Project name: aggrescan

Status: done

Started: 2026-03-25 05:53:57
Settings
Chain sequence(s) A: MSPITREERLERRIQDLYANDPQFAAAKPATAITAAIERPGLPLPQIIESVMTGYADRPALAHRSVEFVTDAGTGHTTLRLLPHFETISYGELWDRISALADVLSAEQTVRPGDRVCLLGFNSVDYATIDMTLARLGAVAVPLQTSAAITQLRPIVAETQPTMIAASVDALDDATELALSGQTATRVLVFDHYRQVDAHRAAVESARERLAGSAVVETLAEAITRGDASRGASAGSAPGTDVSDESLALLIYTSGSTGAPKGAMYPRRNVATFWRKRTWFEGGYEPSITLNFMPMSHVMGRQILYGTLCNGGTAYFVAKSDLSTLFEDLALVRPTELTFVPRVWDMVFDEFQSEVDRRLVDGTDRVALEAQVKAEIRNDVIGGRYTSALTGSAPISDEMKAWVEELLDMHLVEGYGSTEAGMILIDGAIRRPAVLDYKLVDVPDLGYFLTDRPHPRGELLVKTDSLFPGYYQRAEVTADVFDADGFYRTGDIMAEVGPEQFVYLDRRNNVLKLSQGEFVTVSKLEAVFGDSPLVRQIYIYGNSARAYLLAVIVPTQEALDAVPVEELKARLGDSLQEVAKAAGLQSYEIPRDFIIETTPWTLENGLLTGIRKLARPQLKKHYGELLEQIYTDLAHGQANELRSLRQSGADAPVLVTVCRAAAALLGGSASDVQPDAHFTDLGGDSLSALSFTNLLHEIFDIEVPVGVIVSPANDLQALADYVEAARKPGSTRPTFASVHGASNEQVTQVHAGDLSLDKFIDAATLAEAPRLPAANAQVRTVLLTGATGFLGRYLALEWLERMDLVDGKLICLVRAKSDTEARARLDKTFDSGDPELLAHYRALATDHLEVLAGDKGEADLGLDRQTWQRLADTVDLIVDPAALVNHVLPYSQLFGPNALGTAELLRLALTSKIKPYSYTSTIGVADQIPPSAFTEDADIRVISATRAVDDSYANGYSNSKWAGEVLLREAHDLCGLPVAVFRCDMILADTTWAGQLNVPDMFTRMILSLAATGIAPGSFYELAADGARQRAHYDGLPVEFIAEAISTLGAQSQDGFHTYHVMNPYDDGIGLDEFVDWLNESGCPIQRIADYGDWLQRFETALRALPDRQRHSSLLPLLHNYRQPERPVRGSIAPTDRFRAAVQEAKIGPEKDIPHVGAPIIVKYVSDLRLLGLL
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:05)
Show buried residues

Minimal score value
-4.4772
Maximal score value
1.858
Average score
-0.7899
Total score value
-927.3175

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 0.9680
2 S A 0.3120
3 P A -0.1452
4 I A -0.5930
5 T A -1.9886
6 R A -3.5382
7 E A -4.0775
8 E A -3.5799
9 R A -3.5544
10 L A -3.5094
11 E A -4.4772
12 R A -4.3188
13 R A -3.0525
14 I A -2.4899
15 Q A -3.2431
16 D A -3.3432
17 L A -1.9347
18 Y A -1.3445
19 A A -1.3729
20 N A -1.9564
21 D A -1.2951
22 P A -0.7541
23 Q A -0.8050
24 F A 0.0000
25 A A -0.6378
26 A A -0.4383
27 A A 0.0000
28 K A -0.8187
29 P A 0.0000
30 A A -0.1246
31 T A -0.0073
32 A A 0.1152
33 I A 0.0766
34 T A 0.0000
35 A A -0.6026
36 A A -0.6494
37 I A 0.0000
38 E A -1.7105
39 R A -2.0856
40 P A -1.3369
41 G A -1.2102
42 L A -1.0269
43 P A -1.0844
44 L A 0.0000
45 P A 0.0000
46 Q A -0.9632
47 I A 0.0000
48 I A 0.0000
49 E A -1.1645
50 S A -0.6877
51 V A 0.0000
52 M A 0.0000
53 T A -0.6809
54 G A -0.7256
55 Y A 0.0000
56 A A -1.5214
57 D A -2.2541
58 R A -1.4037
59 P A -1.0647
60 A A 0.0000
61 L A 0.0000
62 A A 0.0000
63 H A -0.6754
64 R A 0.0000
65 S A 0.0000
66 V A -0.2313
67 E A -0.3060
68 F A 0.0401
