Project name: 1PKX

Status: done

submitted: 2018-02-20 14:16:53, status changed: 2018-02-20 15:27:27
Settings
Chain sequence(s) A: PGQLALFSVSDKTGLVEFARNLTALGLNLVASGGTAKALRDAGLAVRDVSELTGFPEMLGGRVKTLHPAVHAGILARNIPEDNADMARLDFNLIRVVACNLYPFVKTVASPGVTVEEAVEQIDIGGVTLLRAAAKNHARVTVVCEPEDYVVVSTEMQSSESKDTSLETRRQLALKAFTHTAQYDEAISDYFRKQYSKGVSQMPLRYGMNPHQTPAQLYTLQPKLPITVLNGAPGFINLCDALNAWQLVKELKEALGIPAAASFKHVSPAGAAVGIPLSEDEAKVCMVYDLYKTLTPISAAYARARGADRMSSFGDFVALSDVCDVPTAKIISREVSDGIIAPGYEEEALTILSKKKNGNYCVLQMDQSYKPDENEVRTLFGLHLSQKRNNGVVDKSLFSNVVTKNKDLPESALRDLIVATIAVKYTQSNSVCYAKNGQVIGIGAGQQSRIHCTRLAGDKANYWWLRHHPQVLSMKFKTGVAEISNAIDQYVTGTIGEDEDLIKWKALFEEVPELLTEAEKKEWVEKLTEVSISSDAFFPFRDNVDRAKRSGVAYIAAPSGSAADKVVIEACDELGIILAHTNLRLFHH
C: GQLALFSVSDKTGLVEFARNLTALGLNLVASGGTAKALRDAGLAVRDVSELTGFPEMLGGRVKTLHPAVHAGILARNIPEDNADMARLDFNLIRVVACNLYPFVKTVASPGVTVEEAVEQIDIGGVTLLRAAAKNHARVTVVCEPEDYVVVSTEMQSSESKDTSLETRRQLALKAFTHTAQYDEAISDYFRKQYSKGVSQMPLRYGMNPHQTPAQLYTLQPKLPITVLNGAPGFINLCDALNAWQLVKELKEALGIPAAASFKHVSPAGAAVGIPLSEDEAKVCMVYDLYKTLTPISAAYARARGADRMSSFGDFVALSDVCDVPTAKIISREVSDGIIAPGYEEEALTILSKKKNGNYCVLQMDQSYKPDENEVRTLFGLHLSQKRNNGVVDKSLFSNVVTKNKDLPESALRDLIVATIAVKYTQSNSVCYAKNGQVIGIGAGQQSRIHCTRLAGDKANYWWLRHHPQVLSMKFKTKRAEISNAIDQYVTGTIGEDEDLIKWKALFEEVPELLTEAEKKEWVEKLTEVSISSDAFFPFRDNVDRAKRSGVAYIAAPSGSAADKVVIEACDELGIILAHTNLRLFHH
B: GQLALFSVSDKTGLVEFARNLTALGLNLVASGGTAKALRDAGLAVRDVSELTGFPEMLGGRVKTLHPAVHAGILARNIPEDNADMARLDFNLIRVVACNLYPFVKTVASPGVTVEEAVEQIDIGGVTLLRAAAKNHARVTVVCEPEDYVVVSTEMQSSESKDTSLETRRQLALKAFTHTAQYDEAISDYFRKQYSKGVSQMPLRYGMNPHQTPAQLYTLQPKLPITVLNGAPGFINLCDALNAWQLVKELKEALGIPAAASFKHVSPAGAAVGIPLSEDEAKVCMVYDLYKTLTPISAAYARARGADRMSSFGDFVALSDVCDVPTAKIISREVSDGIIAPGYEEEALTILSKKKNGNYCVLQMDQSYKPDENEVRTLFGLHLSQKRNNGVVDKSLFSNVVTKNKDLPESALRDLIVATIAVKYTQSNSVCYAKNGQVIGIGAGQQSRIHCTRLAGDKANYWWLRHHPQVLSMKFKTGVKRAEISNAIDQYVTGTIGEDEDLIKWKALFEEVPELLTEAEKKEWVEKLTEVSISSDAFFPFRDNVDRAKRSGVAYIAAPSGSAADKVVIEACDELGIILAHTNLRLFHH
D: GQLALFSVSDKTGLVEFARNLTALGLNLVASGGTAKALRDAGLAVRDVSELTGFPEMLGGRVKTLHPAVHAGILARNIPEDNADMARLDFNLIRVVACNLYPFVKTVASPGVTVEEAVEQIDIGGVTLLRAAAKNHARVTVVCEPEDYVVVSTEMQSSESKDTSLETRRQLALKAFTHTAQYDEAISDYFRKQYSKGVSQMPLRYGMNPHQTPAQLYTLQPKLPITVLNGAPGFINLCDALNAWQLVKELKEALGIPAAASFKHVSPAGAAVGIPLSEDEAKVCMVYDLYKTLTPISAAYARARGADRMSSFGDFVALSDVCDVPTAKIISREVSDGIIAPGYEEEALTILSKKKNGNYCVLQMDQSYKPDENEVRTLFGLHLSQKRNNGVVDKSLFSNVVTKNKDLPESALRDLIVATIAVKYTQSNSVCYAKNGQVIGIGAGQQSRIHCTRLAGDKANYWWLRHHPQVLSMKFKTGVKRAEISNAIDQYVTGTIGEDEDLIKWKALFEEVPELLTEAEKKEWVEKLTEVSISSDAFFPFRDNVDRAKRSGVAYIAAPSGSAADKVVIEACDELGIILAHTNLRLFHH
