Project name: HK1 WT

Status: done

Started: 2026-03-04 21:48:48
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
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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:56:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:57:51)
Show buried residues

Minimal score value
-4.9624
Maximal score value
0.9742
Average score
-0.9554
Total score value
-1717.8929

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 -3.2837
17 D A -4.1396
18 Q A -3.2237
19 V A -2.3722
20 K A -3.6661
21 K A -3.5761
22 I A 0.0000
23 D A -1.8481
24 K A -2.2910
25 Y A -0.4146
26 L A 0.0000
27 Y A 0.1756
28 A A 0.2256
29 M A 0.0000
30 R A -0.7490
31 L A -0.4729
32 S A -1.1331
33 D A -1.6605
34 E A -1.9928
35 T A -1.2249
36 L A 0.0000
37 I A -0.2221
38 D A -1.4090
39 I A 0.0000
40 M A 0.0000
41 T A -1.3889
42 R A -1.7683
43 F A 0.0000
44 R A -3.3302
45 K A -3.4415
46 E A -2.3779
47 M A 0.0000
48 K A -2.8945
49 N A -2.1543
50 G A 0.0000
51 L A 0.0000
52 S A -1.7266
53 R A -2.3712
54 D A -1.5981
55 F A -0.7314
56 N A -1.3668
57 P A -1.1983
58 T A -0.3701
59 A A -0.7736
60 T A -0.9728
61 V A 0.0000
62 K A -0.5795
63 M A 0.0000
64 L A 0.0000
65 P A 0.0000
66 T A 0.0000
67 F A -0.4361
68 V A 0.0000
69 R A -1.8593
70 S A -1.4359
71 I A -1.0033
72 P A 0.0000
73 D A -2.0547
74 G A -1.7490
75 S A -1.4414
76 E A 0.0000
77 K A -2.3070
78 G A -1.0971
79 D A -1.4183
80 F A 0.0000
81 I A 0.0000
82 A A 0.0000
83 L A 0.0000
84 D A -0.5830
85 L A 0.0000
86 G A 0.0000
87 G A -0.9018
88 S A -0.7482
89 S A -0.5995
90 F A 0.0000
91 R A -0.7217
92 I A 0.0000
93 L A 0.0000
94 R A -1.1592
95 V A 0.0000
96 Q A -1.9549
97 V A 0.0000
98 N A -3.3628
99 H A -3.4690
100 E A -3.9315
101 K A -3.9787
102 N A -3.6914
103 Q A -3.6095
104 N A -2.9969
105 V A -1.2884
106 H A -1.7632
107 M A -1.1656
108 E A -1.9189
109 S A -1.0333
110 E A -0.6104
111 V A 0.6039
112 Y A -0.3072
113 D A -1.6544
114 T A -1.2448
115 P A -1.6664
116 E A -2.9120
117 N A -1.9418
118 I A -1.3689
119 V A 0.0000
120 H A -1.8340
121 G A -1.2177
122 S A -0.9738
123 G A 0.0000
124 S A -0.9077
125 Q A -0.9261
126 L A 0.0000
127 F A 0.0000
128 D A -2.2238
129 H A -1.5374
130 V A 0.0000
131 A A 0.0000
132 E A -2.5351
133 C A 0.0000
134 L A 0.0000
135 G A 0.0000
136 D A -2.5383
137 F A 0.0000
138 M A 0.0000
139 E A -3.9894
140 K A -3.4549
141 R A -2.7384
142 K A -3.9014
143 I A 0.0000
144 K A -3.9515
145 D A -3.9541
146 K A -3.8783
147 K A -3.5182
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 -0.2868
156 F A 0.0000
157 P A 0.0000
158 C A 0.0000
159 Q A -1.3838
160 Q A -1.4045
161 S A -1.2066
162 K A -1.9919
163 I A -1.0644
164 D A -1.5658
165 E A -1.6194
166 A A 0.0000
167 I A -0.6098
