Project name: HK1 mutant T457M [mutate: TM457A]

Status: done

Started: 2026-03-04 21:56:00
Settings
Chain sequence(s) A: DDQVKKIDKYLYAMRLSDETLIDIMTRFRKEMKNGLSRDFNPTATVKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEKNQNVHMESEVYDTPENIVHGSGSQLFDHVAECLGDFMEKRKIKDKKLPVGFTFSFPCQQSKIDEAILITWTKRFKASGVEGADVVKLLNKAIKKRGDYDANIVAVVNDTVGTMMTCGYDDQHCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMCINTEWGAFGDDGSLEDIRTEFDREIDRGSLNPGKQLFEKMVSGMYLGELVRLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKNKEGLHNAKEILTRLGVEPSDDDCVSVQHVCTIVSFRSANLVAATLGAILNRLRDNKGTPRLRTTVGVDGSLYKTHPQYSRRFHKTLRRLVPDSDVRFLLSESGSGKGAAMVTAVAYRLAEQHRQIEETLAHFHLTKDMLLEVKKRMRAEMELGLRKQTHNNAVVKMLPSFVRRTPDGTENGDFLALDLGGTNFRVLLVKIRSGKKRTVEMHNKIYAIPIEIMQGTGEELFDHIVSCISDFLDYMGIKGPRMPLGFTFSFPCQQTSLDAGILITWTKGFKATDCVGHDVVTLLRDAIKRREEFDLDVVAVVNDTVGTMMTCAYEEPTCEVGLIVGTGSNACYMEEMKNVEMVEGDQGQMCINMEWGAFGDNGCLDDIRTHYDRLVDEYSLNAGKQRYEKMISGMYLGEIVRNILIDFTKKGFLFRGQISETLKTRGIFETKFLSQIESDRLALLQVRAILQQLGLNSTCDDSILVKTVCGVVSRRAAQLCGAGMAAVVDKIRENRGLDRLNVTVGVDGTLYKLHPHFSRIMHQTVKELSPKCNVSFLLSEDGSGKGAALITAVGVRLRTE
B: DDQVKKIDKYLYAMRLSDETLIDIMTRFRKEMKNGLSRDFNPTATVKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEKNQNVHMESEVYDTPENIVHGSGSQLFDHVAECLGDFMEKRKIKDKKLPVGFTFSFPCQQSKIDEAILITWTKRFKASGVEGADVVKLLNKAIKKRGDYDANIVAVVNDTVGTMMTCGYDDQHCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMCINTEWGAFGDDGSLEDIRTEFDREIDRGSLNPGKQLFEKMVSGMYLGELVRLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKNKEGLHNAKEILTRLGVEPSDDDCVSVQHVCTIVSFRSANLVAATLGAILNRLRDNKGTPRLRTTVGVDGSLYKTHPQYSRRFHKTLRRLVPDSDVRFLLSESGSGKGAAMVTAVAYRLAEQHRQIEETLAHFHLTKDMLLEVKKRMRAEMELGLRKQTHNNAVVKMLPSFVRRTPDGTENGDFLALDLGGTNFRVLLVKIRSGKKRTVEMHNKIYAIPIEIMQGTGEELFDHIVSCISDFLDYMGIKGPRMPLGFTFSFPCQQTSLDAGILITWTKGFKATDCVGHDVVTLLRDAIKRREEFDLDVVAVVNDTVGTMMTCAYEEPTCEVGLIVGTGSNACYMEEMKNVEMVEGDQGQMCINMEWGAFGDNGCLDDIRTHYDRLVDEYSLNAGKQRYEKMISGMYLGEIVRNILIDFTKKGFLFRGQISETLKTRGIFETKFLSQIESDRLALLQVRAILQQLGLNSTCDDSILVKTVCGVVSRRAAQLCGAGMAAVVDKIRENRGLDRLNVTVGVDGTLYKLHPHFSRIMHQTVKELSPKCNVSFLLSEDGSGKGAALITAVGVRLRTE
input PDB
Selected Chain(s) A,B
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues TM457A
Energy difference between WT (input) and mutated protein (by FoldX) -0.147036 kcal/mol
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 all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       FoldX:    Building mutant model                                                       (00:59:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:59:37)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (01:25:43)
