Project name: 1POK [mutate: KB247Y, KA247Y]

Status: done

submitted: 2017-09-13 16:10:08, status changed: 2017-09-13 16:26:32
Settings
Chain sequence(s) A: MIDYTAAGFTLLQGAHLYAPEDRGICDVLVANGKIIAVASNIPSDIVPNCTVVDLSGQILCPGFIDQHVHLIGGGGEAGPTTRTPEVALSRLTEAGVTSVVGLLGTDSISRHPESLLAKTRALNEEGISAWMLTGAYHVPSRTITGSVEKDVAIIDRVIGVCAISDHRSAAPDVYHLANMAAESRVGGLLGGKPGVTVFHMGDSKKALQPIYDLLENCDVPISKLLPTHVNRNVPLFEQALEFARKGGTIDITSSIDEPVAPAEGIARAVQAGIPLARVTLSSDGNGSHIGVAGFETLLETVQVLVKDYDFSISDALRPLTSSVAGFLNLTGKGEILPGNDADLLVMTPELRIEQVYARGKLMVKDGKACVKGTFE
B: MIDYTAAGFTLLQGAHLYAPEDRGICDVLVANGKIIAVASNIPSDIVPNCTVVDLSGQILCPGFIDQHVHLIGGGGEAGPTTRTPEVALSRLTEAGVTSVVGLLGTDSISRHPESLLAKTRALNEEGISAWMLTGAYHVPSRTITGSVEKDVAIIDRVIGVCAISDHRSAAPDVYHLANMAAESRVGGLLGGKPGVTVFHMGDSKKALQPIYDLLENCDVPISKLLPTHVNRNVPLFEQALEFARKGGTIDITSSIDEPVAPAEGIARAVQAGIPLARVTLSSDGNGSVAGFETLLETVQVLVKDYDFSISDALRPLTSSVAGFLNLTGKGEILPGNDADLLVMTPELRIEQVYARGKLMVKDGKACVKGTFE
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues KB247Y, KA247Y
Energy difference between WT (input) and mutated protein (by FoldX) 0.1902 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
-3.638
Maximal score value
2.2705
Average score
-0.5562
Total score value
-416.6292

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 B 1.7258
2 I B 1.7528
3 D B -0.3027
4 Y B 0.3462
5 T B -0.3924
6 A B -0.4434
7 A B -0.7314
8 G B -0.9532
9 F B -0.1755
10 T B -0.1991
11 L B 0.0000
12 L B 0.0000
13 Q B -0.7737
14 G B -0.5987
15 A B 0.0000
16 H B -0.2988
17 L B 0.0000
18 Y B 0.0000
19 A B 0.0000
20 P B 0.0000
21 E B -3.2729
22 D B -2.9974
23 R B -1.7421
24 G B -0.4590
25 I B 0.9147
26 C B 0.0000
27 D B 0.0000
28 V B 0.0000
29 L B 0.0000
30 V B 0.0000
31 A B -0.7745
32 N B -1.8239
33 G B -1.7677
34 K B -1.3820
35 I B 0.0000
36 I B 0.7549
37 A B 0.6980
38 V B 0.5859
39 A B 0.0641
40 S B -0.3983
41 N B -1.0538
42 I B -0.5292
43 P B -0.3978
44 S B -0.5535
45 D B -1.0309
46 I B 0.7524
47 V B 0.2973
48 P B -0.3583
49 N B -0.6944
50 C B -0.0741
51 T B 0.0370
52 V B 0.1674
53 V B -0.3152
54 D B -1.7252
55 L B 0.0000
56 S B -0.9013
57 G B -0.8305
58 Q B -1.2936
59 I B 0.0000
60 L B 0.0000
61 C B 0.0000
62 P B 0.0000
63 G B 0.0000
64 F B 0.0000
65 I B 0.0000
66 D B 0.0000
67 Q B 0.0000
68 H B 0.0000
69 V B 0.0000
70 H B 0.0000
71 L B 0.0000
72 I B -0.8462
73 G B 0.0000
74 G B 0.0000
75 G B -0.7717
76 G B -1.2004
77 E B -1.6977
78 A B -0.9398
79 G B -0.9569
80 P B -0.9858
81 T B -0.7492
82 T B -0.8158
83 R B -1.4305
84 T B 0.0000
85 P B -1.0603
86 E B -1.9881
87 V B 0.0000
88 A B -1.3211
89 L B 0.0000
90 S B 0.0000