69 V A -0.2182
70 T A -0.8861
71 D A -1.5854
72 A A -1.0112
73 G A -1.2477
74 T A -1.1951
75 G A -1.4788
76 H A -1.7472
77 T A -1.2924
78 T A -0.6495
79 L A -0.1490
80 R A -1.1632
81 L A -0.2692
82 L A -0.1935
83 P A -0.5480
84 H A -0.9578
85 F A -0.8454
86 E A -1.8433
87 T A -0.9915
88 I A -0.8569
89 S A -1.2829
90 Y A 0.0000
91 G A -1.7809
92 E A -2.4993
93 L A 0.0000
94 W A -1.2021
95 D A -2.0252
96 R A -1.5540
97 I A 0.0000
98 S A -1.2317
99 A A 0.0000
100 L A 0.0000
101 A A 0.0000
102 D A -1.3726
103 V A 0.0000
104 L A 0.0000
105 S A -1.3944
106 A A -1.1908
107 E A -1.8323
108 Q A -2.2006
109 T A -1.3839
110 V A 0.0000
111 R A -2.5024
112 P A -1.4752
113 G A -0.8854
114 D A 0.0000
115 R A -0.8734
116 V A 0.0000
117 C A 0.0000
118 L A 0.0000
119 L A 0.0000
120 G A 0.0000
121 F A -0.4339
122 N A 0.0000
123 S A 0.0000
124 V A 0.0143
125 D A -0.3118
126 Y A 0.0000
127 A A 0.0000
128 T A 0.0000
129 I A 0.0000
130 D A 0.0000
131 M A 0.0000
132 T A 0.0000
133 L A 0.0000
134 A A -0.1246
135 R A -0.4745
136 L A 0.0000
137 G A 0.0000
138 A A 0.0000
139 V A 0.0000
140 A A 0.0000
141 V A 0.0000
142 P A 0.0000
143 L A 0.0000
144 Q A -0.4114
145 T A -0.4301
146 S A -0.3262
147 A A -0.3634
148 A A -0.3358
149 I A -0.4744
150 T A -0.5070
151 Q A -1.0751
152 L A 0.0000
153 R A -0.8690
154 P A -0.6796
155 I A 0.0000
156 V A 0.0000
157 A A -0.6998
158 E A -0.7964
159 T A 0.0000
160 Q A -1.2209
161 P A 0.0000
162 T A -0.7618
163 M A 0.0000
164 I A 0.0000
165 A A 0.0000
166 A A 0.0000
167 S A -0.9684
168 V A 0.0000
169 D A -2.2739
170 A A -1.5715
171 L A 0.0000
172 D A -2.8570
173 D A -1.9837
174 A A 0.0000
175 T A 0.0000
176 E A -1.7844
177 L A 0.0000
178 A A 0.0000
179 L A -0.6178
180 S A -0.6927
181 G A -0.9821
182 Q A -1.3253
183 T A -0.8787
184 A A 0.0000
185 T A -0.2542
186 R A 0.0842
187 V A 0.0000
188 L A 0.0000
189 V A 0.0000
190 F A 0.0000
191 D A -0.8997
192 H A -1.2334
193 Y A -1.1166
194 R A -2.6075
195 Q A -2.0498
196 V A 0.0000
197 D A -1.4449
198 A A -1.2139
199 H A -1.7849
200 R A -2.1898
201 A A -1.4035
202 A A -1.8111
203 V A 0.0000
204 E A -3.0491
205 S A -2.6409
206 A A 0.0000
207 R A -2.4976
208 E A -3.3844
209 R A -3.1252
210 L A 0.0000
211 A A -1.3040
212 G A -0.8804
213 S A -0.6373
214 A A -0.2388
215 V A 0.5153
216 V A 0.0000
217 E A 0.0000
218 T A 0.0000
219 L A 0.0000
220 A A -0.5935
221 E A -0.8743
222 A A 0.0000
223 I A -0.9392
224 T A -1.1367
225 R A -1.5726
226 G A 0.0000
227 D A -2.7760
228 A A -1.4980
229 S A -1.6056
230 R A -2.2883