[INFO]       Main:     Simulation completed successfully.                                          (01:26:38)
Show buried residues

Minimal score value
-4.8162
Maximal score value
0.9924
Average score
-0.9369
Total score value
-1684.4624

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
16 D A -3.1405
17 D A -3.8064
18 Q A -2.8107
19 V A -2.0499
20 K A -3.2539
21 K A -2.5706
22 I A 0.0000
23 D A -1.5673
24 K A -1.9763
25 Y A -0.2232
26 L A 0.0000
27 Y A 0.2787
28 A A 0.2316
29 M A 0.0000
30 R A -0.6990
31 L A -0.4458
32 S A -1.1235
33 D A -1.6460
34 E A -2.0003
35 T A -1.2285
36 L A 0.0000
37 I A -0.2225
38 D A -1.4101
39 I A 0.0000
40 M A 0.0000
41 T A -1.3441
42 R A -1.6845
43 F A 0.0000
44 R A -3.2826
45 K A -3.4246
46 E A -2.3891
47 M A 0.0000
48 K A -2.9453
49 N A -2.2782
50 G A 0.0000
51 L A 0.0000
52 S A -1.7565
53 R A -2.3411
54 D A -1.5669
55 F A -0.7664
56 N A -1.3691
57 P A -1.1781
58 T A -0.4160
59 A A -0.8092
60 T A -0.9921
61 V A 0.0000
62 K A -0.5982
63 M A 0.0000
64 L A 0.0000
65 P A 0.0000
66 T A 0.0000
67 F A -0.4323
68 V A 0.0000
69 R A -1.7522
70 S A -1.3793
71 I A -0.9754
72 P A 0.0000
73 D A -2.0890
74 G A -1.8029
75 S A -1.5360
76 E A -1.7043
77 K A -2.3673
78 G A -1.0729
79 D A -1.3473
80 F A 0.0000
81 I A 0.0000
82 A A 0.0000
83 L A 0.0000
84 D A -0.3765
85 L A 0.0000
86 G A 0.0000
87 G A -0.8178
88 S A -0.7028
89 S A -0.5291
90 F A 0.0000
91 R A -0.2893
92 I A 0.0000
93 L A 0.0000
94 R A -1.1194
95 V A 0.0000
96 Q A -1.8551
97 V A 0.0000
98 N A -3.3970
99 H A -3.5242
100 E A -3.9661
101 K A -4.0023
102 N A -3.7392
103 Q A -3.6913
104 N A -3.0276
105 V A -1.2912
106 H A -1.7448
107 M A -1.1101
108 E A -1.8187
109 S A -0.8630
110 E A -0.4486
111 V A 0.7848
112 Y A -0.2091
113 D A -1.6375
114 T A -1.3028
115 P A -1.7109
116 E A -2.8698
117 N A -1.9032
118 I A 0.0000
119 V A 0.0000
120 H A -1.8160
121 G A -1.2319
122 S A -0.9906
123 G A 0.0000
124 S A -0.8817
125 Q A -0.9139
126 L A 0.0000
127 F A 0.0000
128 D A -1.8560
129 H A -1.2632
130 V A 0.0000
131 A A 0.0000
132 E A -1.8582
133 C A 0.0000
134 L A 0.0000
135 G A 0.0000
136 D A -2.3958
137 F A 0.0000
138 M A 0.0000
139 E A -3.9961
140 K A -3.4589
141 R A -2.7441
142 K A -3.9132
143 I A 0.0000
144 K A -3.9872
145 D A -3.9846
146 K A -3.9267
147 K A -3.4904
148 L A 0.0000
149 P A 0.0000