91 R B -2.1378
92 L B 0.0000
93 T B 0.0000
94 E B -1.9378
95 A B 0.0000
96 G B 0.0000
97 V B 0.0000
98 T B 0.0000
99 S B 0.0000
100 V B 0.0000
101 V B 0.0000
102 G B 0.0000
103 L B 0.0000
104 L B 0.0000
105 G B 0.0000
106 T B -0.3177
107 D B -0.2712
108 S B 0.0000
109 I B 1.5668
110 S B 0.4782
111 R B 0.0000
112 H B -1.0933
113 P B 0.0000
114 E B -1.8308
115 S B -1.2763
116 L B 0.0000
117 L B -1.0155
118 A B -0.8863
119 K B -1.2449
120 T B 0.0000
121 R B -1.9547
122 A B -1.3951
123 L B 0.0000
124 N B -1.6382
125 E B -2.4121
126 E B -1.7144
127 G B -1.3538
128 I B 0.0000
129 S B 0.0000
130 A B 0.0000
131 W B -0.3861
132 M B 0.0000
133 L B 0.0000
134 T B 0.0000
135 G B 0.0000
136 A B 0.0000
137 Y B 0.0000
138 H B -0.7421
139 V B 0.0000
140 P B -1.1211
141 S B -0.9837
142 R B -1.3118
143 T B -1.1619
144 I B -0.5820
145 T B -0.3773
146 G B -0.8964
147 S B -1.0810
148 V B 0.0000
149 E B -0.8753
150 K B -0.5106
151 D B 0.0000
152 V B 0.0000
153 A B 0.7873
154 I B 1.4745
155 I B 0.2853
156 D B -1.0531
157 R B -0.7741
158 V B 0.0000
159 I B 0.0000
160 G B 0.0000
161 V B 0.0000
163 C B 0.0000
164 A B 0.0000
165 I B 0.0000
166 S B 0.0000
167 D B -1.7819
168 H B -1.6504
169 R B -1.2578
170 S B -0.7173
171 A B -0.5575
172 A B -0.5278
173 P B -0.5893
174 D B -0.9020
175 V B -0.5056
176 Y B 0.0892
177 H B -0.9008
178 L B 0.0000
179 A B 0.0000
180 N B -1.5642
181 M B 0.0000
182 A B 0.0000
183 A B -1.3115
184 E B -1.2085
185 S B 0.0000
186 R B -0.3707
187 V B 0.5821
188 G B 0.0000
189 G B 0.0000
190 L B 1.9391
191 L B 2.2407
192 G B 0.9168
193 G B 0.2961
194 K B -0.1101
195 P B -0.4786
196 G B 0.0000
197 V B 0.0000
198 T B 0.0000
199 V B 0.0000
200 F B 0.0000
201 H B 0.0000
202 M B 0.0000
203 G B 0.0000
204 D B -2.8059
205 S B -2.6106
206 K B -3.1822
207 K B -3.1772
208 A B -2.2114
209 L B 0.0000
210 Q B -1.8969
211 P B -1.0951
212 I B 0.0000
213 Y B -0.8660
214 D B -1.5659
215 L B 0.0000
216 L B -1.3985
217 E B -2.6663
218 N B -2.2994
219 C B -1.8458
220 D B -2.1785
221 V B 0.0000
222 P B -0.6448
223 I B 0.0785
224 S B -0.1844
225 K B -0.4805
226 L B 0.0000
227 L B 0.0000
228 P B 0.0000
229 T B 0.0000
230 H B 0.0000
231 V B 0.0000
232 N B 0.0000
233 R B -1.4571
234 N B -1.3684
235 V B -0.7582
236 P B -1.4376
237 L B 0.0000
238 F B 0.0000
239 E B -2.1491
240 Q B -1.6327
241 A B 0.0000
242 L B -1.1044
243 E B -1.1553
244 F B 0.0000
245 A B 0.0000
246 R B -0.8577
247 Y B 0.6290 mutated: KB247Y
248 G B -0.0046
249 G B 0.0000
250 T B 0.0000
251 I B 0.0000
252 D B 0.0000
253 I B 0.0000
254 T B 0.0000
255 S B 0.0000
