Project name: Mutant_aggregation

Status: done

submitted: 2018-12-21 09:00:51, status changed: 2018-12-21 10:26:45
Settings
Chain sequence(s) A: SCPSVCRCDAGFIYCNDRFLTSIPTGIPEDATTLYLQNNQINNAGIPSDLKNLLKVERIYLYHNSLDEFPTNLPKYVKELHLQENNIRTITYDSLSKIPYLEELHLDDNSVSAVSIEEGAFRDSNYLRLLFLSRNHLSTIPWGLPRTIEELRLDDNRISTISSPSLQGLTSLKRLVLDGNLLNNHGLGDKVFFNLVNLTELSLVRNSLTAAPVNLPGTNLRKLYLQDNHINRVPPNAFSYLRQLYRLDMSNNNLSNLPQGIFDDLDNITQLILRNNPWYCGCKMKWVRDWLQSLPVKVNVRGLMCQAPEKVRGMAIKDLNA
C: SCPSVCRCDAGFIYCNDRFLTSIPTGIPEDATTLYLQNNQINNAGIPSDLKNLLKVERIYLYHNSLDEFPTNLPKYVKELHLQENNIRTITYDSLSKIPYLEELHLDDNSVSAVSIEEGAFRDSNYLRLLFLSRNHLSTIPWGLPRTIEELRLDDNRISTISSPSLQGLTSLKRLVLDGNLLNNHGLGDKVFFNLVNLTELSLVRNSLTAAPVNLPGTNLRKLYLQDNHINRVPPNAFSYLRQLYRLDMSNNNLSNLPQGIFDDLDNITQLILRNNPWYCGCKMKWVRDWLQSLPVKVNVRGLMCQAPEKVRGMAIKDLNA
B: SCPSVCRCDAGFIYCNDRFLTSIPTGIPEDATTLYLQNNQINNAGIPSDLKNLLKVERIYLYHNSLDEFPTNLPKYVKELHLQENNIRTITYDSLSKIPYLEELHLDDNSVSAVSIEEGAFRDSNYLRLLFLSRNHLSTIPWGLPRTIEELRLDDNRISTISSPSLQGLTSLKRLVLDGNLLNNHGLGDKVFFNLVNLTELSLVRNSLTAAPVNLPGTNLRKLYLQDNHINRVPPNAFSYLRQLYRLDMSNNNLSNLPQGIFDDLDNITQLILRNNPWYCGCKMKWVRDWLQSLPVKVNVRGLMCQAPEKVRGMAIKDLNA
E: LCPGLLKGVYQSEHLFESDHQSGAWCKDPLQASDKIYYMPWTPYRTDTLTEYSSKDDFIAGRPTTTYKLPHRVDGTGFVVYDGALFFNKERTRNIVKFDLRTRIKSGEAIIANANYHDTSPYRWGGKSDIDLAVDENGLWVIYATEQNNGKIVISQLNPYTLRIEGTWDTAYDKRSASNAFMICGILYVVKSNKIDYIYNTDQSKDSLVDVPFPNSYQYIAAVDYNPRDNLLYVWNNYHVVKYSLDF
D: SCPSVCRCDAGFIYCNDRFLTSIPTGIPEDATTLYLQNNQINNAGIPSDLKNLLKVERIYLYHNSLDEFPTNLPKYVKELHLQENNIRTITYDSLSKIPYLEELHLDDNSVSAVSIEEGAFRDSNYLRLLFLSRNHLSTIPWGLPRTIEELRLDDNRISTISSPSLQGLTSLKRLVLDGNLLNNHGLGDKVFFNLVNLTELSLVRNSLTAAPVNLPGTNLRKLYLQDNHINRVPPNAFSYLRQLYRLDMSNNNLSNLPQGIFDDLDNITQLILRNNPWYCGCKMKWVRDWLQSLPVKVNVRGLMCQAPEKVRGMAIKDLNA
G: LCPGLLKGVYQSEHLFESDHQSGAWCKDPLQASDKIYYMPWTPYRTDTLTEYSSKDDFIAGRPTTTYKLPHRVDGTGFVVYDGALFFNKERTRNIVKFDLRTRIKSGEAIIANANYHDTSPYRWGGKSDIDLAVDENGLWVIYATEQNNGKIVISQLNPYTLRIEGTWDTAYDKRSASNAFMICGILYVVKSNKIDYIYNTDQSKDSLVDVPFPNSYQYIAAVDYNPRDNLLYVWNNYHVVKYSLDF
F: LCPGLLKGVYQSEHLFESDHQSGAWCKDPLQASDKIYYMPWTPYRTDTLTEYSSKDDFIAGRPTTTYKLPHRVDGTGFVVYDGALFFNKERTRNIVKFDLRTRIKSGEAIIANANYHDTSPYRWGGKSDIDLAVDENGLWVIYATEQNNGKIVISQLNPYTLRIEGTWDTAYDKRSASNAFMICGILYVVKSNKIDYIYNTDQSKDSLVDVPFPNSYQYIAAVDYNPRDNLLYVWNNYHVVKYSLDF
