Project name: 1IGT

Status: done

Started: 2026-03-24 04:12:54
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           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:17:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:17:18)
Show buried residues

Minimal score value
-4.0708
Maximal score value
1.7611
Average score
-0.8139
Total score value
-1071.07

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 -1.6634
2 I A 0.0000
3 V A 0.8844
4 L A 0.0000
5 T A -0.0641
6 Q A 0.0000
7 S A -0.4717
8 P A -0.4041
9 S A -0.6452
10 S A -0.6289
11 L A -0.3020
12 S A -0.5384
13 A A -0.6428
14 S A -0.6653
15 L A 0.2131
16 G A -0.4041
17 D A -0.8727
18 T A -0.4997
19 I A -0.1703
20 T A -0.0006
21 I A 0.0000
22 T A -0.3032
23 C A 0.0000
24 H A -0.7819
25 A A -0.6205
26 S A -0.9793
27 Q A -2.1033
28 N A -2.2164
29 I A 0.0000
30 N A -1.1355
31 V A -0.2467
32 W A 0.2252
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 0.0000
39 K A -2.4264
40 P A -1.6948
41 G A -1.4241
42 N A -2.1455
43 I A -1.2486
44 P A 0.0000
45 K A -1.7916
46 L A 0.0000
47 L A 0.0000
48 I A 0.0000
49 Y A 0.3093
50 K A -0.0929
51 A A 0.0000
52 S A -0.3693
53 N A -0.3622
54 L A 0.1350
55 H A -0.3227
56 T A -0.2901
57 G A -0.5020
58 V A 0.0000
59 P A -0.4008
60 S A -0.4214
61 R A -0.6300
62 F A 0.0000
63 S A -0.3225
64 G A -0.3164
65 S A -0.5353
66 G A -0.7262
67 S A -0.7932
68 G A -1.1453
69 T A -1.2298
70 G A -0.8532
71 F A 0.0000
72 T A -0.3772
73 L A 0.0000
74 T A -0.1524
75 I A 0.0000
76 S A -0.5718
77 S A -0.5989
78 L A 0.0000
79 Q A -1.1388
80 P A -1.2643
81 E A -2.2799
82 D A 0.0000
83 I A -1.0487
84 A A 0.0000
85 T A -1.0456
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 -0.5655
93 S A -0.5461
94 Y A -0.1653
95 P A -0.4748
96 L A 0.0000
97 T A -0.2056
98 F A 0.0000
99 G A 0.0000
100 G A -1.1909
101 G A -1.1882
102 T A 0.0000
103 K A -1.2281
104 L A 0.0000
105 E A -1.0694
106 I A -0.7910
107 K A -2.0310
108 R A -2.2356
109 A A -1.6565
110 D A -2.6632
111 A A -1.3029
112 A A -0.6285
113 P A 0.0000
114 T A -0.1174
115 V A 0.0000
116 S A 0.0496
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 -1.0023
123 E A -1.8612
124 Q A 0.0000
125 L A -0.9872
126 T A -0.8859
127 S A -0.9321
128 G A -1.2455
129 G A -1.1927
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 -0.9619
139 F A 0.0000
140 Y A 0.0000
141 P A -2.5048
142 K A -3.0120
143 D A -2.9715
144 I A -1.9600
145 N A -1.8145
146 V A -0.6318
147 K A -1.6189
148 W A 0.0000
149 K A -2.5311
150 I A 0.0000
151 D A -2.5953
152 G A -1.8853
153 S A -2.1941
154 E A -3.4328
155 R A -3.7976
156 Q A -2.7589
157 N A -2.1141
158 G A -1.1341
159 V A -0.3627
160 L A -0.1145
161 N A -0.3305
162 S A -0.0812
163 W A -0.4141
164 T A -1.1594
165 D A -2.3663
166 Q A -2.2252
167 D A -2.6000
168 S A -2.3106
169 K A -2.6607
170 D A -2.4662
171 S A -2.3350
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 -0.1669
181 L A -0.9239
182 T A -1.7049
183 K A -2.8134
184 D A -3.8690
185 E A -3.5825
186 Y A 0.0000
187 E A -3.9569
188 R A -4.0185
189 H A -3.4126
190 N A -3.4043
191 S A -2.0616
192 Y A 0.0000
193 T A -1.0205
194 C A 0.0000
195 E A -0.3836
196 A A 0.0000
197 T A -0.8664
198 H A 0.0000
199 K A -2.5000
200 T A -1.3011
201 S A -0.6657
202 T A -0.5574