231 G A -1.3396
232 A A -0.7020
233 S A -0.8076
234 A A -0.5639
235 G A -0.6467
236 S A -0.6459
237 A A -0.5847
238 P A -0.8358
239 G A 0.0000
240 T A -1.1661
241 D A -1.9048
242 V A -1.2857
243 S A -1.6913
244 D A -2.3878
245 E A -2.4954
246 S A -1.3042
247 L A -0.5428
248 A A 0.0000
249 L A 0.0000
250 L A 0.0000
251 I A 0.0000
252 Y A 0.0000
253 T A -0.2861
254 S A -0.3372
255 G A -0.2096
256 S A -0.6556
257 T A -0.4777
258 G A -0.4524
259 A A -0.5079
260 P A -0.4632
261 K A 0.0000
262 G A 0.0000
263 A A 0.0000
264 M A 0.1277
265 Y A 0.0000
266 P A -1.0026
267 R A 0.0000
268 R A -1.8108
269 N A 0.0000
270 V A 0.0000
271 A A 0.0000
272 T A -0.6904
273 F A 0.0000
274 W A 0.0000
275 R A -1.4079
276 K A -1.6473
277 R A -0.9708
278 T A -1.1073
279 W A 0.0000
280 F A -0.7736
281 E A -1.9673
282 G A -1.6730
283 G A -1.0270
284 Y A -0.5942
285 E A -0.6487
286 P A 0.0000
287 S A 0.0000
288 I A 0.0000
289 T A 0.0000
290 L A 0.0000
291 N A 0.0000
292 F A 0.0000
293 M A 0.0000
294 P A -0.1042
295 M A 0.0000
296 S A -0.1491
297 H A -0.2062
298 V A 0.0976
299 M A 0.0934
300 G A 0.0000
301 R A 0.0000
302 Q A 0.0000
303 I A 0.0000
304 L A 0.0000
305 Y A 0.0000
306 G A 0.0000
307 T A 0.0000
308 L A 0.0000
309 C A 0.0000
310 N A 0.0000
311 G A 0.0000
312 G A 0.0000
313 T A 0.0000
314 A A 0.0000
315 Y A 0.0000
316 F A 0.0000
317 V A 0.0000
318 A A -0.7899
319 K A -1.4946
320 S A -1.4063
321 D A -2.0926
322 L A -1.1441
323 S A -1.0557
324 T A -0.9395
325 L A 0.0000
326 F A -0.4075
327 E A -1.3860
328 D A 0.0000
329 L A 0.0000
330 A A -1.0001
331 L A -0.2400
332 V A 0.0000
333 R A -1.3258
334 P A 0.0000
335 T A 0.0000
336 E A -0.3617
337 L A 0.0000
338 T A 0.0000
339 F A 0.0000
340 V A -0.4001
341 P A 0.0000
342 R A -1.7939
343 V A 0.0000
344 W A 0.0000
345 D A -2.3639
346 M A -1.5089
347 V A 0.0000
348 F A -1.3472
349 D A -2.3069
350 E A -1.4767
351 F A 0.0000
352 Q A -1.5816
353 S A -1.6155
354 E A -1.7823
355 V A 0.0000
356 D A -2.1033
357 R A -2.6115
358 R A -1.7926
359 L A -1.2885
360 V A -0.2315
361 D A -1.6476
362 G A -1.5461
363 T A -1.4460
364 D A -2.2579
365 R A -2.1597
366 V A 0.0567
367 A A -0.6293
368 L A -1.2223
369 E A -1.2547
370 A A -0.5732
371 Q A -1.2104
372 V A 0.0000
373 K A -1.3679
374 A A -1.4846
375 E A -1.9478
376 I A 0.0000
377 R A -2.0039
378 N A -2.6265
379 D A -2.7150
380 V A -1.4643
381 I A 0.0000
382 G A 0.0000
383 G A -1.5106
384 R A 0.0000
385 Y A 0.0000
386 T A 0.0000
387 S A -0.3988
388 A A 0.0000
389 L A 0.0000
390 T A 0.0000
391 G A -0.1366
