Chain sequence(s) |
A: RGQTCYRPLRGDGLAPLGRTTYPRPHEYLSPADLPKSWDWRNVDGVNYASITRNQHIPQYCGSCWAHASTSAMADRINIKRKGAWPSTLLSVQNVIDCGNAGSCEGGNDLSVWDYAHQHGIPDETCNNYQAKDQECDKFNQCGTCNEFKECHAIRNYTLWRVGDYGSLSGREKMMAEIYANGPISCGIMATERLANYTGGIYAEYQDTTYINHVVSVAGWGISDGTEYWIVRNSWGEPWGERGWLRIVTSTYKDGKGARYNLAIEEHCTFGDPIV
B: FRRGQTCYRPLREYLSPADLPKSWDWRNVDGVNYASITRNQHIPQYCGSCWAHASTSAMADRINIKRKGAWPSTLLSVQNVIDCGNAGSCEGGNDLSVWDYAHQHGIPDETCNNYQAKDQECDKFNQCGTCNEFKECHAIRNYTLWRVGDYGSLSGREKMMAEIYANGPISCGIMATERLANYTGGIYAEYQDTTYINHVVSVAGWGISDGTEYWIVRNSWGEPWGERGWLRIVTSTYKDGKGARYNLAIEEHCTFGDPIV input PDB |
Selected Chain(s) | A,B |
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 all 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 (00:05:39) [INFO] Main: Simulation completed successfully. (00:05:43) |
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 | |
6P | R | A | -2.6216 | |
7P | G | A | -1.8516 | |
8P | Q | A | -2.0979 | |
9P | T | A | -1.4386 | |
10P | C | A | 0.0000 | |
11P | Y | A | 0.0000 | |
12P | R | A | -1.6600 | |
13P | P | A | -1.3912 | |
14P | L | A | -1.2359 | |
15P | R | A | -2.4971 | |
16P | G | A | -2.0129 | |
17P | D | A | -2.2202 | |
18P | G | A | -1.0039 | |
19P | L | A | 0.5147 | |
20P | A | A | 0.3919 | |
21P | P | A | -0.2306 | |
22P | L | A | 0.1007 | |
23P | G | A | -0.7517 | |
24P | R | A | -1.0151 | |
25P | T | A | -0.5260 | |
26P | T | A | -0.1208 | |
27P | Y | A | 0.2192 | |
28P | P | A | -0.1845 | |
29P | R | A | -0.4215 | |
30P | P | A | -0.5288 | |
31P | H | A | -0.7542 | |
32P | E | A | -0.2219 | |
33P | Y | A | 0.8584 | |
34P | L | A | 0.3717 | |
35P | S | A | -0.4566 | |
36P | P | A | -1.1676 | |
37P | A | A | -1.2602 | |
38P | D | A | -1.7523 | |
1 | L | A | -1.2518 | |
2 | P | A | -1.1869 | |
3 | K | A | -1.6803 | |
4 | S | A | -0.5101 | |
5 | W | A | -0.3761 | |
6 | D | A | -1.0662 | |
7 | W | A | 0.0000 | |
8 | R | A | -1.8994 | |
9 | N | A | -2.3958 | |
10 | V | A | 0.0000 | |
11 | D | A | -2.3539 | |
12 | G | A | -1.7054 | |
13 | V | A | -1.3525 | |
14 | N | A | -1.9864 | |
15 | Y | A | -1.0889 | |
16 | A | A | -0.1914 | |
17 | S | A | 0.7215 | |
18 | I | A | 1.7872 | |
19 | T | A | 0.0850 | |
20 | R | A | -0.0019 | |
21 | N | A | -0.2964 | |
22 | Q | A | 0.0000 | |
23 | H | A | 0.4994 | |
24 | I | A | 1.2693 | |
25 | P | A | 0.3331 | |
26 | Q | A | -0.1152 | |
27 | Y | A | 0.4647 | |
28 | C | A | 0.0000 | |
29 | G | A | 0.0000 | |
30 | S | A | 0.0000 | |
31 | C | A | 0.0000 | |
32 | W | A | 0.0000 | |
33 | A | A | 0.0000 | |
34 | H | A | 0.0000 | |
35 | A | A | 0.0000 | |
36 | S | A | 0.0000 | |
37 | T | A | 0.0000 | |
38 | S | A | 0.0000 | |
39 | A | A | 0.0000 | |
40 | M | A | 0.0000 | |
41 | A | A | 0.0000 | |
42 | D | A | 0.0000 | |
43 | R | A | 0.0000 | |
44 | I | A | 0.0000 | |
45 | N | A | 0.0000 | |
46 | I | A | -1.2535 | |
47 | K | A | -1.3024 | |
48 | R | A | -1.2302 | |