203 S A -0.2231
204 P A -0.0978
205 I A 0.8306
206 V A 1.1433
207 K A 0.0697
208 S A -0.4623
209 F A 0.0000
210 N A -2.8658
211 R A -2.8415
212 N A -3.1098
213 E A -2.8220
214 C A -1.4401
1 E B -2.2441
2 V B -1.4273
3 K B -2.4926
4 L B 0.0000
5 Q B -2.0444
6 E B 0.0000
7 S B -1.2291
8 G B -1.0794
9 G B -0.8320
10 G B -0.3139
11 L B 0.0944
12 V B -0.2372
13 Q B -1.4190
14 P B -1.6624
15 G B -1.6680
16 G B -1.1680
17 S B -1.4518
18 L B -1.1353
19 K B -2.0360
20 L B 0.0000
21 S B -0.8980
22 C B 0.0000
23 A B -1.1559
24 T B 0.0000
25 S B -1.5345
26 G B -1.2854
27 F B -0.6907
28 T B -0.6356
29 F B 0.0000
30 S B -1.4837
31 D B -1.9219
32 Y B -0.6463
33 Y B 0.0092
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 -1.9382
42 E B -3.1549
43 K B -3.4415
44 R B -3.0762
45 L B 0.0000
46 E B -1.4080
47 W B 0.0000
48 V B 0.0000
49 A B 0.0000
50 Y B 0.4623
51 I B 0.0000
52 S B -0.6193
52A N B -1.3984
53 G B -1.4780
54 G B -0.9960
55 G B -0.7933
56 S B -0.4678
57 T B -0.0008
58 Y B 0.1246
59 Y B -0.6530
60 P B -1.5139
61 D B -2.6548
62 T B -1.7502
63 V B 0.0000
64 K B -2.5635
65 G B -1.9213
66 R B -2.0042
67 F B 0.0000
68 T B -0.8624
69 I B 0.0000
70 S B -0.6731
71 R B -1.2923
72 D B -1.9182
73 N B -2.1812
74 A B -1.5659
75 K B -2.2945
76 N B -1.6891
77 T B -1.3206
78 L B 0.0000
79 Y B -0.6497
80 L B 0.0000
81 Q B -1.5136
82 M B 0.0000
82A S B -1.8126
82B R B -2.4042
82C L B 0.0000
83 K B -2.5682
84 S B -1.8971
85 E B -2.3220
86 D B 0.0000
87 T B -0.8129
88 A B 0.0000
89 M B -0.2499
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 0.4537
96 G B 0.2348
97 G B 0.4359
100 Y B 1.2807
100I Y B 0.9469
100J A B 0.0000
100K M B 0.0000
101 D B 0.0000
102 Y B -0.2116
103 W B 0.0000
104 G B 0.0000
105 Q B -1.8705
106 G B -0.9178
107 T B -0.7097
108 T B -0.3116
109 V B 0.0000
110 T B -0.6360
111 V B 0.0000
112 S B -1.1709
113 S B -1.2513
114 A B -1.5132
115 K B -2.1198
116 T B -1.0090
117 T B -0.6204
118 A B -0.2813
119 P B -0.2161
120 S B -0.3485
121 V B 0.0000
122 Y B 0.0000
123 P B -1.3960
124 L B 0.0000
125 A B 0.0000
126 P B -0.6170
127 V B -0.9693
128 C B -1.4425
129 G B -1.7744
130 D B -2.1090
133 T B -1.1392
134 T B -0.9512
135 G B -0.8567
136 S B -0.5180
137 S B -0.3021
138 V B -0.0635
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 -0.2842
146 G B -0.2659
147 Y B 0.0000
148 F B 0.0000
149 P B -0.8112
150 E B -0.8492
151 P B -0.8419
152 V B -0.4291
153 T B -0.3316
154 L B -0.2972
156 T B -0.3212
157 W B 0.0000
162 N B -0.9530
163 S B -0.7012
164 G B -0.4670
165 S B -0.3989
166 L B -0.1232
167 S B -0.3007
168 S B -0.2845
169 G B -0.1938
171 V B 0.2103
172 H B -0.2454
173 T B -0.0034
174 F B 0.0000
175 P B -0.2257
176 A B 0.1514
177 V B 0.5094
178 L B 0.6555
179 Q B -0.6146
180 S B -0.9730
183 D B -1.8151
184 L B -0.6712
185 Y B -0.0038
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 0.0578
193 V B 0.1015
194 T B -0.2820
195 S B -0.4043
196 S B -0.6127
198 T B -0.6473
199 W B 0.0000
200 P B -1.0987
202 S B -0.9809
203 Q B -1.4388
204 S B -1.3996
205 I B 0.0000
206 T B -1.7589
208 C B 0.0000
209 N B -1.5151
210 V B 0.0000
211 A B -0.9433
212 H B 0.0000
213 P B -0.7108
214 A B -0.3123
215 S B -0.4516
216 S B -0.6812
217 T B -1.0589
218 K B -2.0231
219 V B -1.6244
220 D B -2.7075
