Chain sequence(s) |
A: RTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIK
C: TIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTIK B: TIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTI input PDB |
Selected Chain(s) | A,C,B |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | Yes |
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 (00:00:01) [INFO] CABS: Running CABS flex simulation (00:24:59) [INFO] Analysis: Starting Aggrescan3D on model_10.pdb (07:17:32) [INFO] Analysis: Starting Aggrescan3D on model_7.pdb (07:17:57) [INFO] Analysis: Starting Aggrescan3D on model_9.pdb (07:18:22) [INFO] Analysis: Starting Aggrescan3D on model_8.pdb (07:18:46) [INFO] Analysis: Starting Aggrescan3D on model_11.pdb (07:19:11) [INFO] Analysis: Starting Aggrescan3D on model_6.pdb (07:19:36) [INFO] Analysis: Starting Aggrescan3D on model_4.pdb (07:20:01) [INFO] Analysis: Starting Aggrescan3D on model_2.pdb (07:20:27) [INFO] Analysis: Starting Aggrescan3D on model_5.pdb (07:20:51) [INFO] Analysis: Starting Aggrescan3D on model_1.pdb (07:21:15) [INFO] Analysis: Starting Aggrescan3D on model_0.pdb (07:21:39) [INFO] Analysis: Starting Aggrescan3D on model_3.pdb (07:22:04) [INFO] Analysis: Starting Aggrescan3D on input.pdb (07:22:29) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (07:23:59) [INFO] Movie: Creting movie with webm format (07:49:43) [INFO] Main: Simulation completed successfully. (07:50:07) |
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 | |
3 | R | A | -1.8016 | |
4 | T | A | -1.3641 | |
5 | I | A | -1.6072 | |
6 | K | A | -2.2042 | |
7 | V | A | 0.0000 | |
8 | F | A | 0.0871 | |
9 | T | A | 0.0000 | |
10 | T | A | 0.3175 | |
11 | V | A | 0.0000 | |
12 | D | A | -0.4024 | |
13 | N | A | 0.5318 | |
14 | I | A | 1.6101 | |
15 | N | A | 0.8167 | |
16 | L | A | 1.5209 | |
17 | H | A | 0.6097 | |
18 | T | A | 0.0604 | |
19 | Q | A | -0.0419 | |
20 | V | A | -0.3617 | |
21 | V | A | 0.0000 | |
22 | D | A | -0.6914 | |
23 | M | A | 0.3970 | |
24 | S | A | -0.2961 | |
25 | M | A | -0.5330 | |
26 | T | A | 0.0000 | |
27 | Y | A | 0.0000 | |
28 | G | A | -0.9701 | |
29 | Q | A | -1.3471 | |
30 | Q | A | -0.3153 | |
31 | F | A | -0.0077 | |
32 | G | A | -0.4424 | |
33 | P | A | -0.4286 | |
34 | T | A | 0.0000 | |
35 | Y | A | 0.0000 | |
36 | L | A | -0.7432 | |
37 | D | A | -1.7494 | |
38 | G | A | -1.2266 | |
39 | A | A | -0.9897 | |
40 | D | A | -1.3953 | |
41 | V | A | -0.6340 | |
42 | T | A | -0.6502 | |
43 | K | A | -1.3379 | |
44 | I | A | -1.3700 | |
45 | K | A | -2.5214 | |
46 | P | A | -2.2071 | |
47 | H | A | -2.0899 | |
48 | N | A | -1.9915 | |
49 | S | A | -1.7201 | |
50 | H | A | -1.7694 | |
51 | E | A | -2.6074 | |
52 | G | A | -1.9433 | |
53 | K | A | -2.0340 | |
54 | T | A | -0.9404 | |
55 | F | A | 0.0000 | |
56 | Y | A | -0.4251 | |
57 | V | A | 0.0000 | |
58 | L | A | -0.2332 | |
59 | P | A | 0.0000 | |
60 | N | A | -1.3171 | |
61 | D | A | -2.0089 | |
62 | D | A | -2.2006 | |
63 | T | A | -1.0159 | |
64 | L | A | 0.0000 | |
65 | R | A | -0.3788 | |
66 | V | A | 1.0435 | |
67 | E | A | 0.4261 | |
68 | A | A | 0.0000 | |
69 | F | A | 1.2592 | |
70 | E | A | -0.4102 | |
71 | Y | A | -0.0038 | |
72 | Y | A | 0.0000 | |
73 | H | A | -0.7126 | |
