Project name: model_01-resi366-16 [mutate: GA366S, GB366S]

Status: done

submitted: 2018-01-03 12:40:33, status changed: 2018-01-03 13:06:24
Settings
Chain sequence(s) A: MNYEAYFRRQLDGLHREGRYRVFADLERHAGSFPRATHHRPEGAGDVTVWCSNDYLGMGQHPAVLTAMHEALDSCGAGAGGTRNIAGTNHYHVLLEQELAALHGKESALLFTSGYVSNWASLSTLASRMPGCVILSDELNHASMIEGIRHSRSETRIFAHNDPRDLERKLADLDPHAPKLVAFESVYSMDGDIAPIAEICDVADAHNAMTYLDEVHGVGLYGPNGGGIADREGISHRLTIIEGTLAKAFGVVGGYIAGSSAVCDFVRSFASGFIFSTSPPPAVAAGALASIRHLRASSAERERHQDRVARLRARLDQAGVAHMPNPSHIVPVMVGDAALCKQISDELISRYGIYVQPINYPTVPRGTERLRITPSPQHTDADIEHLVQALSEIWT
B: MNYEAYFRRQLDGLHREGRYRVFADLERHAGSFPRATHHRPEGAGDVTVWCSNDYLGMGQHPAVLTAMHEALDSCGAGAGGTRNIAGTNHYHVLLEQELAALHGKESALLFTSGYVSNWASLSTLASRMPGCVILSDELNHASMIEGIRHSRSETRIFAHNDPRDLERKLADLDPHAPKLVAFESVYSMDGDIAPIAEICDVADAHNAMTYLDEVHGVGLYGPNGGGIADREGISHRLTIIEGTLAKAFGVVGGYIAGSSAVCDFVRSFASGFIFSTSPPPAVAAGALASIRHLRASSAERERHQDRVARLRARLDQAGVAHMPNPSHIVPVMVGDAALCKQISDELISRYGIYVQPINYPTVPRGTERLRITPSPQHTDADIEHLVQALSEI
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues GA366S, GB366S
Energy difference between WT (input) and mutated protein (by FoldX) 6.21013 kcal/mol
Show buried residues

Minimal score value
-2.367
Maximal score value
1.809
Average score
-0.2877
Total score value
-226.7036

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
mutation
1 M A 0.1998
2 N A -1.1929
3 Y A 0.0000
4 E A -1.8173
5 A A -0.2062
6 Y A 0.5801
7 F A 0.0000
8 R A -2.1774
9 R A -2.2552
10 Q A -0.6189
11 L A 0.0601
12 D A -0.4003
13 G A -0.3698
14 L A 0.0000
15 H A -1.3312
16 R A -2.3069
17 E A -1.8423
18 G A -0.5021
19 R A -0.2096
20 Y A 0.1641
21 R A 0.1790
22 V A 1.7893
23 F A 0.6079
24 A A -0.0261
25 D A -0.4583
26 L A 0.0000
27 E A -0.2411
28 R A 0.0000
29 H A -0.4166
30 A A -0.1486
31 G A -0.4735
32 S A -0.1381
33 F A 0.0000
34 P A -0.2691
35 R A -1.2882
36 A A 0.0000
37 T A -0.2207
38 H A 0.0000
39 H A -0.4898
40 R A -1.3930
41 P A -0.8134
42 E A -1.9512
43 G A -0.7886
44 A A -0.1329
45 G A -0.6490
46 D A -1.8513
47 V A 0.0000
48 T A -0.1494
49 V A 0.0000
50 W A 0.0000
51 C A 0.0000
52 S A -0.0223
53 N A 0.0000
54 D A 0.0000
55 Y A 0.0000
56 L A 0.0000
57 G A 0.0000
58 M A 0.0000
59 G A 0.0000
60 Q A -0.1912
61 H A -0.2397
62 P A -0.2787
63 A A -0.0149
64 V A 0.0000
65 L A 0.1497
66 T A -0.0334
67 A A -0.0023
68 M A 0.0000
69 H A -0.5412
70 E A -1.8581
71 A A 0.0000
72 L A 0.0000
73 D A -1.8227
74 S A -0.5070
75 C A 0.0000
76 G A 0.0000
77 A A 0.0000
78 G A 0.0000
79 A A 0.0000
80 G A 0.0000
81 G A 0.0000
82 T A -0.0077
83 R A 0.0000
84 N A 0.0000
85 I A 0.0000
86 A A 0.0000
87 G A 0.0000
88 T A 0.0000
89 N A 0.0000
90 H A -0.4197
91 Y A 0.0924
92 H A 0.0000
93 V A 0.7851
94 L A 0.8617
