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

Status: done

submitted: 2017-09-13 16:10:08, status changed: 2017-09-13 16:26:32
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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
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