74 | T | A | 0.4061 | |
75 | T | A | 0.0000 | |
76 | D | A | 0.2169 | |
77 | P | A | -0.2997 | |
78 | S | A | -0.1785 | |
79 | F | A | -0.0035 | |
80 | L | A | 0.0000 | |
81 | G | A | -0.5653 | |
82 | R | A | -1.2013 | |
83 | Y | A | 0.0000 | |
84 | M | A | -0.8346 | |
85 | S | A | -0.6259 | |
86 | A | A | 0.0000 | |
87 | L | A | 0.0000 | |
88 | N | A | -1.5197 | |
89 | H | A | -1.0240 | |
90 | T | A | 0.0000 | |
91 | K | A | -2.3398 | |
92 | K | A | -2.4669 | |
93 | W | A | -1.8860 | |
94 | K | A | -2.8684 | |
95 | Y | A | -1.7124 | |
96 | P | A | -1.2717 | |
97 | Q | A | -1.6410 | |
98 | V | A | 0.0000 | |
99 | N | A | -1.3873 | |
100 | G | A | -1.2266 | |
101 | L | A | -0.8085 | |
102 | T | A | -1.0645 | |
103 | S | A | 0.0000 | |
104 | I | A | 0.0000 | |
105 | K | A | -1.3916 | |
106 | W | A | 0.0000 | |
107 | A | A | -0.6168 | |
108 | D | A | -1.2441 | |
109 | N | A | 0.0000 | |
110 | N | A | -0.8715 | |
111 | C | A | -0.4629 | |
112 | Y | A | -0.5070 | |
113 | L | A | 0.0000 | |
114 | A | A | 0.0000 | |
115 | T | A | 0.0000 | |
116 | A | A | 0.0000 | |
117 | L | A | 0.0000 | |
118 | L | A | 0.0000 | |
119 | T | A | 0.0000 | |
120 | L | A | 0.0000 | |
121 | Q | A | -1.6804 | |
122 | Q | A | -1.4338 | |
123 | I | A | 0.0000 | |
124 | E | A | -2.3908 | |
125 | L | A | 0.0000 | |
126 | K | A | -1.9314 | |
127 | F | A | 0.0000 | |
128 | N | A | -1.6348 | |
129 | P | A | -1.2535 | |
130 | P | A | -1.4090 | |
131 | A | A | -1.1762 | |
132 | L | A | 0.0000 | |
133 | Q | A | -1.5272 | |
134 | D | A | -1.8765 | |
135 | A | A | 0.0000 | |
136 | Y | A | -1.2331 | |
137 | Y | A | -0.5543 | |
138 | R | A | -1.8337 | |
139 | A | A | 0.0000 | |
140 | R | A | -2.0361 | |
141 | A | A | -1.2577 | |
142 | G | A | -2.0128 | |
143 | E | A | -2.8432 | |
144 | A | A | 0.0000 | |
145 | A | A | 0.0000 | |
146 | N | A | -0.8707 | |
147 | F | A | 0.0000 | |
148 | C | A | 0.0000 | |
149 | A | A | 0.0000 | |
150 | L | A | 0.0000 | |
151 | I | A | 0.0000 | |
152 | L | A | 0.0000 | |
153 | A | A | 0.0000 | |
154 | Y | A | -0.5147 | |
155 | C | A | 0.0000 | |
156 | N | A | -2.1019 | |
157 | K | A | -2.4965 | |
158 | T | A | -1.7462 | |
159 | V | A | -1.3518 | |
160 | G | A | -1.4841 | |
161 | E | A | -1.5697 | |
162 | L | A | -0.7859 | |
163 | G | A | -1.3841 | |
164 | D | A | -1.3485 | |
165 | V | A | 0.0000 | |
166 | R | A | -1.6916 | |
167 | E | A | -1.2419 | |
168 | T | A | 0.0000 | |
169 | M | A | 0.0000 | |
170 | S | A | -0.9985 | |
171 | Y | A | -0.5923 | |
172 | L | A | 0.0000 | |
173 | F | A | 0.0000 | |
174 | Q | A | -1.5141 | |
175 | H | A | -1.1642 | |
176 | A | A | -1.5094 | |
177 | N | A | -2.0745 | |
178 | L | A | -1.3947 | |
179 | D | A | -1.9421 | |
180 | S | A | -1.9042 | |
181 | C | A | 0.0000 | |
182 | K | A | -2.5776 | |
183 | R | A | 0.0000 | |
184 | V | A | 0.0000 | |
185 | L | A | 0.0000 | |
186 | N | A | 0.0000 | |
187 | V | A | -1.1169 | |
188 | V | A | -1.3552 | |
189 | C | A | 0.0000 | |
190 | K | A | -1.9729 | |
191 | T | A | -1.2151 | |
192 | C | A | -1.0697 | |
193 | G | A | -1.7231 | |
194 | Q | A | -2.1619 | |
195 | Q | A | -2.0494 | |
196 | Q | A | -1.9382 | |
197 | T | A | -1.1339 | |
198 | T | A | -0.9773 | |
199 | L | A | -1.4191 | |
200 | K | A | -2.4870 | |