256 S B -0.9952
257 I B -1.3292
258 D B -2.7298
259 E B -2.8366
260 P B -1.7224
261 V B 0.0000
262 A B -1.6548
263 P B 0.0000
264 A B 0.0000
265 E B -1.2481
266 G B 0.0000
267 I B 0.0000
268 A B -0.7893
269 R B -1.4939
270 A B 0.0000
271 V B -0.1219
272 Q B -1.2772
273 A B -1.1869
274 G B -0.8559
275 I B 0.0000
276 P B -0.3527
277 L B -0.1969
278 A B -0.3926
279 R B -0.6703
280 V B 0.0000
281 T B 0.0000
282 L B 0.0000
283 S B 0.0000
284 S B 0.0000
285 D B -0.0844
286 G B 0.0000
287 N B 0.0000
288 G B 0.0000
289 S B 0.0596
304 V B 1.4959
305 A B 0.4607
306 G B -0.5534
307 F B 0.0000
308 E B -2.5066
309 T B -1.7461
310 L B 0.0000
311 L B -1.5366
312 E B -2.3269
313 T B 0.0000
314 V B 0.0000
315 Q B -1.7042
316 V B -1.4335
317 L B 0.0000
318 V B -1.6800
319 K B -2.7157
320 D B -2.6261
321 Y B -1.6970
322 D B -2.2424
323 F B -1.1325
324 S B -1.2311
325 I B -1.0505
326 S B -1.7339
327 D B -1.8907
328 A B 0.0000
329 L B 0.0000
330 R B -1.1803
331 P B 0.0000
332 L B 0.0000
333 T B 0.0000
334 S B -0.8535
335 S B 0.0000
336 V B 0.0000
337 A B 0.0000
338 G B -1.0061
339 F B -0.6081
340 L B 0.0000
341 N B -1.5230
342 L B 0.0000
343 T B -0.7925
344 G B -0.7087
345 K B 0.0000
346 G B 0.0000
347 E B -1.1620
348 I B 0.0000
349 L B 0.6148
350 P B 0.2646
351 G B -0.4317
352 N B -0.6541
353 D B -1.1159
354 A B 0.0000
355 D B 0.0000
356 L B 0.0000
357 L B 0.0000
358 V B 0.0000
359 M B 0.0000
360 T B -1.8181
361 P B -1.6057
362 E B -2.5354
363 L B 0.0000
364 R B -2.9684
365 I B 0.0000
366 E B -3.1513
367 Q B -2.3061
368 V B 0.0000
369 Y B 0.0000
370 A B 0.0000
371 R B -1.7452
372 G B -1.5527
373 K B -1.3208
374 L B -0.5579
375 M B 0.0000
376 V B 0.0000
377 K B -3.2191
378 D B -3.6380
379 G B -3.1847
380 K B -3.1518
381 A B 0.0000
382 C B -0.9433
383 V B -0.8189
384 K B -1.7312
385 G B -1.1773
386 T B -0.0436
387 F B 0.7360
388 E B -1.2964
1 M A 1.6639
2 I A 1.7015
3 D A -0.4103
4 Y A 0.0844
5 T A -0.4754
6 A A -0.5122
7 A A -0.6835
8 G A -1.0080
9 F A -0.1875
10 T A -0.2098
11 L A 0.0000
12 L A 0.0000
13 Q A -0.7712
14 G A -0.6742
15 A A 0.0000
16 H A -0.2317
17 L A 0.0000
18 Y A 0.0000
19 A A 0.0000
20 P A 0.0000
21 E A -3.2144
22 D A -2.8470
23 R A -1.5058
24 G A -0.2229
25 I A 1.0538
26 C A 0.0000
27 D A 0.0000
28 V A 0.0000
29 L A 0.0000
30 V A 0.0000
31 A A 0.0000
32 N A -1.9175
33 G A -1.9012
34 K A -1.3524
35 I A 0.0000
36 I A 0.5309
37 A A 0.5530
38 V A 0.4476
39 A A 0.0376
40 S A -0.4298
41 N A -1.1699
42 I A 0.0000
43 P A -0.5999
44 S A -0.5789
45 D A -0.9728
46 I A 0.8923
47 V A 0.4024
48 P A -0.2795
