.6338 | |
65 | V | B | -0.0536 | |
66 | H | B | -1.1610 | |
67 | N | B | -1.4472 | |
68 | A | B | -0.5201 | |
69 | K | B | -1.7100 | |
70 | T | B | -0.5684 | |
71 | K | B | -1.0789 | |
72 | P | B | -0.7055 | |
73 | R | B | -1.8424 | |
74 | E | B | -2.4163 | |
75 | E | B | -2.1832 | |
76 | Q | B | -0.2727 | |
77 | Y | B | 1.1645 | |
78 | N | B | -0.4626 | |
79 | S | B | -0.3320 | |
80 | T | B | -0.0483 | |
81 | Y | B | 0.0000 | |
82 | R | B | -0.6997 | |
83 | V | B | 0.0000 | |
84 | V | B | 0.2435 | |
85 | S | B | 0.0000 | |
86 | V | B | 0.0000 | |
87 | L | B | 0.0000 | |
88 | T | B | -0.2024 | |
89 | V | B | 0.0000 | |
90 | L | B | 1.1866 | |
91 | H | B | 0.0000 | |
92 | Q | B | -1.2771 | |
93 | D | B | -0.6526 | |
94 | W | B | 0.0000 | |
95 | L | B | 0.0053 | |
96 | N | B | -1.2515 | |
97 | G | B | -0.4472 | |
98 | K | B | -0.7950 | |
99 | E | B | -1.1186 | |
100 | Y | B | 0.0000 | |
101 | K | B | -0.4870 | |
102 | C | B | 0.0000 | |
103 | K | B | -0.5702 | |
104 | V | B | 0.0000 | |
105 | S | B | -0.1019 | |
106 | N | B | 0.0000 | |
107 | K | B | -1.6970 | |
108 | A | B | -0.2579 | |
109 | L | B | 0.1330 | |
110 | P | B | -0.2131 | |
111 | A | B | -0.0182 | |
112 | P | B | -0.0874 | |
113 | I | B | 0.1040 | |
114 | E | B | -1.7967 | |
115 | K | B | -1.0831 | |
116 | T | B | -0.2208 | |
117 | I | B | 0.2914 | |
118 | S | B | -0.1343 | |
119 | K | B | -0.1753 | |
120 | A | B | -0.2963 | |
121 | K | B | -1.7772 | |
122 | G | B | -0.9937 | |
123 | Q | B | -1.2960 | |
124 | P | B | -0.4065 | |
125 | R | B | -0.9899 | |
126 | E | B | -1.9417 | |
127 | P | B | 0.0000 | |
128 | Q | B | -0.5869 | |
129 | V | B | 0.0000 | |
130 | Y | B | 0.0000 | |
131 | T | B | -0.0085 | |
132 | L | B | 0.0000 | |
133 | P | B | -0.1687 | |
134 | P | B | -0.0570 | |
135 | S | B | 0.0000 | |
136 | R | B | -2.1666 | |
137 | D | B | -2.1218 | |
138 | E | B | 0.0000 | |
139 | L | B | 0.2478 | |
140 | T | B | -0.1728 | |
141 | K | B | -1.0743 | |
142 | N | B | -1.5374 | |
143 | Q | B | -1.0601 | |
144 | V | B | 0.0000 | |
145 | S | B | 0.0000 | |
146 | L | B | 0.0000 | |
147 | T | B | 0.0000 | |
148 | C | B | 0.0000 | |
149 | L | B | 0.0000 | |
150 | V | B | 0.0000 | |
151 | K | B | -0.2105 | |
152 | G | B | -0.1008 | |
153 | F | B | 0.0000 | |
154 | Y | B | 0.1657 | |
155 | P | B | 0.0000 | |
156 | S | B | -0.1867 | |
157 | D | B | -0.6907 | |
158 | I | B | 0.0000 | |
159 | A | B | 0.0000 | |
160 | V | B | 0.0000 | |
161 | E | B | -1.1566 | |
162 | W | B | 0.0000 | |
163 | E | B | -0.4595 | |
164 | S | B | 0.0000 | |
165 | N | B | -1.3564 | |
166 | G | B | -0.9082 | |
167 | Q | B | -1.3276 | |