H: LCPGLLKGVYQSEHLFESDHQSGAWCKDPLQASDKIYYMPWTPYRTDTLTEYSSKDDFIAGRPTTTYKLPHRVDGTGFVVYDGALFFNKERTRNIVKFDLRTRIKSGEAIIANANYHDTSPYRWGGKSDIDLAVDENGLWVIYATEQNNGKIVISQLNPYTLRIEGTWDTAYDKRSASNAFMICGILYVVKSNKIDYIYNTDQSKDSLVDVPFPNSYQYIAAVDYNPRDNLLYVWNNYHVVKYSLDF
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues KE188R
Energy difference between WT (input) and mutated protein (by FoldX) 0.317947 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
-2.207
Maximal score value
2.0126
Average score
-0.2391
Total score value
-543.1892

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
30 S A -0.1505
31 C A 0.2956
32 P A -0.0077
33 S A -0.0363
34 V A 0.9606
35 C A 0.0000
36 R A -1.4109
37 C A -0.2923
38 D A -1.2999
39 A A -0.1994
40 G A 0.0026
41 F A 0.3295
42 I A 0.0000
43 Y A 0.0000
44 C A 0.0000
45 N A 0.0000
46 D A -0.8187
47 R A -0.0977
48 F A 1.8841
49 L A 0.0000
50 T A -0.1348
51 S A -0.1897
52 I A 0.0000
53 P A -0.0453
54 T A -0.1625
55 G A -0.4226
56 I A 0.2186
57 P A 0.0000
58 E A -2.1483
59 D A -2.1234
60 A A 0.0000
61 T A -0.0314
62 T A 0.0000
63 L A 0.0000
64 Y A 0.0000
65 L A 0.0000
66 Q A 0.0000
67 N A -0.2479
68 N A 0.0000
69 Q A -0.2409
70 I A 0.0000
71 N A -0.2700
72 N A -0.2479
73 A A 0.0093
74 G A -0.0314
75 I A 0.1763
76 P A -0.0414
77 S A -0.5474
78 D A -1.8284
79 L A 0.0000
80 K A -0.6082
81 N A -1.3379
82 L A 0.0000
83 L A 0.1354
84 K A -1.6177
85 V A 0.0000
86 E A -1.2805
87 R A -0.8354
88 I A 0.0000
89 Y A 0.0000
90 L A 0.0000
91 Y A 0.0000
92 H A -0.4478
93 N A 0.0000
94 S A 0.0000
95 L A 0.0000
96 D A -0.3380
97 E A -0.9234
98 F A 0.0000
99 P A 0.0000
100 T A -0.0579
101 N A -0.2315
102 L A 0.0000
103 P A 0.0000
104 K A -0.6742
105 Y A 0.6009
106 V A 0.0000
107 K A -0.5141
108 E A -0.5064
109 L A 0.0000
110 H A 0.0000
111 L A 0.0000
112 Q A 0.0000
113 E A -0.8241
114 N A 0.0000
115 N A 0.0000
116 I A 0.0000
117 R A 0.0000
118 T A -0.0358
119 I A 0.0000
120 T A -0.0846
121 Y A 0.1332
122 D A -1.7036
123 S A 0.0000
124 L A 0.0000
125 S A -0.1679
126 K A -0.6445
127 I A 0.0000
128 P A 0.0828
129 Y A 0.6342
130 L A 0.0000
131 E A -0.6661
132 E A -0.4250
133 L A 0.0000
134 H A 0.0000
135 L A 0.0000
136 D A 0.0000
137 D A -0.3602
138 N A 0.0000
139 S A 0.0000
140 V A 0.0000
141 S A -0.0804
142 A A 0.1480
143 V A 0.8136
144 S A 0.1468
145 I A -0.0773
146 E A -1.8147
147 E A -2.1175
148 G A -0.4141
149 A A 0.0000
150 F A 0.0000
151 R A -1.9397
152 D A -0.8584
153 S A 0.0000