49 N A -0.5506
50 C A 0.0219
51 T A 0.0463
52 V A 0.1422
53 V A -0.3032
54 D A -1.7128
55 L A 0.0000
56 S A -0.9196
57 G A -0.8222
58 Q A -0.9977
59 I A 0.0000
60 L A 0.0000
61 C A 0.0000
62 P A 0.0000
63 G A 0.0000
64 F A 0.0000
65 I A 0.0000
66 D A 0.0000
67 Q A 0.0000
68 H A 0.0000
69 V A 0.0000
70 H A 0.0000
71 L A 0.0000
72 I A 0.0000
73 G A 0.0000
74 G A 0.0000
75 G A -0.7680
76 G A -1.4361
77 E A -1.7006
78 A A -0.6437
79 G A -0.8906
80 P A -0.9858
81 T A -0.7465
82 T A -0.5961
83 R A -1.6443
84 T A 0.0000
85 P A -1.2482
86 E A -2.0893
87 V A 0.0000
88 A A -1.4267
89 L A 0.0000
90 S A 0.0000
91 R A -2.3177
92 L A 0.0000
93 T A 0.0000
94 E A -2.0519
95 A A -1.5732
96 G A 0.0000
97 V A 0.0000
98 T A 0.0000
99 S A 0.0000
100 V A 0.0000
101 V A 0.0000
102 G A 0.0000
103 L A 0.0000
104 L A 0.0000
105 G A -0.3947
106 T A -0.3109
107 D A -0.2957
108 S A 0.0000
109 I A 1.5652
110 S A 0.4208
111 R A 0.0000
112 H A -1.0900
113 P A 0.0000
114 E A -1.9708
115 S A -1.3091
116 L A 0.0000
117 L A -0.9662
118 A A -0.8203
119 K A -1.1997
120 T A 0.0000
121 R A -1.3919
122 A A -1.1899
123 L A 0.0000
124 N A -1.5113
125 E A -2.3151
126 E A -1.6639
127 G A -1.5605
128 I A 0.0000
129 S A 0.0000
130 A A 0.0000
131 W A -0.2993
132 M A 0.0000
133 L A 0.0000
134 T A 0.0000
135 G A 0.0000
136 A A 0.0000
137 Y A -0.3298
138 H A -0.5743
139 V A 0.0000
140 P A -0.9544
141 S A -0.8905
142 R A -1.2508
143 T A -1.1952
144 I A -0.6334
145 T A -0.4313
146 G A -0.9232
147 S A -1.1066
148 V A 0.0000
149 E A -0.8292
150 K A -0.6180
151 D A 0.0000
152 V A 0.0000
153 A A 0.8280
154 I A 1.4687
155 I A 0.4124
156 D A -0.7775
157 R A -0.6232
158 V A 0.0000
159 I A 0.0000
160 G A 0.0000
161 V A 0.0000
163 C A 0.0000
164 A A 0.0000
165 I A 0.0000
166 S A -1.7351
167 D A -1.7427
168 H A -1.6417
169 R A -1.2326
170 S A -0.6671
171 A A -0.5303
172 A A -0.5968
173 P A -0.5859
174 D A -0.9882
175 V A -0.3752
176 Y A 0.3895
177 H A -0.4169
178 L A 0.0000
179 A A 0.0000
180 N A -0.7536
181 M A 0.0000
182 A A 0.0000
183 A A -0.8685
184 E A -0.8061
185 S A 0.0000
186 R A -0.0928
187 V A 0.9232
188 G A 0.0000
189 G A 0.0000
190 L A 2.0710
191 L A 2.2705
192 G A 0.9923
193 G A 0.2923
194 K A -0.0850
195 P A 0.0000
196 G A 0.0000
197 V A 0.0000
198 T A 0.0000
199 V A 0.0000
200 F A 0.0000
201 H A 0.0000
202 M A 0.0000
203 G A 0.0000
204 D A -2.9709
205 S A -2.6812
206 K A -3.1998
207 K A -3.1183
208 A A 0.0000
209 L A 0.0000
210 Q A -1.5494
211 P A -1.0435
212 I A 0.0000
213 Y A -0.6245
214 D A -1.2812
215 L A 0.0000
216 L A -1.2382
217 E A -2.5544