49 | K | A | -2.1545 | |
50 | G | A | -1.3819 | |
51 | A | A | -0.4525 | |
52 | W | A | 0.6764 | |
53 | P | A | 0.4067 | |
54 | S | A | 0.2885 | |
55 | T | A | 0.0000 | |
56 | L | A | 0.3647 | |
57 | L | A | 0.0000 | |
58 | S | A | 0.0000 | |
59 | V | A | 0.0000 | |
60 | Q | A | 0.0000 | |
61 | N | A | 0.0000 | |
62 | V | A | 0.0000 | |
63 | I | A | 0.0000 | |
64 | D | A | -1.6730 | |
65 | C | A | 0.0000 | |
66 | G | A | 0.0000 | |
67 | N | A | -1.3495 | |
68 | A | A | 0.0000 | |
69 | G | A | -1.4380 | |
70 | S | A | -1.7625 | |
71 | C | A | -1.5080 | |
72 | E | A | -2.3805 | |
73 | G | A | 0.0000 | |
74 | G | A | 0.0000 | |
75 | N | A | 0.0000 | |
76 | D | A | 0.0000 | |
77 | L | A | 0.0000 | |
78 | S | A | -0.3389 | |
79 | V | A | 0.0000 | |
80 | W | A | 0.0000 | |
81 | D | A | -1.0557 | |
82 | Y | A | 0.0000 | |
83 | A | A | 0.0000 | |
84 | H | A | -1.3001 | |
85 | Q | A | -1.7267 | |
86 | H | A | -1.1413 | |
87 | G | A | 0.0000 | |
88 | I | A | 0.0000 | |
89 | P | A | 0.0000 | |
90 | D | A | -0.5234 | |
91 | E | A | -0.7308 | |
92 | T | A | -0.6483 | |
93 | C | A | 0.0000 | |
94 | N | A | 0.0000 | |
95 | N | A | -1.4794 | |
96 | Y | A | -0.6922 | |
97 | Q | A | -1.1468 | |
98 | A | A | 0.0000 | |
99 | K | A | -1.9173 | |
100 | D | A | -2.9761 | |
101 | Q | A | -2.3115 | |
102 | E | A | -2.5988 | |
103 | C | A | -1.7645 | |
104 | D | A | -2.3205 | |
105 | K | A | -2.5053 | |
106 | F | A | -0.9259 | |
107 | N | A | -1.2996 | |
108 | Q | A | -1.2423 | |
109 | C | A | 0.0000 | |
110 | G | A | -0.4947 | |
111 | T | A | -0.4091 | |
112 | C | A | -1.0700 | |
113 | N | A | -2.1935 | |
114 | E | A | -2.3257 | |
115 | F | A | -0.4000 | |
116 | K | A | -2.1456 | |
117 | E | A | -2.7253 | |
118 | C | A | -1.0637 | |
119 | H | A | -1.2934 | |
120 | A | A | 0.0000 | |
121 | I | A | -0.9256 | |
122 | R | A | -2.4145 | |
123 | N | A | -1.8236 | |
124 | Y | A | -0.6848 | |
125 | T | A | -0.1574 | |
126 | L | A | 0.0273 | |
127 | W | A | 0.2367 | |
128 | R | A | -0.7474 | |
129 | V | A | 0.0000 | |
130 | G | A | -0.3300 | |
131 | D | A | 0.0000 | |
132 | Y | A | 0.0000 | |
133 | G | A | -0.4449 | |
134 | S | A | -0.4800 | |
135 | L | A | -0.9630 | |
136 | S | A | -1.5806 | |
137 | G | A | -1.8320 | |
138 | R | A | -2.0550 | |
139 | E | A | -2.7712 | |
140 | K | A | -2.4712 | |
141 | M | A | 0.0000 | |
142 | M | A | 0.0000 | |
143 | A | A | -1.0302 | |
144 | E | A | 0.0000 | |
145 | I | A | 0.0000 | |
146 | Y | A | 0.2510 | |
147 | A | A | 0.0047 | |
148 | N | A | 0.0000 | |
149 | G | A | 0.0000 | |
150 | P | A | 0.0000 | |
151 | I | A | 0.0000 | |
152 | S | A | 0.0000 | |
153 | C | A | 0.0000 | |
154 | G | A | 0.0000 | |
155 | I | A | 0.0000 | |
156 | M | A | 0.4868 | |
157 | A | A | -0.5670 | |
158 | T | A | -2.0148 | |
159 | E | A | -3.2497 | |
160 | R | A | -3.1347 | |
161 | L | A | 0.0000 | |
162 | A | A | -1.8588 | |