154 N A -0.4058
155 Y A 0.5394
156 L A 0.0000
157 R A -0.9746
158 L A 0.0672
159 L A 0.0000
160 F A 0.0000
161 L A 0.0000
162 S A 0.0000
163 R A -0.7166
164 N A 0.0000
165 H A -0.1870
166 L A 0.0000
167 S A -0.0248
168 T A -0.0159
169 I A 0.0000
170 P A 0.1898
171 W A 1.1353
172 G A -0.0036
173 L A 0.1057
174 P A 0.0000
175 R A -1.8462
176 T A -0.3535
177 I A 0.0000
178 E A -1.1454
179 E A 0.0000
180 L A 0.0000
181 R A 0.0000
182 L A 0.0000
183 D A 0.0000
184 D A -0.4080
185 N A 0.0000
186 R A -0.3554
187 I A 0.0000
188 S A 0.0022
189 T A -0.0162
190 I A 0.0000
191 S A -0.0725
192 S A -0.1115
193 P A -0.2964
194 S A 0.0000
195 L A 0.0000
196 Q A -1.1847
197 G A -0.6669
198 L A 0.0000
199 T A -0.0541
200 S A -0.1150
201 L A 0.0000
202 K A -1.3172
203 R A -0.5484
204 L A 0.0000
205 V A 0.0000
206 L A 0.0000
207 D A -0.2019
208 G A -0.2823
209 N A 0.0000
210 L A 0.3735
211 L A 0.0000
212 N A -1.1147
213 N A -0.7553
214 H A -1.0599
215 G A 0.0000
216 L A 0.2249
217 G A -0.3712
218 D A -2.0464
219 K A -1.4614
220 V A 0.0000
221 F A 0.0000
222 F A 1.2755
223 N A -0.2150
224 L A 0.0000
225 V A 0.8354
226 N A -0.8193
227 L A 0.0000
228 T A -0.1737
229 E A -0.2920
230 L A 0.0000
231 S A 0.0000
232 L A 0.0000
233 V A 0.0000
234 R A -1.4131
235 N A 0.0000
236 S A -0.0368
237 L A 0.0000
238 T A -0.0182
239 A A -0.1899
240 A A 0.0000
241 P A 0.0000
242 V A 0.5756
243 N A -0.3329
244 L A 0.0000
245 P A 0.0000
246 G A -0.0764
247 T A -0.1586
248 N A -0.4746
249 L A 0.0000
250 R A -1.3567
251 K A -0.7102
252 L A 0.0000
253 Y A 0.1261
254 L A 0.0000
255 Q A -0.2259
256 D A -0.5316
257 N A 0.0000
258 H A 0.0000
259 I A 0.0000
260 N A -0.5628
261 R A -1.8842
262 V A 0.0000
263 P A -0.0718
264 P A -0.4921
265 N A -1.3196
266 A A 0.0000
267 F A 0.0000
268 S A 0.1873
269 Y A 1.3057
270 L A 0.0000
271 R A -1.9916
272 Q A -1.1367
273 L A 0.0000
274 Y A 0.1940
275 R A -0.5698
276 L A 0.0000
277 D A 0.0000
278 M A 0.0000
279 S A 0.0000
280 N A -0.4774
281 N A 0.0000
282 N A 0.0000
283 L A 0.0000
284 S A 0.0000
285 N A 0.0000
286 L A 0.0000
287 P A -0.2630
288 Q A -1.2921
289 G A -0.6861
290 I A 0.0000
291 F A -0.1148
292 D A -1.8253
293 D A -0.7426
294 L A 0.0000
295 D A -1.9796
296 N A -1.3151
297 I A 0.0872
298 T A 0.0038
299 Q A -0.2660
300 L A 0.0000
301 I A 0.0000
302 L A 0.0000
303 R A -1.6830