218 N A -2.1388
219 C A -1.6668
220 D A -2.1905
221 V A 0.0000
222 P A -0.5952
223 I A 0.0884
224 S A -0.1516
225 K A -0.4447
226 L A 0.0000
227 L A 0.0000
228 P A 0.0000
229 T A 0.0000
230 H A 0.0000
231 V A 0.0000
232 N A 0.0000
233 R A -1.6333
234 N A -1.2253
235 V A 0.0800
236 P A -1.0970
237 L A 0.0000
238 F A 0.0000
239 E A -1.8129
240 Q A -1.6658
241 A A 0.0000
242 L A 0.0000
243 E A -2.2320
244 F A 0.0000
245 A A 0.0000
246 R A -1.9428
247 Y A 0.0509 mutated: KA247Y
248 G A -0.3153
249 G A 0.0000
250 T A 0.0000
251 I A 0.0000
252 D A 0.0000
253 I A 0.0000
254 T A 0.0000
255 S A 0.0000
256 S A -1.0030
257 I A -1.3736
258 D A -2.8273
259 E A -2.8690
260 P A -1.6954
261 V A -1.5093
262 A A -1.7725
263 P A 0.0000
264 A A 0.0000
265 E A -1.9258
266 G A 0.0000
267 I A 0.0000
268 A A 0.0000
269 R A -2.1111
270 A A 0.0000
271 V A -0.4124
272 Q A -1.4504
273 A A -1.5233
274 G A -1.0729
275 I A 0.0000
276 P A -0.4515
277 L A -0.2296
278 A A -0.4399
279 R A -0.7585
280 V A 0.0000
281 T A 0.0000
282 L A 0.0000
283 S A 0.0000
284 S A 0.0000
285 D A -0.3472
286 G A 0.0000
287 N A 0.0000
288 G A 0.0000
289 S A -0.0188
301 H A 0.0423
302 I A 1.6004
303 G A 0.8620
304 V A 0.8733
305 A A 0.2125
306 G A -0.8209
307 F A 0.0000
308 E A -2.5147
309 T A -1.7939
310 L A 0.0000
311 L A -1.4320
312 E A -2.2425
313 T A 0.0000
314 V A 0.0000
315 Q A -1.6261
316 V A -1.4261
317 L A 0.0000
318 V A -1.4073
319 K A -2.6918
320 D A -2.7049
321 Y A -1.7380
322 D A -2.1913
323 F A -1.0255
324 S A -1.0966
325 I A -0.9861
326 S A 0.0000
327 D A -1.6676
328 A A 0.0000
329 L A 0.0000
330 R A -1.4580
331 P A 0.0000
332 L A 0.0000
333 T A 0.0000
334 S A -1.0220
335 S A 0.0000
336 V A 0.0000
337 A A 0.0000
338 G A -1.0171
339 F A -0.5741
340 L A 0.0000
341 N A -1.5123
342 L A 0.0000
343 T A -0.8160
344 G A -0.7946
345 K A 0.0000
346 G A -0.7735
347 E A -1.3673
348 I A 0.0000
349 L A 0.5267
350 P A 0.1810
351 G A -0.4174
352 N A -0.7419
353 D A -1.2998
354 A A 0.0000
355 D A 0.0000
356 L A 0.0000
357 L A 0.0000
358 V A 0.0000
359 M A 0.0000
360 T A -1.5143
361 P A -1.5451
362 E A -2.5687
363 L A 0.0000
364 R A -2.3249
365 I A 0.0000
366 E A -2.2933
367 Q A -1.8892
368 V A 0.0000
369 Y A 0.0000
370 A A 0.0000
371 R A -1.8347
372 G A -1.8977
373 K A -1.9861
374 L A -0.9533
375 M A 0.0000
376 V A 0.0000
377 K A -3.0427
378 D A -3.4528
379 G A -2.7477
380 K A -3.0768
381 A A 0.0000
382 C A -1.1171
383 V A -0.9619
384 K A -1.6896
385 G A -1.1863
386 T A -0.0419
387 F A 0.7583
388 E A -1.2743

 

Laboratory of Theory of Biopolymers 2015