Project name: 3N75 [mutate: DA460L, DB460L, DC460L, DD460L, DE460L]

Status: done

submitted: 2017-09-13 11:29:39, status changed: 2017-09-13 13:49:40
Settings
Chain sequence(s) A: MNVIAILNHMGVYFKEEPIRELHRALERLNFQIVYPNDRDDLLKLIENNARLCGVIFDWDKYNLELCEEISKMNENLPLYAFANTYSTLDVSLNDLRLQISFFEYALGAAEDIANKIKQTTDEYINTILPPLTKALFKYVREGKYTFCTPGHMGGTAFQKSPVGSLFYDFFGPNTMKSDISISVSELGSLLDHSGPHKEAEQYIARVFNADRSYMVTNGTSTANKIVGMYSAPAGSTILIDRNCHKSLTHLMMMSDVTPIYFRPTRNAYGILGGIPQSEFQHATIAKRVKETPNATWPVHAVITNSTYDGLLYNTDFIKKTLDVKSIHFDSAWVPYTNFSPIYEGKCGMSGGRVEGKVIYETQSTHLLAAFSQASMIHVKGDVNEETFNEAYMMHTTTSPHYGIVASTETAAAMMKGNAGKRLINGSIERAIKFRKEIKRLRTESDGWFFDVWQPDHIDTTECWPLRSDSTWHGFKNIDNEHMYLDPIKVTLLTPGMEKDGTMSDFGIPASIVAKYLDEHGIVVEKTGPYNLLFLFSIGIDKTKALSLLRALTDFKRAFDLNLRVKNMLPSLYREDPEFYENMRIQELAQNIHKLIVHHNLPDLMYRAFEVLPTMVMTPYAAFQKELHGMTEEVYLDEMVGRINANMILPYPPGVPLVMPGEMITEESRPVLEFLQMLCEIGAHYPGFETDIHGAYRQADGRYTVKVLKE
C: MNVIAILNHMGVYFKEEPIRELHRALERLNFQIVYPNDRDDLLKLIENNARLCGVIFDWDKYNLELCEEISKMNENLPLYAFANTYSTLDVSLNDLRLQISFFEYALGAAEDIANKIKQTTDEYINTILPPLTKALFKYVREGKYTFCTPGHMGGTAFQKSPVGSLFYDFFGPNTMKSDISISVSELGSLLDHSGPHKEAEQYIARVFNADRSYMVTNGTSTANKIVGMYSAPAGSTILIDRNCHKSLTHLMMMSDVTPIYFRPTRNAYGILGGIPQSEFQHATIAKRVKETPNATWPVHAVITNSTYDGLLYNTDFIKKTLDVKSIHFDSAWVPYTNFSPIYEGKCGMSGGRVEGKVIYETQSTHLLAAFSQASMIHVKGDVNEETFNEAYMMHTTTSPHYGIVASTETAAAMMKGNAGKRLINGSIERAIKFRKEIKRLRTESDGWFFDVWQPDHIDTTECWPLRSDSTWHGFKNIDNEHMYLDPIKVTLLTPGMEKDGTMSDFGIPASIVAKYLDEHGIVVEKTGPYNLLFLFSIGIDKTKALSLLRALTDFKRAFDLNLRVKNMLPSLYREDPEFYENMRIQELAQNIHKLIVHHNLPDLMYRAFEVLPTMVMTPYAAFQKELHGMTEEVYLDEMVGRINANMILPYPPGVPLVMPGEMITEESRPVLEFLQMLCEIGAHYPGFETDIHGAYRQADGRYTVKVLKE
B: MNVIAILNHMGVYFKEEPIRELHRALERLNFQIVYPNDRDDLLKLIENNARLCGVIFDWDKYNLELCEEISKMNENLPLYAFANTYSTLDVSLNDLRLQISFFEYALGAAEDIANKIKQTTDEYINTILPPLTKALFKYVREGKYTFCTPGHMGGTAFQKSPVGSLFYDFFGPNTMKSDISISVSELGSLLDHSGPHKEAEQYIARVFNADRSYMVTNGTSTANKIVGMYSAPAGSTILIDRNCHKSLTHLMMMSDVTPIYFRPTRNAYGILGGIPQSEFQHATIAKRVKETPNATWPVHAVITNSTYDGLLYNTDFIKKTLDVKSIHFDSAWVPYTNFSPIYEGKCGMSGGRVEGKVIYETQSTHLLAAFSQASMIHVKGDVNEETFNEAYMMHTTTSPHYGIVASTETAAAMMKGNAGKRLINGSIERAIKFRKEIKRLRTESDGWFFDVWQPDHIDTTECWPLRSDSTWHGFKNIDNEHMYLDPIKVTLLTPGMEKDGTMSDFGIPASIVAKYLDEHGIVVEKTGPYNLLFLFSIGIDKTKALSLLRALTDFKRAFDLNLRVKNMLPSLYREDPEFYENMRIQELAQNIHKLIVHHNLPDLMYRAFEVLPTMVMTPYAAFQKELHGMTEEVYLDEMVGRINANMILPYPPGVPLVMPGEMITEESRPVLEFLQMLCEIGAHYPGFETDIHGAYRQADGRYTVKVLKE
