Project name: divya [mutate: KA245I, KB245I] [mutate: KA245F, KB245F]

Status: done

submitted: 2019-12-04 15:00:01, status changed: 2019-12-26 13:56:00
Settings
Chain sequence(s) A: KPFKVTVIGSGNWGTTIAKVVAENCKGYPEVFAPIVQMWVFEEEINGEKLTEIINTRHQNVKYLPGITLPDNLVANPDLIDSVKDVDIIVFNIPHQFLPRICSQLKGHVDSHVRAISCLKGFEVGAKGVQLLSSYITEELGIQCGALSGANIATEVAQEHWSETTVAYHIPKDFRGEGKDVDHKVLKALFHRPYFHVSVIEDVAGISICGALKNVVALGCGFVEGLGWGNNASAAIQRVGLGEIIRFGQMFFPESREETYYQESAGVADLITTCAGGRNVKVARLMATSGKDAWECEKELLNGQSAQGLITCKEVHEWLETCGSVEDFPLFEAVYQIVYNNYPMKNLPDMIEE
B: KPFKVTVIGSGNWGTTIAKVVAENCKGYPEVFAPIVQMWVFEEEINGEKLTEIINTRHQNVKYLPGITLPDNLVANPDLIDSVKDVDIIVFNIPHQFLPRICSQLKGHVDSHVRAISCLKGFEVGAKGVQLLSSYITEELGIQCGALSGANIATEVAQEHWSETTVAYHIPKDFRGEGKDVDHKVLKALFHRPYFHVSVIEDVAGISICGALKNVVALGCGFVEGLGWGNNASAAIQRVGLGEIIRFGQMFFPESREETYYQESAGVADLITTCAGGRNVKVARLMATSGKDAWECEKELLNGQSAQGLITCKEVHEWLETCGSVEDFPLFEAVYQIVYNNYPMKNLPDMIEE
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues KA245F, KB245F
Energy difference between WT (input) and mutated protein (by FoldX) 11.3647 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

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
-4.1907
Maximal score value
1.4529
Average score
-0.8342
Total score value
-588.9211

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
33 K A -2.5211
34 P A -1.8585
35 F A 0.0000
36 K A -1.3874
37 V A 0.0000
38 T A 0.0000
39 V A 0.0000
40 I A 0.0000
41 G A 0.0834
42 S A 0.0000
43 G A -0.5676
44 N A -1.1888
45 W A -0.3222
46 G A 0.0000
47 T A 0.0000
48 T A 0.0000
49 I A 0.0000
50 A A 0.0000
51 K A 0.0000
52 V A 0.0000
53 V A 0.0000
54 A A 0.0000
55 E A -1.2231
56 N A 0.0000
57 C A 0.0000
58 K A -2.2337
59 G A -1.3787
60 Y A -0.9023
61 P A -1.4838
62 E A -2.2091
63 V A -1.6248
64 F A 0.0000
65 A A -0.9288
66 P A -0.8857
67 I A 0.1906
68 V A 0.0000
69 Q A -0.1896
70 M A 0.0000
71 W A 0.0000
72 V A 0.0000
73 F A 1.1262
74 E A -1.2227
75 E A -2.3531
76 E A -3.8479
77 I A -2.4426
78 N A -2.4443
79 G A -2.6538
80 E A -3.6060
81 K A -3.9087
82 L A 0.0000
83 T A 0.0000
84 E A -3.0656
85 I A -1.9314
86 I A 0.0000
87 N A -1.7102
88 T A -1.9868
89 R A -2.4532
90 H A -1.7473
91 Q A -1.1728
92 N A 0.0000
93 V A -0.2259
94 K A -1.3900
95 Y A -0.5994
96 L A 0.0000
97 P A -0.6356
98 G A -0.6802
99 I A -0.4386
100 T A -0.9166
101 L A 0.0000
102 P A -1.2099
103 D A -2.1772
104 N A 0.0000
105 L A 0.0000
106 V A -0.1147
107 A A 0.0000
108 N A -0.6608
109 P A -0.9785
110 D A -1.2806