304 N A -1.5657
305 N A 0.0000
306 P A 0.0000
307 W A 0.0000
308 Y A 0.1713
309 C A 0.1151
310 G A 0.0672
311 C A 0.5906
312 K A -0.5414
313 M A 0.0000
314 K A -1.6675
315 W A -0.1317
316 V A 0.0000
317 R A -1.6184
318 D A -1.9578
319 W A -0.1134
320 L A -0.0279
321 Q A -1.2081
322 S A -0.3711
323 L A 0.2652
324 P A 0.2220
325 V A 1.4328
326 K A -1.3404
327 V A -0.2884
328 N A -0.8283
329 V A 0.1192
330 R A -0.6723
331 G A -0.5702
332 L A 0.2544
333 M A 0.8039
334 C A 0.0000
335 Q A -0.7605
336 A A 0.0000
337 P A -0.2729
338 E A -1.8523
339 K A -1.8889
340 V A -0.3607
341 R A -2.1032
342 G A -0.7375
343 M A 0.2903
344 A A 0.1877
345 I A 0.0000
346 K A -2.0452
347 D A -2.0402
348 L A -0.3431
349 N A -1.2225
350 A A -0.1755
30 S B -0.1184
31 C B 0.4770
32 P B 0.0000
33 S B -0.0197
34 V B 1.0082
35 C B 0.0000
36 R B -1.2172
37 C B -0.3675
38 D B -1.7421
39 A B -0.2841
40 G B 0.0244
41 F B 0.4713
42 I B 0.0000
43 Y B 0.0000
44 C B 0.0000
45 N B 0.0000
46 D B -0.8937
47 R B -0.1194
48 F B 1.8845
49 L B 0.0000
50 T B -0.1290
51 S B -0.1640
52 I B 0.0000
53 P B -0.0474
54 T B -0.1512
55 G B -0.3785
56 I B 0.1275
57 P B 0.0000
58 E B -2.1485
59 D B -2.1236
60 A B 0.0000
61 T B -0.0270
62 T B 0.0000
63 L B 0.0000
64 Y B 0.0000
65 L B 0.0000
66 Q B 0.0000
67 N B -0.2139
68 N B 0.0000
69 Q B -0.2926
70 I B 0.0000
71 N B -0.4481
72 N B -0.3322
73 A B 0.0086
74 G B 0.0000
75 I B 0.2569
76 P B -0.0301
77 S B -0.4211
78 D B -1.1356
79 L B 0.0000
80 K B -1.5179
81 N B -1.5007
82 L B 0.0000
83 L B 0.3539
84 K B -1.5760
85 V B 0.0000
86 E B -1.2800
87 R B -0.5527
88 I B 0.0000
89 Y B 0.0000
90 L B 0.0000
91 Y B 0.0000
92 H B -0.4055
93 N B 0.0000
94 S B 0.0000
95 L B 0.0000
96 D B -0.5440
97 E B -0.9929
98 F B 0.0000
99 P B 0.0000
100 T B -0.0915
101 N B -0.5225
102 L B 0.0000
103 P B 0.0000
104 K B -0.6876
105 Y B 0.4586
106 V B 0.0000
107 K B -0.7358
108 E B -0.3656
109 L B 0.0000
110 H B 0.0000
111 L B 0.0000
112 Q B 0.0000
113 E B -0.4439
114 N B 0.0000
115 N B -0.1707
116 I B 0.0000
117 R B -0.9781
118 T B -0.1825
119 I B 0.0000
120 T B 0.0329
121 Y B -0.0386
122 D B -1.7340
123 S B 0.0000
124 L B 0.0000
125 S B -0.1191
126 K B -0.3998
127 I B 0.0000
128 P B 0.0588
129 Y B 0.5461
130 L B 0.0000
131 E B -0.6528
132 E B -0.2647
133 L B 0.0000
134 H B 0.0000
135 L B 0.0000
136 D B 0.0000