201 | G | A | -1.9034 | |
202 | V | A | -1.4957 | |
203 | E | A | -2.0291 | |
204 | A | A | 0.0000 | |
205 | V | A | 0.0000 | |
206 | M | A | -0.3068 | |
207 | Y | A | 0.0000 | |
208 | M | A | 0.7895 | |
209 | G | A | 0.1491 | |
210 | T | A | 0.0000 | |
211 | L | A | -0.0651 | |
212 | S | A | -0.4913 | |
213 | Y | A | -1.4695 | |
214 | E | A | -2.8670 | |
215 | Q | A | -2.3286 | |
216 | F | A | 0.0000 | |
217 | K | A | -2.3172 | |
218 | K | A | -2.9835 | |
219 | G | A | -1.7496 | |
220 | V | A | -0.4240 | |
221 | Q | A | -0.7744 | |
222 | I | A | 0.1981 | |
223 | P | A | -0.5844 | |
224 | C | A | 0.1002 | |
225 | T | A | -0.1124 | |
226 | C | A | -0.4631 | |
227 | G | A | -1.5656 | |
228 | K | A | -2.1547 | |
229 | Q | A | -2.1835 | |
230 | A | A | 0.0000 | |
231 | T | A | -0.8054 | |
232 | K | A | -0.8922 | |
233 | Y | A | 0.0000 | |
234 | L | A | 0.0000 | |
235 | V | A | -0.3070 | |
236 | Q | A | -0.6828 | |
237 | Q | A | 0.0000 | |
238 | E | A | -2.4002 | |
239 | S | A | 0.0000 | |
240 | P | A | -1.6843 | |
241 | F | A | 0.0000 | |
242 | V | A | 0.0000 | |
243 | M | A | 0.0000 | |
244 | M | A | 0.0000 | |
245 | S | A | -0.1076 | |
246 | A | A | -0.0713 | |
247 | P | A | -0.5588 | |
248 | P | A | -0.5055 | |
249 | A | A | -0.7704 | |
250 | Q | A | -1.8006 | |
251 | Y | A | -1.9894 | |
252 | E | A | -3.5939 | |
253 | L | A | 0.0000 | |
254 | K | A | -4.2349 | |
255 | H | A | -3.4706 | |
256 | G | A | -2.0687 | |
257 | T | A | -1.4125 | |
258 | F | A | 0.0000 | |
259 | T | A | -0.7936 | |
260 | C | A | 0.0000 | |
261 | A | A | 0.0000 | |
262 | S | A | 0.0000 | |
263 | E | A | -0.4271 | |
264 | Y | A | 0.1829 | |
265 | T | A | -0.1898 | |
266 | G | A | -0.7915 | |
267 | N | A | -0.8596 | |
268 | Y | A | -0.4077 | |
269 | Q | A | -1.2459 | |
270 | C | A | -0.9161 | |
271 | G | A | -0.9017 | |
272 | H | A | 0.0000 | |
273 | Y | A | 0.0000 | |
274 | K | A | -0.2198 | |
275 | H | A | 0.0000 | |
276 | I | A | 0.0000 | |
277 | T | A | 0.0000 | |
278 | S | A | -1.5764 | |
279 | K | A | -3.5346 | |
280 | E | A | -3.6560 | |
281 | T | A | -2.3297 | |
282 | L | A | 0.0000 | |
283 | Y | A | -1.1042 | |
284 | C | A | -0.4983 | |
285 | I | A | 0.0000 | |
286 | D | A | 0.2590 | |
287 | G | A | 0.0000 | |
288 | A | A | 0.1837 | |
289 | L | A | 1.1472 | |
290 | L | A | 0.6849 | |
291 | T | A | -0.1914 | |
292 | K | A | -1.6173 | |
293 | S | A | -2.1428 | |
294 | S | A | -3.1032 | |
295 | E | A | -4.2520 | |
296 | Y | A | 0.0000 | |
297 | K | A | -3.1285 | |
298 | G | A | 0.0000 | |
299 | P | A | -1.1368 | |
300 | I | A | 0.0000 | |
301 | T | A | -0.4410 | |
302 | D | A | 0.0000 | |
303 | V | A | 0.0000 | |
304 | F | A | 0.0000 | |
305 | Y | A | -1.2258 | |
306 | K | A | -2.6218 | |
307 | E | A | -2.5999 | |
308 | N | A | -1.7509 | |
309 | S | A | -1.1543 | |
310 | Y | A | 0.2860 | |
311 | T | A | 0.1513 | |
312 | T | A | 0.1035 | |
313 | T | A | -0.4060 | |
314 | I | A | -0.4431 | |
315 | K | A | -1.6810 | |
4 | T | B | -0.4315 | |
5 | I | B | -0.9084 | |
6 | K | B | -1.7110 | |
7 | V | B | 0.0000 | |
8 | F | B | 0.3779 | |
9 | T | B | 0.0000 | |
10 | T | B | 0.0000 | |
11 | V | B | 0.0000 | |
12 | D | B | -0.9423 | |
13 | N | B | -1.5328 | |
14 | I | B | -0.4100 | |
15 | N | B | -0.2433 | |
