Project name: 1POK [mutate: EB239Y, EB243Y, KB247Y, EA239Y, EA243Y, KA247Y]

Status: done

submitted: 2017-09-13 16:13:51, status changed: 2017-09-13 16:28:02
Settings
Chain sequence(s) A: MIDYTAAGFTLLQGAHLYAPEDRGICDVLVANGKIIAVASNIPSDIVPNCTVVDLSGQILCPGFIDQHVHLIGGGGEAGPTTRTPEVALSRLTEAGVTSVVGLLGTDSISRHPESLLAKTRALNEEGISAWMLTGAYHVPSRTITGSVEKDVAIIDRVIGVCAISDHRSAAPDVYHLANMAAESRVGGLLGGKPGVTVFHMGDSKKALQPIYDLLENCDVPISKLLPTHVNRNVPLFEQALEFARKGGTIDITSSIDEPVAPAEGIARAVQAGIPLARVTLSSDGNGSHIGVAGFETLLETVQVLVKDYDFSISDALRPLTSSVAGFLNLTGKGEILPGNDADLLVMTPELRIEQVYARGKLMVKDGKACVKGTFE
B: MIDYTAAGFTLLQGAHLYAPEDRGICDVLVANGKIIAVASNIPSDIVPNCTVVDLSGQILCPGFIDQHVHLIGGGGEAGPTTRTPEVALSRLTEAGVTSVVGLLGTDSISRHPESLLAKTRALNEEGISAWMLTGAYHVPSRTITGSVEKDVAIIDRVIGVCAISDHRSAAPDVYHLANMAAESRVGGLLGGKPGVTVFHMGDSKKALQPIYDLLENCDVPISKLLPTHVNRNVPLFEQALEFARKGGTIDITSSIDEPVAPAEGIARAVQAGIPLARVTLSSDGNGSVAGFETLLETVQVLVKDYDFSISDALRPLTSSVAGFLNLTGKGEILPGNDADLLVMTPELRIEQVYARGKLMVKDGKACVKGTFE
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues EB239Y, EB243Y, KB247Y, EA239Y, EA243Y, KA247Y
Energy difference between WT (input) and mutated protein (by FoldX) -1.21974 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
-0.5264
Total score value
-394.2701