111 L A -0.7034
112 I A -1.0270
113 D A -1.7979
114 S A 0.0000
115 V A 0.0000
116 K A -3.0631
117 D A -3.3164
118 V A 0.0000
119 D A -2.0212
120 I A 0.0000
121 I A 0.0000
122 V A 0.0000
123 F A 0.0000
124 N A 0.0000
125 I A 0.0000
126 P A -0.9179
127 H A -1.6395
128 Q A -1.6296
129 F A -0.9272
130 L A 0.0000
131 P A -1.5163
132 R A -2.3186
133 I A 0.0000
134 C A 0.0000
135 S A -2.1195
136 Q A -2.3127
137 L A 0.0000
138 K A -2.6438
139 G A -2.1700
140 H A -2.4920
141 V A 0.0000
142 D A -2.9916
143 S A -1.8359
144 H A -2.0015
145 V A 0.0000
146 R A 0.0000
147 A A 0.0000
148 I A 0.0000
149 S A 0.0000
150 C A 0.0000
151 L A 0.0000
152 K A -1.8340
153 G A 0.0000
154 F A 0.0000
155 E A -1.9882
156 V A -1.4672
157 G A -1.7045
158 A A -1.7324
159 K A -1.9285
160 G A -1.3167
161 V A -0.7934
162 Q A -1.1234
163 L A -0.6445
164 L A 0.0000
165 S A 0.0000
166 S A -0.6630
167 Y A -0.8860
168 I A 0.0000
169 T A -1.1693
170 E A -2.0895
171 E A -1.6864
172 L A -1.8402
173 G A -1.7258
174 I A 0.0000
175 Q A -1.0958
176 C A 0.0000
177 G A 0.0000
178 A A 0.0000
179 L A 0.0000
180 S A 0.0000
181 G A -0.3114
182 A A 0.0000
183 N A -0.0698
184 I A 0.6520
185 A A -0.3209
186 T A -0.6910
187 E A -0.9927
188 V A 0.0000
189 A A 0.0000
190 Q A -2.1040
191 E A -2.3636
192 H A -1.5138
193 W A 0.0000
194 S A 0.0000
195 E A 0.0000
196 T A 0.0000
197 T A 0.0000
198 V A 0.0000
199 A A 0.0000
200 Y A 0.0000
201 H A -0.8223
202 I A -0.2457
203 P A -1.2782
204 K A -2.5475
205 D A -2.8248
206 F A -2.1682
207 R A -3.1218
208 G A -2.4554
209 E A -3.0020
210 G A -2.7198
211 K A -3.3009
212 D A 0.0000
213 V A 0.0000
214 D A -1.5058
215 H A -1.3232
216 K A -2.2621
217 V A 0.0000
218 L A 0.0000
219 K A -1.1906
220 A A 0.0000
221 L A 0.0000
222 F A 0.0000
223 H A -0.4995
224 R A -0.7820
225 P A -1.1446
226 Y A -1.1017
227 F A 0.0000
228 H A 0.0000
229 V A 0.0000
230 S A -0.3977
231 V A -0.4014
232 I A -0.4328
233 E A -1.4785
234 D A 0.0000
235 V A 0.0000
236 A A 0.0000
237 G A 0.0000
238 I A 0.0000
239 S A 0.0000
240 I A 0.0000
241 C A 0.0000
242 G A -0.7178
243 A A 0.0000
244 L A 0.0000
245 F A 0.0000 mutated: KA245F
246 N A -0.4613
247 V A 0.0000
248 V A 0.0000
249 A A 0.0000
250 L A 0.0000
251 G A 0.0000
252 C A 0.0000
253 G A 0.0000
254 F A 0.0000
255 V A 0.0000
256 E A -0.9739
257 G A -0.6494
258 L A -0.4672
259 G A -0.7243
260 W A -0.7661
261 G A -1.0014
262 N A -1.4002
263 N A 0.0000
264 A A 0.0000
265 S A 0.0000
266 A A 0.0000
267 A A 0.0000