95 L A 0.0000
96 E A 0.0000
97 Q A -1.2344
98 E A -0.4161
99 L A 0.0000
100 A A 0.0000
101 A A -0.0018
102 L A 0.0000
103 H A 0.0000
104 G A -0.5070
105 K A -0.6770
106 E A -1.8812
107 S A -0.3821
108 A A 0.0000
109 L A 0.0000
110 L A 0.0000
111 F A 0.0000
112 T A -0.0085
113 S A 0.0000
114 G A -0.0459
115 Y A 0.0000
116 V A 0.0000
117 S A 0.0000
118 N A 0.0000
119 W A 0.0000
120 A A 0.0000
121 S A 0.0000
122 L A 0.0000
123 S A 0.0000
124 T A 0.0000
125 L A 0.0000
126 A A -0.0315
127 S A -0.2116
128 R A 0.0000
129 M A 0.0000
130 P A -0.3056
131 G A -0.5066
132 C A 0.0000
133 V A 0.0000
134 I A 0.0000
135 L A 0.0000
136 S A 0.0000
137 D A 0.0000
138 E A -1.5287
139 L A 0.2235
140 N A 0.0000
141 H A -0.2014
142 A A 0.0190
143 S A 0.0000
144 M A 0.0000
145 I A 0.4172
146 E A -0.1108
147 G A 0.0000
148 I A 0.0000
149 R A -1.7503
150 H A -0.4685
151 S A -0.4264
152 R A -1.8727
153 S A -0.7431
154 E A -1.7230
155 T A -0.4600
156 R A -0.4847
157 I A 1.0225
158 F A 0.0000
159 A A -0.0115
160 H A -0.2691
161 N A -0.5070
162 D A -0.6822
163 P A -0.4796
164 R A -1.9138
165 D A -0.6857
166 L A 0.0000
167 E A -1.1730
168 R A -2.0739
169 K A -0.7599
170 L A 0.0000
171 A A -0.2650
172 D A -1.7420
173 L A -0.4295
174 D A -1.7150
175 P A -0.7365
176 H A -1.0345
177 A A -0.1709
178 P A 0.0000
179 K A 0.0000
180 L A 0.0000
181 V A 0.0000
182 A A 0.0000
183 F A 0.0000
184 E A 0.0000
185 S A 0.0000
186 V A 0.0000
187 Y A 0.0000
188 S A -0.0009
189 M A 0.0371
190 D A -0.4366
191 G A 0.0000
192 D A -0.3802
193 I A 0.3709
194 A A 0.0000
195 P A -0.0409
196 I A 0.0000
197 A A -0.2577
198 E A -1.5998
199 I A 0.0000
200 C A 0.0000
201 D A -1.7894
202 V A 0.0000
203 A A 0.0000
204 D A -1.7788
205 A A -0.3167
206 H A -0.4365
207 N A -0.9349
208 A A -0.1547
209 M A 0.0000
210 T A 0.0000
211 Y A 0.0000
212 L A 0.0000
213 D A 0.0000
214 E A 0.0000
215 V A 0.1727
216 H A 0.0000
217 G A 0.0000
218 V A 0.0000
219 G A 0.0000
220 L A 0.0000
221 Y A 0.0000
222 G A 0.0000
223 P A -0.2946
224 N A -0.3361
225 G A 0.0000
226 G A 0.0000
227 G A 0.0000
228 I A 0.0000
229 A A 0.0000
230 D A -0.8553
231 R A -2.2581
232 E A -2.2360
233 G A -0.8413
234 I A 0.0000
235 S A -0.2100
236 H A -1.3273
237 R A -2.0223
238 L A 0.0000
239 T A -0.0245
240 I A 0.0000
241 I A 0.0000
242 E A 0.0000
243 G A 0.0000
244 T A 0.0000
245 L A 0.0000
246 A A 0.0000
247 K A -0.2126
248 A A 0.0000
249 F A 0.0000
250 G A 0.0000
251 V A 0.0000
252 V A 0.0000
253 G A 0.0000
254 G A 0.0000
255 Y A 0.0000
256 I A 0.0000
257 A A 0.0000
258 G A 0.0000
259 S A -0.2803
260 S A -0.2065
261 A A -0.0234
262 V A 0.0000
263 C A 0.0000
264 D A -0.3060
265 F A 0.0000
266 V A 0.0000
267 R A -0.2360
268 S A 0.0439