150 V A 0.0000
151 G A 0.0000
152 F A 0.0000
153 T A 0.0000
154 F A 0.0000
155 S A -0.2684
156 F A 0.0000
157 P A 0.0000
158 C A 0.0000
159 Q A -1.3791
160 Q A -1.3985
161 S A -1.1917
162 K A -1.9714
163 I A -1.0697
164 D A -1.5667
165 E A -1.6075
166 A A 0.0000
167 I A -0.6101
168 L A 0.0000
169 I A -0.2180
170 T A -0.5412
171 W A 0.0000
172 T A 0.0000
173 K A -0.8056
174 R A -1.7387
175 F A 0.0000
176 K A -1.7253
177 A A 0.0000
178 S A -1.3316
179 G A -1.0823
180 V A 0.0000
181 E A -1.4280
182 G A -1.0414
183 A A -0.9280
184 D A -1.0780
185 V A 0.0000
186 V A 0.0000
187 K A -2.2070
188 L A -1.3248
189 L A 0.0000
190 N A -2.5700
191 K A -3.2198
192 A A 0.0000
193 I A 0.0000
194 K A -4.0058
195 K A -3.6985
196 R A -3.3903
197 G A -2.7120
198 D A -2.6638
199 Y A -3.0316
200 D A -3.5166
201 A A -2.0574
202 N A -1.2008
203 I A 0.0000
204 V A 0.0000
205 A A 0.0000
206 V A 0.0000
207 V A 0.0000
208 N A 0.0000
209 D A -0.3764
210 T A 0.0000
211 V A 0.0000
212 G A 0.0000
213 T A 0.0000
214 M A 0.0000
215 M A 0.0000
216 T A 0.0000
217 C A 0.0000
218 G A 0.0000
219 Y A -1.3953
220 D A -2.1436
221 D A -1.9292
222 Q A -2.3877
223 H A -2.2760
224 C A 0.0000
225 E A -0.8398
226 V A 0.0000
227 G A 0.0000
228 L A 0.0000
229 I A -0.0502
230 I A 0.0000
231 G A 0.0000
232 T A -0.2311
233 G A 0.0000
234 T A 0.0000
235 N A -0.1203
236 A A 0.0000
237 C A 0.0000
238 Y A 0.0000
239 M A 0.0000
240 E A 0.0000
241 E A -2.0702
242 L A 0.0000
243 R A -3.5928
244 H A -1.9396
245 I A 0.0000
246 D A -2.0493
247 L A -0.6746
248 V A -1.2071
249 E A -2.5307
250 G A -2.8611
251 D A -3.8501
252 E A -2.9804
253 G A -2.3534
254 R A -2.0819
255 M A 0.0000
256 C A 0.0000
257 I A 0.0000
258 N A 0.0000
259 T A 0.0000
260 E A 0.0000
261 W A 0.0000
262 G A 0.0000
263 A A 0.0000
264 F A 0.0000
265 G A 0.0000
266 D A -2.0475
267 D A -2.5189
268 G A -1.9676
269 S A -1.5449
270 L A 0.0000
271 E A -2.2494
272 D A -2.2174
273 I A -0.9947
274 R A 0.0000
275 T A 0.0000
276 E A -2.3197
277 F A 0.0000
278 D A 0.0000
279 R A -2.1626
280 E A -1.9185
281 I A 0.0000
282 D A -1.4292
283 R A -1.1537
284 G A -0.8763
285 S A -0.6975
286 L A -0.2865
287 N A -0.7675
288 P A -0.8246
289 G A -1.5370
290 K A -1.9383
291 Q A -1.0333
292 L A 0.0000
293 F A 0.0000
294 E A 0.0000
295 K A 0.0000
296 M A 0.0000
297 V A 0.0000
298 S A 0.0000
299 G A -0.1158
300 M A -0.0666
301 Y A 0.0000
302 L A 0.0000
303 G A 0.0000
304 E A -0.8665
305 L A 0.0000
306 V A 0.0000