268 I A 0.0000
269 Q A 0.0000
270 R A -0.4750
271 V A -0.1466
272 G A 0.0000
273 L A 0.0000
274 G A -0.7147
275 E A 0.0000
276 I A 0.0000
277 I A -0.9960
278 R A -1.3691
279 F A 0.0000
280 G A 0.0000
281 Q A -1.5063
282 M A -0.2128
283 F A -0.0687
284 F A -0.7908
285 P A -1.5953
286 E A -2.4266
287 S A 0.0000
288 R A -3.0212
289 E A -2.5073
290 E A -1.8151
291 T A 0.0000
292 Y A 0.0000
293 Y A 0.0000
294 Q A -1.4212
295 E A 0.0000
296 S A 0.0000
297 A A 0.0000
298 G A 0.0000
299 V A 0.0000
300 A A 0.0000
301 D A -0.5261
302 L A 0.0000
303 I A 0.0000
304 T A 0.0000
305 T A -0.7471
306 C A 0.0000
307 A A -0.6970
308 G A -1.1770
309 G A -1.5083
310 R A -2.4017
311 N A 0.0000
312 V A 0.0000
313 K A -1.6884
314 V A 0.0000
315 A A 0.0000
316 R A -1.1576
317 L A -1.2455
318 M A 0.0000
319 A A -1.0661
320 T A -0.6277
321 S A -1.1570
322 G A -1.8897
323 K A -2.9239
324 D A -3.1495
325 A A 0.0000
326 W A -1.6928
327 E A -2.8951
328 C A 0.0000
329 E A -2.8859
330 K A -3.5062
331 E A -2.9867
332 L A -1.9589
333 L A 0.0000
334 N A -2.8515
335 G A -2.1553
336 Q A -2.4518
337 S A -1.6225
338 A A 0.0000
339 Q A -0.8470
340 G A 0.0000
341 L A 0.0000
342 I A 0.5465
343 T A 0.0000
344 C A 0.0000
345 K A -1.0171
346 E A -1.6792
347 V A 0.0000
348 H A -1.6666
349 E A -2.3716
350 W A -1.5736
351 L A 0.0000
352 E A -2.4910
353 T A -1.4545
354 C A -0.7979
355 G A -1.4481
356 S A -1.2771
357 V A -1.8459
358 E A -2.5508
359 D A -2.0091
360 F A 0.0000
361 P A -1.3927
362 L A 0.0000
363 F A 0.0000
364 E A -1.0971
365 A A 0.0000
366 V A 0.0000
367 Y A -0.4559
368 Q A -0.7385
369 I A 0.0000
370 V A 0.0000
371 Y A -0.6234
372 N A -1.6837
373 N A -1.7079
374 Y A -0.6447
375 P A -1.0714
376 M A 0.0000
377 K A -2.1796
378 N A -2.0124
379 L A 0.0000
380 P A 0.0000
381 D A -2.7976
382 M A -1.6261
383 I A 0.0000
384 E A -2.4199
385 E A -2.4984
33 K B -2.5770
34 P B -1.9320
35 F B 0.0000
36 K B -1.5526
37 V B 0.0000
38 T B 0.0000
39 V B 0.0000
40 I B 0.0000
41 G B 0.1507
42 S B 0.0000
43 G B -0.5628
44 N B -1.0727
45 W B -0.1786
46 G B 0.0000
47 T B 0.0000
48 T B 0.0000
49 I B 0.0000
50 A B 0.0000
51 K B 0.0000
52 V B 0.0000
53 V B 0.0000
54 A B 0.0000
55 E B -1.2209
56 N B 0.0000
57 C B 0.0000
58 K B -2.2007
59 G B -1.3170
60 Y B -0.8113
61 P B -1.4237
62 E B -2.1886
63 V B -1.6433
64 F B 0.0000
65 A B -0.9472
66 P B -0.8375
67 I B 0.2694
68 V B 0.0000
69 Q B -0.2301
70 M B 0.0000
71 W B 0.0000
72 V B 0.0000
73 F B 0.9981
