Project name: 4ef886ae8fb6122

Status: done

Started: 2024-06-11 23:25:33
Settings
Chain sequence(s) A: DIVLTQSPSSLSASLGDTITITCHASQNINVWLSWYQQKPGNIPKLLIYKASNLHTGVPSRFSGSGSGTGFTLTISSLQPEDIATYYCQQGQSYPLTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC
C: DIVLTQSPSSLSASLGDTITITCHASQNINVWLSWYQQKPGNIPKLLIYKASNLHTGVPSRFSGSGSGTGFTLTISSLQPEDIATYYCQQGQSYPLTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC
B: EVKLQESGGGLVQPGGSLKLSCATSGFTFSDYYMYWVRQTPEKRLEWVAYISNGGGSTYYPDTVKGRFTISRDNAKNTLYLQMSRLKSEDTAMYYCARHGGYYAMDYWGQGTTVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGPTIKPCPPCKCPAPNLLGGPSVFIFPPKIKDVLMISLSPIVTCVVVDVSEDDPDVQISWFVNNVEVHTAQTQTHREDYNSTLRVVSALPIQHQDWMSGKEFKCKVNNKDLPAPIERTISKPKGSVRAPQVYVLPPPEEEMTKKQVTLTCMVTDFMPEDIYVEWTNNGKTELNYKNTEPVLDSDGSYFMYSKLRVEKKNWVERNSYSCSVVHEGLHNHHTTKSFSR
D: EVKLQESGGGLVQPGGSLKLSCATSGFTFSDYYMYWVRQTPEKRLEWVAYISNGGGSTYYPDTVKGRFTISRDNAKNTLYLQMSRLKSEDTAMYYCARHGGYYAMDYWGQGTTVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGPTIKPCPPCKCPAPNLLGGPSVFIFPPKIKDVLMISLSPIVTCVVVDVSEDDPDVQISWFVNNVEVHTAQTQTHREDYNSTLRVVSALPIQHQDWMSGKEFKCKVNNKDLPAPIERTISKPKGSVRAPQVYVLPPPEEEMTKKQVTLTCMVTDFMPEDIYVEWTNNGKTELNYKNTEPVLDSDGSYFMYSKLRVEKKNWVERNSYSCSVVHEGLHNHHTTKSFSR
input PDB
Selected Chain(s) A,C,B,D
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:49)
Show buried residues

Minimal score value
-4.3544
Maximal score value
1.7555
Average score
-0.8349
Total score value
-1098.6732

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 D A -1.6620
2 I A 0.0000
3 V A 0.9107
4 L A 0.0000
5 T A -0.0391
6 Q A 0.0000
7 S A -0.4598
8 P A -0.3992
9 S A -0.6119
10 S A -0.6514
11 L A -0.3084
12 S A -0.5106
13 A A -0.5628
14 S A -0.5512
15 L A 0.3360
16 G A -0.4098
17 D A -0.8275
18 T A -0.4644
19 I A -0.1746
20 T A -0.0088
21 I A 0.0000
22 T A -0.3193
23 C A 0.0000
24 H A -0.8106
25 A A -0.6176
26 S A -0.9611
27 Q A -2.1133
28 N A -2.3243
29 I A 0.0000
30 N A -1.5524
31 V A -0.4633
32 W A 0.0723
33 L A 0.0000
34 S A 0.0000
35 W A 0.0000
36 Y A 0.0000
37 Q A 0.0000
38 Q A -1.5362
39 K A -2.4617
40 P A -1.7049
41 G A -1.4316
42 N A -2.1427
43 I A -1.2001
44 P A 0.0000
45 K A -1.7493
46 L A 0.0000
47 L A 0.0000
48 I A 0.0000
49 Y A 0.2753
50 K A -0.1588
51 A A 0.0000
52 S A -0.3963
53 N A -0.3951
54 L A 0.0966
55 H A -0.3926
56 T A -0.3349
57 G A -0.5167
58 V A 0.0000
59 P A -0.3971
60 S A -0.3989
61 R A -0.5869
62 F A 0.0000
63 S A -0.3019
64 G A 0.0000
65 S A -0.5683
66 G A -0.7953
67 S A -0.9161
68 G A -1.2819
69 T A -1.2939
70 G A -0.9079
71 F A 0.0000
72 T A -0.3949
73 L A 0.0000
74 T A -0.1409
75 I A 0.0000
76 S A -0.5465
77 S A -0.5978
78 L A 0.0000
79 Q A -1.2382
80 P A -1.3112
81 E A -2.3225