307 R A 0.0000
308 L A -0.5831
309 I A 0.0000
310 L A 0.0000
311 V A 0.0000
312 K A -1.8120
313 M A 0.0000
314 A A 0.0000
315 K A -3.3119
316 E A -3.3360
317 G A -2.5885
318 L A -1.5047
319 L A 0.0000
320 F A 0.0000
321 E A -3.0015
322 G A -2.6976
323 R A -2.5749
324 I A -1.2117
325 T A -0.7436
326 P A -0.7598
327 E A -1.4863
328 L A 0.0000
329 L A -0.7238
330 T A -1.2075
331 R A -1.8735
332 G A -1.7758
333 K A -1.7942
334 F A 0.0000
335 N A -1.7754
336 T A -0.8390
337 S A -0.7062
338 D A 0.0000
339 V A 0.0000
340 S A 0.0000
341 A A -1.0586
342 I A 0.0000
343 E A 0.0000
344 K A -2.4038
345 N A -2.8067
346 K A -3.3642
347 E A -3.1908
348 G A 0.0000
349 L A -1.8361
350 H A -2.5348
351 N A -2.1693
352 A A 0.0000
353 K A -3.1025
354 E A -2.8410
355 I A 0.0000
356 L A 0.0000
357 T A -2.3853
358 R A -2.6856
359 L A 0.0000
360 G A -1.7551
361 V A 0.0000
362 E A -2.9237
363 P A -2.7187
364 S A -2.4565
365 D A -3.0462
366 D A -2.6790
367 D A -2.0335
368 C A 0.0000
369 V A -0.6669
370 S A 0.0000
371 V A 0.0000
372 Q A -0.2013
373 H A -0.0689
374 V A 0.0000
375 C A 0.0000
376 T A 0.1661
377 I A 0.0000
378 V A 0.0000
379 S A 0.0000
380 F A 0.7481
381 R A 0.0000
382 S A 0.0000
383 A A 0.0000
384 N A 0.0000
385 L A 0.0000
386 V A 0.0000
387 A A 0.0000
388 A A 0.0000
389 T A 0.0000
390 L A 0.0000
391 G A 0.0000
392 A A 0.0000
393 I A 0.0000
394 L A 0.0000
395 N A -1.4584
396 R A -1.7896
397 L A 0.0000
398 R A -2.5649
399 D A -2.8785
400 N A -2.0251
401 K A -2.3312
402 G A -1.9933
403 T A -1.8316
404 P A -1.7016
405 R A -2.7977
406 L A 0.0000
407 R A -2.7909
408 T A 0.0000
409 T A 0.0000
410 V A 0.0000
411 G A 0.0000
412 V A 0.0000
413 D A -0.7122
414 G A -0.6036
415 S A -0.7750
416 L A 0.0000
417 Y A 0.0000
418 K A -1.4930
419 T A -0.7541
420 H A 0.0000
421 P A -1.0853
422 Q A 0.0000
423 Y A 0.0000
424 S A -1.4817
425 R A -2.4533
426 R A -1.6176
427 F A 0.0000
428 H A -2.2920
429 K A -3.1697
430 T A 0.0000
431 L A 0.0000
432 R A -3.0094
433 R A -2.8026
434 L A -1.5003
435 V A 0.0000
436 P A -1.6711
437 D A -2.0107
438 S A -2.0869
439 D A -2.0339
440 V A 0.0000
441 R A -1.2744
442 F A 0.0806
443 L A -0.0241
444 L A -0.2422
445 S A 0.0000
446 E A -1.8816
447 S A -0.9535
448 G A -0.7153
449 S A 0.0000
450 G A 0.0000
451 K A 0.0000
452 G A 0.0000
453 A A 0.0000
454 A A 0.0000
455 M A 0.0000
456 V A 0.0000
457 M A 0.0000 mutated: TM457A
458 A A -0.3812
459 V A 0.0002
460 A A 0.0000
461 Y A -0.7699
462 R A -1.7016