74 E B -1.3283
75 E B -2.8917
76 E B -4.1907
77 I B -2.7220
78 N B -2.6892
79 G B -2.9239
80 E B -4.0472
81 K B -3.9560
82 L B 0.0000
83 T B 0.0000
84 E B -3.0677
85 I B -2.0863
86 I B 0.0000
87 N B -1.7004
88 T B -1.9807
89 R B -2.4644
90 H B -1.7234
91 Q B -1.1222
92 N B 0.0000
93 V B -0.5272
94 K B -1.5626
95 Y B -0.5847
96 L B 0.0000
97 P B -0.7048
98 G B -0.6952
99 I B -0.4292
100 T B -0.8613
101 L B 0.0000
102 P B -1.2184
103 D B -2.1707
104 N B 0.0000
105 L B 0.0000
106 V B -0.0590
107 A B 0.0000
108 N B -0.8327
109 P B -1.1463
110 D B -1.6412
111 L B -1.0116
112 I B -1.5074
113 D B -2.5830
114 S B 0.0000
115 V B 0.0000
116 K B -3.2137
117 D B -3.3082
118 V B 0.0000
119 D B -2.2314
120 I B 0.0000
121 I B 0.0000
122 V B 0.0000
123 F B 0.0000
124 N B 0.0000
125 I B 0.0000
126 P B -0.7573
127 H B -1.3879
128 Q B -1.4259
129 F B -0.6324
130 L B 0.0000
131 P B -1.4234
132 R B -2.1629
133 I B 0.0000
134 C B 0.0000
135 S B -2.0404
136 Q B -2.1046
137 L B 0.0000
138 K B -2.6146
139 G B -2.0073
140 H B -2.2499
141 V B -1.9867
142 D B -2.2980
143 S B -1.4717
144 H B -2.0891
145 V B 0.0000
146 R B 0.0000
147 A B 0.0000
148 I B 0.0000
149 S B 0.0000
150 C B 0.0000
151 L B 0.0000
152 K B -1.7992
153 G B 0.0000
154 F B 0.0000
155 E B -1.9436
156 V B 0.0000
157 G B -1.7389
158 A B -1.7162
159 K B -1.9356
160 G B -1.3296
161 V B -0.8280
162 Q B -1.1029
163 L B -0.6016
164 L B 0.0000
165 S B 0.0000
166 S B -0.6717
167 Y B -0.9531
168 I B 0.0000
169 T B -1.2832
170 E B -2.2613
171 E B -2.0659
172 L B -1.7798
173 G B -1.7674
174 I B 0.0000
175 Q B -1.2082
176 C B 0.0000
177 G B 0.0000
178 A B 0.0000
179 L B 0.0000
180 S B 0.0000
181 G B 0.0000
182 A B 0.0000
183 N B 0.4076
184 I B 1.4529
185 A B 0.0348
186 T B -0.4706
187 E B -0.8026
188 V B 0.0000
189 A B 0.0000
190 Q B -2.1977
191 E B -2.5148
192 H B -1.5429
193 W B 0.0000
194 S B 0.0000
195 E B 0.0000
196 T B 0.0000
197 T B 0.0000
198 V B 0.0000
199 A B 0.0000
200 Y B 0.0000
201 H B -1.1249
202 I B -0.5457
203 P B -1.4295
204 K B -2.4905
205 D B -2.5830
206 F B -2.1965
207 R B -3.2279
208 G B -2.8068
209 E B -3.2032
210 G B -2.8405
211 K B -3.4903
212 D B 0.0000
213 V B 0.0000
214 D B -1.7155
215 H B -1.2729
216 K B -2.2136
217 V B 0.0000
218 L B 0.0000
219 K B -1.0374
220 A B -0.6414
221 L B 0.0000
222 F B 0.0000
223 H B -0.4745
224 R B -0.8094
225 P B -1.1831
226 Y B 0.0000
227 F B 0.0000
228 H B 0.0000
229 V B 0.0000
230 S B -0.3440
231 V B -0.1736
232 I B 0.0236