Distance of aggregation 10 Å
Dynamic mode No
Show buried residues

Minimal score value
-4.3186
Maximal score value
2.136
Average score
-0.7066
Total score value
-1662.7077

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
3 P A -0.6635
4 G A -0.9306
5 Q A -1.0514
6 L A 0.0000
7 A A 0.0000
8 L A 0.0000
9 F A 0.0000
10 S A -0.4643
11 V A 0.0000
12 S A -0.8062
13 D A -1.4938
14 K A -1.2261
15 T A -1.3363
16 G A -1.1128
17 L A 0.0000
18 V A -1.1842
19 E A -1.9845
20 F A 0.0000
21 A A 0.0000
22 R A -2.3493
23 N A -1.3329
24 L A 0.0000
25 T A -1.2503
26 A A -0.7959
27 L A -0.8961
28 G A -0.9327
29 L A 0.0000
30 N A -1.7218
31 L A 0.0000
32 V A 0.0000
33 A A 0.0000
34 S A 0.0000
35 G A -1.3230
36 G A -1.1874
37 T A 0.0000
38 A A 0.0000
39 K A -2.7450
40 A A -1.8295
41 L A 0.0000
42 R A -2.5746
43 D A -2.6898
44 A A -1.7839
45 G A -1.5129
46 L A -1.2201
47 A A -1.0944
48 V A 0.0000
49 R A -2.5888
50 D A -2.1237
51 V A 0.0000
52 S A -1.5159
53 E A -2.0821
54 L A -0.9700
55 T A -0.5320
56 G A -0.8985
57 F A -0.5444
58 P A -1.0484
59 E A -1.4071
60 M A 0.0000
61 L A 0.0000
62 G A -1.2208
63 G A -0.8569
64 R A 0.0000
65 V A 0.0000
66 K A -0.9206
67 T A 0.0000
68 L A 0.0000
69 H A 0.0000
70 P A 0.0000
71 A A 0.0000
72 V A 0.0000
73 H A 0.0000
74 A A 0.0000
75 G A 0.0000
76 I A 0.0000
77 L A 0.0000
78 A A 0.0000
79 R A -1.3899
80 N A -1.6189
81 I A -0.6664
82 P A -1.3367
83 E A -2.2954
84 D A 0.0000
85 N A -2.0137
86 A A -1.8530
87 D A -2.1159
88 M A 0.0000
89 A A -1.9591
90 R A -2.4408
91 L A -1.7660
92 D A -2.1780
93 F A -1.0277
94 N A -0.7953
95 L A -0.6316
96 I A 0.0000
97 R A -0.5537
98 V A 0.0000
99 V A 0.0000
100 A A 0.0000
101 C A 0.0000
102 N A -0.9664
103 L A 0.0000
104 Y A -0.1481
105 P A -0.1823
106 F A 0.0000
107 V A 0.9750
108 K A -0.7607
109 T A -0.5106
110 V A 0.1990
111 A A 0.0189
112 S A -0.2456
113 P A -0.3273
114 G A -0.3309
115 V A -0.4217
116 T A -0.8604
117 V A -1.0855
118 E A -2.5512
119 E A -2.5163
120 A A 0.0000
121 V A -1.3271
122 E A -1.9009
123 Q A -1.1398
124 I A 0.0000
125 D A 0.0000
126 I A 0.0000
127 G A -0.1726
128 G A -0.1416
129 V A 0.0000
130 T A 0.0000
131 L A 0.0000
132 L A 0.0000
133 R A 0.0000
134 A A 0.0000