16 | L | B | 1.0387 | |
17 | H | B | 0.5446 | |
18 | T | B | 0.2424 | |
19 | Q | B | 0.0980 | |
20 | V | B | 0.6670 | |
21 | V | B | 0.0000 | |
22 | D | B | -0.4507 | |
23 | M | B | 0.5083 | |
24 | S | B | 0.1877 | |
25 | M | B | 0.2709 | |
26 | T | B | -0.5374 | |
27 | Y | B | 0.0000 | |
28 | G | B | -1.0059 | |
29 | Q | B | -1.7423 | |
30 | Q | B | -1.7166 | |
31 | F | B | -1.1540 | |
32 | G | B | -0.9163 | |
33 | P | B | -1.0145 | |
34 | T | B | 0.0000 | |
35 | Y | B | 0.0000 | |
36 | L | B | -0.8076 | |
37 | D | B | -2.1369 | |
38 | G | B | 0.0000 | |
39 | A | B | -1.4678 | |
40 | D | B | -1.9583 | |
41 | V | B | -0.6741 | |
42 | T | B | -0.5965 | |
43 | K | B | -0.9613 | |
44 | I | B | -0.5807 | |
45 | K | B | -1.0737 | |
46 | P | B | -1.1163 | |
47 | H | B | -1.2992 | |
48 | N | B | -1.0221 | |
49 | S | B | -1.1781 | |
50 | H | B | 0.0000 | |
51 | E | B | -2.3512 | |
52 | G | B | -1.7687 | |
53 | K | B | -1.5936 | |
54 | T | B | -0.7818 | |
55 | F | B | 0.0000 | |
56 | Y | B | 0.0000 | |
57 | V | B | 0.0000 | |
58 | L | B | -0.1883 | |
59 | P | B | -0.7775 | |
60 | N | B | -1.6342 | |
61 | D | B | -2.2043 | |
62 | D | B | -2.1600 | |
63 | T | B | -0.9108 | |
64 | L | B | 0.0000 | |
65 | R | B | -1.0229 | |
66 | V | B | 0.4630 | |
67 | E | B | -0.0859 | |
68 | A | B | 0.0000 | |
69 | F | B | 0.8339 | |
70 | E | B | -0.5901 | |
71 | Y | B | -0.2664 | |
72 | Y | B | 0.0000 | |
73 | H | B | -1.3251 | |
74 | T | B | 0.0000 | |
75 | T | B | 0.0000 | |
76 | D | B | -1.4459 | |
77 | P | B | -0.5435 | |
78 | S | B | -0.6921 | |
79 | F | B | 0.0000 | |
80 | L | B | 0.0000 | |
81 | G | B | -1.3260 | |
82 | R | B | -2.3602 | |
83 | Y | B | 0.0000 | |
84 | M | B | -1.1310 | |
85 | S | B | -1.3896 | |
86 | A | B | 0.0000 | |
87 | L | B | -1.6607 | |
88 | N | B | -2.2685 | |
89 | H | B | -1.8166 | |
90 | T | B | 0.0000 | |
91 | K | B | -3.1045 | |
92 | K | B | -2.7861 | |
93 | W | B | -1.7688 | |
94 | K | B | -2.7886 | |
95 | Y | B | 0.0000 | |
96 | P | B | -1.1752 | |
97 | Q | B | -1.2398 | |
98 | V | B | 0.1209 | |
99 | N | B | -0.9398 | |
100 | G | B | -1.3521 | |
101 | L | B | -0.7990 | |
102 | T | B | 0.0000 | |
103 | S | B | 0.0000 | |
104 | I | B | 0.0000 | |
105 | K | B | -0.7704 | |
106 | W | B | 0.0000 | |
107 | A | B | 0.0000 | |
108 | D | B | -1.2295 | |
109 | N | B | 0.0000 | |
110 | N | B | -0.9543 | |
111 | C | B | -0.4832 | |
112 | Y | B | 0.0000 | |
113 | L | B | 0.0000 | |
114 | A | B | 0.0000 | |
115 | T | B | 0.0000 | |
116 | A | B | 0.0000 | |
117 | L | B | 0.0000 | |
118 | L | B | 0.0000 | |
119 | T | B | 0.0000 | |
120 | L | B | 0.0000 | |
121 | Q | B | -1.0020 | |
122 | Q | B | -0.6505 | |
123 | I | B | -0.7232 | |
124 | E | B | -1.4308 | |
125 | L | B | -1.2450 | |
126 | K | B | -1.6183 | |
127 | F | B | 0.0000 | |
128 | N | B | -1.6559 | |
129 | P | B | 0.0000 | |
130 | P | B | -1.2743 | |
131 | A | B | 0.0000 | |
132 | L | B | 0.0000 | |
133 | Q | B | -1.3785 | |
134 | D | B | -1.4110 | |
135 | A | B | 0.0000 | |
136 | Y | B | 0.0000 | |
137 | Y | B | -0.7436 | |
138 | R | B | -1.9759 | |
139 | A | B | 0.0000 | |
140 | R | B | -2.1361 | |
141 | A | B | -1.4656 | |
142 | G | B | -1.6286 | |
143 | E | B | -1.8210 | |
144 | A | B | 0.0000 | |
145 | A | B | 0.0000 | |
