Project name: A subgroup

Status: done

Started: 2023-09-27 02:32:19
Settings
Chain sequence(s) A: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKELKCNGTDAKVKLIKQELDKYKNAYTELQLLMQSTPAANSRARRELPRFMNYTLNNTKNTNVTLSKKRKRRFLGFLLGVGSAIASGIAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTIKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSSNVQIVRQQSYSIFSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNIDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSSEFDASISQVNEKINQSLAFIRKSDELLGSGYIPEAPRDGQAYVRKDGEWVFLSTFL
C: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKELKCNGTDAKVKLIKQELDKYKNAYTELQLLMQSTPAANSRARRELPRFMNYTLNNTKNTNVTLSKKRKRRFLGFLLGVGSAIASGIAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTIKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSSNVQIVRQQSYSIFSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNIDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSSEFDASISQVNEKINQSLAFIRKSDELLGSGYIPEAPRDGQAYVRKDGEWVFLSTFL
B: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKELKCNGTDAKVKLIKQELDKYKNAYTELQLLMQSTPAANSRARRELPRFMNYTLNNTKNTNVTLSKKRKRRFLGFLLGVGSAIASGIAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTIKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSSNVQIVRQQSYSIFSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNIDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSSEFDASISQVNEKINQSLAFIRKSDELLGSGYIPEAPRDGQAYVRKDGEWVFLSTFL
input PDB
Selected Chain(s) A,C,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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:35:42)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:35:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:36:05)
Show buried residues

Minimal score value
-4.0298
Maximal score value
2.4911
Average score
-0.5903
Total score value
-915.6143

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 Q A -2.6411
2 N A -2.6681
3 I A 0.0000
4 T A -1.5536
5 E A 0.0000
6 E A 0.1802
7 F A 0.0000
8 Y A 0.0302
9 Q A -1.1211
10 S A -1.1789
11 T A 0.0000
12 C A 0.0000
13 S A 0.0000
14 A A 0.0000
15 V A 0.0000
16 S A 0.0000
17 K A -0.9341
18 G A -1.1583
19 Y A 0.0000
20 L A -0.5673
21 S A 0.0000
22 A A 0.0000
23 L A 0.0000
24 R A 0.0000
25 T A 0.0142
26 G A 0.0000
27 W A 0.0000
28 Y A 0.2047
29 T A 0.0768
30 S A 0.0000
31 V A 0.0000
32 I A 0.0000
33 T A 0.0000
34 I A 0.0000
35 E A -1.5899
36 L A 0.0000
37 S A 0.0000
38 N A -2.6058
39 I A -2.0757
40 K A -3.1957
41 E A -3.5606
42 L A 0.0000
43 K A -3.7396
44 C A 0.0000
45 N A -2.7556
46 G A -2.0257
47 T A -1.1905
48 D A -1.3595
49 A A -1.2265
50 K A -1.4323
51 V A 0.0000
52 K A -2.4018
53 L A -1.6041
54 I A 0.0000
55 K A -2.0740
56 Q A -2.2200
57 E A 0.0000
58 L A 0.0000
59 D A -3.0866
60 K A -2.0566
61 Y A 0.0000
62 K A -2.1966
63 N A -1.9317
64 A A 0.0000
65 Y A -0.8464
66 T A -0.7207
67 E A -0.7348