163 | N | A | -2.3851 | |
164 | Y | A | 0.0000 | |
165 | T | A | -1.1905 | |
166 | G | A | -0.9528 | |
167 | G | A | -0.2504 | |
168 | I | A | 0.4236 | |
169 | Y | A | -0.0054 | |
170 | A | A | 0.1154 | |
171 | E | A | 0.0000 | |
172 | Y | A | 0.2694 | |
173 | Q | A | -0.7230 | |
174 | D | A | -1.8209 | |
175 | T | A | -0.6301 | |
176 | T | A | -0.2975 | |
177 | Y | A | 0.9753 | |
178 | I | A | 0.3856 | |
179 | N | A | -0.2478 | |
180 | H | A | 0.0000 | |
181 | V | A | 0.0000 | |
182 | V | A | 0.0000 | |
183 | S | A | 0.0000 | |
184 | V | A | 0.0000 | |
185 | A | A | 0.0000 | |
186 | G | A | 0.0000 | |
187 | W | A | 0.0000 | |
188 | G | A | 0.0000 | |
189 | I | A | 0.3793 | |
190 | S | A | -0.4277 | |
191 | D | A | -1.7520 | |
192 | G | A | -0.9911 | |
193 | T | A | -0.3941 | |
194 | E | A | 0.0000 | |
195 | Y | A | 0.4349 | |
196 | W | A | 0.0000 | |
197 | I | A | 0.0000 | |
198 | V | A | 0.0000 | |
199 | R | A | 0.0000 | |
200 | N | A | 0.0000 | |
201 | S | A | 0.0000 | |
202 | W | A | -0.5071 | |
203 | G | A | 0.0000 | |
204 | E | A | -2.6633 | |
205 | P | A | -1.7778 | |
206 | W | A | 0.0000 | |
207 | G | A | -1.6594 | |
208 | E | A | -2.0284 | |
209 | R | A | -2.9646 | |
210 | G | A | 0.0000 | |
211 | W | A | 0.0000 | |
212 | L | A | 0.0000 | |
213 | R | A | -0.2470 | |
214 | I | A | 0.0000 | |
215 | V | A | 0.0000 | |
216 | T | A | 0.0000 | |
217 | S | A | -1.4491 | |
218 | T | A | -1.3575 | |
219 | Y | A | -1.6816 | |
220 | K | A | -2.8274 | |
221 | D | A | -2.9583 | |
222 | G | A | -2.4609 | |
223 | K | A | -2.5780 | |
224 | G | A | 0.0000 | |
225 | A | A | -1.6319 | |
226 | R | A | -2.0262 | |
227 | Y | A | -0.6478 | |
228 | N | A | 0.0000 | |
229 | L | A | 0.0000 | |
230 | A | A | 0.0000 | |
231 | I | A | 0.0000 | |
232 | E | A | 0.0000 | |
233 | E | A | -1.8627 | |
234 | H | A | -1.1354 | |
235 | C | A | 0.0000 | |
236 | T | A | 0.0000 | |
237 | F | A | 0.0000 | |
238 | G | A | 0.0000 | |
239 | D | A | 0.0000 | |
240 | P | A | 0.0000 | |
241 | I | A | 1.6128 | |
242 | V | A | 1.9059 | |
4P | F | B | -1.3262 | |
5P | R | B | -2.9505 | |
6P | R | B | -3.0237 | |
7P | G | B | -1.9348 | |
8P | Q | B | -1.7353 | |
9P | T | B | -1.2320 | |
10P | C | B | 0.0000 | |
11P | Y | B | 0.0000 | |
12P | R | B | -1.3450 | |
13P | P | B | -0.4739 | |
14P | L | B | 0.6775 | |
15P | R | B | -1.7385 | |
32 | E | B | -2.0593 | |
33P | Y | B | 0.6118 | |
34P | L | B | -0.0178 | |
35P | S | B | -0.8033 | |
36P | P | B | -1.4571 | |
37P | A | B | -1.0646 | |
38P | D | B | -1.9037 | |
1 | L | B | -1.2295 | |
2 | P | B | -1.1515 | |
3 | K | B | -1.8195 | |
4 | S | B | -0.7272 | |
5 | W | B | -0.4238 | |
6 | D | B | -0.8706 | |
7 | W | B | 0.0000 | |
8 | R | B | -1.8858 | |
9 | N | B | -2.3174 | |
10 | V | B | -1.5802 | |
11 | D | B | -2.2261 | |
12 | G | B | -1.6581 | |
13 | V | B | -1.2297 | |
14 | N | B | -1.9107 | |