E: MNVIAILNHMGVYFKEEPIRELHRALERLNFQIVYPNDRDDLLKLIENNARLCGVIFDWDKYNLELCEEISKMNENLPLYAFANTYSTLDVSLNDLRLQISFFEYALGAAEDIANKIKQTTDEYINTILPPLTKALFKYVREGKYTFCTPGHMGGTAFQKSPVGSLFYDFFGPNTMKSDISISVSELGSLLDHSGPHKEAEQYIARVFNADRSYMVTNGTSTANKIVGMYSAPAGSTILIDRNCHKSLTHLMMMSDVTPIYFRPTRNAYGILGGIPQSEFQHATIAKRVKETPNATWPVHAVITNSTYDGLLYNTDFIKKTLDVKSIHFDSAWVPYTNFSPIYEGKCGMSGGRVEGKVIYETQSTHLLAAFSQASMIHVKGDVNEETFNEAYMMHTTTSPHYGIVASTETAAAMMKGNAGKRLINGSIERAIKFRKEIKRLRTESDGWFFDVWQPDHIDTTECWPLRSDSTWHGFKNIDNEHMYLDPIKVTLLTPGMEKDGTMSDFGIPASIVAKYLDEHGIVVEKTGPYNLLFLFSIGIDKTKALSLLRALTDFKRAFDLNLRVKNMLPSLYREDPEFYENMRIQELAQNIHKLIVHHNLPDLMYRAFEVLPTMVMTPYAAFQKELHGMTEEVYLDEMVGRINANMILPYPPGVPLVMPGEMITEESRPVLEFLQMLCEIGAHYPGFETDIHGAYRQADGRYTVKVLKE
D: MNVIAILNHMGVYFKEEPIRELHRALERLNFQIVYPNDRDDLLKLIENNARLCGVIFDWDKYNLELCEEISKMNENLPLYAFANTYSTLDVSLNDLRLQISFFEYALGAAEDIANKIKQTTDEYINTILPPLTKALFKYVREGKYTFCTPGHMGGTAFQKSPVGSLFYDFFGPNTMKSDISISVSELGSLLDHSGPHKEAEQYIARVFNADRSYMVTNGTSTANKIVGMYSAPAGSTILIDRNCHKSLTHLMMMSDVTPIYFRPTRNAYGILGGIPQSEFQHATIAKRVKETPNATWPVHAVITNSTYDGLLYNTDFIKKTLDVKSIHFDSAWVPYTNFSPIYEGKCGMSGGRVEGKVIYETQSTHLLAAFSQASMIHVKGDVNEETFNEAYMMHTTTSPHYGIVASTETAAAMMKGNAGKRLINGSIERAIKFRKEIKRLRTESDGWFFDVWQPDHIDTTECWPLRSDSTWHGFKNIDNEHMYLDPIKVTLLTPGMEKDGTMSDFGIPASIVAKYLDEHGIVVEKTGPYNLLFLFSIGIDKTKALSLLRALTDFKRAFDLNLRVKNMLPSLYREDPEFYENMRIQELAQNIHKLIVHHNLPDLMYRAFEVLPTMVMTPYAAFQKELHGMTEEVYLDEMVGRINANMILPYPPGVPLVMPGEMITEESRPVLEFLQMLCEIGAHYPGFETDIHGAYRQADGRYTVKVLKE
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA460L, DB460L, DC460L, DD460L, DE460L
Energy difference between WT (input) and mutated protein (by FoldX) 0.702125 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
-4.078
Maximal score value
2.8343
Average score
-0.7301
Total score value
-2591.7659

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 A -0.3261
2 N A -1.1387
3 V A 0.0000
4 I A 0.0000
5 A A 0.0000
6 I A 0.0000
7 L A 0.0000
8 N A -1.3066
9 H A -1.4140
10 M A -0.6006
11 G A -0.6337
12 V A -0.6902
13 Y A -0.5278
14 F A 0.0000
15 K A 0.0000
16 E A -0.6554
17 E A -0.5920
18 P A 0.0000
19 I A -0.6954
20 R A -1.4210
21 E A -1.6176
22 L A 0.0000
23 H A -1.9910
24 R A -3.1509
25 A A 0.0000
26 L A 0.0000
27 E A -3.7431
28 R A -3.6233
29 L A -2.6756
30 N A -2.8404
31 F A 0.0000
32 Q A -1.4388
33 I A -0.7193
34 V A 0.0000
35 Y A 0.0835
36 P A 0.0000
37 N A -2.1384
38 D A -2.4019
39 R A -2.4279
40 D A -2.5580
