Chain sequence(s) |
A: QVQLQQSGPQLVRPGASVKISCKASGYSFTTYWMHWMKQRPGQGLEWIGVIDPSDSETRLSQKFKYKATLTVDKSSSTVYMQLSSPTSEDSAVYFCARGEFITTVWFDYWGQGTTLKVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC
B: IQMTQSTSSLSASLGDRVTIICRPSQDISNYLNWYQQKPDGTVKLLIYYASRLHSGVPSRFSGSGSGRHYSLTISNLEQEDIATYFCQQGDTLPYTFGGGTKLEIKRGLAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input PDB |
Selected Chain(s) | A,B |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | LK110B,LK154B,LE11A,LK177A |
Energy difference between WT (input) and mutated protein (by FoldX) | 4.02383 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 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] FoldX: Building mutant model (00:03:12) [INFO] FoldX: Starting FoldX energy minimalization (00:05:26) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:30) [INFO] Movie: Creting movie with webm format (00:19:22) [INFO] Main: Simulation completed successfully. (00:19:30) |
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 | I | B | -0.4664 | |
3 | Q | B | -1.4112 | |
4 | M | B | -1.4088 | |
5 | T | B | -1.1490 | |
6 | Q | B | -0.7841 | |
7 | S | B | -0.7516 | |
8 | T | B | -0.4527 | |
9 | S | B | -0.7728 | |
10 | S | B | -0.8549 | |
11 | L | B | -0.4104 | |
12 | S | B | -0.8875 | |
13 | A | B | 0.0000 | |
14 | S | B | -0.8174 | |
15 | L | B | -0.3192 | |
16 | G | B | -1.3651 | |
17 | D | B | -1.8644 | |
18 | R | B | -2.5703 | |
19 | V | B | 0.0000 | |
20 | T | B | -0.4890 | |
21 | I | B | 0.0000 | |
22 | I | B | -0.3674 | |
23 | C | B | 0.0000 | |
24 | R | B | -3.3141 | |
25 | P | B | 0.0000 | |
26 | S | B | -2.2386 | |
27 | Q | B | -3.0385 | |
28 | D | B | -3.5088 | |
29 | I | B | 0.0000 | |
30 | S | B | -1.4730 | |
31 | N | B | -0.8922 | |
32 | Y | B | -0.0210 | |
33 | L | B | 0.0000 | |
34 | N | B | 0.0000 | |
35 | W | B | 0.0000 | |
36 | Y | B | 0.0000 | |
37 | Q | B | 0.0000 | |
38 | Q | B | -1.3830 | |
39 | K | B | -1.9739 | |
40 | P | B | -1.8586 | |
41 | D | B | -2.3182 | |
42 | G | B | -1.8690 | |
43 | T | B | -1.2480 | |
44 | V | B | 0.0000 | |
45 | K | B | -1.3754 | |
46 | L | B | 0.0000 | |
47 | L | B | 0.0000 | |
48 | I | B | 0.0000 | |
49 | Y | B | 0.0913 | |
50 | Y | B | 0.2204 | |
51 | A | B | 0.0000 | |
52 | S | B | -0.8987 | |
53 | R | B | -1.4271 | |
54 | L | B | -0.3455 | |
55 | H | B | -0.5472 | |
56 | S | B | -0.5266 | |
57 | G | B | -0.4610 | |
58 | V | B | -0.3136 | |
59 | P | B | -0.3186 | |
60 | S | B | -0.5588 | |
61 | R | B | -1.2184 | |
62 | F | B | 0.0000 | |
63 | S | B | -0.6405 | |
64 | G | B | -0.4758 | |
65 | S | B | -0.7686 | |
66 | G | B | -1.1825 | |
67 | S | B | -1.6352 | |
68 | G | B | -2.6355 | |
69 | R | B | -3.9812 | |
70 | H | B | -2.8141 | |
71 | Y | B | 0.0000 | |
72 | S | B | -0.5430 | |
73 | L | B | 0.0000 | |
74 | T | B | -0.7346 | |
75 | I | B | 0.0000 | |
76 | S | B | -2.0292 | |
77 | N | B | -2.3936 | |
78 | L | B | 0.0000 | |
79 | E | B | -2.1783 | |
80 | Q | B | -2.1126 | |
81 | E | B | -2.5545 | |
82 | D | B | 0.0000 | |