15 | Y | B | -0.9430 | |
16 | A | B | -0.1667 | |
17 | S | B | 0.7183 | |
18 | I | B | 1.8486 | |
19 | T | B | 0.2082 | |
20 | R | B | -0.1157 | |
21 | N | B | -0.2378 | |
22 | Q | B | 0.0000 | |
23 | H | B | 0.5244 | |
24 | I | B | 1.1785 | |
25 | P | B | 0.2828 | |
26 | Q | B | -0.2656 | |
27 | Y | B | 0.5002 | |
28 | C | B | 0.0000 | |
29 | G | B | 0.0000 | |
30 | S | B | 0.0000 | |
31 | C | B | 0.0000 | |
32 | W | B | 0.0000 | |
33 | A | B | 0.0000 | |
34 | H | B | 0.0000 | |
35 | A | B | 0.0000 | |
36 | S | B | 0.0000 | |
37 | T | B | 0.0000 | |
38 | S | B | 0.0000 | |
39 | A | B | 0.0000 | |
40 | M | B | 0.0000 | |
41 | A | B | 0.0000 | |
42 | D | B | 0.0000 | |
43 | R | B | 0.0000 | |
44 | I | B | 0.0000 | |
45 | N | B | 0.0000 | |
46 | I | B | -0.9877 | |
47 | K | B | -0.8972 | |
48 | R | B | -1.1175 | |
49 | K | B | -1.9452 | |
50 | G | B | -1.2481 | |
51 | A | B | -0.3856 | |
52 | W | B | 0.6738 | |
53 | P | B | 0.4105 | |
54 | S | B | 0.2865 | |
55 | T | B | 0.0000 | |
56 | L | B | 0.3902 | |
57 | L | B | 0.0000 | |
58 | S | B | 0.0000 | |
59 | V | B | 0.0000 | |
60 | Q | B | 0.0000 | |
61 | N | B | 0.0000 | |
62 | V | B | 0.0000 | |
63 | I | B | 0.0000 | |
64 | D | B | -1.7574 | |
65 | C | B | -1.0972 | |
66 | G | B | 0.0000 | |
67 | N | B | -1.3657 | |
68 | A | B | 0.0000 | |
69 | G | B | -1.3926 | |
70 | S | B | -1.8192 | |
71 | C | B | -1.5993 | |
72 | E | B | -2.3033 | |
73 | G | B | 0.0000 | |
74 | G | B | 0.0000 | |
75 | N | B | 0.0000 | |
76 | D | B | 0.0000 | |
77 | L | B | 0.0289 | |
78 | S | B | -0.2861 | |
79 | V | B | 0.0000 | |
80 | W | B | 0.0000 | |
81 | D | B | -1.3966 | |
82 | Y | B | 0.0000 | |
83 | A | B | 0.0000 | |
84 | H | B | -1.7440 | |
85 | Q | B | -1.8974 | |
86 | H | B | -1.2084 | |
87 | G | B | 0.0000 | |
88 | I | B | 0.0000 | |
89 | P | B | 0.0000 | |
90 | D | B | -0.4685 | |
91 | E | B | 0.0000 | |
92 | T | B | -0.6054 | |
93 | C | B | 0.0000 | |
94 | N | B | -0.9191 | |
95 | N | B | -1.4895 | |
96 | Y | B | -0.8023 | |
97 | Q | B | -1.4559 | |
98 | A | B | 0.0000 | |
99 | K | B | -2.4940 | |
100 | D | B | -3.2467 | |
101 | Q | B | -2.4902 | |
102 | E | B | -2.6758 | |
103 | C | B | -1.8687 | |
104 | D | B | -2.3297 | |
105 | K | B | -2.5250 | |
106 | F | B | -1.0068 | |
107 | N | B | -1.3933 | |
108 | Q | B | -1.3265 | |
109 | C | B | 0.0000 | |
110 | G | B | -0.5190 | |
111 | T | B | -0.4060 | |
112 | C | B | -0.9981 | |
113 | N | B | -2.1982 | |
114 | E | B | -2.3087 | |
115 | F | B | -0.4089 | |
116 | K | B | -2.1041 | |
117 | E | B | -2.6847 | |
118 | C | B | -1.0055 | |
119 | H | B | -1.1784 | |
120 | A | B | -0.9376 | |
121 | I | B | -0.9386 | |
122 | R | B | -2.4166 | |
123 | N | B | -1.8213 | |
124 | Y | B | -0.6651 | |
125 | T | B | -0.1208 | |
126 | L | B | 0.0692 | |
127 | W | B | 0.5035 | |
128 | R | B | -0.6841 | |
129 | V | B | 0.0000 | |
130 | G | B | -1.2406 | |