269 F A 0.6380
270 A A 0.0000
271 S A -0.0368
272 G A 0.0000
273 F A 0.0000
274 I A 0.2359
275 F A 0.2621
276 S A 0.0196
277 T A 0.0000
278 S A 0.0000
279 P A 0.0000
280 P A 0.0000
281 P A 0.0000
282 A A 0.0000
283 V A 0.0000
284 A A 0.0000
285 A A 0.0064
286 G A 0.0000
287 A A 0.0000
288 L A 0.0000
289 A A 0.0069
290 S A 0.0000
291 I A 0.0000
292 R A -1.8747
293 H A -0.5039
294 L A 0.0000
295 R A -0.4713
296 A A -0.0847
297 S A -0.3277
298 S A -0.2511
299 A A 0.0000
300 E A -1.1348
301 R A -2.0436
302 E A -0.7235
303 R A -0.4226
304 H A 0.0000
305 Q A -1.1477
306 D A -2.0152
307 R A -0.7458
308 V A 0.0000
309 A A -0.1942
310 R A -1.3595
311 L A 0.0000
312 R A -1.2604
313 A A -0.4381
314 R A -1.4551
315 L A 0.0000
316 D A -2.0047
317 Q A -1.6507
318 A A -0.2403
319 G A -0.4124
320 V A 0.1609
321 A A 0.0803
322 H A -0.0663
323 M A 0.1741
324 P A -0.1360
325 N A -0.4115
326 P A -0.3135
327 S A -0.0684
328 H A 0.0000
329 I A 0.0000
330 V A 0.0000
331 P A 0.0000
332 V A 0.0000
333 M A 0.3628
334 V A 0.3304
335 G A -0.3356
336 D A -1.1709
337 A A 0.0000
338 A A 0.2595
339 L A 1.0023
340 C A 0.0000
341 K A -0.5747
342 Q A -1.0902
343 I A 0.0000
344 S A 0.0000
345 D A -1.9338
346 E A -1.1300
347 L A 0.0000
348 I A 0.1599
349 S A -0.5170
350 R A -1.8463
351 Y A -0.1443
352 G A -0.0157
353 I A 0.0000
354 Y A 0.0000
355 V A 0.0000
356 Q A 0.0000
357 P A -0.0273
358 I A 0.0000
359 N A 0.0000
360 Y A 0.7466
361 P A 0.1156
362 T A 0.0562
363 V A 0.0000
364 P A -0.4311
365 R A -1.6422
366 S A -0.5216 mutated: GA366S
367 T A -0.0719
368 E A 0.0000
369 R A 0.0000
370 L A 0.0000
371 R A 0.0000
372 I A 0.0000
373 T A 0.0000
374 P A 0.0000
375 S A 0.0000
376 P A -0.1461
377 Q A -0.5170
378 H A 0.0000
379 T A -0.3242
380 D A -1.4625
381 A A -0.5100
382 D A -0.7744
383 I A 0.0000
384 E A -1.9656
385 H A -0.9437
386 L A 0.0000
387 V A 0.0000
388 Q A -1.1983
389 A A 0.0000
390 L A 0.0000
391 S A -0.4761
392 E A -1.7924
393 I A 0.1197
394 W A 0.8660
395 T A 0.0732
1 M B 0.7115
2 N B -1.0813
3 Y B -0.4296
4 E B -1.7937
5 A B -0.2328
6 Y B 0.4524
7 F B 0.0000
8 R B -2.1772
9 R B -2.2247
10 Q B -0.5700
11 L B 0.0865
12 D B -0.2988
13 G B -0.3942
14 L B 0.0000
15 H B -1.3454
16 R B -2.3670
17 E B -2.1950
18 G B -0.7081
19 R B -0.2548
20 Y B 0.2271
21 R B 0.1875
22 V B 1.8090
23 F B 0.7178
24 A B 0.0401
25 D B -0.2136
26 L B 0.0000
27 E B -0.4623
28 R B 0.0000
29 H B -0.5003
30 A B -0.1610
31 G B -0.4941
32 S B -0.2513
33 F B 0.0000
34 P B -0.1380
35 R B -0.6222
36 A B 0.0000
37 T B -0.2003
38 H B 0.0000
39 H B -0.8320
40 R B -0.9642
41 P B -0.7257
42 E B -1.9127
43 G B -0.5762
44 A B -0.0987
45 G B -0.4945
46 D B -1.8229
47 V B 0.0000