146 | N | B | -1.0238 | |
147 | F | B | 0.0000 | |
148 | C | B | 0.0000 | |
149 | A | B | 0.0000 | |
150 | L | B | 0.0000 | |
151 | I | B | 0.0000 | |
152 | L | B | 0.0000 | |
153 | A | B | 0.0000 | |
154 | Y | B | 0.0000 | |
155 | C | B | 0.0000 | |
156 | N | B | -1.6185 | |
157 | K | B | -2.1760 | |
158 | T | B | -1.2686 | |
159 | V | B | 0.0000 | |
160 | G | B | -1.0436 | |
161 | E | B | -1.1919 | |
162 | L | B | 0.0000 | |
163 | G | B | 0.0000 | |
164 | D | B | -0.7766 | |
165 | V | B | -0.2217 | |
166 | R | B | -0.4211 | |
167 | E | B | -0.5420 | |
168 | T | B | 0.0000 | |
169 | M | B | 0.0000 | |
170 | S | B | -0.4666 | |
171 | Y | B | 0.0379 | |
172 | L | B | 0.0000 | |
173 | F | B | 0.0000 | |
174 | Q | B | -1.2016 | |
175 | H | B | -1.5657 | |
176 | A | B | 0.0000 | |
177 | N | B | -2.1864 | |
178 | L | B | -1.3650 | |
179 | D | B | -2.2070 | |
180 | S | B | -1.8107 | |
181 | C | B | 0.0000 | |
182 | K | B | -1.7906 | |
183 | R | B | 0.0000 | |
184 | V | B | 0.0000 | |
185 | L | B | 0.0000 | |
186 | N | B | 0.0000 | |
187 | V | B | -0.3760 | |
188 | V | B | -0.1026 | |
189 | C | B | -1.0379 | |
190 | K | B | -1.7651 | |
191 | T | B | -0.9644 | |
192 | C | B | -0.7864 | |
193 | G | B | -1.2672 | |
194 | Q | B | -1.3155 | |
195 | Q | B | -1.5373 | |
196 | Q | B | -1.2498 | |
197 | T | B | -0.7610 | |
198 | T | B | -1.0063 | |
199 | L | B | -1.1338 | |
200 | K | B | -2.0052 | |
201 | G | B | -1.7566 | |
202 | V | B | -1.2796 | |
203 | E | B | -2.0324 | |
204 | A | B | 0.0000 | |
205 | V | B | 0.0000 | |
206 | M | B | 0.0480 | |
207 | Y | B | 0.4486 | |
208 | M | B | 0.9780 | |
209 | G | B | 0.4408 | |
210 | T | B | 0.2765 | |
211 | L | B | -0.0397 | |
212 | S | B | 0.0000 | |
213 | Y | B | -0.9124 | |
214 | E | B | -2.0680 | |
215 | Q | B | -1.2505 | |
216 | F | B | 0.0000 | |
217 | K | B | -1.7737 | |
218 | K | B | -2.3895 | |
219 | G | B | -1.2243 | |
220 | V | B | 0.4097 | |
221 | Q | B | -0.3495 | |
222 | I | B | 0.7867 | |
223 | P | B | -0.2102 | |
229 | Q | B | -1.1595 | |
230 | A | B | 0.0000 | |
231 | T | B | -0.4461 | |
232 | K | B | -0.4812 | |
233 | Y | B | -0.4958 | |
234 | L | B | 0.0000 | |
235 | V | B | 0.0000 | |
236 | Q | B | -0.3093 | |
237 | Q | B | 0.0000 | |
238 | E | B | -1.4754 | |
239 | S | B | -1.5191 | |
240 | P | B | -1.7295 | |
241 | F | B | 0.0000 | |
242 | V | B | 0.0000 | |
243 | M | B | 0.0000 | |
244 | M | B | 0.0000 | |
245 | S | B | 0.0000 | |
246 | A | B | 0.0000 | |
247 | P | B | -0.3826 | |
248 | P | B | -0.6595 | |
249 | A | B | -0.8532 | |
250 | Q | B | -1.8637 | |
251 | Y | B | 0.0000 | |
252 | E | B | -2.0001 | |
253 | L | B | 0.0000 | |
254 | K | B | -2.4988 | |
255 | H | B | -1.8946 | |
256 | G | B | -1.4597 | |
257 | T | B | -1.5541 | |
258 | F | B | 0.0000 | |
259 | T | B | -0.6946 | |
260 | C | B | 0.0000 | |
261 | A | B | 0.0000 | |
262 | S | B | 0.0000 | |
263 | E | B | 0.0000 | |
264 | Y | B | -0.1867 | |
265 | T | B | -0.2704 | |
266 | G | B | -0.3255 | |
267 | N | B | -0.0933 | |
268 | Y | B | 0.4404 | |
269 | Q | B | -0.0748 | |
270 | C | B | -0.3581 | |
271 | G | B | -0.3879 | |
272 | H | B | -0.5710 | |
273 | Y | B | 0.0000 | |
274 | K | B | -0.6910 | |
275 | H | B | 0.0000 | |
276 | I | B | 0.0000 | |
277 | T | B | -0.5730 | |