463 L A -0.8911
464 A A -1.8383
465 E A -3.1472
466 Q A -2.7162
467 H A -3.3834
468 R A -4.1687
469 Q A -3.5173
470 I A -2.7860
471 E A -3.9899
472 E A -3.6794
473 T A -2.2850
474 L A 0.0000
475 A A -1.9063
476 H A -1.9080
477 F A 0.0000
478 H A -1.4947
479 L A -1.2222
480 T A -1.6253
481 K A -2.8083
482 D A -2.6136
483 M A -1.8881
484 L A 0.0000
485 L A -1.8094
486 E A -2.1889
487 V A 0.0000
488 K A -1.5433
489 K A -2.3000
490 R A -1.4856
491 M A 0.0000
492 R A -1.4383
493 A A -0.8802
494 E A 0.0000
495 M A 0.0000
496 E A -1.1516
497 L A -0.8392
498 G A 0.0000
499 L A 0.0000
500 R A -1.9831
501 K A -3.0221
502 Q A -2.5840
503 T A -2.0016
504 H A -2.2908
505 N A -2.5624
506 N A -2.3060
507 A A 0.0000
508 V A -0.7702
509 V A 0.0000
510 K A -0.8297
511 M A 0.0000
512 L A 0.0000
513 P A 0.0000
514 S A 0.0000
515 F A -0.4743
516 V A 0.0000
517 R A -2.8974
518 R A -3.0102
519 T A -1.7733
520 P A -1.5618
521 D A -1.6149
522 G A -1.5139
523 T A -1.1699
524 E A 0.0000
525 N A -2.0295
526 G A -1.2977
527 D A -1.1471
528 F A 0.0000
529 L A 0.0000
530 A A 0.0000
531 L A 0.0000
532 D A 0.0000
533 L A 0.0000
534 G A 0.0000
535 G A -0.8561
536 T A -0.7342
537 N A -1.0991
538 F A 0.0000
539 R A -0.9592
540 V A 0.0000
541 L A 0.0000
542 L A 0.0000
543 V A 0.0000
544 K A -1.3443
545 I A 0.0000
546 R A -2.7560
547 S A -2.4879
548 G A -2.5571
549 K A -3.1703
550 K A -3.3677
551 R A -2.9245
552 T A -1.9030
553 V A -1.1677
554 E A -1.4898
555 M A -0.7728
556 H A -0.5440
557 N A -0.5943
558 K A 0.0000
559 I A 0.0000
560 Y A 0.0000
561 A A 0.0436
562 I A 0.3829
563 P A 0.3690
564 I A 0.9924
565 E A -1.1250
566 I A -0.8515
567 M A -0.2590
568 Q A -1.0889
569 G A -1.4589
570 T A -2.0740
571 G A 0.0000
572 E A -3.1929
573 E A -2.8234
574 L A 0.0000
575 F A 0.0000
576 D A -2.2996
577 H A -1.1035
578 I A 0.0000
579 V A 0.0000
580 S A -0.7981
581 C A 0.0000
582 I A 0.0000
583 S A 0.0000
584 D A -1.4475
585 F A 0.0000
586 L A 0.0000
587 D A -1.3421
588 Y A 0.0000
589 M A -0.6933
590 G A -0.9089
591 I A -0.6667
592 K A -1.9939
593 G A -1.8256
594 P A -1.8645
595 R A -2.7634
596 M A 0.0000
597 P A -0.7920
598 L A 0.0000
599 G A 0.0000
600 F A 0.0000
601 T A 0.0000
602 F A 0.0000
603 S A -0.2333
604 F A 0.0000
605 P A 0.0000
606 C A -0.1501
607 Q A -0.8953
608 Q A -0.7005
609 T A -0.4048
610 S A -0.4962
611 L A -0.3231
612 D A -1.1782
613 A A -0.7778
614 G A 0.0000
615 I A 0.2659
616 L A 0.0000
617 I A 0.5176
618 T A 0.4296