233 E B -0.7840
234 D B 0.0000
235 V B -0.4450
236 A B 0.0000
237 G B 0.0000
238 I B 0.0000
239 S B 0.0000
240 I B 0.0000
241 C B 0.0000
242 G B -0.7488
243 A B -0.7799
244 L B 0.0000
245 F B 0.0000 mutated: KB245F
246 N B -0.5237
247 V B 0.0000
248 V B 0.0000
249 A B 0.0000
250 L B 0.0000
251 G B 0.0000
252 C B 0.0000
253 G B 0.0000
254 F B 0.0000
255 V B 0.0000
256 E B -1.0773
257 G B -0.6630
258 L B -0.4987
259 G B -0.7818
260 W B -0.8428
261 G B -1.1117
262 N B -1.6351
263 N B -0.8314
264 A B 0.0000
265 S B 0.0000
266 A B 0.0000
267 A B 0.0000
268 I B 0.0000
269 Q B 0.0000
270 R B -0.4062
271 V B -0.2121
272 G B 0.0000
273 L B 0.0000
274 G B -0.7060
275 E B 0.0000
276 I B 0.0000
277 I B 0.0000
278 R B -1.2238
279 F B 0.0000
280 G B 0.0000
281 Q B -1.3678
282 M B -0.1658
283 F B -0.0551
284 F B -0.7573
285 P B -1.6622
286 E B -2.3661
287 S B 0.0000
288 R B -3.1461
289 E B -2.8093
290 E B -2.7814
291 T B 0.0000
292 Y B 0.0000
293 Y B 0.0000
294 Q B -1.7596
295 E B 0.0000
296 S B 0.0000
297 A B 0.0000
298 G B 0.0000
299 V B 0.0000
300 A B 0.0000
301 D B -0.4604
302 L B 0.0000
303 I B 0.0000
304 T B 0.0000
305 T B -0.6027
306 C B 0.0000
307 A B -0.6094
308 G B -0.9704
309 G B -1.2297
310 R B -1.9586
311 N B 0.0000
312 V B 0.0000
313 K B -1.3409
314 V B 0.0000
315 A B 0.0000
316 R B -1.0728
317 L B -1.0898
318 M B 0.0000
319 A B -0.9599
320 T B -0.5611
321 S B -0.9711
322 G B -1.6279
323 K B -2.3966
324 D B -2.7344
325 A B 0.0000
326 W B -1.6029
327 E B -2.9190
328 C B 0.0000
329 E B 0.0000
330 K B -3.5105
331 E B -3.0182
332 L B -1.8284
333 L B 0.0000
334 N B -2.8354
335 G B -2.1443
336 Q B -2.3654
337 S B -1.5818
338 A B 0.0000
339 Q B -1.2507
340 G B 0.0000
341 L B 0.0000
342 I B 0.3310
343 T B 0.0000
344 C B 0.0000
345 K B -0.9205
346 E B -1.6433
347 V B 0.0000
348 H B -1.5538
349 E B -2.2841
350 W B -1.5307
351 L B 0.0000
352 E B -2.4263
353 T B -1.3985
354 C B -0.7027
355 G B -1.3898
356 S B -1.2298
357 V B -1.7351
358 E B -2.4957
359 D B -1.9382
360 F B 0.0000
361 P B -1.3162
362 L B 0.0000
363 F B 0.0000
364 E B -0.9030
365 A B 0.0000
366 V B 0.0000
367 Y B -0.3730
368 Q B -0.6622
369 I B 0.0000
370 V B 0.0000
371 Y B -0.5981
372 N B -1.6103
373 N B -1.6339
374 Y B -0.5581
375 P B -1.0338
376 M B -0.9605
377 K B -2.1107
378 N B -1.9160
379 L B 0.0000
380 P B 0.0000
381 D B -2.7579
382 M B -1.5974
383 I B 0.0000
384 E B -2.3538
385 E B -2.4768

 

Laboratory of Theory of Biopolymers 2015