41 D A 0.0000
42 L A 0.0000
43 L A -1.5413
44 K A -1.7231
45 L A 0.0000
46 I A 0.0000
47 E A -1.7612
48 N A -1.4999
49 N A 0.0000
50 A A -0.6701
51 R A -0.8825
52 L A 0.0000
53 C A 0.0000
54 G A 0.0000
55 V A 0.0000
56 I A 0.0000
57 F A 0.0000
58 D A 0.0000
59 W A 0.0000
60 D A -1.0630
61 K A -1.5101
62 Y A 0.0000
63 N A 0.0000
64 L A -0.4410
65 E A -1.9570
66 L A 0.0000
67 C A 0.0000
68 E A -2.1975
69 E A -2.0819
70 I A 0.0000
71 S A -2.1635
72 K A -2.7764
73 M A 0.0000
74 N A -1.7206
75 E A -1.7062
76 N A -0.8200
77 L A 0.0000
78 P A 0.0000
79 L A 0.0000
80 Y A 0.0000
81 A A 0.0000
82 F A 0.0000
83 A A 0.0000
84 N A -0.1929
85 T A 0.2101
86 Y A 0.9708
87 S A 0.0000
88 T A -0.0298
89 L A 0.0000
90 D A -0.5356
91 V A -0.7480
92 S A -0.6263
93 L A 0.0000
94 N A -1.6500
95 D A -2.4217
96 L A -2.3110
97 R A -2.8556
98 L A 0.0000
99 Q A -0.7593
100 I A -0.1440
101 S A -0.3496
102 F A 0.0000
103 F A 0.0000
104 E A -0.8198
105 Y A 0.0000
106 A A -0.7379
107 L A 0.0000
108 G A -1.2992
109 A A -1.4058
110 A A 0.0000
111 E A -3.7226
112 D A -3.6989
113 I A 0.0000
114 A A 0.0000
115 N A -3.8110
116 K A -3.8921
117 I A 0.0000
118 K A -3.7292
119 Q A -3.6566
120 T A -2.7570
121 T A 0.0000
122 D A -3.2685
123 E A -2.8823
124 Y A 0.0000
125 I A -0.5745
126 N A -0.8528
127 T A -0.3041
128 I A 0.6836
129 L A 0.7404
130 P A 0.0000
131 P A -0.7115
132 L A 0.0000
133 T A 0.0000
134 K A -0.0813
135 A A -0.5337
136 L A 0.0000
137 F A -0.4662
138 K A -1.3175
139 Y A -1.6564
140 V A 0.0000
141 R A -3.1497
142 E A -3.1334
143 G A -2.0627
144 K A -1.9195
145 Y A 0.5541
146 T A 0.9812
147 F A 2.1301
148 C A 1.3721
149 T A 0.4736
150 P A -0.2352
151 G A -0.1089
152 H A -0.3678
153 M A 0.3995
154 G A -0.7604
155 G A 0.0000
156 T A -0.6512
157 A A -0.6477
158 F A -0.0511
159 Q A -1.2456
160 K A -1.9004
161 S A -0.2891
162 P A 0.5360
163 V A 1.9647
164 G A 0.0000
165 S A 0.7672
166 L A 2.6177
167 F A 2.6713
168 Y A 1.3449
169 D A 0.5236
170 F A 2.4346
171 F A 1.8087
172 G A 0.2705
173 P A -0.9238
174 N A -1.6993
175 T A -0.5686
176 M A 0.0000
177 K A -1.5223
178 S A -1.1523
179 D A -1.0549
180 I A 0.0000
181 S A 0.5894
182 I A 1.6041
183 S A 0.8983
184 V A 0.0000
185 S A -0.5355
186 E A -1.5268
187 L A 0.0000
188 G A -1.1529
189 S A -0.7277
190 L A 0.0000
191 L A -0.7762
192 D A -2.0300
193 H A -1.9317
194 S A -2.0389