82 D A 0.0000
83 I A -1.0997
84 A A 0.0000
85 T A -1.0591
86 Y A 0.0000
87 Y A 0.0000
88 C A 0.0000
89 Q A 0.0000
90 Q A 0.0000
91 G A 0.0000
92 Q A -0.7618
93 S A -0.6131
94 Y A -0.2188
95 P A -0.4757
96 L A 0.0000
97 T A 0.0000
98 F A 0.0000
99 G A 0.0000
100 G A -0.7812
101 G A -0.9796
102 T A 0.0000
103 K A -1.2094
104 L A 0.0000
105 E A -1.0810
106 I A -0.6936
107 K A -1.7951
108 R A -1.9846
109 A A -1.5470
110 D A -2.5716
111 A A -1.2830
112 A A -0.6320
113 P A 0.0000
114 T A -0.1195
115 V A 0.0000
116 S A -0.0200
117 I A 0.0000
118 F A 0.0000
119 P A 0.0000
120 P A 0.0000
121 S A 0.0000
122 S A -1.0286
123 E A -1.9042
124 Q A 0.0000
125 L A -0.8784
126 T A -0.8177
127 S A -0.8237
128 G A -0.9858
129 G A -1.0207
130 A A 0.0000
131 S A 0.0000
132 V A 0.0000
133 V A 0.0000
134 C A 0.0000
135 F A 0.0000
136 L A 0.0000
137 N A 0.0000
138 N A -0.9222
139 F A 0.0000
140 Y A 0.0000
141 P A -2.3184
142 K A -2.7478
143 D A -2.8410
144 I A -1.8958
145 N A -1.8301
146 V A -0.7785
147 K A -1.8938
148 W A 0.0000
149 K A -2.4659
150 I A 0.0000
151 D A -2.4014
152 G A -1.7632
153 S A -2.0578
154 E A -3.3845
155 R A -3.8144
156 Q A -2.8513
157 N A -2.2120
158 G A -1.2167
159 V A -0.5518
160 L A 0.0000
161 N A -0.4424
162 S A -0.1589
163 W A -0.4656
164 T A -1.1734
165 D A -2.3581
166 Q A -2.1901
167 D A -2.5703
168 S A -2.2809
169 K A -2.6092
170 D A -2.3420
171 S A -2.2304
172 T A 0.0000
173 Y A 0.0000
174 S A 0.0000
175 M A 0.0000
176 S A 0.0000
177 S A 0.0000
178 T A 0.0000
179 L A 0.0000
180 T A -0.1826
181 L A -0.9329
182 T A -1.6295
183 K A -2.6512
184 D A -3.8783
185 E A -3.6085
186 Y A 0.0000
187 E A -4.3544
188 R A -4.1272
189 H A -3.3843
190 N A -3.4136
191 S A -1.9710
192 Y A 0.0000
193 T A 0.0000
194 C A 0.0000
195 E A -0.5499
196 A A 0.0000
197 T A -0.9754
198 H A 0.0000
199 K A -2.4811
200 T A -1.3104
201 S A -0.6874
202 T A -0.5715
203 S A -0.3099
204 P A -0.2409
205 I A 0.5813
206 V A 0.6067
207 K A -0.1864
208 S A -0.5798
209 F A 0.0000
210 N A -2.8596
211 R A -2.9570
212 N A -3.1227
213 E A -2.8376
214 C A -1.4531
1 E B -2.2623
2 V B -1.4515
3 K B -2.3591
4 L B 0.0000
5 Q B -1.4730
6 E B 0.0000
7 S B -1.0591
8 G B -1.0554
9 G B -0.8036
10 G B -0.3015
11 L B 0.1196
12 V B -0.2016
13 Q B -1.4205
14 P B -1.7549
15 G B -1.7713
16 G B -1.2153
17 S B -1.4982
18 L B -1.1388
19 K B -2.0150
20 L B 0.0000
21 S B -0.8089
22 C B 0.0000
23 A B -1.0073
24 T B 0.0000
25 S B -1.5247
26 G B -1.3182
27 F B -0.7255
28 T B -0.7519
29 F B 0.0000
30 S B -1.6571
31 D B -1.9149
32 Y B -0.5725
33 Y B 0.0861
34 M B 0.0000
35 Y B 0.0000
36 W B 0.0000
37 V B 0.0000
38 R B 0.0000
39 Q B 0.0000
40 T B 0.0000
41 P B -1.8154