68 L A 0.0000
69 Q A -0.9697
70 L A -0.4500
71 L A 0.0000
72 M A -0.7123
73 Q A -1.2019
74 S A -0.6606
75 T A -0.5684
76 P A -0.2810
77 A A -0.0201
78 A A 0.0289
79 N A -0.0337
80 S A 0.0000
81 R A -0.2495
82 A A 0.0000
83 R A 0.0000
84 R A 0.0000
85 E A 0.0000
86 L A 0.0000
87 P A 0.0000
88 R A 0.0000
89 F A 0.0000
90 M A 0.0000
91 N A 0.0000
92 Y A 0.0000
93 T A 0.0000
94 L A 0.0085
95 N A 0.0000
96 N A 0.0000
97 T A 0.0000
98 K A 0.0000
99 N A 0.0000
100 T A 0.0000
101 N A -0.0998
102 V A 0.0000
103 T A 0.0000
104 L A -0.0666
105 S A 0.0000
106 K A -1.4108
107 K A -1.1370
108 R A 0.0000
109 K A 0.0000
110 R A 0.0000
111 R A 0.0000
112 F A 0.0000
113 L A 0.0000
114 G A 0.0000
115 F A 0.0000
116 L A 0.1049
117 L A 0.0000
118 G A 0.0000
119 V A 0.0000
120 G A 0.0000
121 S A 0.0000
122 A A 0.0000
123 I A 0.0000
124 A A 0.0000
125 S A -0.0541
126 G A 0.0000
127 I A -0.3024
128 A A -0.8693
129 V A 0.0000
130 S A 0.0000
131 K A -1.7357
132 V A 0.0000
133 L A 0.0000
134 H A -1.1845
135 L A -0.7140
136 E A -1.9064
137 G A -1.6651
138 E A 0.0000
139 V A 0.0000
140 N A -2.6352
141 K A -1.7408
142 I A 0.0000
143 K A -1.5110
144 S A -0.5549
145 A A -0.1596
146 L A 0.0000
147 L A 0.9398
148 S A 0.1690
149 T A -0.3589
150 N A -0.9345
151 K A -0.9864
152 A A 0.3233
153 V A 1.3291
154 V A 0.0000
155 S A -0.2481
156 L A 0.0000
157 S A -1.1301
158 N A -1.6817
159 G A -1.4424
160 V A -0.5373
161 S A -0.0022
162 V A 0.0000
163 L A 0.0000
164 T A 0.0000
165 I A 0.0000
166 K A -0.5816
167 V A -0.2334
168 L A -0.4406
169 D A -1.0203
170 L A 0.0000
171 K A -2.2701
172 N A -2.0912
173 Y A -1.6478
174 I A 0.0000
175 D A -2.4531
176 K A -2.6846
177 Q A -1.8173
178 L A 0.0000
179 L A -1.2938
180 P A -1.1111
181 I A -0.5721
182 V A 0.0000
183 N A -2.8424
184 K A -3.3320
185 Q A -3.2134
186 S A -2.0048
187 C A 0.0000
188 S A -1.1446
189 I A 0.0000
190 S A -0.7128
191 N A -1.0327
192 I A 0.0000
193 E A 0.0000
194 T A -0.5645
195 V A 0.0000
196 I A 0.0000
197 E A -1.0110
198 F A 0.0000
199 Q A -0.9558
200 Q A -1.3076
201 K A -1.2786
202 N A 0.0000
203 N A -1.2929
204 R A -0.8159
205 L A 0.0000
206 L A -0.6294
207 E A -0.5288
208 I A 0.0000
209 T A 0.0000
210 R A -0.5933
211 E A -0.4397
212 F A 0.0000
213 S A 0.0000
214 V A -0.1761
215 N A -0.2323
216 A A -0.0296
217 G A 0.0000
218 V A 0.1288
219 T A 0.0000
220 T A -0.1702
221 P A -0.1952
222 V A 0.0000
223 S A 0.0000
224 T A -0.0632
225 Y A -0.0039
226 M A 0.0000
227 L A 0.0000
228 T A -0.1742
229 N A -0.3209
230 S A -0.3931
231 E A -0.4294
232 L A 0.0000
233 L A -0.4791
234 S A -0.9862
235 L A 0.0000
236 I A 0.0000
237 N A -2.6015
238 D A -2.3603
239 M A 0.0000
240 P A -0.9392
241 I A -1.0050
242 T A -1.7389
243 N A -2.9269
244 D A -3.3310
245 Q A -2.2317
246 K A -2.7739
247 K A -3.1044
248 L A 0.0000
249 M A 0.0000
250 S A -1.1086
251 S A -0.8662