131 | D | B | -1.9136 | |
132 | Y | B | -1.0461 | |
133 | G | B | -1.0546 | |
134 | S | B | 0.0000 | |
135 | L | B | 0.0000 | |
136 | S | B | -1.9135 | |
137 | G | B | -1.8409 | |
138 | R | B | -1.7705 | |
139 | E | B | -1.9777 | |
140 | K | B | -1.6924 | |
141 | M | B | 0.0000 | |
142 | M | B | 0.0000 | |
143 | A | B | 0.0000 | |
144 | E | B | 0.0000 | |
145 | I | B | 0.0000 | |
146 | Y | B | 0.2254 | |
147 | A | B | 0.1832 | |
148 | N | B | -0.6322 | |
149 | G | B | 0.0000 | |
150 | P | B | 0.0000 | |
151 | I | B | 0.0000 | |
152 | S | B | 0.0000 | |
153 | C | B | 0.0000 | |
154 | G | B | 0.0000 | |
155 | I | B | 0.0000 | |
156 | M | B | 0.0000 | |
157 | A | B | 0.0000 | |
158 | T | B | 0.0000 | |
159 | E | B | -2.3589 | |
160 | R | B | -2.6195 | |
161 | L | B | 0.0000 | |
162 | A | B | -1.4343 | |
163 | N | B | -1.9620 | |
164 | Y | B | 0.0000 | |
165 | T | B | -1.0338 | |
166 | G | B | -0.9500 | |
167 | G | B | -0.2185 | |
168 | I | B | 0.4038 | |
169 | Y | B | 0.0000 | |
170 | A | B | -0.0316 | |
171 | E | B | -0.3521 | |
172 | Y | B | 0.1989 | |
173 | Q | B | -0.9209 | |
174 | D | B | -2.0595 | |
175 | T | B | -0.8548 | |
176 | T | B | -0.2106 | |
177 | Y | B | 1.0925 | |
178 | I | B | 0.3412 | |
179 | N | B | -0.0645 | |
180 | H | B | 0.0000 | |
181 | V | B | 0.0000 | |
182 | V | B | 0.0000 | |
183 | S | B | 0.0000 | |
184 | V | B | 0.0000 | |
185 | A | B | 0.0000 | |
186 | G | B | 0.0000 | |
187 | W | B | 0.0000 | |
188 | G | B | 0.0000 | |
189 | I | B | -0.1907 | |
190 | S | B | -0.6685 | |
191 | D | B | -1.9103 | |
192 | G | B | -1.1659 | |
193 | T | B | -0.6226 | |
194 | E | B | -0.3612 | |
195 | Y | B | 0.2276 | |
196 | W | B | 0.0000 | |
197 | I | B | 0.0000 | |
198 | V | B | 0.0000 | |
199 | R | B | 0.0000 | |
200 | N | B | 0.0000 | |
201 | S | B | 0.0000 | |
202 | W | B | -0.4331 | |
203 | G | B | 0.0000 | |
204 | E | B | -2.1663 | |
205 | P | B | -1.5370 | |
206 | W | B | 0.0000 | |
207 | G | B | -1.5951 | |
208 | E | B | -1.9939 | |
209 | R | B | -2.7830 | |
210 | G | B | 0.0000 | |
211 | W | B | 0.0000 | |
212 | L | B | 0.0000 | |
213 | R | B | -0.3818 | |
214 | I | B | 0.0000 | |
215 | V | B | 0.0000 | |
216 | T | B | 0.0000 | |
217 | S | B | -1.2410 | |
218 | T | B | -1.2423 | |
219 | Y | B | -1.5312 | |
220 | K | B | -2.7526 | |
221 | D | B | -2.8826 | |
222 | G | B | -2.3326 | |
223 | K | B | -2.5706 | |
224 | G | B | 0.0000 | |
225 | A | B | -1.6328 | |
226 | R | B | -2.2035 | |
227 | Y | B | -0.7705 | |
228 | N | B | 0.0000 | |
229 | L | B | 0.0000 | |
230 | A | B | 0.0000 | |
231 | I | B | 0.0000 | |
232 | E | B | -1.5260 | |
233 | E | B | -1.8177 | |
234 | H | B | -1.6556 | |
235 | C | B | 0.0000 | |
236 | T | B | 0.0000 | |
237 | F | B | -0.3812 | |
238 | G | B | 0.0000 | |
239 | D | B | -1.0079 | |
240 | P | B | 0.0000 | |
241 | I | B | 1.9448 | |
242 | V | B | 2.2497 |