619 W A 0.0000
620 T A 0.0000
621 K A -0.2378
622 G A 0.0011
623 F A 0.0000
624 K A -0.9542
625 A A 0.0000
626 T A -1.4414
627 D A -1.9762
628 C A 0.0000
629 V A 0.6965
630 G A -0.1589
631 H A -0.3941
632 D A -0.3781
633 V A 0.0000
634 V A 0.0000
635 T A -1.0020
636 L A -1.2829
637 L A 0.0000
638 R A -2.6135
639 D A -3.8111
640 A A -3.4010
641 I A 0.0000
642 K A -4.6645
643 R A -4.3435
644 R A -3.6919
645 E A -4.0685
646 E A -2.7480
647 F A -2.5870
648 D A -3.5233
649 L A 0.0000
650 D A -1.1199
651 V A 0.0000
652 V A 0.0000
653 A A 0.0000
654 V A 0.0000
655 V A 0.0000
656 N A 0.0000
657 D A -0.3143
658 T A 0.0000
659 V A 0.0000
660 G A 0.0000
661 T A 0.0000
662 M A 0.0000
663 M A 0.0000
664 T A 0.0000
665 C A 0.0000
666 A A 0.0000
667 Y A -1.2123
668 E A -2.1160
669 E A -1.4946
670 P A -1.1831
671 T A -0.8914
672 C A 0.0000
673 E A -0.6995
674 V A 0.0000
675 G A 0.0000
676 L A 0.0000
677 I A -0.0248
678 V A 0.0000
679 G A 0.0000
680 T A -0.0349
681 G A 0.0000
682 S A 0.0000
683 N A -0.1541
684 A A 0.0000
685 C A 0.0000
686 Y A 0.0000
687 M A 0.0000
688 E A 0.0000
689 E A -1.8970
690 M A 0.0000
691 K A -3.1804
692 N A -2.0387
693 V A 0.0000
694 E A -2.4011
695 M A -1.4158
696 V A -1.3957
697 E A -2.5572
698 G A -2.7315
699 D A -3.7703
700 Q A -3.1372
701 G A -2.5110
702 Q A -2.3739
703 M A 0.0000
704 C A 0.0000
705 I A 0.0000
706 N A 0.0000
707 M A 0.0000
708 E A -0.2809
709 W A 0.0000
710 G A 0.0000
711 A A 0.0000
712 F A 0.0000
713 G A 0.0000
714 D A -1.4668
715 N A -1.8947
716 G A -1.6615
717 C A -1.1983
718 L A 0.0000
719 D A -2.6353
720 D A -2.3831
721 I A -1.3553
722 R A 0.0000
723 T A -1.3398
724 H A -1.3439
725 Y A 0.0000
726 D A 0.0000
727 R A -1.6511
728 L A -0.7480
729 V A 0.0000
730 D A 0.0000
731 E A -1.3088
732 Y A 0.5486
733 S A 0.2888
734 L A 0.6138
735 N A -0.2350
736 A A -0.5408
737 G A -1.1436
738 K A -1.4148
739 Q A -0.8501
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731 E B -1.4252
732 Y B 0.4566
733 S B 0.1374
734 L B 0.3254
735 N B -0.4253
736 A B -0.6608
737 G B -1.2128
738 K B -1.4326
739 Q B 0.0000
740 R B -1.2497
741 Y B 0.0000
742 E B 0.0000
743 K B 0.0000
744 M B 0.0000
745 I B 0.0000
746 S B 0.0000
747 G B 0.0000
748 M B -0.0701
749 Y B 0.0000
750 L B 0.0000
751 G B 0.0000
752 E B -0.8475
753 I B 0.0000
754 V B 0.0000
755 R B 0.0000
756 N B -0.6409
757 I B 0.0000
758 L B 0.0000
759 I B -0.8180
760 D B -0.9698
761 F B 0.0000
762 T B 0.0000
763 K B -2.7855