83 | I | B | -0.9219 | |
84 | A | B | 0.0000 | |
85 | T | B | 0.0000 | |
86 | Y | B | 0.0000 | |
87 | F | B | 0.0000 | |
88 | C | B | 0.0000 | |
89 | Q | B | 0.0000 | |
90 | Q | B | 0.0000 | |
91 | G | B | 0.0000 | |
92 | D | B | -0.2885 | |
93 | T | B | 0.6337 | |
94 | L | B | 0.7555 | |
95 | P | B | -0.2565 | |
96 | Y | B | 0.0000 | |
97 | T | B | -0.3010 | |
98 | F | B | -0.3503 | |
99 | G | B | 0.0000 | |
100 | G | B | -1.0913 | |
101 | G | B | -1.0111 | |
102 | T | B | 0.0000 | |
103 | K | B | -1.8544 | |
104 | L | B | 0.0000 | |
105 | E | B | 0.0000 | |
106 | I | B | -0.5011 | |
107 | K | B | -1.7842 | |
108 | R | B | -2.2525 | |
109 | G | B | -2.0420 | |
110 | K | B | -2.6336 | mutated: LK110B |
111 | A | B | -1.3927 | |
112 | A | B | -0.7585 | |
113 | P | B | 0.0000 | |
114 | S | B | -0.0947 | |
115 | V | B | -0.2118 | |
116 | F | B | 0.0000 | |
117 | I | B | 0.0000 | |
118 | F | B | 0.0000 | |
119 | P | B | 0.0000 | |
120 | P | B | 0.0000 | |
121 | S | B | 0.0000 | |
122 | D | B | -2.9503 | |
123 | E | B | -3.1138 | |
124 | Q | B | 0.0000 | |
125 | L | B | -2.1771 | |
126 | K | B | -2.7973 | |
127 | S | B | -1.7874 | |
128 | G | B | -1.2902 | |
129 | T | B | -1.0632 | |
130 | A | B | 0.0000 | |
131 | S | B | 0.0000 | |
132 | V | B | 0.0000 | |
133 | V | B | 0.0000 | |
134 | C | B | 0.0000 | |
135 | L | B | 0.0000 | |
136 | L | B | 0.0000 | |
137 | N | B | 0.0000 | |
138 | N | B | -0.8350 | |
139 | F | B | 0.0000 | |
140 | Y | B | 0.0000 | |
141 | P | B | -2.0092 | |
142 | R | B | -2.0993 | |
143 | E | B | -2.6378 | |
144 | A | B | -2.0449 | |
145 | K | B | -2.3672 | |
146 | V | B | -1.3168 | |
147 | Q | B | -1.5795 | |
148 | W | B | 0.0000 | |
149 | K | B | -2.0072 | |
150 | V | B | 0.0000 | |
151 | D | B | -2.7591 | |
152 | N | B | -2.5351 | |
153 | A | B | -1.9497 | |
154 | K | B | -2.6752 | mutated: LK154B |
155 | Q | B | -1.9336 | |
156 | S | B | -1.4446 | |
157 | G | B | -1.3238 | |
158 | N | B | -1.6806 | |
159 | S | B | -1.5655 | |
160 | Q | B | -1.8352 | |
161 | E | B | -1.8734 | |
162 | S | B | -0.8769 | |
163 | V | B | -0.3829 | |
164 | T | B | -0.8554 | |
165 | E | B | -1.9204 | |
166 | Q | B | 0.0000 | |
167 | D | B | -1.7181 | |
168 | S | B | -1.6332 | |
169 | K | B | -2.3731 | |
170 | D | B | -2.1223 | |
171 | S | B | -1.8601 | |
172 | T | B | 0.0000 | |
173 | Y | B | 0.0000 | |
174 | S | B | 0.0000 | |
175 | L | B | 0.0000 | |
176 | S | B | 0.0000 | |
177 | S | B | 0.0000 | |
178 | T | B | -0.7822 | |
179 | L | B | 0.0000 | |
180 | T | B | -0.6915 | |
181 | L | B | -0.9562 | |
182 | S | B | -1.1985 | |
183 | K | B | -2.2451 | |
184 | A | B | -2.0631 | |
185 | D | B | -2.9451 | |
186 | Y | B | 0.0000 | |
187 | E | B | -3.7818 | |
188 | K | B | -3.8243 | |
189 | H | B | -3.0214 | |
190 | K | B | -3.0415 | |
191 | V | B | -1.3452 | |
192 | Y | B | 0.0000 | |
193 | A | B | 0.0000 | |
194 | C | B | 0.0000 | |
195 | E | B | -1.2801 | |
196 | V | B | 0.0000 | |
197 | T | B | -1.2999 | |
198 | H | B | 0.0000 | |
199 | Q | B | -2.1833 | |