278 | S | B | -1.1522 | |
279 | K | B | -2.3018 | |
280 | E | B | -2.5833 | |
281 | T | B | -1.6898 | |
282 | L | B | 0.0000 | |
283 | Y | B | -0.1141 | |
284 | C | B | 0.0000 | |
285 | I | B | 0.0000 | |
286 | D | B | 0.3786 | |
287 | G | B | 0.2994 | |
288 | A | B | 0.8536 | |
289 | L | B | 1.8778 | |
290 | L | B | 1.7916 | |
291 | T | B | 0.3664 | |
292 | K | B | -1.1227 | |
293 | S | B | -1.3664 | |
294 | S | B | -1.7476 | |
295 | E | B | -2.3566 | |
296 | Y | B | -0.9282 | |
297 | K | B | -2.1173 | |
298 | G | B | -1.5434 | |
299 | P | B | -1.1048 | |
300 | I | B | 0.0000 | |
301 | T | B | 0.0000 | |
302 | D | B | 0.0000 | |
303 | V | B | 0.0000 | |
304 | F | B | 0.0000 | |
305 | Y | B | 0.0000 | |
306 | K | B | -2.2186 | |
307 | E | B | -2.5688 | |
308 | N | B | 0.0000 | |
309 | S | B | -0.5909 | |
310 | Y | B | 0.5772 | |
311 | T | B | 0.1061 | |
312 | T | B | 0.5246 | |
313 | T | B | 0.8540 | |
314 | I | B | 1.6891 | |
4 | T | C | -1.1778 | |
5 | I | C | 0.0000 | |
6 | K | C | -1.9909 | |
7 | V | C | 0.0000 | |
8 | F | C | 0.0131 | |
9 | T | C | 0.0000 | |
10 | T | C | 0.0000 | |
11 | V | C | 0.0000 | |
12 | D | C | 0.0000 | |
13 | N | C | -0.5639 | |
14 | I | C | -0.1595 | |
15 | N | C | -0.3954 | |
16 | L | C | 0.6265 | |
17 | H | C | -0.3697 | |
18 | T | C | -0.1880 | |
19 | Q | C | -0.3298 | |
20 | V | C | 0.3530 | |
21 | V | C | 0.0000 | |
22 | D | C | -1.4332 | |
23 | M | C | -0.3455 | |
24 | S | C | -0.5309 | |
25 | M | C | -0.7704 | |
26 | T | C | -0.7111 | |
27 | Y | C | -0.7548 | |
28 | G | C | -1.0230 | |
29 | Q | C | -1.7570 | |
30 | Q | C | -1.5688 | |
31 | F | C | 0.0000 | |
32 | G | C | -0.8936 | |
33 | P | C | -0.9683 | |
34 | T | C | 0.0000 | |
35 | Y | C | 0.0000 | |
36 | L | C | -1.1536 | |
37 | D | C | -2.0952 | |
38 | G | C | -1.9942 | |
39 | A | C | -1.5980 | |
40 | D | C | -2.2841 | |
41 | V | C | -0.9879 | |
42 | T | C | -0.6240 | |
43 | K | C | -0.6351 | |
44 | I | C | 0.3956 | |
45 | K | C | -0.9283 | |
46 | P | C | -1.0254 | |
47 | H | C | -1.7847 | |
48 | N | C | -2.1614 | |
49 | S | C | -1.4781 | |
50 | H | C | -2.5039 | |
51 | E | C | -3.2226 | |
52 | G | C | -2.3788 | |
53 | K | C | -2.4448 | |
54 | T | C | -1.0569 | |
55 | F | C | 0.0000 | |
56 | Y | C | -0.2516 | |
57 | V | C | 0.0000 | |
58 | L | C | 0.0000 | |
59 | P | C | -1.0418 | |
60 | N | C | -1.5233 | |
61 | D | C | -1.8275 | |
62 | D | C | -2.2090 | |
63 | T | C | -0.7066 | |
64 | L | C | -0.4801 | |
65 | R | C | -0.5998 | |
66 | V | C | 1.1290 | |
67 | E | C | 0.0000 | |
68 | A | C | 0.0000 | |
69 | F | C | 1.1645 | |
70 | E | C | -0.3994 | |
71 | Y | C | 0.0000 | |
72 | Y | C | 1.1198 | |
73 | H | C | 0.0000 | |
74 | T | C | 0.5798 | |
75 | T | C | 0.0000 | |
76 | D | C | 0.0000 | |
77 | P | C | -0.4452 | |
78 | S | C | -0.4885 | |
79 | F | C | -0.2788 | |
80 | L | C | 0.0000 | |
81 | G | C | -0.9646 | |
82 | R | C | -1.2666 | |
83 | Y | C | 0.0000 | |
84 | M | C | 0.0000 | |
85 | S | C | -1.1911 | |
86 | A | C | 0.0000 | |
87 | L | C | 0.0000 | |
88 | N | C | -2.0290 | |
89 | H | C | 0.0000 | |
90 | T | C | 0.0000 | |
91 | K | C | -2.6344 | |
92 | K | C | -2.5868 | |
93 | W | C | -1.7558 | |
94 | K | C | -2.1598 | |
95 | Y | C | -1.1634 | |
96 | P | C | -1.2016 | |