135 A A 0.0000
136 A A 0.0000
137 K A -1.0315
138 N A 0.0000
139 H A 0.0000
140 A A -0.6331
141 R A -0.5850
142 V A 0.0000
143 T A 0.0000
144 V A 0.0000
145 V A 0.0000
146 C A -1.3595
147 E A -2.6943
148 P A -1.7526
149 E A -1.8672
150 D A -0.5628
151 Y A 0.0000
152 V A 1.7890
153 V A 2.1360
154 V A 0.0000
155 S A 0.0000
156 T A 0.4713
157 E A -0.4024
158 M A 0.0000
159 Q A -1.5822
160 S A -1.4017
161 S A -1.8114
162 E A -2.4803
163 S A -1.8287
164 K A -2.0714
165 D A -1.4041
166 T A 0.0000
167 S A -0.7495
168 L A -0.5811
169 E A -1.7765
170 T A -0.8663
171 R A 0.0000
172 R A -1.2534
173 Q A -1.0265
174 L A 0.0000
175 A A 0.0000
176 L A 0.0000
177 K A -0.8017
178 A A 0.0000
179 F A 0.0000
180 T A 0.0000
181 H A -1.0473
182 T A 0.0000
183 A A 0.0000
184 Q A -1.5440
185 Y A 0.0000
186 D A 0.0000
187 E A -2.5983
188 A A -0.6615
189 I A 0.0000
190 S A 0.0000
191 D A -1.0126
192 Y A -0.4394
193 F A 0.0000
194 R A 0.0000
195 K A -1.8735
196 Q A -1.5413
197 Y A -1.2597
198 S A 0.0000
199 K A -2.0154
200 G A -0.9405
201 V A -0.2261
202 S A 0.0000
203 Q A 0.0000
204 M A -0.5752
205 P A -1.1656
206 L A 0.0000
207 R A -1.7507
208 Y A -0.7166
209 G A 0.0000
210 M A 0.0000
211 N A 0.0000
212 P A -0.7438
213 H A -0.8883
214 Q A 0.0000
215 T A -0.8366
216 P A -0.9059
217 A A 0.0000
218 Q A -0.5884
219 L A 0.0000
220 Y A -0.3883
221 T A 0.0000
222 L A -0.2488
223 Q A -0.7555
224 P A -0.9475
225 K A -1.2075
226 L A 0.0000
227 P A 0.0000
228 I A 0.0000
229 T A 0.0745
230 V A 0.7295
231 L A 0.7770
232 N A -0.3613
233 G A -0.9612
234 A A -0.4218
235 P A 0.0000
236 G A -0.4672
237 F A 0.0000
238 I A 0.1320
239 N A -0.2427
240 L A 0.0000
241 C A 0.0000
242 D A 0.0000
243 A A 0.0000
244 L A 0.0000
245 N A 0.0000
246 A A 0.0000
247 W A 0.0000
248 Q A 0.0000
249 L A 0.0000
250 V A 0.0000
251 K A -1.4233
252 E A -1.2646
253 L A 0.0000
254 K A -1.8117
255 E A -2.4583
256 A A -1.4902
257 L A -1.0910
258 G A -1.0433
259 I A -0.3920
260 P A -0.3359
261 A A 0.0000
262 A A 0.0000
263 A A 0.0000
264 S A 0.0000
265 F A 0.0000
266 K A -0.0563
267 H A -0.1968
268 V A 0.0000
269 S A 0.0000
270 P A 0.0000
271 A A 0.0000
272 G A 0.0000
273 A A 0.0000
274 A A 0.0000
275 V A 0.0000
276 G A 0.0000
277 I A 0.1592
278 P A -0.3161
279 L A 0.0000
280 S A -1.4309
281 E A -2.6083
282 D A -2.7248
283 E A -1.7040
284 A A 0.0000
285 K A -1.7929