48 T B 0.0000
49 V B 0.0000
50 W B 0.0000
51 C B 0.0000
52 S B -0.0235
53 N B 0.0000
54 D B 0.0000
55 Y B 0.0000
56 L B 0.0000
57 G B 0.0000
58 M B 0.0000
59 G B 0.0000
60 Q B -0.1917
61 H B -0.2341
62 P B -0.2776
63 A B -0.0140
64 V B 0.0000
65 L B 0.1543
66 T B -0.0210
67 A B 0.0008
68 M B 0.0000
69 H B -0.5307
70 E B -1.8564
71 A B 0.0000
72 L B 0.0000
73 D B -1.8075
74 S B -0.4234
75 C B 0.0000
76 G B 0.0000
77 A B 0.0000
78 G B 0.0000
79 A B 0.0000
80 G B 0.0000
81 G B 0.0000
82 T B -0.0093
83 R B 0.0000
84 N B 0.0000
85 I B 0.0000
86 A B 0.0000
87 G B 0.0000
88 T B 0.0000
89 N B 0.0000
90 H B -0.2656
91 Y B 0.1542
92 H B 0.0000
93 V B 0.8460
94 L B 0.9556
95 L B 0.0000
96 E B -0.4076
97 Q B -1.2965
98 E B -0.5698
99 L B 0.0000
100 A B 0.0000
101 A B -0.0211
102 L B 0.0000
103 H B 0.0000
104 G B -0.5135
105 K B -0.6940
106 E B -1.8841
107 S B -0.3714
108 A B 0.0000
109 L B 0.0000
110 L B 0.0000
111 F B 0.0000
112 T B -0.0082
113 S B 0.0000
114 G B 0.0000
115 Y B 0.0000
116 V B 0.0000
117 S B 0.0000
118 N B 0.0000
119 W B 0.0000
120 A B 0.0000
121 S B 0.0000
122 L B 0.0000
123 S B 0.0000
124 T B 0.0000
125 L B 0.0000
126 A B -0.0305
127 S B -0.2115
128 R B 0.0000
129 M B 0.0000
130 P B -0.3401
131 G B -0.5129
132 C B 0.0000
133 V B 0.0000
134 I B 0.0000
135 L B 0.0000
136 S B 0.0000
137 D B 0.0000
138 E B -1.3186
139 L B 0.2075
140 N B 0.0000
141 H B -0.2297
142 A B 0.0102
143 S B 0.0000
144 M B 0.0000
145 I B 0.3642
146 E B -0.2579
147 G B 0.0000
148 I B 0.0000
149 R B -1.5367
150 H B 0.0000
151 S B -0.4018
152 R B -1.8818
153 S B -0.8058
154 E B -1.8479
155 T B -0.5217
156 R B -0.8426
157 I B 0.6439
158 F B 0.0000
159 A B -0.0093
160 H B -0.2538
161 N B -0.4838
162 D B -0.6620
163 P B -0.4727
164 R B -1.8919
165 D B -0.5703
166 L B 0.0000
167 E B -1.3360
168 R B -2.1391
169 K B -0.9530
170 L B 0.0000
171 A B -0.2633
172 D B -1.7376
173 L B -0.4275
174 D B -1.7929
175 P B -0.7497
176 H B -1.0351
177 A B -0.1726
178 P B 0.0000
179 K B 0.0000
180 L B 0.0000
181 V B 0.0000
182 A B 0.0000
183 F B 0.0000
184 E B 0.0000
185 S B 0.0000
186 V B 0.0000
187 Y B 0.0000
188 S B -0.0029
189 M B 0.0408
190 D B -0.3695
191 G B 0.0000
192 D B -0.3638
193 I B 0.3049
194 A B 0.0000
195 P B -0.0462
196 I B 0.0000
197 A B -0.2199
198 E B -1.4109
199 I B 0.0000
200 C B 0.0000
201 D B -1.7894
202 V B 0.0000
203 A B 0.0000
204 D B -1.7788
205 A B -0.3110
206 H B -0.4732
207 N B -1.3176
208 A B -0.2245
209 M B 0.0000
210 T B 0.0000
211 Y B 0.0000
212 L B 0.0000
213 D B 0.0000
214 E B 0.0000
215 V B 0.0000
216 H B 0.0000
217 G B 0.0000
218 V B 0.0000
219 G B 0.0000
220 L B 0.0000
221 Y B 0.0000
222 G B 0.0000
223 P B -0.2963
224 N B -0.3979