764 K B -2.6246
765 G B -2.2258
766 F B -1.3986
767 L B 0.0000
768 F B 0.0000
769 R B -2.7509
770 G B -2.4510
771 Q B -2.3473
772 I B -1.3474
773 S B -1.5895
774 E B -2.5164
775 T B -1.7041
776 L B 0.0000
777 K B -2.7374
778 T B -2.3115
779 R B -2.6857
780 G B -1.8622
781 I B -1.2595
782 F B 0.0000
783 E B -2.4364
784 T B 0.0000
785 K B -1.9464
786 F B 0.0000
787 L B 0.0000
788 S B -1.2066
789 Q B -1.2766
790 I B 0.0000
791 E B 0.0000
792 S B -1.6034
793 D B -2.6380
794 R B -2.7909
795 L B -1.4836
796 A B -0.8932
797 L B -0.0546
798 L B 0.0985
799 Q B 0.0000
800 V B 0.0000
801 R B -0.6662
802 A B -0.4862
803 I B -0.5317
804 L B 0.0000
805 Q B -1.8734
806 Q B -1.7006
807 L B -0.7910
808 G B -1.3921
809 L B 0.0000
810 N B -2.1376
811 S B 0.0000
812 T B -1.3129
813 C B 0.0000
814 D B -1.6858
815 D B 0.0000
816 S B 0.0000
817 I B 0.3795
818 L B 0.1817
819 V B 0.0000
820 K B -0.1672
821 T B 0.1041
822 V B 0.0000
823 C B 0.0000
824 G B 0.0000
825 V B -0.5413
826 V B 0.0000
827 S B 0.0000
828 R B -1.1559
829 R B 0.0000
830 A B 0.0000
831 A B 0.0000
832 Q B -0.9195
833 L B 0.0000
834 C B 0.0000
835 G B 0.0000
836 A B 0.0000
837 G B 0.0000
838 M B 0.0000
839 A B 0.0000
840 A B 0.0000
841 V B 0.0000
842 V B 0.0000
843 D B -1.4439
844 K B -1.2612
845 I B 0.0000
846 R B 0.0000
847 E B -2.8176
848 N B -1.7443
849 R B -1.8276
850 G B -1.9279
851 L B -2.0842
852 D B -3.1239
853 R B -3.7808
854 L B 0.0000
855 N B -2.2195
856 V B 0.0000
857 T B 0.0000
858 V B 0.0000
859 G B 0.0000
860 V B 0.0000
861 D B -0.7088
862 G B -0.4594
863 T B -0.6800
864 L B 0.0000
865 Y B 0.0000
866 K B -1.3109
867 L B -0.4547
868 H B 0.0000
869 P B -1.0671
870 H B -1.1857
871 F B 0.0000
872 S B -1.4188
873 R B -2.1923
874 I B -1.4975
875 M B 0.0000
876 H B -1.9546
877 Q B -2.6835
878 T B 0.0000
879 V B 0.0000
880 K B -3.2731
881 E B -2.9090
882 L B 0.0000
883 S B 0.0000
884 P B -2.1718
885 K B -2.9754
886 C B 0.0000
887 N B -2.6443
888 V B -1.2395
889 S B -0.3192
890 F B 0.5353
891 L B 0.4563
892 L B -0.1007
893 S B 0.0000
894 E B -1.9880
895 D B -1.9160
896 G B -1.0772
897 S B 0.0000
898 G B 0.0000
899 K B 0.0000
900 G B 0.0000
901 A B 0.0000
902 A B 0.0000
903 L B 0.0000
904 I B 0.0000
905 T B 0.0000
906 A B 0.0000
907 V B -0.3233
908 G B 0.0000
909 V B -0.4674
910 R B -1.0040
911 L B -0.2330
912 R B -1.8090
913 T B -1.5195
914 E B -2.0727
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Laboratory of Theory of Biopolymers 2018