286 V A 0.0000
287 C A 0.0000
288 M A -0.3488
289 V A 0.0000
290 Y A -1.1342
291 D A -1.7834
292 L A -0.8098
293 Y A -1.0515
294 K A -1.6393
295 T A -0.7077
296 L A -0.1280
297 T A -0.2194
298 P A -0.1881
299 I A 0.0000
300 S A 0.0000
301 A A 0.0000
302 A A 0.0000
303 Y A 0.0000
304 A A 0.0000
305 R A 0.0000
306 A A 0.0000
307 R A 0.0000
308 G A 0.0000
309 A A 0.0000
310 D A -0.0982
311 R A 0.0978
312 M A 0.3261
313 S A 0.0000
314 S A 0.0000
315 F A 1.9420
316 G A 0.8312
317 D A 0.0000
318 F A 0.0000
319 V A 0.0000
320 A A 0.0000
321 L A 0.0000
322 S A 0.0000
323 D A 0.1692
324 V A 1.3192
325 C A 0.0000
326 D A -0.4532
327 V A -0.3951
328 P A -0.0866
329 T A 0.0000
330 A A 0.0000
331 K A -0.9706
332 I A 0.0000
333 I A 0.0000
334 S A -1.2184
335 R A -1.3800
336 E A -0.2340
337 V A 0.7971
338 S A 0.0000
339 D A -0.6219
340 G A 0.0000
341 I A 0.0000
342 I A 0.0000
343 A A 0.0000
344 P A -0.3854
345 G A 0.0000
346 Y A -0.3078
347 E A -1.5374
348 E A -2.5922
349 E A -2.1435
350 A A 0.0000
351 L A -0.8512
352 T A -1.2559
353 I A -1.0067
354 L A 0.0000
355 S A -1.4690
356 K A -2.3751
357 K A -2.4483
358 K A -2.8527
359 N A -2.8913
360 G A -2.6280
361 N A -2.7805
362 Y A 0.0000
363 C A 0.0000
364 V A 0.0000
365 L A 0.0000
366 Q A -0.3321
367 M A 0.0000
368 D A -2.0346
369 Q A -2.2509
370 S A -1.5537
371 Y A 0.0000
372 K A -2.7454
373 P A -2.3932
374 D A -3.5098
375 E A -3.8769
376 N A -2.7574
377 E A -1.6247
378 V A -0.2503
379 R A -0.2891
380 T A 0.0000
381 L A 0.0000
382 F A 0.0000
383 G A -1.3808
384 L A 0.0000
385 H A -0.0317
386 L A 0.0000
387 S A 0.0000
388 Q A 0.0000
389 K A -2.1864
390 R A 0.0000
391 N A -1.2687
392 N A -1.3554
393 G A -0.0258
394 V A 0.9906
395 V A 0.0000
396 D A -1.3441
397 K A -2.1534
398 S A -1.2341
399 L A -0.8154
400 F A 0.0000
401 S A -1.3812
402 N A -1.5366
403 V A -1.4318
404 V A -1.2178
405 T A 0.0000
406 K A -3.3226
407 N A -3.3519
408 K A -3.5819
409 D A -3.2170
410 L A -1.6791
411 P A -1.5870
412 E A -2.3745
413 S A -1.5935
414 A A 0.0000
415 L A -1.2487
416 R A -1.5060
417 D A 0.0000
418 L A 0.0000
419 I A 0.0000
420 V A 0.0000
421 A A 0.0000
422 T A 0.0000
423 I A 0.0000
424 A A 0.0000
425 V A 0.0000
426 K A 0.0000
427 Y A 0.0000
428 T A 0.0000
429 Q A 0.0000
430 S A 0.0000
431 N A 0.0000
432 S A 0.0000
433 V A 0.0000
434 C A 0.0000
435 Y A 0.0000
436 A A 0.0000
