Project name: 1POK [mutate: KB247L, KA247L]

Status: done

submitted: 2017-09-13 16:10:59, status changed: 2017-09-13 16:29:38
Settings
Chain sequence(s) A: MIDYTAAGFTLLQGAHLYAPEDRGICDVLVANGKIIAVASNIPSDIVPNCTVVDLSGQILCPGFIDQHVHLIGGGGEAGPTTRTPEVALSRLTEAGVTSVVGLLGTDSISRHPESLLAKTRALNEEGISAWMLTGAYHVPSRTITGSVEKDVAIIDRVIGVCAISDHRSAAPDVYHLANMAAESRVGGLLGGKPGVTVFHMGDSKKALQPIYDLLENCDVPISKLLPTHVNRNVPLFEQALEFARKGGTIDITSSIDEPVAPAEGIARAVQAGIPLARVTLSSDGNGSHIGVAGFETLLETVQVLVKDYDFSISDALRPLTSSVAGFLNLTGKGEILPGNDADLLVMTPELRIEQVYARGKLMVKDGKACVKGTFE
B: MIDYTAAGFTLLQGAHLYAPEDRGICDVLVANGKIIAVASNIPSDIVPNCTVVDLSGQILCPGFIDQHVHLIGGGGEAGPTTRTPEVALSRLTEAGVTSVVGLLGTDSISRHPESLLAKTRALNEEGISAWMLTGAYHVPSRTITGSVEKDVAIIDRVIGVCAISDHRSAAPDVYHLANMAAESRVGGLLGGKPGVTVFHMGDSKKALQPIYDLLENCDVPISKLLPTHVNRNVPLFEQALEFARKGGTIDITSSIDEPVAPAEGIARAVQAGIPLARVTLSSDGNGSVAGFETLLETVQVLVKDYDFSISDALRPLTSSVAGFLNLTGKGEILPGNDADLLVMTPELRIEQVYARGKLMVKDGKACVKGTFE
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues KB247L, KA247L
Energy difference between WT (input) and mutated protein (by FoldX) 0.0749346 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
-0.5596
Total score value
-419.1242