42 E B -2.9686
43 K B -3.0816
44 R B -2.3403
45 L B 0.0000
46 E B -0.9653
47 W B 0.0000
48 V B 0.0000
49 A B 0.0000
50 Y B 0.4495
51 I B 0.0000
52 S B -0.4564
52A N B -1.1226
53 G B -1.3960
54 G B -0.9395
55 G B -0.7379
56 S B -0.4123
57 T B 0.0369
58 Y B 0.1247
59 Y B -0.6546
60 P B -1.4770
61 D B -2.6470
62 T B -1.7372
63 V B 0.0000
64 K B -2.5553
65 G B -1.9320
66 R B -2.0929
67 F B 0.0000
68 T B -0.9006
69 I B 0.0000
70 S B -0.7173
71 R B -1.3722
72 D B -2.1176
73 N B -2.7136
74 A B -1.8835
75 K B -2.5218
76 N B -2.0869
77 T B -1.4554
78 L B 0.0000
79 Y B -0.6329
80 L B 0.0000
81 Q B -1.5977
82 M B 0.0000
82A S B -1.8980
82B R B -2.5081
82C L B 0.0000
83 K B -2.9140
84 S B -2.0612
85 E B -2.4293
86 D B 0.0000
87 T B -0.8642
88 A B 0.0000
89 M B -0.1970
90 Y B 0.0000
91 Y B 0.0000
92 C B 0.0000
93 A B 0.0000
94 R B 0.0000
95 H B 0.3789
96 G B 0.1299
97 G B 0.3751
100 Y B 1.2662
100I Y B 0.9182
100J A B 0.0000
100K M B 0.0000
101 D B -0.3269
102 Y B -0.2018
103 W B 0.0000
104 G B 0.0000
105 Q B -1.6603
106 G B -0.7317
107 T B -0.5954
108 T B -0.2791
109 V B 0.0000
110 T B -0.6575
111 V B 0.0000
112 S B -1.1999
113 S B -1.2367
114 A B -1.4914
115 K B -2.1053
116 T B -0.9981
117 T B -0.5963
118 A B -0.2748
119 P B -0.2163
120 S B -0.3514
121 V B 0.0000
122 Y B -0.8421
123 P B -1.2721
124 L B 0.0000
125 A B 0.0000
126 P B -0.6145
127 V B -0.9631
128 C B -1.4250
129 G B -1.7617
130 D B -2.1058
133 T B -1.1423
134 T B -0.9613
135 G B -0.8676
136 S B -0.5653
137 S B -0.3798
138 V B -0.1698
139 T B 0.0000
140 L B 0.0000
141 G B 0.0000
142 C B 0.0000
143 L B 0.0000
144 V B 0.0000
145 K B -0.2998
146 G B -0.2143
147 Y B 0.0000
148 F B 0.0000
149 P B -0.7879
150 E B -0.8419
151 P B -0.8484
152 V B -0.4318
153 T B -0.3326
154 L B -0.3073
156 T B -0.3321
157 W B 0.0000
162 N B -0.9513
163 S B -0.7201
164 G B -0.4724
165 S B -0.4013
166 L B -0.1382
167 S B -0.2982
168 S B -0.3086
169 G B -0.2316
171 V B 0.1868
172 H B -0.2499
173 T B -0.0145
174 F B 0.0000
175 P B -0.2319
176 A B 0.1651
177 V B 0.5425
178 L B 0.7439
179 Q B -0.5605
180 S B -0.9129
183 D B -1.7456
184 L B -0.5575
185 Y B 0.0684
186 T B 0.0000
187 L B 0.0000
188 S B 0.0000
189 S B 0.0000
190 S B 0.0000
191 V B 0.0000
192 T B -0.0460
193 V B 0.0000
194 T B -0.3775
195 S B -0.4451
196 S B -0.6345
198 T B -0.6754
199 W B 0.0000
200 P B -1.1101
202 S B -0.9933
203 Q B -1.4665
204 S B -1.4108
205 I B 0.0000
206 T B -1.6488
208 C B 0.0000
209 N B -1.4998
210 V B 0.0000
211 A B -0.9560
212 H B 0.0000
213 P B -0.7128
214 A B -0.3131
215 S B -0.4519
216 S B -0.6829
217 T B -1.0697
218 K B -2.0406
219 V B -1.6275
220 D B -2.6714
221 K B -2.4162
222 K B -2.6022