97 | Q | C | -1.9580 | |
98 | V | C | 0.0000 | |
99 | N | C | -1.5574 | |
100 | G | C | -1.6232 | |
101 | L | C | -1.1623 | |
102 | T | C | 0.0000 | |
103 | S | C | 0.0000 | |
104 | I | C | 0.0000 | |
105 | K | C | 0.0000 | |
106 | W | C | 0.0000 | |
107 | A | C | 0.0000 | |
108 | D | C | 0.0000 | |
109 | N | C | -0.4764 | |
110 | N | C | -0.5220 | |
111 | C | C | 0.0000 | |
112 | Y | C | 0.0000 | |
113 | L | C | 0.0000 | |
114 | A | C | 0.0000 | |
115 | T | C | 0.0000 | |
116 | A | C | 0.0000 | |
117 | L | C | 0.0000 | |
118 | L | C | 0.0000 | |
119 | T | C | 0.0000 | |
120 | L | C | 0.0000 | |
121 | Q | C | -1.6891 | |
122 | Q | C | -2.2205 | |
123 | I | C | 0.0000 | |
124 | E | C | -2.6861 | |
125 | L | C | 0.0000 | |
126 | K | C | -1.7374 | |
127 | F | C | 0.0000 | |
128 | N | C | -1.5273 | |
129 | P | C | -0.9187 | |
130 | P | C | -0.5899 | |
131 | A | C | 0.0000 | |
132 | L | C | 0.0000 | |
133 | Q | C | -0.8349 | |
134 | D | C | -0.7497 | |
135 | A | C | 0.0000 | |
136 | Y | C | 0.0000 | |
137 | Y | C | -0.2290 | |
138 | R | C | -1.8227 | |
139 | A | C | 0.0000 | |
140 | R | C | -2.4645 | |
141 | A | C | -1.5822 | |
142 | G | C | -1.7334 | |
143 | E | C | -2.5509 | |
144 | A | C | 0.0000 | |
145 | A | C | 0.0000 | |
146 | N | C | -1.0151 | |
147 | F | C | 0.0000 | |
148 | C | C | 0.0000 | |
149 | A | C | 0.0000 | |
150 | L | C | 0.0000 | |
151 | I | C | 0.0000 | |
152 | L | C | 0.0000 | |
153 | A | C | 0.0000 | |
154 | Y | C | 0.1196 | |
155 | C | C | 0.0000 | |
156 | N | C | -0.6279 | |
157 | K | C | -1.2542 | |
158 | T | C | -0.5528 | |
159 | V | C | 0.7903 | |
160 | G | C | -0.0988 | |
161 | E | C | -0.5921 | |
162 | L | C | -0.0599 | |
163 | G | C | 0.0000 | |
164 | D | C | -1.1409 | |
165 | V | C | 0.0000 | |
166 | R | C | -1.1602 | |
167 | E | C | -0.8700 | |
168 | T | C | 0.0000 | |
169 | M | C | 0.0000 | |
170 | S | C | -0.6462 | |
171 | Y | C | -0.1692 | |
172 | L | C | 0.0000 | |
173 | F | C | 0.0000 | |
174 | Q | C | -1.5819 | |
175 | H | C | -1.2118 | |
176 | A | C | -1.8785 | |
177 | N | C | -2.5470 | |
178 | L | C | -2.0114 | |
179 | D | C | -2.1636 | |
180 | S | C | -1.8204 | |
181 | C | C | 0.0000 | |
182 | K | C | -2.0776 | |
183 | R | C | 0.0000 | |
184 | V | C | 0.0000 | |
185 | L | C | 0.0000 | |
186 | N | C | 0.0000 | |
187 | V | C | -0.3548 | |
188 | V | C | -0.4173 | |
189 | C | C | -1.4939 | |
190 | K | C | -2.4168 | |
191 | T | C | -1.1976 | |
192 | C | C | -0.7380 | |
193 | G | C | -1.0985 | |
194 | Q | C | -1.1999 | |
195 | Q | C | -1.2658 | |
196 | Q | C | -1.5504 | |
197 | T | C | -0.6982 | |
198 | T | C | -1.1531 | |
199 | L | C | -1.5453 | |
200 | K | C | -2.4121 | |
201 | G | C | -2.2993 | |
202 | V | C | -1.5863 | |
203 | E | C | -2.3412 | |
204 | A | C | 0.0000 | |
205 | V | C | 0.0000 | |
206 | M | C | -0.0338 | |
207 | Y | C | 0.5857 | |
208 | M | C | 1.1748 | |
209 | G | C | 0.6105 | |
210 | T | C | -0.1226 | |
211 | L | C | 0.0000 | |
212 | S | C | 0.0000 | |
213 | Y | C | 0.0000 | |
214 | E | C | -2.5484 | |
215 | Q | C | -2.6819 | |
216 | F | C | 0.0000 | |
217 | K | C | -2.2005 | |
218 | K | C | -2.7371 | |
219 | G | C | -1.6203 | |
220 | V | C | -0.6491 | |
221 | Q | C | -0.8166 | |
222 | I | C | -0.3143 | |
223 | P | C | -0.9583 | |