137 D B 0.0000
138 N B 0.0000
139 S B -0.0567
140 V B 0.0000
141 S B -0.0937
142 A B 0.3308
143 V B 1.7745
144 S B 0.0000
145 I B 0.0000
146 E B -1.6934
147 E B -2.0811
148 G B -0.3996
149 A B 0.0000
150 F B 0.0000
151 R B -0.8260
152 D B -0.8120
153 S B 0.0000
154 N B -1.0907
155 Y B 0.7590
156 L B 0.0000
157 R B -1.3031
158 L B -0.0197
159 L B 0.0000
160 F B 0.0000
161 L B 0.0000
162 S B 0.0000
163 R B -0.5437
164 N B 0.0000
165 H B -0.4919
166 L B 0.0000
167 S B -0.2677
168 T B -0.0550
169 I B 0.0000
170 P B 0.0382
171 W B 0.3014
172 G B -0.0915
173 L B 0.0000
174 P B 0.0000
175 R B -0.8825
176 T B -0.1766
177 I B 0.0000
178 E B -1.3984
179 E B 0.0000
180 L B 0.0000
181 R B 0.0000
182 L B 0.0000
183 D B -0.2902
184 D B -0.3851
185 N B 0.0000
186 R B -0.5360
187 I B 0.0000
188 S B -0.1231
189 T B -0.0849
190 I B 0.0000
191 S B -0.0776
192 S B -0.0670
193 P B -0.1389
194 S B 0.0000
195 L B 0.0000
196 Q B -0.3432
197 G B -0.1282
198 L B 0.0000
199 T B -0.0638
200 S B -0.1630
201 L B 0.0000
202 K B -0.9809
203 R B -0.4439
204 L B 0.0000
205 V B 0.1857
206 L B 0.0000
207 D B -0.2558
208 G B -0.2468
209 N B 0.0000
210 L B 1.0917
211 L B 0.0000
212 N B -0.6851
213 N B -0.4805
214 H B -1.0352
215 G B -0.2246
216 L B 0.1419
217 G B -0.3592
218 D B -1.9897
219 K B -1.2393
220 V B 0.0000
221 F B 0.0000
222 F B 0.9023
223 N B -0.6798
224 L B 0.0000
225 V B 0.6482
226 N B -0.7450
227 L B 0.0000
228 T B -0.1468
229 E B -0.2681
230 L B 0.0000
231 S B 0.0000
232 L B 0.0000
233 V B 0.0000
234 R B -1.0167
235 N B 0.0000
236 S B -0.1522
237 L B 0.0000
238 T B -0.0461
239 A B 0.0020
240 A B 0.0000
241 P B 0.0000
242 V B 0.0000
243 N B -0.1951
244 L B 0.0000
245 P B 0.0000
246 G B -0.0769
247 T B -0.1530
248 N B -0.4665
249 L B 0.0000
250 R B -1.0808
251 K B -0.6275
252 L B 0.0000
253 Y B 0.1662
254 L B 0.0000
255 Q B -0.1759
256 D B -0.3709
257 N B 0.0000
258 H B -0.1814
259 I B 0.0000
260 N B -1.0799
261 R B -1.9812
262 V B 0.0000
263 P B 0.0000
264 P B -0.1131
265 N B -0.3387
266 A B 0.0000
267 F B 0.0000
268 S B 0.1256
269 Y B 1.2998
270 L B 0.0000
271 R B -1.9427
272 Q B -0.8748
273 L B 0.0000
274 Y B 0.3948
275 R B -0.6318
276 L B 0.0000
277 D B 0.0000
278 M B 0.0000
279 S B 0.0000
280 N B -0.2494
281 N B 0.0000
282 N B -0.1450
283 L B 0.0000
284 S B -0.1436
285 N B -0.6447
286 L B 0.0000