223 I B 0.0000
226 E B -2.5964
227 P B -1.8120
228 R B -1.4102
229 G B -1.1881
230 P B -0.7035
231 T B -0.2622
232 I B 0.5686
235 K B -1.1060
236 P B -0.6901
237 C B -0.5092
238 P B -0.5238
239 P B -0.3797
240 C B -0.4198
241 K B -1.3646
242 C B -0.9627
243 P B -0.6328
244 A B -0.6399
245 P B -0.3457
246 N B -0.3351
247 L B 1.4753
248 L B 1.5662
249 G B 0.2161
250 G B -0.3298
251 P B -0.8153
252 S B -0.2081
253 V B 0.0000
254 F B 1.3349
255 I B 1.1059
256 F B 1.4611
257 P B 0.2095
258 P B -0.5341
259 K B -1.6450
260 I B -1.2938
261 K B -0.8615
262 D B -0.3554
263 V B 0.0000
264 L B 0.0000
265 M B 0.8060
266 I B 1.7555
267 S B 0.9757
268 L B 0.7004
269 S B -0.0028
270 P B 0.0000
271 I B 0.3114
272 V B 0.0000
273 T B 0.8296
274 C B 0.0000
275 V B 0.0000
276 V B 0.0000
277 V B -0.7079
278 D B -1.5733
279 V B 0.0000
280 S B -2.6775
281 E B -3.7008
282 D B -3.1615
283 D B -2.8886
284 P B -2.5832
285 D B -3.0167
286 V B -1.7458
287 Q B -1.8195
288 I B -0.9523
289 S B -1.1499
290 W B 0.0000
291 F B -1.0141
292 V B -0.9526
295 N B -1.8389
296 N B -1.4856
299 V B -0.0908
300 E B -1.4665
301 V B -0.9465
302 H B -1.3025
303 T B -1.2561
304 A B -1.0131
305 Q B -1.5173
306 T B -1.0418
307 Q B -1.2688
308 T B -1.1232
309 H B -2.3354
310 R B -3.2229
311 E B -3.3821
312 D B -3.1101
313 Y B -1.1464
314 N B -1.0904
317 S B -1.2162
318 T B -2.0648
319 L B 0.0000
320 R B -2.6606
321 V B 0.0000
322 V B -0.7435
323 S B 0.0000
324 A B -0.1637
325 L B 0.0000
326 P B -0.3902
327 I B -0.6574
328 Q B -1.3899
329 H B -0.9013
330 Q B -1.7070
331 D B -1.9648
332 W B 0.0000
333 M B -1.2886
334 S B -1.3932
335 G B -1.8925
336 K B -2.1057
337 E B -2.1683
338 F B 0.0000
339 K B -1.6954
340 C B 0.0000
341 K B -1.6826
342 V B 0.0000
343 N B -1.7496
344 N B 0.0000
345 K B -2.9900
346 D B -2.7461
347 L B -1.4471
348 P B -0.9263
349 A B -0.6566
350 P B -1.0567
351 I B -0.8285
352 E B -1.9041
353 R B -1.1854
354 T B -0.9829
355 I B -0.3782
357 S B -1.3695
358 K B -1.6812
359 P B -1.5372
360 K B -2.2423
361 G B -1.3201
363 S B -0.7754
364 V B -0.6937
365 R B -1.5977
366 A B -1.0882
367 P B 0.0000
368 Q B -0.5553
369 V B 0.0000
370 Y B -0.4901
371 V B -0.1121
372 L B 0.0000
373 P B -0.3710
374 P B 0.0000
375 P B -1.4298
377 E B -2.6363
378 E B -2.7275
379 E B 0.0000
381 M B -1.5121
382 T B -1.7122
383 K B -2.8137
384 K B -3.6654
385 Q B -3.2230
386 V B 0.0000
387 T B 0.0000
388 L B 0.0000
389 T B 0.0000
390 C B 0.0000
391 M B 0.0000
392 V B 0.0000
393 T B 0.0000
394 D B -0.9693
395 F B 0.0000
396 M B -1.1870
397 P B -1.9179
398 E B -2.2310
399 D B -2.6755
400 I B -1.4215
401 Y B -0.6288
402 V B 0.0000
405 E B -0.1047
406 W B 0.0000
407 T B -0.8997