195 G A -2.0040
196 P A -1.9511
197 H A 0.0000
198 K A -3.2812
199 E A -3.0647
200 A A 0.0000
201 E A 0.0000
202 Q A -3.0464
203 Y A -2.0082
204 I A 0.0000
205 A A 0.0000
206 R A -2.6883
207 V A 0.0000
208 F A 0.0000
209 N A -1.6116
210 A A -1.9686
211 D A -2.4320
212 R A -2.9869
213 S A 0.0000
214 Y A 0.0000
215 M A 0.0000
216 V A 0.0000
217 T A 0.0000
218 N A -1.7047
219 G A -1.1951
220 T A 0.0000
221 S A -0.8031
222 T A 0.0000
223 A A 0.0000
224 N A 0.0000
225 K A 0.0178
226 I A 0.0000
227 V A 0.0000
228 G A 0.0000
229 M A 0.2523
230 Y A -0.1209
231 S A 0.0109
232 A A 0.0000
233 P A -0.4167
234 A A -0.6812
235 G A -0.9969
236 S A 0.0000
237 T A 0.0000
238 I A 0.0000
239 L A 0.0000
240 I A 0.0000
241 D A 0.0000
242 R A 0.0000
243 N A -0.6603
244 C A 0.0000
245 H A -1.3092
246 K A -1.0472
247 S A 0.0000
248 L A 0.0000
249 T A 0.0000
250 H A -0.3643
251 L A 0.0000
252 M A 0.0000
253 M A 0.2766
254 M A 0.4489
255 S A -0.2383
256 D A -0.9601
257 V A 0.0000
258 T A 0.0000
259 P A 0.0000
260 I A 0.0000
261 Y A 0.0000
262 F A 0.0000
263 R A -1.5842
264 P A 0.0000
265 T A -0.6403
266 R A 0.0000
267 N A 0.0000
268 A A -0.8975
269 Y A -0.0623
270 G A -0.1276
271 I A 0.0000
272 L A 0.0000
273 G A 0.0000
274 G A 0.0000
275 I A 0.0000
276 P A -0.9938
277 Q A -0.7210
278 S A -0.9629
279 E A -1.0018
280 F A 0.0000
281 Q A -1.6131
282 H A -1.7276
283 A A -1.0858
284 T A -1.1537
285 I A 0.0000
286 A A -1.7829
287 K A -2.9383
288 R A -2.1913
289 V A -2.0217
290 K A -3.3465
291 E A -3.3217
292 T A -2.0650
293 P A -1.4618
294 N A -1.8892
295 A A -1.3256
296 T A -0.5052
297 W A 0.0594
298 P A 0.0000
299 V A -0.2932
300 H A 0.0000
301 A A 0.0000
302 V A 0.0000
303 I A 0.0000
304 T A -0.1102
305 N A 0.0000
306 S A 0.0000
307 T A 0.0000
308 Y A 0.2739
309 D A 0.0000
310 G A 0.0000
311 L A 0.0000
312 L A 0.0000
313 Y A 0.0000
314 N A -1.5079
315 T A 0.0000
316 D A -2.4719
317 F A -1.4827
318 I A 0.0000
319 K A 0.0000
320 K A -2.4795
321 T A 0.0000
322 L A 0.0000
323 D A -2.1086
324 V A 0.0000
325 K A -2.2667
326 S A 0.0000
327 I A 0.0000
328 H A 0.0000
329 F A 0.0000
330 D A 0.0000
331 S A 0.0000
332 A A -0.0039
333 W A 0.3626
334 V A 0.0000
335 P A 0.0000
336 Y A 0.0000
337 T A 0.0000
338 N A -1.0708
339 F A 0.0000
340 S A 0.0000
341 P A -1.2002
342 I A -0.8882
343 Y A 0.0000
344 E A -2.3494
345 G A -1.7359
346 K A -1.3013