252 N A -0.6339
253 V A 0.0000
254 Q A 0.0000
255 I A 0.0000
256 V A 0.0000
257 R A 0.0000
258 Q A -0.2561
259 Q A -0.2549
260 S A 0.0000
261 Y A 0.0000
262 S A 0.0000
263 I A 0.0000
264 F A 0.0000
265 S A 0.0000
266 I A 0.0000
267 I A 0.0000
268 K A -2.6362
269 E A -3.3569
270 E A -2.7896
271 V A 0.0000
272 L A 0.0000
273 A A 0.0000
274 Y A 0.0000
275 V A 0.0000
276 V A 0.0000
277 Q A 0.0000
278 L A 0.0000
279 P A 0.0000
280 L A 0.2504
281 Y A 0.0000
282 G A -0.3696
283 V A -0.2369
284 I A -0.9021
285 D A -1.7830
286 T A -0.9581
287 P A -0.8618
288 C A 0.0000
289 W A 0.0000
290 K A 0.0000
291 L A 0.0000
292 H A 0.0000
293 T A 0.0000
294 S A 0.0000
295 P A -0.0809
296 L A 0.0000
297 C A 0.0000
298 T A -0.9390
299 T A -1.7612
300 N A -2.5050
301 T A -2.2148
302 K A -3.2378
303 E A -3.6011
304 G A -2.2114
305 S A -1.6311
306 N A 0.0000
307 I A 0.0000
308 C A 0.0000
309 L A 0.0000
310 T A 0.0000
311 R A 0.0000
312 T A 0.0000
313 D A 0.0000
314 R A 0.0000
315 G A 0.0000
316 W A 0.0000
317 Y A 0.0000
318 C A 0.0000
319 D A -1.0481
320 N A 0.0000
321 A A -0.3797
322 G A -0.7119
323 S A -0.7387
324 V A 0.0000
325 S A 0.0000
326 F A 0.0000
327 F A 0.0000
328 P A 0.0000
329 Q A 0.0000
330 A A 0.0000
331 E A 0.0000
332 T A 0.0000
333 C A 0.0000
334 K A 0.0000
335 V A -0.0259
336 Q A 0.0000
337 S A -0.6138
338 N A -0.8733
339 R A -0.5284
340 V A 0.0000
341 F A 0.0000
342 C A 0.0000
343 D A 0.0000
344 T A 0.0000
345 M A 0.0000
346 N A 0.0000
347 S A 0.0000
348 L A 0.0000
349 T A -0.4361
350 L A 0.0000
351 P A -1.0264
352 S A -0.9582
353 E A -1.4870
354 V A 0.0000
355 N A -0.4177
356 L A -0.0771
357 C A 0.0000
358 N A 0.0000
359 I A 1.6029
360 D A 0.1968
361 I A 0.0000
362 F A 0.5911
363 N A -0.3796
364 P A -1.0188
365 K A -2.0788
366 Y A -1.4658
367 D A -0.9288
368 C A 0.0000
369 K A 0.0000
370 I A 0.0000
371 M A 0.0000
372 T A 0.0000
373 S A 0.0000
374 K A -0.6265
375 T A -0.3972
376 D A -0.8666
377 V A -0.3249
378 S A 0.0000
379 S A 0.0000
380 S A 0.0000
381 V A 0.0000
382 I A 0.0000
383 T A 0.0000
384 S A 0.0000
385 L A 0.0000
386 G A 0.0000
387 A A 0.0000
388 I A 0.0000
389 V A 0.0000
390 S A 0.0000
391 C A 0.0000
392 Y A 0.0000
393 G A -2.5617
394 K A -2.5298
395 T A -2.0481
396 K A -2.3921
397 C A 0.0000
398 T A 0.0000
399 A A 0.0000
400 S A -0.4616
401 N A -2.0127
402 K A -2.9410
403 N A -2.9571
404 R A -2.5438
405 G A -1.1151
406 I A 0.8651
407 I A 0.0780
408 K A -0.3533
409 T A -0.4737
410 F A -0.8837
411 S A -1.3340
412 N A -1.9093
413 G A -0.8878
414 C A -0.5612
415 D A -0.7418
416 Y A 0.0000
417 V A 0.0000
418 S A -0.8476
419 N A 0.0000
420 K A -2.6229
421 G A -1.8173
422 V A 0.0000
423 D A -1.2318
424 T A -0.1616
425 V A 0.0000
426 S A -0.0202
427 V A 0.0000
428 G A -0.9687
429 N A -0.5493
430 T A 0.0000
431 L A 0.3087
432 Y A 0.0000
433 Y A 0.1099