437 K A -1.0334
438 N A -1.0182
439 G A 0.0000
440 Q A 0.0000
441 V A 0.0000
442 I A 0.0000
443 G A 0.0000
444 I A 0.0000
445 G A 0.0000
446 A A 0.0000
447 G A 0.0000
448 Q A 0.0000
449 Q A 0.0000
450 S A 0.1372
451 R A -0.0276
452 I A -0.0170
453 H A -0.2052
454 C A 0.0000
455 T A 0.0000
456 R A -0.9681
457 L A -0.3986
458 A A 0.0000
459 G A 0.0000
460 D A -1.2348
461 K A -0.7193
462 A A 0.0000
463 N A -1.0356
464 Y A -0.1920
465 W A 0.0000
466 W A -0.1861
467 L A 0.0000
468 R A 0.0000
469 H A -0.6462
470 H A -0.5248
471 P A -0.6455
472 Q A -0.8291
473 V A 0.0000
474 L A -0.7876
475 S A -0.6718
476 M A -1.3307
477 K A -2.4174
478 F A -1.8217
479 K A -1.9399
480 T A -1.0018
481 G A -0.6466
482 V A -0.3289
485 A A -0.4806
486 E A -1.2981
487 I A -0.5194
488 S A -0.4109
489 N A -1.1571
490 A A 0.0000
491 I A -0.3638
492 D A -0.5338
493 Q A -0.7405
494 Y A 0.0000
495 V A 0.0000
496 T A -0.5134
497 G A -0.7885
498 T A -0.9121
499 I A 0.0000
500 G A -2.0413
501 E A -3.3297
502 D A -3.5539
503 E A -3.4229
504 D A -3.1621
505 L A -1.8192
506 I A -0.6685
507 K A -2.0621
508 W A 0.0000
509 K A -1.1802
510 A A -0.8035
511 L A -1.1309
512 F A 0.0000
513 E A -3.1496
514 E A -2.8265
515 V A -0.7668
516 P A -1.2994
517 E A -1.6607
518 L A -0.7531
519 L A 0.0000
520 T A -1.8964
521 E A -2.8916
522 A A -2.3913
523 E A -2.7850
524 K A -2.8728
525 K A -4.3019
526 E A -4.1415
527 W A -2.6757
528 V A 0.0000
529 E A -4.2003
530 K A -3.3624
531 L A 0.0000
532 T A -2.0632
533 E A -2.1793
534 V A 0.0000
535 S A 0.0000
536 I A 0.0000
537 S A 0.0000
538 S A 0.0000
539 D A 0.0000
540 A A 0.0000
541 F A 0.3174
542 F A 0.0000
543 P A 0.5911
544 F A 1.1386
545 R A -0.2855
546 D A -0.8328
547 N A 0.0000
548 V A 0.0000
549 D A -1.3811
550 R A -1.8240
551 A A 0.0000
552 K A -2.3002
553 R A -3.3145
554 S A 0.0000
555 G A -2.1895
556 V A 0.0000
557 A A -0.8380
558 Y A 0.0000
559 I A 0.0000
560 A A 0.0000
561 A A 0.0000
562 P A 0.0000
563 S A -0.7442
564 G A -0.6984
565 S A -0.2076
566 A A -0.2133
567 A A -0.2242
568 D A -0.8377
569 K A -1.6493
570 V A -0.4998
571 V A 0.0000
572 I A -1.5174
573 E A -2.6895
574 A A 0.0000
575 C A 0.0000
576 D A -2.4269
577 E A -2.6558
578 L A -1.4281
579 G A -1.4702
580 I A 0.0000
581 I A 0.0000
582 L A 0.0000
583 A A 0.0000
584 H A 0.0000
585 T A -0.9632
586 N A -1.5925
587 L A 0.0000
588 R A -0.7959