347 C A 0.0000
348 G A 0.0000
349 M A 0.0000
350 S A -1.6547
351 G A -1.7329
352 G A -1.7706
353 R A -2.6914
354 V A -2.4592
355 E A -3.0382
356 G A -2.3995
357 K A -2.2830
358 V A -1.4294
359 I A 0.0000
360 Y A 0.0000
361 E A 0.0000
362 T A 0.0000
363 Q A 0.0000
364 S A -0.2974
365 T A 0.0000
366 H A -0.3092
368 L A 0.0508
369 L A 0.0000
370 A A 0.2498
371 A A 0.5434
372 F A 1.4622
373 S A -0.0392
374 Q A -1.0638
375 A A 0.0000
376 S A 0.0000
377 M A 0.0000
378 I A 0.0000
379 H A 0.0000
380 V A 0.0000
381 K A 0.0000
382 G A 0.0000
383 D A -2.9724
384 V A -2.3343
385 N A -3.0400
386 E A -4.0780
387 E A -3.6374
388 T A -2.4609
389 F A 0.0000
390 N A -2.2662
391 E A -2.1001
392 A A 0.0000
393 Y A 0.0000
394 M A 0.1037
395 M A 0.6763
396 H A 0.0360
397 T A -0.0679
398 T A -0.1545
399 T A 0.1942
400 S A -0.0600
401 P A 0.0000
402 H A -0.9183
403 Y A 0.0000
404 G A 0.0936
405 I A 0.1188
406 V A 0.0000
407 A A 0.0000
408 S A 0.0000
409 T A 0.0000
410 E A 0.0000
411 T A 0.1007
412 A A 0.0000
413 A A 0.0000
414 A A 0.0969
415 M A 0.0581
416 M A 0.0000
417 K A -1.5490
418 G A -1.4992
419 N A -2.1355
420 A A -1.6145
421 G A 0.0000
422 K A -2.6465
423 R A -2.5771
424 L A -1.1189
425 I A 0.0000
426 N A -2.0214
427 G A -1.5945
428 S A 0.0000
429 I A 0.0000
430 E A -2.2800
431 R A -1.5849
432 A A 0.0000
433 I A 0.0000
434 K A -1.3461
435 F A 0.0000
436 R A 0.0000
437 K A -2.1166
438 E A 0.0000
439 I A 0.0000
440 K A -2.0328
441 R A -1.8740
442 L A 0.0000
443 R A -2.1535
444 T A -1.6921
445 E A -2.3097
446 S A -2.1381
447 D A -2.4316
448 G A -1.7230
449 W A -0.7544
450 F A 0.0000
451 F A 0.0000
452 D A -0.6201
453 V A 0.0000
454 W A 0.0000
455 Q A 0.0000
456 P A -1.2463
457 D A -2.1333
458 H A -1.6085
459 I A 0.0000
460 L A 0.6952 mutated: DA460L
461 T A 0.2832
462 T A -0.4725
463 E A -0.6234
464 C A 0.0000
465 W A 0.0000
466 P A -1.3500
467 L A 0.0000
468 R A -3.3693
469 S A -3.2232
470 D A -2.7592
471 S A -1.9936
472 T A -1.8398
473 W A -1.0778
474 H A 0.0000
475 G A -1.5430
476 F A 0.0000
477 K A -2.4975
478 N A -2.8666
479 I A -2.5142
480 D A -2.4961
481 N A -3.4059
482 E A -2.8989
483 H A 0.0000
484 M A 0.0000
485 Y A 0.0000
486 L A 0.0000
487 D A 0.0000
488 P A 0.0000
489 I A 0.0000
490 K A 0.0000
491 V A 0.0000
492 T A 0.0000
493 L A 0.0000
494 L A 0.0511
495 T A 0.0000
496 P A -0.2456
497 G A 0.0000