221 K B -2.5882
222 K B -2.9065
223 I B 0.0000
226 E B -2.6762
227 P B -1.8508
228 R B -1.4195
229 G B -1.1941
230 P B -0.7089
231 T B -0.2628
232 I B 0.5684
235 K B -1.0801
236 P B -0.6289
237 C B -0.3985
238 P B -0.4870
239 P B -0.3999
240 C B -0.4414
241 K B -1.4016
242 C B -1.0211
243 P B -0.6647
244 A B -0.6611
245 P B -0.3497
246 N B -0.3390
247 L B 1.4830
248 L B 1.6950
249 G B 0.3611
250 G B -0.0726
251 P B -0.4084
252 S B 0.0562
253 V B 0.0000
254 F B 1.3330
255 I B 1.1370
256 F B 1.4591
257 P B 0.1937
258 P B -0.6179
259 K B -1.8611
260 I B 0.0000
261 K B -0.9430
262 D B -0.4711
263 V B 0.0000
264 L B 0.0000
265 M B 0.7911
266 I B 1.7611
267 S B 0.9521
268 L B 0.6299
269 S B -0.0331
270 P B 0.0000
271 I B 0.3523
272 V B 0.0000
273 T B 0.8781
274 C B 0.0000
275 V B 0.9830
276 V B 0.0000
277 V B -0.1306
278 D B -0.6803
279 V B 0.0000
280 S B -2.4303
281 E B -3.5558
282 D B -3.1773
283 D B -2.9383
284 P B -2.4684
285 D B -2.9827
286 V B -1.7202
287 Q B -1.8312
288 I B -0.9041
289 S B -1.1381
290 W B 0.0000
291 F B -1.0274
292 V B -0.9913
295 N B -1.8716
296 N B -1.5009
299 V B -0.0989
300 E B -1.4705
301 V B -0.9416
302 H B -1.2979
303 T B -1.3327
304 A B -1.0709
305 Q B -1.6546
306 T B -1.2456
307 Q B -1.7210
308 T B -1.1951
309 H B -2.1237
310 R B -2.5773
311 E B -2.9539
312 D B -2.8780
313 Y B -0.9159
314 N B -1.0895
317 S B -1.1182
318 T B -1.7374
319 L B 0.0000
320 R B -1.7892
321 V B 0.0000
322 V B -0.3180
323 S B 0.0000
324 A B -0.2311
325 L B 0.0000
326 P B -0.4235
327 I B -0.6728
328 Q B -1.4278
329 H B -0.9411
330 Q B -1.7113
331 D B -2.0352
332 W B 0.0000
333 M B -1.0308
334 S B -1.2033
335 G B -1.6691
336 K B -2.0089
337 E B -2.1076
338 F B 0.0000
339 K B -1.6924
340 C B 0.0000
341 K B -1.6494
342 V B 0.0000
343 N B -1.7783
344 N B -2.2178
345 K B -3.0569
346 D B -2.7828
347 L B -1.4800
348 P B -0.9448
349 A B -0.6660
350 P B -1.0638
351 I B -0.8008
352 E B -1.8223
353 R B -1.1165
354 T B -0.9678
355 I B -0.3124
357 S B -1.2087
358 K B -1.3845
359 P B -1.3838
360 K B -2.1216
361 G B -1.2629
363 S B -0.7272
364 V B -0.5453
365 R B -1.5408
366 A B -1.0677
367 P B 0.0000
368 Q B -0.7586
369 V B 0.0000
370 Y B -0.5697
371 V B -0.1375
372 L B 0.0000
373 P B -0.3450
374 P B 0.0000
375 P B -1.4428
377 E B -2.6341
378 E B -2.7123
379 E B 0.0000
381 M B -1.3453
382 T B -1.5231
383 K B -2.4055
384 K B -3.2815
385 Q B -2.7202
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 -1.1084
395 F B 0.0000
396 M B -1.0167
397 P B -1.7052
398 E B -2.0402
399 D B -2.4021
400 I B -1.3226
401 Y B -0.6928
402 V B 0.0000
405 E B -0.2128
406 W B 0.0000
407 T B -0.9704
408 N B -1.4510
410 N B -2.1839
411 G B -2.0180
414 K B -2.2292
415 T B -1.0573
416 E B -0.3179
417 L B 0.9294
418 N B 0.1498
419 Y B -0.1081
420 K B -0.6554
421 N B -1.0106
422 T B 0.0000
423 E B -2.4321
424 P B -1.3583
425 V B -0.3883
426 L B 0.4745
427 D B 0.0000
428 S B -1.2437
430 D B -1.9026
433 G B -0.9109
434 S B 0.0000
435 Y B -0.6950
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 -0.6758
443 V B 0.0000
444 E B -3.1202
445 K B -3.1146
446 K B -3.3138
447 N B -2.5112
448 W B 0.0000
449 V B -1.2133
450 E B -2.6644
451 R B -2.4146
452 N B -1.9222
453 S B -1.2962
454 Y B 0.0000
455 S B 0.0000