392 S A -0.1791
393 A A -0.3660
394 P A -0.1315
395 I A -1.0244
396 S A -1.4771
397 D A -2.6538
398 E A -2.6565
399 M A -1.7697
400 K A -1.7793
401 A A -1.7715
402 W A -1.3617
403 V A 0.0000
404 E A -1.9056
405 E A -2.2487
406 L A 0.0000
407 L A 0.0000
408 D A -2.0073
409 M A 0.0000
410 H A -1.5973
411 L A 0.0000
412 V A 0.0000
413 E A -0.9448
414 G A -0.4674
415 Y A -0.0629
416 G A -0.1167
417 S A -0.0727
418 T A -0.0181
419 E A 0.0000
420 A A 0.0000
421 G A -0.2250
422 M A 0.0265
423 I A 0.0000
424 L A 0.0000
425 I A -0.5135
426 D A -0.7899
427 G A -0.2730
428 A A -0.6566
429 I A 0.0000
430 R A -0.9805
431 R A -1.5113
432 P A -1.1781
433 A A -0.9986
434 V A 0.0000
435 L A 0.3150
436 D A -0.5732
437 Y A -0.2653
438 K A -0.7159
439 L A -0.0825
440 V A 0.0733
441 D A -0.7375
442 V A 0.0000
443 P A -1.1255
444 D A -2.1293
445 L A -1.3272
446 G A -0.8252
447 Y A -0.3004
448 F A 0.2586
449 L A 0.2870
450 T A -0.3455
451 D A -1.1459
452 R A -2.1753
453 P A -1.6107
454 H A -1.1477
455 P A -0.6247
456 R A -0.3204
457 G A 0.0000
458 E A 0.0000
459 L A 0.0000
460 L A 0.0000
461 V A 0.0000
462 K A -0.6965
463 T A 0.0000
464 D A -1.6710
465 S A -0.8161
466 L A -0.3997
467 F A 0.0000
468 P A -0.2815
469 G A 0.0000
470 Y A 0.0000
471 Y A -0.5080
472 Q A -1.5815
473 R A -1.4629
474 A A -1.4611
475 E A -2.2676
476 V A -1.1482
477 T A -1.0418
478 A A -1.2363
479 D A -1.9309
480 V A -0.8149
481 F A -0.6793
482 D A -1.2245
483 A A -1.1689
484 D A -1.9800
485 G A -1.1777
486 F A 0.0000
487 Y A 0.0000
488 R A -0.7797
489 T A -0.4274
490 G A -1.0072
491 D A -0.8470
492 I A 0.0000
493 M A 0.0000
494 A A 0.0000
495 E A -0.2659
496 V A 0.1790
497 G A -0.2813
498 P A -0.6289
499 E A -0.9087
500 Q A -0.5768
501 F A 0.0000
502 V A 1.2556
503 Y A 0.8832
504 L A 0.5692
505 D A -0.7451
506 R A -1.3294
507 R A -1.9765
508 N A -1.8243
509 N A -1.3019
510 V A -0.7404
511 L A 0.0000
512 K A -0.3539
513 L A 0.0000
514 S A -0.9373
515 Q A -0.7801
516 G A -0.5929
517 E A -0.3079
518 F A 0.6357
519 V A 0.0000
520 T A -0.4052
521 V A -0.2971
522 S A -0.7054
523 K A -1.1317
524 L A 0.0000
525 E A 0.0000
526 A A -0.6715
527 V A -0.4777
528 F A 0.0000
529 G A -1.4280
530 D A -1.9781
531 S A 0.0000
532 P A -0.9794
533 L A -1.0554
534 V A 0.0000
535 R A -1.4592
536 Q A -0.8782
537 I A 0.0000
538 Y A 0.0000
539 I A 0.0000
540 Y A 0.0000
541 G A -0.4576
542 N A -0.6629
543 S A -0.4615
544 A A -0.5622
545 R A -0.8289
546 A A -0.6074
547 Y A 0.0000
548 L A 0.0000
549 L A 0.0000
550 A A 0.0000