408 N B 0.0000
410 N B -2.1894
411 G B -1.9800
414 K B -2.1827
415 T B -1.0263
416 E B -0.3224
417 L B 0.8414
418 N B -0.0889
419 Y B -0.1883
420 K B -0.6565
421 N B -0.9547
422 T B 0.0000
423 E B -2.4098
424 P B -1.4339
425 V B -0.4448
426 L B 0.3134
427 D B 0.0000
428 S B -1.2311
430 D B -1.9056
433 G B -0.9335
434 S B 0.0000
435 Y B -0.7617
436 F B 0.0000
437 M B 0.0000
438 Y B 0.0000
439 S B 0.0000
440 K B 0.0000
441 L B 0.0000
442 R B -0.8700
443 V B 0.0000
444 E B -3.7351
445 K B -3.6757
446 K B -3.7782
447 N B -3.1735
448 W B 0.0000
449 V B -1.8219
450 E B -3.3153
451 R B -3.6097
452 N B -2.7423
453 S B -1.6660
454 Y B 0.0000
455 S B -0.6390
456 C B 0.0000
457 S B 0.0000
458 V B 0.0000
459 V B 0.0000
460 H B 0.0000
461 E B -1.5621
462 G B -1.2471
463 L B -1.4869
464 H B -1.9204
465 N B -2.1599
466 H B -1.7581
467 H B -1.5166
468 T B -0.9595
469 T B -0.5801
470 K B -0.6381
471 S B -0.6258
472 F B -0.9343
473 S B -1.2884
474 R B -2.4751
1 D C -1.6759
2 I C 0.0000
3 V C 1.0119
4 L C 0.0000
5 T C -0.1102
6 Q C -0.6059
7 S C -0.5461
8 P C -0.5865
9 S C -0.7645
10 S C -0.7931
11 L C -0.5803
12 S C -0.7648
13 A C -0.6825
14 S C -0.7378
15 L C -0.0364
16 G C -0.4883
17 D C -0.9588
18 T C -0.6163
19 I C 0.0000
20 T C -0.1658
21 I C 0.0000
22 T C -0.3491
23 C C 0.0000
24 H C -0.7688
25 A C -0.4634
26 S C -0.8093
27 Q C -2.1195
28 N C -2.3903
29 I C 0.0000
30 N C -1.7948
31 V C -0.6066
32 W C -0.2060
33 L C 0.0000
34 S C 0.0000
35 W C 0.0000
36 Y C 0.0000
37 Q C 0.0000
38 Q C -1.1463
39 K C -1.9106
40 P C -1.5796
41 G C -1.3723
42 N C -1.7601
43 I C -0.6352
44 P C 0.0000
45 K C -1.4286
46 L C 0.0000
47 L C 0.0000
48 I C 0.0000
49 Y C -0.1699
50 K C -0.5779
51 A C 0.0000
52 S C -0.8195
53 N C -1.1831
54 L C -0.3779
55 H C -0.4863
56 T C -0.3855
57 G C -0.6414
58 V C 0.0000
59 P C -0.3975
60 S C -0.4516
61 R C -0.6787
62 F C 0.0000
63 S C -0.4756
64 G C -0.5728
65 S C -0.6284
66 G C -0.6230
67 S C -0.9376
68 G C -1.2597
69 T C -1.2791
70 G C -0.8269
71 F C 0.0000
72 T C -0.3540
73 L C 0.0000
74 T C -0.2578
75 I C 0.0000
76 S C -0.7692
77 S C -0.6583
78 L C 0.0000
79 Q C -1.1688
80 P C -1.6519
81 E C -2.3298
82 D C 0.0000
83 I C 0.0000
84 A C 0.0000
85 T C 0.0000
86 Y C 0.0000
87 Y C 0.0000
88 C C 0.0000
89 Q C 0.0000
90 Q C 0.0000
91 G C 0.0000
92 Q C -0.8948
93 S C -0.5242
94 Y C -0.1737
95 P C -0.5517
96 L C 0.0000
97 T C -0.0167
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100 G C -1.3218
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102 T C 0.0000
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105 E C -1.4841
106 I C 0.0000
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108 R C -1.5207