200 | G | B | -1.3507 | |
201 | L | B | -0.5118 | |
202 | S | B | -0.4611 | |
203 | S | B | -0.4443 | |
204 | P | B | -0.6869 | |
205 | V | B | -0.0828 | |
206 | T | B | -0.5639 | |
207 | K | B | -0.8557 | |
208 | S | B | -0.6684 | |
209 | F | B | 0.0000 | |
210 | N | B | -1.7908 | |
211 | R | B | -2.3738 | |
212 | G | B | -2.1838 | |
213 | E | B | -2.4415 | |
1 | Q | A | -1.0576 | |
2 | V | A | -0.3256 | |
3 | Q | A | -1.6003 | |
4 | L | A | 0.0000 | |
5 | Q | A | -2.1871 | |
6 | Q | A | 0.0000 | |
7 | S | A | -1.2094 | |
8 | G | A | -1.0190 | |
9 | P | A | -1.1449 | |
10 | Q | A | -1.9080 | |
11 | E | A | -2.5760 | mutated: LE11A |
12 | V | A | -1.9638 | |
13 | R | A | -2.4965 | |
14 | P | A | -1.5823 | |
15 | G | A | -1.1160 | |
16 | A | A | -0.8287 | |
17 | S | A | -1.0648 | |
18 | V | A | 0.0000 | |
19 | K | A | -1.9895 | |
20 | I | A | 0.0000 | |
21 | S | A | -0.9369 | |
22 | C | A | 0.0000 | |
23 | K | A | -1.9059 | |
24 | A | A | -1.3399 | |
25 | S | A | -0.7480 | |
26 | G | A | -0.4667 | |
27 | Y | A | 0.8750 | |
28 | S | A | 0.0000 | |
29 | F | A | 0.0000 | |
30 | T | A | -0.2354 | |
31 | T | A | 0.1957 | |
32 | Y | A | 0.3542 | |
33 | W | A | 0.1786 | |
34 | M | A | 0.0000 | |
35 | H | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | M | A | 0.0000 | |
38 | K | A | 0.0000 | |
39 | Q | A | -1.2345 | |
40 | R | A | -2.0261 | |
41 | P | A | -1.3016 | |
42 | G | A | -1.4788 | |
43 | Q | A | -2.1434 | |
44 | G | A | -1.4742 | |
45 | L | A | 0.0000 | |
46 | E | A | -1.4519 | |
47 | W | A | 0.0000 | |
48 | I | A | 0.0000 | |
49 | G | A | 0.0000 | |
50 | V | A | 0.0000 | |
51 | I | A | 0.0000 | |
52 | D | A | -1.5877 | |
53 | P | A | 0.0000 | |
54 | S | A | -1.8355 | |
55 | D | A | -2.7983 | |
56 | S | A | -2.3999 | |
57 | E | A | -2.7530 | |
58 | T | A | -1.9179 | |
59 | R | A | -2.3713 | |
60 | L | A | -1.5040 | |
61 | S | A | 0.0000 | |
62 | Q | A | -2.4782 | |
63 | K | A | -2.5944 | |
64 | F | A | 0.0000 | |
65 | K | A | -2.2486 | |
66 | Y | A | -0.0735 | |
67 | K | A | -0.5808 | |
68 | A | A | 0.0000 | |
69 | T | A | -0.7309 | |
70 | L | A | 0.0000 | |
71 | T | A | -0.4459 | |
72 | V | A | -1.2634 | |
73 | D | A | -1.9935 | |
74 | K | A | -2.5224 | |
75 | S | A | -1.3207 | |
76 | S | A | -1.2650 | |
77 | S | A | -1.3057 | |
78 | T | A | 0.0000 | |
79 | V | A | 0.0000 | |
80 | Y | A | -0.5382 | |
81 | M | A | 0.0000 | |
82 | Q | A | -1.3255 | |
83 | L | A | 0.0000 | |
84 | S | A | -0.5781 | |
85 | S | A | -0.5948 | |
86 | P | A | 0.0000 | |
87 | T | A | -1.2880 | |
88 | S | A | -1.4162 | |
89 | E | A | -2.0938 | |
90 | D | A | 0.0000 | |
91 | S | A | -1.2466 | |
92 | A | A | 0.0000 | |
93 | V | A | -0.2938 | |
94 | Y | A | 0.0000 | |
95 | F | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | R | A | 0.0000 | |
99 | G | A | 0.0000 | |
100 | E | A | 0.5005 | |
101 | F | A | 1.0447 | |
102 | I | A | 2.1085 | |
103 | T | A | 1.1302 | |
104 | T | A | 0.0000 | |
105 | V | A | 0.0000 | |
106 | W | A | 1.0591 | |
107 | F | A | 0.0000 | |