551 V A 0.0000
552 I A 0.0000
553 V A 0.0000
554 P A 0.0000
555 T A 0.0000
556 Q A -2.4026
557 E A -2.7721
558 A A 0.0000
559 L A -1.4383
560 D A -2.3733
561 A A -1.3463
562 V A -1.2178
563 P A -1.1026
564 V A -0.8332
565 E A -2.5684
566 E A -2.8818
567 L A 0.0000
568 K A -2.2836
569 A A -2.5423
570 R A -2.9102
571 L A 0.0000
572 G A -2.2221
573 D A -3.0508
574 S A -2.5240
575 L A 0.0000
576 Q A -2.6922
577 E A -3.0207
578 V A -2.0020
579 A A 0.0000
580 K A -2.7705
581 A A -1.7632
582 A A -1.1708
583 G A -1.4436
584 L A -0.9671
585 Q A -1.4255
586 S A -1.0024
587 Y A -0.3066
588 E A 0.0000
589 I A -0.5143
590 P A 0.0000
591 R A -1.3157
592 D A -0.8981
593 F A 0.0000
594 I A 0.3284
595 I A 0.0406
596 E A -0.0254
597 T A -0.0978
598 T A -0.2615
599 P A -0.5661
600 W A 0.0000
601 T A -1.0960
602 L A -0.7702
603 E A -1.8938
604 N A -1.5362
605 G A -0.9709
606 L A 0.0000
607 L A 0.0000
608 T A -1.0712
609 G A -0.3709
610 I A 0.5321
611 R A -1.6371
612 K A -1.9156
613 L A -0.9736
614 A A 0.0000
615 R A -1.5634
616 P A -1.6428
617 Q A -2.1298
618 L A 0.0000
619 K A -2.5503
620 K A -3.2729
621 H A -2.4918
622 Y A 0.0000
623 G A 0.0000
624 E A -2.2649
625 L A -0.3383
626 L A 0.0000
627 E A -1.5596
628 Q A -1.6996
629 I A -1.1806
630 Y A 0.0000
631 T A -1.4694
632 D A -2.4078
633 L A -1.5888
634 A A -1.2952
635 H A -2.1280
636 G A -1.9932
637 Q A -1.6363
638 A A -1.5617
639 N A -2.0195
640 E A -1.7364
641 L A -1.2008
642 R A -2.0761
643 S A -1.6445
644 L A 0.0000
645 R A -3.0817
646 Q A -2.5049
647 S A -1.7955
648 G A 0.0000
649 A A -1.8272
650 D A -2.0177
651 A A -0.7281
652 P A -0.4158
653 V A 0.0000
654 L A 0.0131
655 V A 0.8419
656 T A 0.0000
657 V A 0.0000
658 C A 0.0000
659 R A -0.2810
660 A A 0.0000
661 A A 0.0000
662 A A 0.0000
663 A A 0.0000
664 L A 0.3327
665 L A 0.0165
666 G A -0.3895
667 G A -1.1505
668 S A -1.2338
669 A A -1.1674
670 S A -1.4665
671 D A -2.4089
672 V A 0.0000
673 Q A -2.3007
674 P A -1.7249
675 D A -2.4462
676 A A -2.0551
677 H A -1.5320
678 F A 0.0000
679 T A -1.3902
680 D A -2.0419
681 L A -1.2949
682 G A -1.3947
683 G A -0.9832
684 D A -1.5304
685 S A -0.1284
686 L A 1.0024
687 S A 0.0796
688 A A 0.0000
689 L A 0.3380
690 S A -0.1027
691 F A 0.0000
692 T A 0.0000
693 N A -1.9148
694 L A 0.0000
695 L A 0.0000
696 H A -2.6957
697 E A -3.0745
698 I A 0.0000
699 F A 0.0000
700 D A -2.7665
701 I A -1.9594
702 E A -1.5732
703 V A 0.0000
704 P A -0.2399
705 V A 0.0000
706 G A 0.3546
707 V A 0.3171
708 I A 0.0000
709 V A -0.1343
710 S A 0.0000