168 L A 0.0000
169 I A -0.2143
170 T A -0.5401
171 W A 0.0000
172 T A 0.0000
173 K A -0.8265
174 R A -1.8077
175 F A 0.0000
176 K A -1.7047
177 A A 0.0000
178 S A -1.2660
179 G A -1.0532
180 V A 0.0000
181 E A -1.4115
182 G A -1.0353
183 A A -0.9249
184 D A -1.0773
185 V A 0.0000
186 V A 0.0000
187 K A -2.2065
188 L A -1.3490
189 L A 0.0000
190 N A -2.6209
191 K A -3.2603
192 A A 0.0000
193 I A 0.0000
194 K A -4.0313
195 K A -3.7696
196 R A -3.6044
197 G A -2.7425
198 D A -2.7416
199 Y A -3.0260
200 D A -3.5621
201 A A -2.1545
202 N A -1.4214
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 -0.3954
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 -2.1442
221 D A -1.9341
222 Q A -2.4045
223 H A -2.2857
224 C A 0.0000
225 E A -0.8514
226 V A 0.0000
227 G A 0.0000
228 L A 0.0000
229 I A -0.0554
230 I A 0.0000
231 G A 0.0000
232 T A -0.2282
233 G A 0.0000
234 T A 0.0000
235 N A -0.1202
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 -2.0994
242 L A 0.0000
243 R A -3.6160
244 H A -1.9462
245 I A 0.0000
246 D A -2.0817
247 L A -0.7226
248 V A -1.2282
249 E A -2.5729
250 G A -2.9193
251 D A -3.9056
252 E A -3.0680
253 G A -2.4149
254 R A -2.1405
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 -2.0414
267 D A -2.5171
268 G A -1.9677
269 S A -1.5526
270 L A 0.0000
271 E A -2.2363
272 D A -2.2112
273 I A -0.9906
274 R A 0.0000
275 T A 0.0000
276 E A -2.3172
277 F A 0.0000
278 D A 0.0000
279 R A -2.1584
280 E A -1.9107
281 I A 0.0000
282 D A -1.4131
283 R A -1.1484
284 G A -0.8634
285 S A -0.6744
286 L A -0.2715
287 N A -0.7791
288 P A -0.8333
289 G A -1.5394
290 K A -1.9335
291 Q A -1.0330
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 -0.0741
300 M A -0.0138
301 Y A -0.0156
302 L A 0.0000
303 G A 0.0000
304 E A -0.8722
305 L A 0.0000
306 V A 0.0000
307 R A 0.0000
308 L A -0.5664
309 I A 0.0000
310 L A 0.0000
311 V A 0.0000
312 K A -1.7139
313 M A 0.0000
314 A A 0.0000
315 K A -3.2409
316 E A -3.2359
317 G A -2.4539
318 L A -1.3621
319 L A 0.0000
320 F A 0.0000
321 E A -2.9366
322 G A -2.6150
323 R A -2.5250
324 I A -1.1977
325 T A -0.7161
326 P A -0.7424
327 E A -1.5059
328 L A 0.0000
329 L A -0.7632
330 T A -1.2695
331 R A -1.9472
332 G A -1.8791
333 K A -2.0311
334 F A 0.0000
335 N A -1.8239
336 T A -0.8409
337 S A -0.7064
338 D A 0.0000
339 V A 0.0000
340 S A 0.0000
341 A A -1.0513
342 I A 0.0000
343 E A 0.0000
344 K A -2.3881
345 N A -2.7797
346 K A -3.3073
347 E A -3.0811
348 G A 0.0000
349 L A -1.8634
350 H A -2.5491
351 N A -2.2050
352 A A 0.0000
353 K A -3.2189
354 E A -2.9220
355 I A 0.0000
356 L A 0.0000
357 T A -2.4296
358 R A -2.7396
359 L A 0.0000
360 G A -1.7011
361 V A 0.0000
362 E A -2.9271
363 P A -2.7462