434 V A 0.0000
435 N A 0.0000
436 K A -1.6864
437 Q A -2.2905
438 E A -3.3965
439 G A -3.1024
440 K A -2.6173
441 S A -0.6808
442 L A 0.9631
443 Y A 0.7125
444 V A 0.1835
445 K A -1.6719
446 G A -1.7706
447 E A -2.2777
448 P A -1.2616
449 I A 0.0000
450 I A 0.0000
451 N A -0.8802
452 F A 0.7528
453 Y A -0.0289
454 D A -1.0189
455 P A -0.1711
456 L A 0.9886
457 V A 0.3266
458 F A 0.0000
459 P A -0.1393
460 S A 0.0000
461 S A 0.0000
462 E A 0.0000
463 F A 0.0000
464 D A 0.0000
465 A A 0.0000
466 S A 0.0000
467 I A 0.0000
468 S A -0.9652
469 Q A 0.0000
470 V A 0.0000
471 N A -2.0677
472 E A -2.9263
473 K A -2.1015
474 I A -1.4761
475 N A -1.9990
476 Q A -1.5519
477 S A -0.3106
478 L A -0.2705
479 A A -0.5533
480 F A 0.3261
481 I A -0.2313
482 R A -2.3249
483 K A -2.1058
484 S A -1.4851
485 D A -2.8258
486 E A -2.9707
487 L A 0.0000
488 L A -0.7906
489 G A -1.1775
490 S A -0.7325
491 G A -0.5236
492 Y A -0.1148
493 I A 0.0000
494 P A -0.7826
495 E A -1.3771
496 A A 0.0000
497 P A -2.1541
498 R A -4.0298
499 D A -3.5194
500 G A -2.6095
501 Q A -2.0112
502 A A 0.0000
503 Y A 0.0000
504 V A 0.0000
505 R A 0.0000
506 K A -2.2927
507 D A -3.4650
508 G A -2.5477
509 E A -2.5658
510 W A 0.0000
511 V A -0.0451
512 F A 0.8397
513 L A 0.0000
514 S A 0.7948
515 T A 0.9075
516 F A 1.6742
517 L A 2.4275
1 Q B -2.5951
2 N B -2.6903
3 I B 0.0000
4 T B -1.5591
5 E B 0.0000
6 E B 0.2405
7 F B 0.0000
8 Y B 0.0554
9 Q B -1.1051
10 S B -1.1667
11 T B 0.0000
12 C B 0.0000
13 S B 0.0000
14 A B 0.0000
15 V B 0.0000
16 S B 0.0000
17 K B -1.1067
18 G B -1.2378
19 Y B 0.0000
20 L B -0.5498
21 S B 0.0000
22 A B 0.0000
23 L B 0.0000
24 R B 0.0000
25 T B -0.0418
26 G B 0.0000
27 W B 0.0000
28 Y B 0.2022
29 T B 0.0925
30 S B 0.0000
31 V B 0.0000
32 I B 0.0000
33 T B 0.0000
34 I B 0.0000
35 E B -1.3161
36 L B 0.0000
37 S B 0.0000
38 N B -2.3459
39 I B -1.9619
40 K B -3.1600
41 E B -3.5074
42 L B 0.0000
43 K B -3.7117
44 C B 0.0000
45 N B -2.7410
46 G B -2.0074
47 T B -1.1674
48 D B -1.3172
49 A B -1.1839
50 K B -1.4172
51 V B 0.0000
52 K B -2.3330
53 L B -1.4624
54 I B 0.0000
55 K B -1.8622
56 Q B -1.8695
57 E B 0.0000
58 L B 0.0000
59 D B -2.5825
60 K B -1.7029
61 Y B 0.0000
62 K B -2.0138
63 N B -1.7693
64 A B 0.0000
65 Y B -0.7932
66 T B -0.7074
67 E B -0.7626
68 L B 0.0000
69 Q B -0.9346
70 L B -0.4676
71 L B 0.0000
72 M B -0.6911
73 Q B -1.2058
74 S B -0.6350
75 T B -0.4956
76 P B -0.2710
77 A B 0.0494
78 A B 0.0808
79 N B 0.0000
80 S B 0.0000
81 R B -0.3264
82 A B 0.0000
83 R B 0.0000
84 R B 0.0000
85 E B 0.0000
86 L B 0.0000
87 P B 0.0000
88 R B 0.0000
89 F B 0.0000
90 M B 0.0000
91 N B 0.0000
92 Y B 0.0000
93 T B 0.0000
94 L B 0.0000
95 N B 0.0000
96 N B 0.0000
97 T B 0.0000
98 K B 0.0000
99 N B 0.0000
100 T B 0.0000
101 N B -0.1452
102 V B 0.0000
103 T B 0.0000
104 L B 0.1252
105 S B 0.0000