711 P A -0.7360
712 A A -1.0213
713 N A -1.1012
714 D A 0.0000
715 L A 0.0000
716 Q A -1.3801
717 A A -1.5032
718 L A 0.0000
719 A A 0.0000
720 D A -2.4475
721 Y A -1.4164
722 V A 0.0000
723 E A -2.8567
724 A A -2.0584
725 A A -2.2175
726 R A -2.9922
727 K A -2.8696
728 P A -1.6312
729 G A -1.3623
730 S A -1.3436
731 T A -1.0979
732 R A -0.9778
733 P A -0.6039
734 T A -0.5698
735 F A 0.0000
736 A A -0.4747
737 S A -0.6859
738 V A 0.0000
739 H A -0.8610
740 G A -0.8276
741 A A -1.0181
742 S A -1.4356
743 N A -1.9883
744 E A -2.7021
745 Q A -2.3934
746 V A -1.5885
747 T A -1.3246
748 Q A -1.5175
749 V A 0.0000
750 H A -1.1851
751 A A 0.0000
752 G A -0.9271
753 D A -1.0273
754 L A 0.0000
755 S A -1.1432
756 L A 0.0000
757 D A -2.6452
758 K A -2.2199
759 F A -1.4307
760 I A 0.0000
761 D A -2.3279
762 A A -1.5500
763 A A -0.9234
764 T A -1.3723
765 L A 0.0000
766 A A -1.2425
767 E A -2.3786
768 A A 0.0000
769 P A -1.7483
770 R A -2.5534
771 L A -1.4346
772 P A -0.8360
773 A A -0.9415
774 A A -1.1868
775 N A -1.8783
776 A A -1.4352
777 Q A -1.8081
778 V A -1.4592
779 R A -2.1581
780 T A -1.2700
781 V A 0.0000
782 L A 0.0000
783 L A 0.0000
784 T A 0.0000
785 G A -0.3198
786 A A 0.0000
787 T A -0.6125
788 G A -0.2873
789 F A -0.0330
790 L A 0.0000
791 G A 0.0000
792 R A -0.3254
793 Y A 0.0000
794 L A 0.0000
795 A A 0.0000
796 L A 0.0000
797 E A -0.8133
798 W A 0.0000
799 L A 0.0000
800 E A -1.1691
801 R A -1.1546
802 M A 0.0000
803 D A -2.2866
804 L A 0.0028
805 V A -1.0022
806 D A -2.4871
807 G A -2.2439
808 K A -2.0052
809 L A 0.0000
810 I A 0.0000
811 C A 0.0000
812 L A 0.0000
813 V A 0.0000
814 R A -1.7353
815 A A -2.0883
816 K A -2.5349
817 S A -2.1656
818 D A -2.4699
819 T A -1.8405
820 E A -2.5654
821 A A 0.0000
822 R A -1.7050
823 A A -1.5776
824 R A -1.8499
825 L A 0.0000
826 D A 0.0000
827 K A -2.5263
828 T A -1.5242
829 F A 0.0000
830 D A -2.7090
831 S A -1.2132
832 G A -1.0800
833 D A -1.2519
834 P A -1.5531
835 E A -2.2930
836 L A 0.0000
837 L A -1.5526
838 A A -1.2827
839 H A -1.1735
840 Y A 0.0000
841 R A -1.6445
842 A A -1.1790
843 L A 0.0000
844 A A 0.0000
845 T A -1.2682
846 D A -2.6293
847 H A 0.0000
848 L A -1.0506
849 E A -0.8720
850 V A 0.0000
851 L A 0.0000
852 A A -1.6521
853 G A -1.4033
854 D A -0.9918
855 K A 0.0000
856 G A -0.7391
857 E A -1.1621
858 A A -0.8555
859 D A 0.0000
860 L A 0.0000
861 G A -1.4728
862 L A -1.7992
863 D A -3.2038
864 R A -3.5381
865 Q A -2.9554
866 T A -2.2322
867 W A 0.0000
868 Q A -2.3882
869 R A -2.1972