108 | D | A | 0.0542 | |
109 | Y | A | 0.3281 | |
110 | W | A | -0.4046 | |
111 | G | A | 0.0000 | |
112 | Q | A | -1.7920 | |
113 | G | A | -1.0423 | |
114 | T | A | 0.0000 | |
115 | T | A | -0.7933 | |
116 | L | A | 0.0000 | |
117 | K | A | -1.7402 | |
118 | V | A | 0.0000 | |
119 | S | A | 0.0000 | |
120 | S | A | -1.1865 | |
121 | A | A | -0.8969 | |
122 | S | A | -0.9580 | |
123 | T | A | -0.7826 | |
124 | K | A | -1.4313 | |
125 | G | A | -1.5176 | |
126 | P | A | 0.0000 | |
127 | S | A | -0.4539 | |
128 | V | A | 0.0000 | |
129 | F | A | 0.0000 | |
130 | P | A | -1.2517 | |
131 | L | A | 0.0000 | |
132 | A | A | 0.0000 | |
133 | P | A | 0.0000 | |
134 | S | A | 0.0000 | |
135 | S | A | -0.8138 | |
136 | K | A | -1.1761 | |
137 | S | A | 0.0000 | |
138 | T | A | -0.6753 | |
139 | S | A | -0.6946 | |
140 | G | A | -0.8227 | |
141 | G | A | -0.8898 | |
142 | T | A | -0.6066 | |
143 | A | A | 0.0000 | |
144 | A | A | 0.0000 | |
145 | L | A | 0.0000 | |
146 | G | A | 0.0000 | |
147 | C | A | 0.0000 | |
148 | L | A | 0.0000 | |
149 | V | A | 0.0000 | |
150 | K | A | 0.0000 | |
151 | D | A | -0.7242 | |
152 | Y | A | 0.0000 | |
153 | F | A | 0.0000 | |
154 | P | A | 0.0000 | |
155 | E | A | -0.9404 | |
156 | P | A | -0.8770 | |
157 | V | A | -0.8058 | |
158 | T | A | -0.7241 | |
159 | V | A | -0.4292 | |
160 | S | A | -0.4633 | |
161 | W | A | 0.0000 | |
162 | N | A | -0.7980 | |
163 | S | A | -0.6968 | |
164 | G | A | -0.5410 | |
165 | A | A | -0.2487 | |
166 | L | A | -0.0524 | |
167 | T | A | -0.2216 | |
168 | S | A | -0.2834 | |
169 | G | A | -0.4382 | |
170 | V | A | 0.0972 | |
171 | H | A | -0.3006 | |
172 | T | A | 0.0270 | |
173 | F | A | 0.0000 | |
174 | P | A | -0.5888 | |
175 | A | A | -0.3908 | |
176 | V | A | -0.7509 | |
177 | K | A | -1.2577 | mutated: LK177A |
178 | Q | A | -0.8698 | |
179 | S | A | -0.5813 | |
180 | S | A | -0.5900 | |
181 | G | A | -0.5658 | |
182 | L | A | -0.6352 | |
183 | Y | A | -0.5965 | |
184 | S | A | 0.0000 | |
185 | L | A | -0.1674 | |
186 | S | A | 0.0000 | |
187 | S | A | 0.0000 | |
188 | V | A | 0.0000 | |
189 | V | A | 0.0000 | |
190 | T | A | -0.2117 | |
191 | V | A | 0.0000 | |
192 | P | A | -0.6243 | |
193 | S | A | -0.6493 | |
194 | S | A | -0.5828 | |
195 | S | A | -0.5648 | |
196 | L | A | -0.6862 | |
197 | G | A | -0.8708 | |
198 | T | A | -0.6787 | |
199 | Q | A | -0.9863 | |
200 | T | A | -1.1398 | |
201 | Y | A | 0.0000 | |
202 | I | A | -1.3634 | |
203 | C | A | 0.0000 | |
204 | N | A | -1.6114 | |
205 | V | A | 0.0000 | |
206 | N | A | -2.2919 | |
207 | H | A | 0.0000 | |
208 | K | A | -2.7897 | |
209 | P | A | -1.7177 | |
210 | S | A | -1.9228 | |
211 | N | A | -2.6232 | |
212 | T | A | -2.1906 | |
213 | K | A | -2.8056 | |
214 | V | A | -1.7087 | |
215 | D | A | -2.6220 | |
216 | K | A | -2.2369 | |
217 | K | A | -2.6002 | |
218 | V | A | 0.0000 | |
219 | E | A | -2.5499 | |
220 | P | A | -1.5394 | |
221 | K | A | -1.7447 | |
222 | S | A | -1.2707 | |
223 | C | A | -1.3624 |