498 M A -1.4594
499 E A -3.3318
500 K A -3.4845
501 D A -3.3349
502 G A -2.4095
503 T A -1.9306
504 M A -1.1564
505 S A -1.2082
506 D A -1.6935
507 F A -0.2924
508 G A 0.0000
509 I A 0.0000
510 P A 0.0000
511 A A 0.0000
512 S A -0.1059
513 I A 0.0000
514 V A 0.0000
515 A A -0.5687
516 K A -1.0389
517 Y A 0.0000
518 L A 0.0000
519 D A -2.0023
520 E A -1.8391
521 H A -1.7855
522 G A -1.1784
523 I A -0.3696
524 V A 0.8527
525 V A 0.2045
526 E A -0.5092
527 K A -0.3473
528 T A -0.2504
529 G A 0.0527
530 P A 0.0000
531 Y A 0.0000
532 N A 0.0000
533 L A 0.0000
534 L A 0.0000
535 F A 0.0000
536 L A 0.1551
537 F A 0.0000
538 S A 0.1973
539 I A 0.2214
540 G A -0.2362
541 I A -0.2681
542 D A -1.0933
543 K A -0.9477
544 T A -1.0214
545 K A -1.3783
546 A A 0.0000
547 L A 0.0000
548 S A -0.5989
549 L A 0.0000
550 L A 0.0000
551 R A 0.0000
552 A A 0.0000
553 L A 0.0000
554 T A 0.0000
555 D A -0.9697
556 F A 0.0000
557 K A 0.0000
558 R A -1.2623
559 A A 0.0000
560 F A 0.0000
561 D A -0.9448
562 L A 0.3991
563 N A -0.5418
564 L A -0.6787
565 R A -2.0791
566 V A 0.0000
567 K A -2.4139
568 N A -2.0049
569 M A 0.0000
570 L A 0.0000
571 P A -1.7332
572 S A -1.9808
573 L A 0.0000
574 Y A -2.6032
575 R A -3.3528
576 E A -3.1958
577 D A -2.5510
578 P A -2.6124
579 E A -2.5073
580 F A -1.0719
581 Y A 0.0000
582 E A -2.4669
583 N A -2.1761
584 M A -1.7965
585 R A -2.1383
586 I A 0.0000
587 Q A -1.8041
588 E A -2.2734
589 L A 0.0000
590 A A 0.0000
591 Q A -2.1608
592 N A -1.6475
593 I A -0.8285
594 H A 0.0000
595 K A -1.2588
596 L A -0.8687
597 I A 0.0000
598 V A -0.7775
599 H A -1.0853
600 H A -1.2926
601 N A -1.5063
602 L A 0.0000
603 P A 0.0000
604 D A -2.2330
605 L A -1.5751
606 M A 0.0000
607 Y A -1.0107
608 R A -2.2340
609 A A 0.0000
610 F A -0.4044
611 E A -0.8186
612 V A -0.3786
613 L A 0.3022
614 P A 0.0000
615 T A 0.3590
616 M A 0.7980
617 V A 1.1535
618 M A 0.8168
619 T A 0.2795
620 P A 0.0000
621 Y A 0.0350
622 A A 0.0697
623 A A 0.0000
624 F A 0.1958
625 Q A -0.3517
626 K A -1.1322
627 E A -0.9510
628 L A 0.3774
629 H A -0.8893
630 G A -0.9906
631 M A -1.2377
632 T A -1.7670
633 E A -2.3845
634 E A -2.2919
635 V A -1.5647
636 Y A -1.6332
637 L A 0.0000
638 D A -2.7574
639 E A -2.4695
640 M A 0.0000
641 V A -1.0261
642 G A -0.6721
643 R A -0.7571
644 I A -0.0811
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