225 G B 0.0000
226 G B 0.0000
227 G B 0.0000
228 I B 0.0000
229 A B 0.0000
230 D B -0.7074
231 R B -2.1724
232 E B -2.2217
233 G B -0.8253
234 I B 0.0000
235 S B -0.2133
236 H B -1.3253
237 R B -2.0121
238 L B 0.0000
239 T B -0.0225
240 I B 0.0000
241 I B 0.0000
242 E B 0.0000
243 G B 0.0000
244 T B 0.0000
245 L B 0.0000
246 A B 0.0000
247 K B -0.2061
248 A B 0.0000
249 F B 0.0000
250 G B 0.0000
251 V B 0.0000
252 V B 0.0000
253 G B 0.0000
254 G B 0.0000
255 Y B 0.0000
256 I B 0.0000
257 A B 0.0000
258 G B 0.0000
259 S B -0.2911
260 S B -0.1496
261 A B -0.0083
262 V B 0.0000
263 C B 0.0000
264 D B -0.2919
265 F B 0.0000
266 V B 0.0000
267 R B -0.2098
268 S B 0.0351
269 F B 0.5537
270 A B 0.0000
271 S B -0.0376
272 G B 0.0000
273 F B 0.0000
274 I B 0.0000
275 F B 0.2253
276 S B 0.0193
277 T B -0.0135
278 S B 0.0000
279 P B 0.0000
280 P B 0.0000
281 P B 0.0000
282 A B 0.0000
283 V B 0.0000
284 A B 0.0000
285 A B 0.0000
286 G B 0.0000
287 A B 0.0000
288 L B 0.2474
289 A B 0.0524
290 S B 0.0000
291 I B 0.0000
292 R B -1.8692
293 H B -0.4751
294 L B 0.0000
295 R B -0.8175
296 A B -0.1630
297 S B -0.4169
298 S B -0.2333
299 A B 0.0000
300 E B -1.9731
301 R B -2.2052
302 E B -0.8140
303 R B -0.6748
304 H B 0.0000
305 Q B -1.4374
306 D B -2.0747
307 R B -0.7863
308 V B 0.0000
309 A B -0.2698
310 R B -1.7860
311 L B 0.0000
312 R B -1.2819
313 A B -0.4299
314 R B -1.3460
315 L B 0.0000
316 D B -2.0049
317 Q B -1.6370
318 A B -0.2470
319 G B -0.3540
320 V B 0.4787
321 A B 0.1382
322 H B -0.0477
323 M B 0.1336
324 P B -0.1660
325 N B -0.3985
326 P B -0.3109
327 S B -0.0688
328 H B 0.0000
329 I B 0.0000
330 V B 0.0000
331 P B 0.0000
332 V B 0.2326
333 M B 0.4877
334 V B 0.3768
335 G B -0.3670
336 D B -1.3238
337 A B -0.2198
338 A B 0.2803
339 L B 1.1296
340 C B 0.0000
341 K B -0.7756
342 Q B -0.9611
343 I B 0.1865
344 S B 0.0000
345 D B -0.8471
346 E B -0.9586
347 L B 0.0000
348 I B 0.2016
349 S B -0.4883
350 R B -1.8295
351 Y B -0.0790
352 G B -0.0007
353 I B 0.0000
354 Y B 0.0000
355 V B 0.0000
356 Q B 0.0000
357 P B -0.0322
358 I B 0.0000
359 N B 0.0000
360 Y B 0.3380
361 P B -0.0045
362 T B 0.0099
363 V B 0.0000
364 P B -0.5002
365 R B -1.9125
366 S B -0.5712 mutated: GB366S
367 T B -0.0758
368 E B 0.0000
369 R B 0.0000
370 L B 0.0000
371 R B 0.0000
372 I B 0.0000
373 T B 0.0000
374 P B 0.0000
375 S B 0.0000
376 P B -0.1421
377 Q B -0.5617
378 H B 0.0000
379 T B -0.3410
380 D B -1.6771
381 A B -0.2781
382 D B -0.2640
383 I B 0.0000
384 E B -1.9388
385 H B -1.0105
386 L B 0.0000
387 V B 0.0000
388 Q B -1.1983
389 A B 0.0000
390 L B 0.1593
391 S B -0.5051
392 E B -1.5264
393 I B 1.5368

 

Laboratory of Theory of Biopolymers 2015