168 | P | B | -0.5310 | |
169 | E | B | 0.0000 | |
170 | N | B | -1.4212 | |
171 | N | B | -1.0074 | |
172 | Y | B | -0.0089 | |
173 | K | B | -0.6763 | |
174 | T | B | -0.1522 | |
175 | T | B | 0.0000 | |
176 | P | B | -0.1762 | |
177 | P | B | -0.0721 | |
178 | V | B | 0.4841 | |
179 | L | B | 1.5400 | |
180 | D | B | -0.0046 | |
181 | S | B | -0.5758 | |
182 | D | B | -1.8790 | |
183 | G | B | -0.6082 | |
184 | S | B | 0.0000 | |
185 | F | B | 0.4667 | |
186 | F | B | 0.0000 | |
187 | L | B | 0.0000 | |
188 | Y | B | 0.0000 | |
189 | S | B | 0.0000 | |
190 | K | B | 0.0000 | |
191 | L | B | 0.0000 | |
192 | T | B | -0.0097 | |
193 | V | B | 0.0000 | |
194 | D | B | -1.2839 | |
195 | K | B | -0.7350 | |
196 | S | B | -0.3875 | |
197 | R | B | -0.5829 | |
198 | W | B | 0.0000 | |
199 | Q | B | -1.4124 | |
200 | Q | B | -1.4668 | |
201 | G | B | -0.5882 | |
202 | N | B | -0.2795 | |
203 | V | B | 0.7980 | |
204 | F | B | 0.0000 | |
205 | S | B | 0.0000 | |
206 | C | B | 0.0000 | |
207 | S | B | 0.0000 | |
208 | V | B | 0.0000 | |
209 | M | B | 0.0000 | |
210 | H | B | 0.0000 | |
211 | E | B | -0.2438 | |
212 | A | B | -0.2141 | |
213 | L | B | -0.0422 | |
214 | H | B | -1.1888 | |
215 | N | B | -1.4835 | |
216 | H | B | -0.3202 | |
217 | Y | B | 0.4750 | |
218 | T | B | -0.0689 | |
219 | Q | B | -0.9541 | |
220 | K | B | -0.8521 | |
221 | S | B | -0.3343 | |
222 | L | B | 0.0000 | |
223 | S | B | 0.1010 | |
224 | L | B | 0.4196 | |
225 | S | B | -0.1723 | |
226 | P | B | -0.3806 | |
227 | G | B | -0.8307 | |
228 | K | B | -1.8754 | |
229 | G | B | -0.8753 | |
230 | G | B | -0.6390 | |
231 | G | B | -0.6400 | |
232 | G | B | -0.6414 | |
233 | G | B | -0.1768 | |
234 | I | B | 1.5890 | |
235 | E | B | -1.5364 | |
236 | G | B | -0.8430 | |
237 | P | B | -0.2661 | |
238 | T | B | 0.0616 | |
239 | L | B | 0.3344 | |
240 | R | B | -1.8889 | |
241 | Q | B | -1.2316 | |
242 | W | B | 0.0000 | |
243 | L | B | 1.2643 | |
244 | A | B | 0.1858 | |
245 | A | B | -0.2661 | |
246 | R | B | -1.8230 | |
247 | A | B | -0.3557 | |
248 | G | B | -0.5404 | |
249 | G | B | -0.6357 | |
250 | G | B | -0.6376 | |
251 | G | B | -0.6384 | |
252 | G | B | -0.6361 | |
253 | G | B | -0.6346 | |
254 | G | B | -0.6358 | |
255 | G | B | -0.1789 | |
256 | I | B | 1.5937 | |
257 | E | B | -1.5064 | |
258 | G | B | -0.6635 | |
259 | P | B | -0.2461 | |
260 | T | B | 0.0703 | |
261 | L | B | 0.4322 | |
262 | R | B | -1.9068 | |
263 | Q | B | -1.4105 | |
264 | W | B | 0.2631 | |
265 | L | B | 1.4824 | |
266 | A | B | 0.3084 | |
267 | A | B | -0.2596 | |
268 | R | B | -1.8231 | |
269 | A | B | -0.2772 |