224 | C | C | -1.0414 | |
225 | T | C | -0.9214 | |
226 | C | C | -1.0561 | |
227 | G | C | -2.0221 | |
228 | K | C | -2.7842 | |
229 | Q | C | -2.4895 | |
230 | A | C | 0.0000 | |
231 | T | C | -0.6603 | |
232 | K | C | 0.0000 | |
233 | Y | C | -0.3984 | |
234 | L | C | 0.0000 | |
235 | V | C | 0.0000 | |
236 | Q | C | -0.6242 | |
237 | Q | C | 0.0000 | |
238 | E | C | -1.6650 | |
239 | S | C | 0.0000 | |
240 | P | C | -1.9237 | |
241 | F | C | -1.3550 | |
242 | V | C | 0.0000 | |
243 | M | C | 0.0000 | |
244 | M | C | 0.0000 | |
245 | S | C | 0.0000 | |
246 | A | C | -0.1523 | |
247 | P | C | -0.3780 | |
248 | P | C | -0.6942 | |
249 | A | C | -1.1268 | |
250 | Q | C | -2.0416 | |
251 | Y | C | -1.9703 | |
252 | E | C | -2.9817 | |
253 | L | C | -2.1881 | |
254 | K | C | -2.7085 | |
255 | H | C | -1.5859 | |
256 | G | C | -1.2016 | |
257 | T | C | -1.0596 | |
258 | F | C | -0.7038 | |
259 | T | C | -0.9305 | |
260 | C | C | 0.0000 | |
261 | A | C | 0.0000 | |
262 | S | C | 0.0000 | |
263 | E | C | -0.4210 | |
264 | Y | C | -0.2040 | |
265 | T | C | -0.3923 | |
266 | G | C | -0.7423 | |
267 | N | C | -0.6693 | |
268 | Y | C | -0.3026 | |
269 | Q | C | -1.0242 | |
270 | C | C | -0.7733 | |
271 | G | C | -0.7405 | |
272 | H | C | -0.5990 | |
273 | Y | C | -0.4621 | |
274 | K | C | -0.5885 | |
275 | H | C | 0.0000 | |
276 | I | C | 0.0000 | |
277 | T | C | -0.3503 | |
278 | S | C | -0.4569 | |
279 | K | C | 0.0000 | |
280 | E | C | -2.5169 | |
281 | T | C | -1.6273 | |
282 | L | C | 0.0000 | |
283 | Y | C | -0.1451 | |
284 | C | C | -0.1702 | |
285 | I | C | 0.0000 | |
286 | D | C | -0.2681 | |
287 | G | C | 0.0000 | |
288 | A | C | 0.2971 | |
289 | L | C | 1.1145 | |
290 | L | C | 0.5519 | |
291 | T | C | -0.2700 | |
292 | K | C | -1.2614 | |
293 | S | C | -1.5457 | |
294 | S | C | -2.2709 | |
295 | E | C | -3.0152 | |
296 | Y | C | -2.6990 | |
297 | K | C | -3.0960 | |
298 | G | C | 0.0000 | |
299 | P | C | -1.1764 | |
300 | I | C | 0.0000 | |
301 | T | C | 0.0000 | |
302 | D | C | 0.0000 | |
303 | V | C | 0.0000 | |
304 | F | C | 0.0000 | |
305 | Y | C | -0.9004 | |
306 | K | C | -2.6992 | |
307 | E | C | -2.7205 | |
308 | N | C | -1.6700 | |
309 | S | C | -1.1349 | |
310 | Y | C | -0.3639 | |
311 | T | C | -0.1189 | |
312 | T | C | -0.0603 | |
313 | T | C | 0.0242 | |
314 | I | C | 0.1529 | |
315 | K | C | -1.5082 |
CABS-flex predictions of flexibility of input structure
In dynamic mode, A3D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted
by CABS-flex method, models are numbered from 0 to 11) and the input model.
Their A3D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A3D score, -0.7236 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A3D Score |
|||
model_1 | -0.7236 | View | CSV | PDB |
model_9 | -0.7543 | View | CSV | PDB |
model_8 | -0.7548 | View | CSV | PDB |
model_10 | -0.769 | View | CSV | PDB |
model_3 | -0.7715 | View | CSV | PDB |
model_4 | -0.7795 | View | CSV | PDB |
model_7 | -0.7838 | View | CSV | PDB |
model_5 | -0.7844 | View | CSV | PDB |
model_6 | -0.7936 | View | CSV | PDB |
model_11 | -0.8019 | View | CSV | PDB |
model_2 | -0.8076 | View | CSV | PDB |
model_0 | -0.8143 | View | CSV | PDB |
input | -0.8395 | View | CSV | PDB |