364 S A -2.4742
365 D A -3.0728
366 D A -2.6977
367 D A -2.0255
368 C A 0.0000
369 V A -0.6933
370 S A 0.0000
371 V A 0.0000
372 Q A -0.2247
373 H A -0.0663
374 V A 0.0000
375 C A 0.0000
376 T A 0.1642
377 I A 0.0000
378 V A 0.0000
379 S A 0.0000
380 F A 0.7339
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 -1.3611
396 R A -1.7701
397 L A 0.0000
398 R A -2.5042
399 D A -2.8443
400 N A -2.0099
401 K A -2.3190
402 G A -1.9808
403 T A -1.8144
404 P A -1.6777
405 R A -2.7390
406 L A 0.0000
407 R A -2.7787
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 -0.7255
414 G A -0.6116
415 S A -0.7786
416 L A 0.0000
417 Y A 0.0000
418 K A -1.4928
419 T A -0.7539
420 H A 0.0000
421 P A -1.0546
422 Q A 0.0000
423 Y A 0.0000
424 S A -1.3861
425 R A -2.2611
426 R A -1.5126
427 F A 0.0000
428 H A -2.2297
429 K A -3.1282
430 T A 0.0000
431 L A 0.0000
432 R A -3.0064
433 R A -2.8832
434 L A -1.5356
435 V A 0.0000
436 P A -1.6818
437 D A -1.9908
438 S A -2.0458
439 D A -2.0145
440 V A 0.0000
441 R A -1.2711
442 F A 0.0841
443 L A -0.0205
444 L A -0.2540
445 S A 0.0000
446 E A -1.9270
447 S A -1.0406
448 G A -0.7850
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 T A 0.0000
458 A A -0.3269
459 V A 0.0718
460 A A 0.0000
461 Y A -0.7633
462 R A -1.6694
463 L A -1.0451
464 A A -1.8289
465 E A -2.9630
466 Q A -2.8005
467 H A -3.4644
468 R A -4.2653
469 Q A -3.8832
470 I A -2.9857
471 E A -4.0836
472 E A -3.8316
473 T A -2.3945
474 L A 0.0000
475 A A -1.9491
476 H A -1.9082
477 F A 0.0000
478 H A -1.4956
479 L A -1.2273
480 T A -1.6345
481 K A -2.8250
482 D A -2.6038
483 M A -1.8676
484 L A 0.0000
485 L A -1.7385
486 E A -2.1890
487 V A 0.0000
488 K A 0.0000
489 K A -2.4065
490 R A -1.6375
491 M A 0.0000
492 R A -2.1152
493 A A -1.2103
494 E A 0.0000
495 M A 0.0000
496 E A -1.4175
497 L A -0.9707
498 G A 0.0000
499 L A 0.0000
500 R A -2.0154
501 K A -3.0377
502 Q A -2.5863
503 T A -2.0151
504 H A -2.3018
505 N A -2.5602
506 N A -2.3039
507 A A 0.0000
508 V A -0.7719
509 V A 0.0000
510 K A -0.8398
511 M A 0.0000
512 L A 0.0000
513 P A 0.0000
514 S A 0.0000
515 F A -0.4806
516 V A 0.0000
517 R A -2.9015
518 R A -3.0137
519 T A -1.7760
520 P A -1.5693
521 D A -1.6253
522 G A -1.5315
523 T A -1.1747
524 E A 0.0000
525 N A -2.0189
526 G A -1.2862
527 D A -1.1421
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 -0.8797
536 T A -0.7717
537 N A -1.1717
538 F A 0.0000
539 R A -0.9526
540 V A 0.0000
541 L A 0.0000
542 L A 0.0000
543 V A 0.0000
544 K A -1.3546
545 I A 0.0000
546 R A -2.7286
547 S A -2.4763
548 G A -2.5547
549 K A -3.1661
550 K A -3.3804
551 R A -2.9369
552 T A -1.9414
553 V A -1.2086
554 E A -1.5586
555 M A -0.7824
556 H A -0.5370
557 N A -0.5613