589 L A 0.0000
590 F A 0.0000
591 H A -0.2821
592 H A -0.2668
4 G B -1.1185
5 Q B -1.2909
6 L B 0.0000
7 A B 0.0000
8 L B 0.0000
9 F B 0.0000
10 S B -0.5111
11 V B 0.0000
12 S B -0.6712
13 D B -1.8078
14 K B -1.5014
15 T B -1.5223
16 G B -1.2294
17 L B 0.0000
18 V B -1.4306
19 E B -2.1022
20 F B 0.0000
21 A B 0.0000
22 R B -2.6249
23 N B -1.6826
24 L B 0.0000
25 T B -1.2280
26 A B -0.8776
27 L B 0.0000
28 G B -1.1630
29 L B -1.0360
30 N B -1.2055
31 L B 0.0000
32 V B 0.0000
33 A B 0.0000
34 S B -1.1731
35 G B -1.2617
36 G B -1.6046
37 T B 0.0000
38 A B -2.1557
39 K B -3.2621
40 A B -2.2270
41 L B 0.0000
42 R B -3.5117
43 D B -3.2301
44 A B -1.9949
45 G B -1.9693
46 L B 0.0000
47 A B -1.1343
48 V B 0.0000
49 R B -1.8342
50 D B -1.9670
51 V B 0.0000
52 S B -1.8052
53 E B -2.2718
54 L B -1.2498
55 T B -0.7395
56 G B -1.2432
57 F B -0.8378
58 P B -1.2945
59 E B -2.2164
60 M B 0.0000
61 L B 0.0000
62 G B -1.4118
63 G B -1.3892
64 R B -1.3850
65 V B 0.0000
66 K B -1.2288
67 T B -0.3734
68 L B 0.0000
69 H B 0.0000
70 P B 0.0000
71 A B 0.0000
72 V B 0.0000
73 H B 0.0000
74 A B 0.0000
75 G B 0.0000
76 I B 0.0000
77 L B 0.0000
78 A B 0.0000
79 R B -1.3466
80 N B -1.7088
81 I B -1.0660
82 P B -1.6422
83 E B -2.5449
84 D B 0.0000
85 N B -2.4308
86 A B -2.0430
87 D B -2.2921
88 M B 0.0000
89 A B -1.9626
90 R B -2.5494
91 L B -1.5856
92 D B -2.2677
93 F B -1.2661
94 N B -1.0366
95 L B -0.8011
96 I B 0.0000
97 R B -0.6343
98 V B 0.0000
99 V B 0.0000
100 A B 0.0000
101 C B 0.0000
102 N B 0.0000
103 L B 0.0000
104 Y B 0.7224
105 P B 0.4027
106 F B 0.0000
107 V B 1.4141
108 K B -0.2198
109 T B 0.0000
110 V B 0.4909
111 A B 0.1786
112 S B -0.1348
113 P B -0.2884
114 G B -0.4190
115 V B -0.2932
116 T B -0.9049
117 V B -1.0743
118 E B -2.7774
119 E B -2.7041
120 A B 0.0000
121 V B 0.0000
122 E B -3.2574
123 Q B -2.3176
124 I B 0.0000
125 D B -0.9945
126 I B 0.0000
127 G B -0.4556
128 G B -0.1155
129 V B 0.0000
130 T B 0.0000
131 L B 0.0000
132 L B 0.0000
133 R B 0.0000
134 A B 0.0000
135 A B 0.0000
136 A B 0.0000
137 K B 0.0000
138 N B 0.0000
139 H B 0.0000
140 A B -0.3754
141 R B 0.0000
142 V B 0.0000
143 T B 0.0000
144 V B 0.0000
145 V B 0.0000
146 C B 0.0000
147 E B -2.3981
148 P B -1.6516
149 E B -1.7634
150 D B -0.4488
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Laboratory of Theory of Biopolymers 2015