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114 T C -0.0898
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128 G C -1.0799
129 G C -1.1210
130 A C 0.0000
131 S C 0.0000
132 V C 0.0000
133 V C 0.0000
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136 L C 0.0000
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139 F C 0.0000
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141 P C -2.0349
142 K C -2.4417
143 D C -2.7312
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145 N C -1.8010
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152 G C -1.7666
153 S C -2.1693
154 E C -3.4394
155 R C -3.8149
156 Q C -2.7980
157 N C -2.1107
158 G C -1.1115
159 V C -0.2926
160 L C 0.0117
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165 D C -2.0225
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182 T C -1.7469
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184 D C -3.8860
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28 T D -0.7820
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31 D D -2.0104
32 Y D -0.7736
33 Y D -0.1664
34 M D 0.0000
35 Y D 0.0000
36 W D 0.0000
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38 R D 0.0000
39 Q D 0.0000
40 T D -2.1550
41 P D -1.8940
42 E D -3.1555
43 K D -3.3789
44 R D -3.3107
45 L D 0.0000
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47 W D 0.0000
48 V D 0.0000
49 A D 0.0000
50 Y D 0.3175
51 I D 0.0000
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52A N D -1.8993
53 G D -1.7634
54 G D -1.3480
55 G D -0.9972
56 S D -0.5137
57 T D 0.1101
58 Y D 0.1963
59 Y D -0.6367
60 P D 0.0000
61 D D -2.5992
62 T D -1.7411
63 V D 0.0000
64 K D -2.5521
65 G D -1.9665
66 R D -1.8271
67 F D 0.0000
68 T D -0.7672
69 I D 0.0000
70 S D -0.7421
71 R D -1.6797
72 D D -2.5444
73 N D -3.0890
74 A D -1.9346
75 K D -2.7113
76 N D -2.1634
77 T D -1.5270
78 L D 0.0000
79 Y D -0.6613
80 L D 0.0000
81 Q D -1.6702
82 M D 0.0000
82A S D -1.8727
82B R D -2.7324
82C L D 0.0000
83 K D -2.4986
84 S D -1.8650
85 E D -2.2986
86 D D 0.0000
87 T D -0.8251
88 A D 0.0000
89 M D -0.0966
90 Y D 0.0000
91 Y D 0.0000
92 C D 0.0000
93 A D 0.0000
94 R D -0.0857
95 H D 0.0000
96 G D 0.1459
97 G D 0.1927
100 Y D 0.6414
100I Y D 0.6865
100J A D 0.0000
100K M D 0.0000
101 D D 0.0000
102 Y D -0.0607
103 W D 0.0000
104 G D 0.0000
105 Q D -1.5924
106 G D 0.0000
107 T D 0.0000
108 T D -0.3493
109 V D 0.0000
110 T D -0.6024
111 V D 0.0000
112 S D -1.4158
113 S D -1.3147
114 A D -1.4395
115 K D -2.1038
116 T D -0.9637
117 T D -0.5775
118 A D -0.3123
119 P D -0.1695
120 S D -0.3515
121 V D 0.0000
122 Y D 0.0000
123 P D -1.3660
124 L D 0.0000