558 K A 0.0000
559 I A 0.0000
560 Y A 0.0000
561 A A 0.0312
562 I A 0.3709
563 P A 0.3691
564 I A 0.9742
565 E A -1.1396
566 I A -0.8677
567 M A -0.2958
568 Q A -1.1468
569 G A -1.4845
570 T A -2.0907
571 G A 0.0000
572 E A -3.1815
573 E A -2.7991
574 L A 0.0000
575 F A 0.0000
576 D A -2.2903
577 H A -1.0958
578 I A 0.0000
579 V A 0.0000
580 S A -0.8009
581 C A 0.0000
582 I A 0.0000
583 S A 0.0000
584 D A -1.4533
585 F A 0.0000
586 L A 0.0000
587 D A -1.3405
588 Y A 0.0000
589 M A -0.6849
590 G A -0.9083
591 I A -0.6685
592 K A -2.0025
593 G A -1.8107
594 P A -1.8396
595 R A -2.6893
596 M A 0.0000
597 P A -0.6957
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 -0.2792
604 F A 0.0000
605 P A 0.0000
606 C A -0.1687
607 Q A -0.9016
608 Q A -0.7017
609 T A -0.4044
610 S A -0.4959
611 L A -0.2989
612 D A -1.1254
613 A A -0.7487
614 G A 0.0000
615 I A 0.2754
616 L A 0.0000
617 I A 0.5201
618 T A 0.4003
619 W A 0.0000
620 T A 0.0000
621 K A -0.3128
622 G A -0.0935
623 F A 0.0000
624 K A -1.1604
625 A A 0.0000
626 T A -1.4775
627 D A -1.9946
628 C A 0.0000
629 V A 0.6792
630 G A -0.1552
631 H A -0.3857
632 D A -0.4755
633 V A 0.0000
634 V A 0.0000
635 T A -1.3600
636 L A -1.5851
637 L A 0.0000
638 R A -3.5556
639 D A -4.2987
640 A A -3.7056
641 I A 0.0000
642 K A -4.9038
643 R A -4.4849
644 R A -3.7010
645 E A -4.0719
646 E A -2.7495
647 F A -2.5519
648 D A -3.5464
649 L A -1.9611
650 D A -1.0945
651 V A -0.7794
652 V A 0.0000
653 A A 0.0000
654 V A 0.0000
655 V A 0.0000
656 N A -0.2619
657 D A -0.3727
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 -1.2150
668 E A -2.1145
669 E A -1.4841
670 P A -1.1762
671 T A -0.8835
672 C A 0.0000
673 E A -0.6899
674 V A 0.0000
675 G A 0.0000
676 L A 0.0000
677 I A -0.0252
678 V A 0.0000
679 G A 0.0000
680 T A -0.0528
681 G A 0.0000
682 S A 0.0000
683 N A -0.1680
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 -1.8671
690 M A 0.0000
691 K A -3.1029
692 N A -2.0209
693 V A 0.0000
694 E A -2.4067
695 M A -1.4204
696 V A -1.4002
697 E A -2.5635
698 G A -2.7426
699 D A -3.7265
700 Q A -3.0750
701 G A -2.4761
702 Q A -2.3530
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 -0.2953
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 -1.4734
715 N A -1.8940
716 G A -1.6489
717 C A -1.1884
718 L A 0.0000
719 D A -2.6021
720 D A -2.3687
721 I A -1.3485
722 R A 0.0000
723 T A -1.3304
724 H A -1.3381
725 Y A 0.0000
726 D A 0.0000
727 R A -1.6267
728 L A -0.7423
729 V A 0.0000
730 D A 0.0000
731 E A -1.3498
732 Y A 0.4890
733 S A 0.1583
734 L A 0.3387
735 N A -0.4522
736 A A -0.6452
737 G A -1.2007
738 K A -1.4820
739 Q A -0.8738
740 R A -1.2672
741 Y A 0.0000
742 E A 0.0000
743 K A 0.0000