106 K B -1.5893
107 K B -1.1887
108 R B 0.0000
109 K B 0.0000
110 R B 0.0000
111 R B 0.0000
112 F B 0.0000
113 L B 0.0000
114 G B 0.0000
115 F B 0.0000
116 L B 0.0000
117 L B 0.0000
118 G B 0.0000
119 V B 0.0000
120 G B 0.0000
121 S B -0.0846
122 A B 0.0000
123 I B 0.0000
124 A B 0.0000
125 S B -0.0732
126 G B 0.0000
127 I B -0.3042
128 A B -0.7423
129 V B 0.0000
130 S B 0.0000
131 K B -1.6673
132 V B -0.9474
133 L B 0.0000
134 H B -1.1113
135 L B -0.6181
136 E B -1.7862
137 G B -1.4370
138 E B 0.0000
139 V B 0.0000
140 N B -1.9440
141 K B -1.4811
142 I B 0.0000
143 K B -0.9809
144 S B -0.3653
145 A B -0.0356
146 L B 0.0000
147 L B 0.9423
148 S B 0.1405
149 T B -0.4665
150 N B -1.2550
151 K B -0.6720
152 A B 0.4737
153 V B 1.6291
154 V B 0.0000
155 S B -0.2181
156 L B 0.0000
157 S B -0.9788
158 N B -1.4177
159 G B -1.3306
160 V B -0.4526
161 S B 0.0281
162 V B 0.0000
163 L B 0.0000
164 T B 0.0000
165 I B 0.0000
166 K B -0.6724
167 V B -0.3519
168 L B 0.0000
169 D B -1.1088
170 L B 0.0000
171 K B -1.9282
172 N B -1.9474
173 Y B -1.5033
174 I B 0.0000
175 D B -2.0453
176 K B -2.4918
177 Q B -1.7116
178 L B 0.0000
179 L B -1.1360
180 P B -1.0149
181 I B -0.5173
182 V B 0.0000
183 N B -2.7397
184 K B -3.2966
185 Q B -3.1922
186 S B -1.9900
187 C B 0.0000
188 S B -1.1445
189 I B 0.0000
190 S B -0.7515
191 N B -1.1047
192 I B 0.0000
193 E B 0.0000
194 T B -0.6677
195 V B 0.0000
196 I B 0.0000
197 E B -1.2729
198 F B 0.0000
199 Q B -0.9667
200 Q B -1.2866
201 K B -1.2356
202 N B 0.0000
203 N B -1.1665
204 R B -0.8047
205 L B 0.0000
206 L B -0.6864
207 E B -0.7142
208 I B 0.0000
209 T B 0.0000
210 R B -0.8777
211 E B -0.6368
212 F B 0.0000
213 S B 0.0000
214 V B 0.0000
215 N B -0.4797
216 A B 0.0000
217 G B 0.0000
218 V B 0.0000
219 T B 0.0000
220 T B -0.1367
221 P B -0.1604
222 V B 0.0000
223 S B -0.1173
224 T B -0.0794
225 Y B 0.0065
226 M B 0.0000
227 L B 0.0000
228 T B -0.1996
229 N B -0.4244
230 S B -0.4580
231 E B -0.4062
232 L B 0.0000
233 L B -0.4651
234 S B -0.9227
235 L B 0.0000
236 I B 0.0000
237 N B -2.5664
238 D B -2.3884
239 M B 0.0000
240 P B -0.9203
241 I B -0.9988
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55 K C -2.0280
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107 K C -1.6562
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127 I C -0.0903
128 A C -0.3141
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130 S C 0.0000
131 K C -0.6789
132 V C -0.5102
133 L C 0.0000
134 H C -0.8488
135 L C -0.1950
136 E C -1.6729
137 G C -1.3787
138 E C 0.0000
139 V C 0.0000
140 N C -1.9269
141 K C -1.4801
142 I C 0.0000
143 K C -1.1242
144 S C -0.3355
145 A C -0.0161
146 L C 0.0000
147 L C 0.9404
148 S C 0.1581
149 T C -0.4274
150 N C -1.1608
151 K C -0.6459
152 A C 0.4831
153 V C 1.4643
154 V C 0.0000
155 S C -0.2709
156 L C 0.0000
157 S C -1.0670