287 P B -0.2164
288 Q B -0.9882
289 G B -0.5720
290 I B 0.0000
291 F B -0.1370
292 D B -1.8413
293 D B -0.8049
294 L B 0.0000
295 D B -1.9830
296 N B -1.3341
297 I B 0.1207
298 T B 0.0426
299 Q B -0.3154
300 L B 0.0000
301 I B 0.0000
302 L B 0.0000
303 R B -1.3419
304 N B -0.5083
305 N B 0.0000
306 P B 0.0000
307 W B 0.0000
308 Y B 0.1563
309 C B 0.1590
310 G B 0.0853
311 C B 0.5671
312 K B -0.6805
313 M B 0.0000
314 K B -1.6488
315 W B -0.1722
316 V B 0.0000
317 R B -1.0309
318 D B -0.8139
319 W B 0.0428
320 L B 0.0000
321 Q B -1.2378
322 S B -0.3732
323 L B 0.2636
324 P B 0.2095
325 V B 1.4325
326 K B -1.3373
327 V B -0.2134
328 N B -0.5481
329 V B 0.1142
330 R B -1.4691
331 G B -0.7384
332 L B 0.0000
333 M B 0.5239
334 C B 0.0000
335 Q B -0.2350
336 A B 0.0000
337 P B -0.0801
338 E B -0.6552
339 K B -1.7184
340 V B -0.1876
341 R B -0.4737
342 G B -0.3268
343 M B 0.4122
344 A B 0.1721
345 I B 0.0000
346 K B -1.9268
347 D B -2.0349
348 L B -0.3866
349 N B -1.2288
350 A B -0.1759
30 S C -0.1058
31 C C 0.5345
32 P C 0.0397
33 S C -0.0227
34 V C 1.0135
35 C C 0.0000
36 R C -1.5975
37 C C -0.4635
38 D C -1.7487
39 A C -0.2815
40 G C 0.0238
41 F C 0.4645
42 I C 0.0000
43 Y C 0.0000
44 C C 0.0000
45 N C 0.0000
46 D C -0.8518
47 R C -0.1779
48 F C 1.8691
49 L C 0.0000
50 T C -0.1807
51 S C -0.1825
52 I C 0.0000
53 P C -0.0466
54 T C -0.1573
55 G C -0.3920
56 I C 0.2192
57 P C -0.3051
58 E C -2.1528
59 D C -2.1229
60 A C 0.0000
61 T C -0.0304
62 T C 0.0000
63 L C 0.0000
64 Y C 0.0000
65 L C 0.0000
66 Q C 0.0000
67 N C -0.3230
68 N C 0.0000
69 Q C -0.7124
70 I C 0.0000
71 N C -0.3178
72 N C -0.3015
73 A C 0.0004
74 G C -0.0250
75 I C 0.2277
76 P C -0.0280
77 S C -0.5477
78 D C -1.8285
79 L C 0.0000
80 K C -0.6465
81 N C -1.3428
82 L C 0.0000
83 L C 0.0592
84 K C -1.6318
85 V C 0.0000
86 E C -1.1849
87 R C -0.7327
88 I C 0.0000
89 Y C 0.0000
90 L C 0.0000
91 Y C 0.0000
92 H C -0.3198
93 N C 0.0000
94 S C 0.0000
95 L C 0.0000
96 D C 0.0000
97 E C -0.5519
98 F C 0.0000
99 P C 0.0000
100 T C -0.0885
101 N C -0.3762
102 L C 0.0000
103 P C 0.0000
104 K C -0.7794
105 Y C 0.7838
106 V C 0.0000
107 K C -0.9316
108 E C -0.4541
109 L C 0.0000
110 H C 0.0000
111 L C 0.0000
112 Q C 0.0000
113 E C -0.3790
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Laboratory of Theory of Biopolymers 2015