870 L A 0.0000
871 A A 0.0000
872 D A -1.9370
873 T A -1.3398
874 V A 0.0000
875 D A 0.0000
876 L A 0.0000
877 I A 0.0000
878 V A 0.0000
879 D A 0.0000
880 P A -0.0776
881 A A 0.1159
882 A A 0.5425
883 L A 0.9048
884 V A 1.8580
885 N A 1.1014
886 H A 0.9272
887 V A 1.6283
888 L A 0.0000
889 P A -0.3603
890 Y A 0.0000
891 S A -0.5476
892 Q A -0.3383
893 L A 0.0000
894 F A 0.0000
895 G A -0.3326
896 P A 0.0000
897 N A 0.0000
898 A A 0.0000
899 L A 0.0000
900 G A 0.0000
901 T A 0.0000
902 A A 0.0000
903 E A -0.4075
904 L A 0.0000
905 L A 0.0000
906 R A -0.5231
907 L A 0.0000
908 A A 0.0000
909 L A 0.0000
910 T A -0.7853
911 S A -1.1919
912 K A -0.9846
913 I A 0.0000
914 K A 0.0000
915 P A -0.8003
916 Y A 0.0000
917 S A 0.0000
918 Y A 0.0000
919 T A 0.0000
920 S A 0.0000
921 T A -0.2169
922 I A 0.0000
923 G A -0.8765
924 V A 0.0000
925 A A -0.8263
926 D A -1.9888
927 Q A -1.5474
928 I A 0.0000
929 P A -0.7836
930 P A -0.4060
931 S A -0.4269
932 A A -0.2210
933 F A 0.0000
934 T A -1.0127
935 E A 0.0000
936 D A -1.9975
937 A A -0.7502
938 D A -0.3081
939 I A 0.0000
940 R A 0.1911
941 V A 1.6274
942 I A 0.8587
943 S A 0.0000
944 A A 0.2456
945 T A -0.4549
946 R A 0.0000
947 A A -1.1026
948 V A -1.0921
949 D A -1.9422
950 D A -1.7753
951 S A -0.5096
952 Y A 0.9392
953 A A 0.4630
954 N A 0.0000
955 G A 0.0000
956 Y A 0.8145
957 S A 0.0000
958 N A 0.0000
959 S A 0.0000
960 K A 0.0000
961 W A 0.0000
962 A A 0.0000
963 G A 0.0000
964 E A 0.0000
965 V A 0.0000
966 L A 0.0000
967 L A 0.0000
968 R A -0.9201
969 E A -0.9465
970 A A 0.0000
971 H A -1.2941
972 D A -1.6738
973 L A -0.1123
974 C A 0.0000
975 G A -1.3594
976 L A 0.0000
977 P A 0.0000
978 V A 0.0000
979 A A 0.0000
980 V A 0.0000
981 F A 0.0000
982 R A 0.0000
983 C A 0.0000
984 D A -0.5808
985 M A -0.0034
986 I A 0.1194
987 L A 0.0000
988 A A 0.0000
989 D A 0.0000
990 T A -0.1965
991 T A -0.0864
992 W A -0.3288
993 A A -0.1709
994 G A 0.0000
995 Q A 0.0000
996 L A 0.0000
997 N A -0.3115
998 V A 0.0136
999 P A -0.4502
1000 D A -0.2253
1001 M A -0.0834
1002 F A 0.0000
1003 T A 0.0000
1004 R A -0.3659
1005 M A 0.0000
1006 I A 0.0000
1007 L A 0.0000
1008 S A 0.0000
1009 L A 0.0000
1010 A A 0.0593
1011 A A 0.1637
1012 T A -0.4132
1013 G A -0.4418
1014 I A -0.5531
1015 A A 0.0000
1016 P A 0.0000
1017 G A -0.7252
1018 S A 0.0000
1019 F A 0.0000
1020 Y A 0.0000
1021 E A -3.0006
1022 L A -1.5229
1023 A A -1.2340
1024 A A -1.0720
1025 D A -1.9542
1026 G A -1.5089
1027 A A -1.4692
1028 R A -1.9835
1029 Q A -2.2523