125 A D 0.0000
126 P D -0.6018
127 V D -0.8866
128 C D -1.4056
129 G D -1.7546
130 D D -2.1441
133 T D -1.1582
134 T D -0.9968
135 G D -0.8840
136 S D -0.5417
137 S D -0.3689
138 V D -0.2034
139 T D 0.0892
140 L D 0.0000
141 G D 0.0000
142 C D 0.0000
143 L D 0.0000
144 V D 0.0000
145 K D -0.0673
146 G D -0.2827
147 Y D 0.0000
148 F D 0.0000
149 P D 0.0000
150 E D -0.3790
151 P D -0.4153
152 V D -0.2130
153 T D -0.2617
154 L D -0.2702
156 T D -0.4788
157 W D 0.0000
162 N D -1.3004
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164 G D -0.6877
165 S D -0.5519
166 L D -0.2515
167 S D -0.3830
168 S D -0.2937
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171 V D 0.0538
172 H D -0.2964
173 T D 0.0101
174 F D 0.0000
175 P D -0.1643
176 A D 0.3974
177 V D 0.6826
178 L D 0.0904
179 Q D -1.0961
180 S D -1.2986
183 D D -2.0098
184 L D -0.4455
185 Y D 0.0945
186 T D 0.2405
187 L D 0.3137
188 S D 0.0000
189 S D 0.0000
190 S D 0.0000
191 V D 0.0000
192 T D 0.0040
193 V D 0.1304
194 T D -0.2036
195 S D -0.3615
196 S D -0.5050
198 T D -0.4528
199 W D -0.6386
200 P D -1.0734
202 S D -0.9725
203 Q D -1.5086
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205 I D 0.0000
206 T D -1.9931
208 C D 0.0000
209 N D -1.6496
210 V D 0.0000
211 A D -0.9533
212 H D 0.0000
213 P D -0.6759
214 A D -0.2627
215 S D -0.4502
216 S D -0.6782
217 T D -1.0561
218 K D -2.0302
219 V D -1.6279
220 D D -2.8016
221 K D -2.6131
222 K D -2.9327
223 I D 0.0000
226 E D -2.6247
227 P D -1.7408
228 R D -1.3467
229 G D -1.3833
230 P D -0.9871
231 T D -0.3322
232 I D 0.7500
235 K D -0.8984
236 P D -0.8177
237 C D -0.2280
238 P D -0.4307
239 P D -0.8316
240 C D -0.8396
241 K D -1.5309
242 C D -0.9850
243 P D -0.8026
244 A D -0.4644
245 P D -0.3275
246 N D -0.5186
247 L D 1.0754
248 L D 0.6810
249 G D -0.1850
250 G D -0.6710
251 P D -1.1451
252 S D -0.4728
253 V D 0.0000
254 F D 0.7238
255 I D 0.7347
256 F D 1.3036
257 P D 0.2749
258 P D -0.5835
259 K D -1.8095
260 I D -1.2528
261 K D -0.9372
262 D D -0.5371
263 V D 0.0000
264 L D 0.0000
265 M D 0.6672
266 I D 1.6361
267 S D 0.8849
268 L D 0.7279
269 S D -0.1192
270 P D 0.0000
271 I D 0.1090
272 V D 0.0000
273 T D 0.7388
274 C D 0.0000
275 V D 0.0000
276 V D 0.0000
277 V D -1.0260
278 D D -2.2636
279 V D 0.0000
280 S D -2.2681
281 E D -3.1911
282 D D -3.2964
283 D D -2.9502
284 P D -2.6904
285 D D -2.8238
286 V D -1.8152
287 Q D -1.7338
288 I D -0.8752
289 S D -0.9723
290 W D 0.0000
291 F D -0.9793
292 V D -1.1386
295 N D -2.3012
296 N D -1.6984
299 V D -0.2160
300 E D -1.4810
301 V D -0.8211
302 H D -1.2686
303 T D -1.0717
304 A D -1.1074
305 Q D -1.5286
306 T D 0.0000
307 Q D -1.2651