158 N C -1.6638
159 G C -1.4537
160 V C -0.5296
161 S C -0.0075
162 V C 0.0000
163 L C 0.0000
164 T C 0.0000
165 I C 0.0000
166 K C -0.6988
167 V C -0.2893
168 L C -0.5025
169 D C -1.0624
170 L C 0.0000
171 K C -2.2385
172 N C -2.1435
173 Y C -1.6749
174 I C 0.0000
175 D C -2.5354
176 K C -2.7359
177 Q C -1.8447
178 L C 0.0000
179 L C -1.3236
180 P C -1.1362
181 I C -0.5960
182 V C 0.0000
183 N C -2.8197
184 K C -3.3112
185 Q C -3.2045
186 S C -1.9923
187 C C 0.0000
188 S C -1.2516
189 I C 0.0000
190 S C -0.6977
191 N C -1.0009
192 I C 0.0000
193 E C 0.0000
194 T C -0.5789
195 V C 0.0000
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197 E C -1.1559
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199 Q C -1.0139
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286 T C -0.9427
287 P C -0.8297
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299 T C -1.7227
300 N C -2.4074
301 T C -2.1635
302 K C -3.1829
303 E C -3.4888
304 G C -2.0089
305 S C -1.5386
306 N C 0.0000
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310 T C 0.0000
311 R C 0.0000
312 T C 0.0000
313 D C 0.0000
314 R C 0.0000
315 G C 0.0000
316 W C 0.0000
317 Y C 0.0000
318 C C 0.0000
319 D C -1.0201
320 N C 0.0000
321 A C -0.3792
322 G C -0.6988
323 S C -0.7087
324 V C 0.0000
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332 T C -0.0886
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352 S C -0.8568
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355 N C -0.3157
356 L C -0.0768
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359 I C 1.6146
360 D C 0.1651
361 I C 0.0000
362 F C 0.5240
363 N C -0.4372
364 P C -1.0591
365 K C -2.1063
366 Y C -1.4915
367 D C -1.0189
368 C C 0.0000
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376 D C -0.7940
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393 G C -2.5457
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404 R C -2.4487
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406 I C 1.0755
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475 N C -2.2717
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483 K C -1.9954
484 S C -1.7395
485 D C -3.2569
486 E C -3.0918
487 L C 0.0000
488 L C -1.5289
489 G C -1.4832
490 S C -0.8986
491 G C -0.7072
492 Y C -0.2591
493 I C 0.0000
494 P C -0.7460
495 E C -1.2754
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497 P C -2.0195
498 R C -3.8878
499 D C -3.3997
500 G C -2.4228
501 Q C -1.8756
502 A C 0.0000
503 Y C 0.0000
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506 K C -2.4858
507 D C -3.6639
508 G C -2.6543
509 E C -2.6288
510 W C 0.0000
511 V C -0.0368
512 F C 1.0573
513 L C 0.0000
514 S C 0.8777
515 T C 0.9912
516 F C 1.7418
517 L C 2.4911
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Laboratory of Theory of Biopolymers 2018