Project name: model_01-resi365-16 [mutate: RA365F, RB365F]

Status: done

submitted: 2018-01-03 07:16:18, status changed: 2018-01-03 13:14:43
Settings
Chain sequence(s) A: MNYEAYFRRQLDGLHREGRYRVFADLERHAGSFPRATHHRPEGAGDVTVWCSNDYLGMGQHPAVLTAMHEALDSCGAGAGGTRNIAGTNHYHVLLEQELAALHGKESALLFTSGYVSNWASLSTLASRMPGCVILSDELNHASMIEGIRHSRSETRIFAHNDPRDLERKLADLDPHAPKLVAFESVYSMDGDIAPIAEICDVADAHNAMTYLDEVHGVGLYGPNGGGIADREGISHRLTIIEGTLAKAFGVVGGYIAGSSAVCDFVRSFASGFIFSTSPPPAVAAGALASIRHLRASSAERERHQDRVARLRARLDQAGVAHMPNPSHIVPVMVGDAALCKQISDELISRYGIYVQPINYPTVPRGTERLRITPSPQHTDADIEHLVQALSEIWT
B: MNYEAYFRRQLDGLHREGRYRVFADLERHAGSFPRATHHRPEGAGDVTVWCSNDYLGMGQHPAVLTAMHEALDSCGAGAGGTRNIAGTNHYHVLLEQELAALHGKESALLFTSGYVSNWASLSTLASRMPGCVILSDELNHASMIEGIRHSRSETRIFAHNDPRDLERKLADLDPHAPKLVAFESVYSMDGDIAPIAEICDVADAHNAMTYLDEVHGVGLYGPNGGGIADREGISHRLTIIEGTLAKAFGVVGGYIAGSSAVCDFVRSFASGFIFSTSPPPAVAAGALASIRHLRASSAERERHQDRVARLRARLDQAGVAHMPNPSHIVPVMVGDAALCKQISDELISRYGIYVQPINYPTVPRGTERLRITPSPQHTDADIEHLVQALSEI
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues RA365F, RB365F
Energy difference between WT (input) and mutated protein (by FoldX) -1.63316 kcal/mol

Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

Show buried residues

Minimal score value
-2.3446
Maximal score value
1.809
Average score
-0.2802
Total score value
-220.7795

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 -0.4109
13 G A -0.4280
14 L A 0.0000
15 H A -1.3312
16 R A -2.3199
17 E A -1.8817
18 G A -0.5080
19 R A -0.2034
20 Y A 0.1654
21 R A 0.1800
22 V A 1.7895
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 0.7885
94 L A 0.8623
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 0.0195
143 S A 0.0000
144 M A 0.0000
145 I A 0.4221
146 E A -0.1089
147 G A 0.0000
148 I A 0.0000
149 R A -1.8735
150 H A -0.5006
151 S A -0.4149
152 R A -1.8759
153 S A -0.7753
154 E A -1.7288
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 -0.6819
163 P A -0.4780
164 R A -1.9135
165 D A -0.6857
166 L A 0.0000
167 E A -1.1996
168 R A -2.0787
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 -0.3157
206 H A -0.4306
207 N A -0.9338
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 -0.2335
268 S A 0.0446
269 F A 0.6348
270 A A 0.0000
271 S A -0.0366
272 G A 0.0000
273 F A 0.0000
274 I A 0.0000
275 F A 0.2261
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 -0.4458
314 R A -1.4975
315 L A 0.0000
316 D A -2.0047
317 Q A -1.6552
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 0.3252
335 G A -0.4245
336 D A -1.3489
337 A A 0.0000
338 A A 0.2595
339 L A 0.9964
340 C A 0.0000
341 K A -0.5847
342 Q A -1.1107
343 I A -0.0207
344 S A 0.0000
345 D A -1.9129
346 E A -1.0125
347 L A 0.0000
348 I A 0.1599
349 S A -0.5170
350 R A -1.8471
351 Y A -0.1485
352 G A -0.0165
353 I A 0.0000
354 Y A 0.0000
355 V A 0.0000
356 Q A 0.0000
357 P A -0.0274
358 I A 0.0000
359 N A 0.0000
360 Y A 0.6640
361 P A 0.0970
362 T A 0.0479
363 V A 0.0000
364 P A 0.0674
365 F A 1.0542 mutated: RA365F
366 G A -0.2458
367 T A -0.1164
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 -0.3187
380 D A -1.4320
381 A A -0.5026
382 D A -0.7713
383 I A 0.0000
384 E A -1.9619
385 H A -0.9240
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 -0.5229
392 E A -1.8096
393 I A 0.0709
394 W A 0.8572
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 -2.2242
10 Q B -0.5675
11 L B 0.0867
12 D B -0.3074
13 G B -0.4335
14 L B 0.0000
15 H B -1.3451
16 R B -2.3446
17 E B -2.0490
18 G B -0.6746
19 R B -0.2267
20 Y B 0.2302
21 R B 0.1852
22 V B 1.8090
23 F B 0.7198
24 A B 0.0404
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 0.0093
143 S B 0.0000
144 M B 0.0000
145 I B 0.3554
146 E B -0.2595
147 G B 0.0000
148 I B 0.0000
149 R B -1.8624
150 H B -0.4460
151 S B -0.4270
152 R B -1.8807
153 S B -0.7785
154 E B -1.7623
155 T B -0.4843
156 R B -0.7182
157 I B 0.6835
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 -2.1350
169 K B -0.9310
170 L B 0.0000
171 A B -0.2633
172 D B -1.7399
173 L B -0.4401
174 D B -1.7952
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 -0.2094
268 S B 0.0349
269 F B 0.5398
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 -0.4167
298 S B -0.2323
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 -0.2715
310 R B -1.7954
311 L B 0.0000
312 R B -1.2826
313 A B -0.4246
314 R B -1.2966
315 L B 0.0000
316 D B -2.0049
317 Q B -1.6318
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 0.3731
335 G B -0.4261
336 D B -1.3618
337 A B -0.2263
338 A B 0.2803
339 L B 1.1330
340 C B 0.0000
341 K B -0.7728
342 Q B -0.9310
343 I B 0.1827
344 S B 0.0000
345 D B -0.8311
346 E B -0.9474
347 L B 0.0000
348 I B 0.2027
349 S B -0.4890
350 R B -1.8294
351 Y B -0.0776
352 G B -0.0003
353 I B 0.0000
354 Y B 0.0000
355 V B 0.0000
356 Q B 0.0000
357 P B -0.0326
358 I B 0.0000
359 N B 0.0000
360 Y B 0.5889
361 P B 0.0637
362 T B 0.0366
363 V B 0.0000
364 P B 0.0583
365 F B 1.0695 mutated: RB365F
366 G B -0.2775
367 T B -0.1258
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 -0.3426
380 D B -1.6859
381 A B -0.2797
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 -1.5744
393 I B 1.2675

 

Laboratory of Theory of Biopolymers 2015