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 -0.2982
17 L B 0.0000
18 Y B 0.0000
19 A B 0.0000
20 P B 0.0000
21 E B -3.2684
22 D B -2.9960
23 R B -1.7393
24 G B -0.4577
25 I B 0.9153
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 -1.7681
34 K B -1.3932
35 I B 0.0000
36 I B 0.7371
37 A B 0.6792
38 V B 0.5640
39 A B 0.0549
40 S B -0.3983
41 N B -1.0540
42 I B -0.5294
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 -1.9377
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 -1.7827
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 -0.9037
175 V B -0.5060
176 Y B 0.0873
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 -2.8068
205 S B -2.6123
206 K B -3.1771
207 K B -3.1627
208 A B 0.0000
209 L B 0.0000
210 Q B -1.8322
211 P B -1.0705
212 I B 0.0000
213 Y B -0.8416
214 D B -1.5561
215 L B 0.0000
216 L B -1.3703
217 E B -2.6572
218 N B -2.2945
219 C B -1.8396
220 D B -2.1726
221 V B 0.0000
222 P B -0.6431
223 I B 0.1137
224 S B -0.1621
225 K B -0.4823
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 -1.4562
234 N B -1.3674
235 V B -0.7398
236 P B -1.4124
237 L B 0.0000
238 F B 0.0000
239 E B -2.3664
240 Q B -2.0034
241 A B 0.0000
242 L B -1.7622
243 E B -2.4289
244 F B 0.0000
245 A B 0.0000
246 R B -1.7959
247 L B 0.2737 mutated: KB247L
248 G B -0.2279
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 -0.9956
257 I B -1.3293
258 D B -2.7298
259 E B -2.8357
260 P B -1.7207
261 V B 0.0000
262 A B -1.6545
263 P B 0.0000
264 A B 0.0000
265 E B -1.2480
266 G B 0.0000
267 I B 0.0000
268 A B -0.7893
269 R B -1.4938
270 A B 0.0000
271 V B -0.1218
272 Q B -1.2771
273 A B -1.4395
274 G B -0.9683
275 I B 0.0000
276 P B -0.4419
277 L B -0.1969
278 A B -0.3926
279 R B -0.7573
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 0.4605
306 G B -0.5537
307 F B 0.0000
308 E B -2.5072
309 T B -1.7478
310 L B 0.0000
311 L B -1.5368
312 E B -2.3280
313 T B 0.0000
314 V B 0.0000
315 Q B -1.7066
316 V B -1.4347
317 L B 0.0000
318 V B -1.6809
319 K B -2.7164
320 D B -2.6264
321 Y B -1.6972
322 D B -2.2424
323 F B -1.1327
324 S B -1.2314
325 I B -1.0509
326 S B -1.7336
327 D B -1.8907
328 A B 0.0000
329 L B 0.0000
330 R B -1.1771
331 P B 0.0000
332 L B 0.0000
333 T B 0.0000
334 S B -0.8458
335 S B 0.0000
336 V B 0.0000
337 A B 0.0000
338 G B -1.0032
339 F B -0.6081
340 L B 0.0000
341 N B -1.5230
342 L B 0.0000
343 T B -0.7900
344 G B -0.7163
345 K B 0.0000
346 G B 0.0000
347 E B -1.1545
348 I B 0.0000
349 L B 0.5461
350 P B 0.2198
351 G B -0.4554
352 N B -0.6762
353 D B -1.1255
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 -2.5358
363 L B 0.0000
364 R B -2.9686
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 -1.7456
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 -0.7715
14 G A -0.6742
15 A A 0.0000
16 H A -0.2321
17 L A 0.0000
18 Y A 0.0000
19 A A 0.0000
20 P A 0.0000
21 E A -2.6099
22 D A -2.5640
23 R A -1.3516
24 G A -0.1605
25 I A 1.0534
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 -1.9014
34 K A -1.3929
35 I A 0.0000
36 I A 0.4630
37 A A 0.4788
38 V A 0.3587
39 A A -0.0012
40 S A -0.4307
41 N A -1.1702
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 -1.3087
116 L A 0.0000
117 L A -0.9650
118 A A -0.8173
119 K A -1.1961
120 T A 0.0000
121 R A -1.3833
122 A A -1.1826
123 L A 0.0000
124 N A -1.4990
125 E A -2.3085
126 E A -1.6594
127 G A -1.5566
128 I A 0.0000
129 S A 0.0000
130 A A 0.0000
131 W A -0.2973
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 -0.6226
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 -0.9879
175 V A -0.3797
176 Y A 0.3898
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 -1.5633
211 P A -1.0545
212 I A 0.0000
213 Y A -0.6633
214 D A -1.2994
215 L A 0.0000
216 L A -1.2622
217 E A -2.5677
218 N A -2.1465
219 C A -1.6698
220 D A -2.1944
221 V A 0.0000
222 P A -0.6010
223 I A 0.1113
224 S A -0.1296
225 K A -0.4473
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 -1.2591
235 V A 0.0087
236 P A -1.1958
237 L A 0.0000
238 F A 0.0000
239 E A -2.1599
240 Q A -1.9479
241 A A 0.0000
242 L A 0.0000
243 E A -2.6231
244 F A 0.0000
245 A A 0.0000
246 R A -1.9704
247 L A 0.1913 mutated: KA247L
248 G A -0.2520
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 -2.1391
270 A A 0.0000
271 V A -0.4124
272 Q A -1.4504
273 A A -1.5999
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 -1.6280
316 V A -1.4278
317 L A 0.0000
318 V A -1.4129
319 K A -2.6945
320 D A -2.7063
321 Y A -1.7395
322 D A -2.1931
323 F A -1.0278
324 S A -1.0378
325 I A -0.9123
326 S A 0.0000
327 D A -1.5682
328 A A 0.0000
329 L A 0.0000
330 R A -1.3515
331 P A 0.0000
332 L A 0.0000
333 T A 0.0000
334 S A -0.8938
335 S A 0.0000
336 V A 0.0000
337 A A 0.0000
338 G A -0.9935
339 F A -0.5741
340 L A 0.0000
341 N A -1.5122
342 L A 0.0000
343 T A -0.7892
344 G A -0.7939
345 K A 0.0000
346 G A -0.7009
347 E A -1.1627
348 I A 0.0000
349 L A 0.2746
350 P A 0.0168
351 G A -0.4940
352 N A -0.7924
353 D A -1.3159
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 -1.5453
362 E A -2.5693
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 -1.8349
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 -1.1860
386 T A -0.0416
387 F A 0.7583
388 E A -1.2743

 

Laboratory of Theory of Biopolymers 2015