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 -0.2999
17 L B 0.0000
18 Y B 0.0000
19 A B 0.0000
20 P B 0.0000
21 E B -3.2632
22 D B -2.9947
23 R B -1.7477
24 G B -0.4618
25 I B 0.9135
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 -1.7678
34 K B -1.3830
35 I B 0.0000
36 I B 0.7535
37 A B 0.6967
38 V B 0.5844
39 A B 0.0629
40 S B -0.3989
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 -1.9377
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 -0.9028
175 V B -0.5046
176 Y B 0.0883
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 -2.8152
205 S B -2.6124
206 K B -3.1778
207 K B -3.1643
208 A B 0.0000
209 L B 0.0000
210 Q B -1.8403
211 P B -1.0714
212 I B 0.0000
213 Y B -0.8437
214 D B -1.5517
215 L B 0.0000
216 L B -1.3689
217 E B -2.6557
218 N B -2.2932
219 C B -1.8386
220 D B -2.1718
221 V B 0.0000
222 P B -0.6407
223 I B 0.0832
224 S B -0.1850
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 -1.4744
234 N B -1.0225
235 V B -0.0473
236 P B -0.5344
237 L B 0.0000
238 F B 0.0000
239 Y B 0.9627 mutated: EB239Y
240 Q B 0.1978
241 A B 0.0000
242 L B 0.0000
243 Y B 0.6180 mutated: EB243Y
244 F B 0.0000
245 A B 0.0000
246 R B -1.1330
247 Y B 0.5804 mutated: KB247Y
248 G B -0.0693
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 -0.9954
257 I B -1.3293
258 D B -2.8038
259 E B -2.9131
260 P B -1.8081
261 V B 0.0000
262 A B -1.8621
263 P B 0.0000
264 A B 0.0000
265 E B -1.8802
266 G B 0.0000
267 I B 0.0000
268 A B 0.0000
269 R B -1.6728
270 A B 0.0000
271 V B -0.4683
272 Q B -1.4893
273 A B 0.0000
274 G B -1.1398
275 I B 0.0000
276 P B -0.5124
277 L B -0.2383
278 A B -0.3840
279 R B -0.7867
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 0.4606
306 G B -0.5536
307 F B 0.0000
308 E B -2.5068
309 T B -1.7468
310 L B 0.0000
311 L B -1.5359
312 E B -2.3268
313 T B 0.0000
314 V B 0.0000
315 Q B -1.7067
316 V B -1.4998
317 L B 0.0000
318 V B -1.6831
319 K B -2.7198
320 D B -2.6882
321 Y B -1.7918
322 D B -2.2506
323 F B -1.1720
324 S B -1.2287
325 I B -1.0405
326 S B -1.7128
327 D B -1.8484
328 A B 0.0000
329 L B 0.0000
330 R B -1.1437
331 P B 0.0000
332 L B 0.0000
333 T B 0.0000
334 S B -0.8462
335 S B 0.0000
336 V B 0.0000
337 A B 0.0000
338 G B -1.0062
339 F B -0.6082
340 L B 0.0000
341 N B -1.5231
342 L B 0.0000
343 T B -0.7926
344 G B -0.7100
345 K B 0.0000
346 G B 0.0000
347 E B -1.1610
348 I B 0.0000
349 L B 0.6091
350 P B 0.2610
351 G B -0.4339
352 N B -0.6567
353 D B -1.1172
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 -2.9683
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 -1.7453
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 -0.2313
17 L A 0.0000
18 Y A 0.0000
19 A A 0.0000
20 P A 0.0000
21 E A -3.2141
22 D A -2.8463
23 R A -1.5039
24 G A -0.2220
25 I A 1.0542
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 -1.3533
35 I A 0.0000
36 I A 0.5295
37 A A 0.5515
38 V A 0.4459
39 A A 0.0370
40 S A -0.4296
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 -1.3023
116 L A 0.0000
117 L A -0.9488
118 A A -0.7969
119 K A -1.1766
120 T A 0.0000
121 R A -1.3252
122 A A -1.1580
123 L A 0.0000
124 N A -1.4873
125 E A -2.2984
126 E A -1.6543
127 G A -1.5542
128 I A 0.0000
129 S A 0.0000
130 A A 0.0000
131 W A -0.2887
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 -0.6123
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 -1.7370
167 D A -1.7444
168 H A -1.6428
169 R A -1.2326
170 S A -0.6671
171 A A -0.5303
172 A A -0.5967
173 P A -0.5857
174 D A -0.9899
175 V A -0.3852
176 Y A 0.3874
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 -2.9735
205 S A -2.6871
206 K A -3.2026
207 K A -3.1199
208 A A 0.0000
209 L A 0.0000
210 Q A -1.5727
211 P A -1.0637
212 I A 0.0000
213 Y A -0.6845
214 D A -1.3248
215 L A 0.0000
216 L A -1.2636
217 E A -2.5747
218 N A -2.1512
219 C A -1.6699
220 D A -2.1911
221 V A 0.0000
222 P A -0.5956
223 I A 0.0818
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 -1.7395
234 N A -1.1675
235 V A 0.1807
236 P A -0.5291
237 L A 0.0000
238 F A 0.0000
239 Y A 0.8187 mutated: EA239Y
240 Q A 0.1847
241 A A 0.0000
242 L A 0.0000
243 Y A 0.6860 mutated: EA243Y
244 F A 0.0000
245 A A 0.0000
246 R A -1.0650
247 Y A 0.6275 mutated: KA247Y
248 G A -0.0107
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 -2.9302
260 P A -1.8157
261 V A -1.5747
262 A A -1.7725
263 P A 0.0000
264 A A 0.0000
265 E A -1.8164
266 G A 0.0000
267 I A 0.0000
268 A A 0.0000
269 R A -1.4789
270 A A 0.0000
271 V A -0.2910
272 Q A -1.3086
273 A A -0.8708
274 G A -1.0206
275 I A 0.0000
276 P A -0.4517
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 -1.0988
325 I A -0.9891
326 S A 0.0000
327 D A -1.6689
328 A A 0.0000
329 L A 0.0000
330 R A -1.4582
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 -0.7955
345 K A 0.0000
346 G A -0.7741
347 E A -1.3690
348 I A 0.0000
349 L A 0.5208
350 P A 0.1769
351 G A -0.4195
352 N A -0.7438
353 D A -1.3008
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 -1.8347
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 -1.1864
386 T A -0.0419
387 F A 0.7583
388 E A -1.2743

 

Laboratory of Theory of Biopolymers 2015