1030 R A -2.9307
1031 A A 0.0000
1032 H A 0.0000
1033 Y A -0.2927
1034 D A -0.1130
1035 G A 0.0000
1036 L A 0.0000
1037 P A 0.0000
1038 V A 0.0000
1039 E A -0.5624
1040 F A 0.0000
1041 I A 0.0000
1042 A A 0.0000
1043 E A -0.6746
1044 A A 0.0000
1045 I A 0.0000
1046 S A 0.0000
1047 T A -0.6918
1048 L A 0.0000
1049 G A 0.0000
1050 A A -0.8187
1051 Q A -1.7485
1052 S A 0.0000
1053 Q A -2.0257
1054 D A -2.4212
1055 G A -1.3978
1056 F A -1.0630
1057 H A -0.8207
1058 T A 0.0000
1059 Y A 0.0000
1060 H A 0.0000
1061 V A 0.0000
1062 M A 0.0000
1063 N A 0.0000
1064 P A -0.8929
1065 Y A -1.3921
1066 D A -2.7468
1067 D A -1.9273
1068 G A 0.0000
1069 I A -0.9146
1070 G A 0.0000
1071 L A 0.0000
1072 D A 0.0000
1073 E A -0.7221
1074 F A 0.0000
1075 V A 0.0000
1076 D A -1.3714
1077 W A -1.0506
1078 L A 0.0000
1079 N A -1.9596
1080 E A -2.3371
1081 S A -1.3726
1082 G A -1.2388
1083 C A -0.9658
1084 P A -1.1745
1085 I A 0.0000
1086 Q A -1.3346
1087 R A -1.0060
1088 I A -1.1576
1089 A A -1.1754
1090 D A -2.1941
1091 Y A -2.1308
1092 G A -2.2404
1093 D A -2.5879
1094 W A 0.0000
1095 L A -2.1772
1096 Q A -2.4783
1097 R A -2.6421
1098 F A 0.0000
1099 E A -2.0462
1100 T A -1.7874
1101 A A -1.3203
1102 L A 0.0000
1103 R A -2.5456
1104 A A -1.2221
1105 L A -1.5211
1106 P A -1.9084
1107 D A -3.2295
1108 R A -2.9774
1109 Q A -2.0595
1110 R A -2.3702
1111 H A -2.4122
1112 S A -1.3468
1113 S A 0.0000
1114 L A 0.0000
1115 L A -0.7440
1116 P A -0.4429
1117 L A -0.4577
1118 L A 0.0000
1119 H A -1.7083
1120 N A -1.9977
1121 Y A -1.9660
1122 R A -3.1025
1123 Q A -3.2196
1124 P A -2.8258
1125 E A -3.6304
1126 R A -3.3720
1127 P A 0.0000
1128 V A -1.3054
1129 R A -2.5306
1130 G A 0.0000
1131 S A 0.2552
1132 I A 1.6930
1133 A A 0.0000
1134 P A -0.4730
1135 T A 0.0000
1136 D A -2.3560
1137 R A -2.1052
1138 F A 0.0000
1139 R A -2.0698
1140 A A -1.9127
1141 A A -1.8632
1142 V A 0.0000
1143 Q A -3.2592
1144 E A -3.0442
1145 A A -2.4231
1146 K A -3.6560
1147 I A 0.0000
1148 G A -2.0297
1149 P A -1.9894
1150 E A -3.3233
1151 K A -4.0999
1152 D A -2.8138
1153 I A 0.0000
1154 P A -1.1629
1155 H A -1.0603
1156 V A 0.0000
1157 G A -0.3263
1158 A A -0.4066
1159 P A -0.1637
1160 I A 0.0000
1161 I A 0.0000
1162 V A 0.0037
1163 K A -0.2646
1164 Y A 0.0000
1165 V A 0.0000
1166 S A -0.3229
1167 D A 0.0000
1168 L A 0.0000
1169 R A -1.1154
1170 L A 0.2361
1171 L A 0.2317
1172 G A -0.5545
1173 L A 0.0000
1174 L A -0.0791
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Laboratory of Theory of Biopolymers 2018