744 M A 0.0000
745 I A 0.0000
746 S A 0.0000
747 G A -0.2775
748 M A -0.0355
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739 Q B 0.0000
740 R B -1.4754
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 -0.4552
748 M B -0.0980
749 Y B 0.0000
750 L B 0.0000
751 G B 0.0000
752 E B -0.8646
753 I B 0.0000
754 V B 0.0000
755 R B 0.0000
756 N B -0.6764
757 I B 0.0000
758 L B 0.0000
759 I B -0.9696
760 D B -1.1721
761 F B 0.0000
762 T B 0.0000
763 K B -3.0738
764 K B -3.2275
765 G B -2.5144
766 F B -1.6741
767 L B 0.0000
768 F B 0.0000
769 R B -2.8248
770 G B -2.5931
771 Q B -2.4109
772 I B -1.3563
773 S B -1.5914
774 E B -2.5130
775 T B -1.7050
776 L B 0.0000
777 K B -2.7498
778 T B -2.3199
779 R B -2.6953
780 G B -1.8774
781 I B -1.2877
782 F B 0.0000
783 E B -2.5594
784 T B -1.4889
785 K B -2.0785
786 F B 0.0000
787 L B 0.0000
788 S B -1.0584
789 Q B -1.1260
790 I B 0.0000
791 E B 0.0000
792 S B -1.5662
793 D B -2.7436
794 R B -3.0333
795 L B -1.5854
796 A B -0.9577
797 L B -0.0541
798 L B 0.0961
799 Q B 0.0000
800 V B 0.0000
801 R B -0.6190
802 A B -0.4271
803 I B -0.4498
804 L B 0.0000
805 Q B -1.6905
806 Q B -1.6062
807 L B -0.7271
808 G B -1.3195
809 L B 0.0000
810 N B -2.0838
811 S B -1.3437
812 T B -1.3000
813 C B 0.0000
814 D B -1.6915
815 D B 0.0000
816 S B 0.0000
817 I B 0.3983
818 L B 0.1828
819 V B 0.0000
820 K B -0.1481
821 T B 0.1076
822 V B 0.0000
823 C B 0.0000
824 G B 0.0000
825 V B -0.5396
826 V B 0.0000
827 S B 0.0000
828 R B -1.1479
829 R B 0.0000
830 A B 0.0000
831 A B 0.0000
832 Q B -0.9176
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 -1.4509
844 K B -1.2218
845 I B 0.0000
846 R B -2.4526
847 E B -2.8714
848 N B -1.7768
849 R B -1.8689
850 G B -1.9642
851 L B -2.1384
852 D B -3.1569
853 R B -3.8160
854 L B 0.0000
855 N B -2.2392
856 V B 0.0000
857 T B -0.4957
858 V B 0.0000
859 G B 0.0000
860 V B 0.0000
861 D B -0.6905
862 G B -0.3863
863 T B -0.5632
864 L B 0.0000
865 Y B 0.0000
866 K B -1.0104
867 L B 0.1471
868 H B 0.0000
869 P B -0.9104
870 H B -1.0991
871 F B 0.0000
872 S B -1.3455
873 R B -2.1909
874 I B -1.4950
875 M B 0.0000
876 H B -1.9509
877 Q B -2.6919
878 T B 0.0000
879 V B 0.0000
880 K B -3.2910
881 E B -2.9357
882 L B 0.0000
883 S B 0.0000
884 P B -2.1799
885 K B -3.0013
886 C B 0.0000
887 N B -2.6372
888 V B -1.2239
889 S B -0.2782
890 F B 0.5589
891 L B 0.4908
892 L B -0.0593
893 S B 0.0000
894 E B -1.8426
895 D B -1.7729
896 G B -1.0047
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 -0.2490
908 G B 0.0000
909 V B -0.4071
910 R B -0.8743
911 L B -0.1717
912 R B -1.7691
913 T B -1.4774
914 E B -2.0382
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Laboratory of Theory of Biopolymers 2018