308 T D -1.4161
309 H D -2.5517
310 R D -4.0220
311 E D -3.7832
312 D D -2.9014
313 Y D -0.7614
314 N D -1.2461
317 S D -1.1774
318 T D -1.7777
319 L D -2.6464
320 R D -2.8007
321 V D 0.0000
322 V D -1.0749
323 S D 0.0000
324 A D -0.1889
325 L D 0.0000
326 P D -0.5511
327 I D 0.0000
328 Q D -1.3945
329 H D -0.9197
330 Q D -1.5301
331 D D 0.0000
332 W D 0.0000
333 M D -1.1468
334 S D -1.3497
335 G D -1.8879
336 K D -2.3667
337 E D -2.5584
338 F D 0.0000
339 K D -1.6809
340 C D 0.0000
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342 V D 0.0000
343 N D -1.6855
344 N D -1.9840
345 K D -2.4472
346 D D -1.9681
347 L D 0.0000
348 P D -0.5385
349 A D -0.6667
350 P D -1.1343
351 I D -1.0092
352 E D -2.3450
353 R D -1.6865
354 T D -1.1360
355 I D -0.3105
357 S D -1.2310
358 K D -1.5088
359 P D -1.5726
360 K D -2.1670
361 G D -1.6042
363 S D -0.7237
364 V D -0.6115
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366 A D -1.1642
367 P D 0.0000
368 Q D -1.0748
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370 Y D -0.6531
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375 P D -1.4345
377 E D -2.6214
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381 M D -1.4763
382 T D -1.8822
383 K D -3.1902
384 K D -3.7690
385 Q D -3.2510
386 V D 0.0000
387 T D 0.0000
388 L D 0.0000
389 T D 0.0000
390 C D 0.0000
391 M D 0.0000
392 V D 0.0000
393 T D 0.0000
394 D D -1.2686
395 F D 0.0000
396 M D -1.0766
397 P D -1.7141
398 E D -2.1375
399 D D -2.4786
400 I D -1.3016
401 Y D -0.4589
402 V D 0.0000
405 E D -0.1171
406 W D 0.0000
407 T D -0.9976
408 N D -1.5295
410 N D -2.2610
411 G D -2.0401
414 K D -2.2391
415 T D -1.1125
416 E D -0.4828
417 L D 0.6414
418 N D -0.4163
419 Y D -0.3757
420 K D -0.8577
421 N D -1.0112
422 T D 0.0000
423 E D -2.2637
424 P D -1.2966
425 V D -0.2066
426 L D 0.4584
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428 S D -1.0798
430 D D -1.8769
433 G D -0.8667
434 S D 0.0000
435 Y D -0.6197
436 F D 0.0000
437 M D 0.0000
438 Y D 0.0000
439 S D 0.0000
440 K D 0.0000
441 L D 0.0000
442 R D -0.9428
443 V D 0.0000
444 E D -3.4946
445 K D -3.3494
446 K D -3.4161
447 N D -2.8066
448 W D 0.0000
449 V D -1.1577
450 E D -2.9337
451 R D -3.2364
452 N D -2.4703
453 S D -1.4554
454 Y D 0.0000
455 S D -0.7852
456 C D 0.0000
457 S D 0.0000
458 V D 0.0000
459 V D 0.0000
460 H D 0.0000
461 E D -1.2234
462 G D -1.0393
463 L D -1.4021
464 H D -1.8502
465 N D -2.0807
466 H D -1.4114
467 H D -1.3851
468 T D -1.0714
469 T D -0.7505
470 K D -1.2009
471 S D -0.6278
472 F D -0.8354
473 S D -1.3631
474 R D -2.3251
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Laboratory of Theory of Biopolymers 2018