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 -1.1994
462 G B -1.0674
463 L B -1.4384
464 H B -1.9068
465 N B -2.1619
466 H B -1.7519
467 H B -1.5550
468 T B -1.0530
469 T B -0.6411
470 K B -0.7389
471 S B -0.6451
472 F B -0.8284
473 S B -1.2197
474 R B -2.2148
1 D C -1.6747
2 I C 0.0000
3 V C 0.9767
4 L C 0.0000
5 T C -0.1431
6 Q C -0.6295
7 S C -0.5443
8 P C -0.6297
9 S C -0.8658
10 S C -0.9699
11 L C -0.7832
12 S C -1.0387
13 A C -0.8716
14 S C -0.9585
15 L C -0.3181
16 G C -0.6397
17 D C -1.0853
18 T C -0.6770
19 I C 0.0000
20 T C -0.1653
21 I C 0.0000
22 T C -0.3524
23 C C 0.0000
24 H C -0.7730
25 A C -0.4837
26 S C -0.8060
27 Q C -2.1160
28 N C -2.3709
29 I C 0.0000
30 N C -1.7236
31 V C -0.4674
32 W C -0.1002
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 -1.2748
39 K C -2.1943
40 P C -1.7053
41 G C -1.2381
42 N C -1.3747
43 I C -0.8099
44 P C 0.0000
45 K C -1.3079
46 L C 0.0000
47 L C 0.0000
48 I C 0.0000
49 Y C -0.1435
50 K C -0.4556
51 A C 0.0000
52 S C -0.7510
53 N C -1.1071
54 L C -0.2959
55 H C -0.4169
56 T C -0.3266
57 G C -0.5126
58 V C -0.2357
59 P C -0.2994
60 S C -0.4137
61 R C -0.6673
62 F C 0.0000
63 S C -0.4473
64 G C -0.5564
65 S C -0.6018
66 G C -0.6092
67 S C -0.8917
68 G C -1.2345
69 T C -1.2681
70 G C -0.8181
71 F C 0.0000
72 T C -0.3540
73 L C 0.0000
74 T C -0.2608
75 I C 0.0000
76 S C -0.7953
77 S C -0.7361
78 L C 0.0000
79 Q C -1.3094
80 P C -1.7880
81 E C -2.5779
82 D C 0.0000
83 I C 0.0000
84 A C 0.0000
85 T C -1.3785
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
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95 P C -0.5273
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130 A C 0.0000
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141 P C -2.4574
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155 R C -3.5946
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39 Q D 0.0000
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41 P D -1.9933
42 E D -3.2844
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49 A D 0.0000
50 Y D 0.3768
51 I D 0.0000
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53 G D -1.3147
54 G D -1.0484
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57 T D 0.1006
58 Y D 0.1968
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62 T D -1.6967
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65 G D -1.9594
66 R D -1.7798
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68 T D -0.6948
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70 S D -0.6137
71 R D -1.3147
72 D D -2.0644
73 N D -2.1743
74 A D -1.5338
75 K D -2.4382
76 N D -1.8908
77 T D -1.3741
78 L D 0.0000
79 Y D -0.5706
80 L D 0.0000
81 Q D -1.4214
82 M D 0.0000
82A S D -1.7713
82B R D -2.6873
82C L D 0.0000
83 K D -2.5309
84 S D -1.8839
85 E D -2.3145
86 D D 0.0000
87 T D -0.8471
88 A D 0.0000
89 M D -0.2010
90 Y D 0.0000
91 Y D 0.0000
92 C D 0.0000
93 A D 0.0000
94 R D -0.0743
95 H D 0.0000
96 G D 0.0899
97 G D 0.1188
100 Y D 0.5819
100I Y D 0.6073
100J A D 0.0000
100K M D 0.0000
101 D D -0.1553
102 Y D 0.0125
103 W D 0.0000
104 G D 0.0000
105 Q D -1.7498
106 G D -0.8452
107 T D -0.6312
108 T D -0.3930
109 V D 0.0000
110 T D -0.6281
111 V D 0.0000
112 S D -1.4215
113 S D -1.3110
114 A D -1.4393
115 K D -2.0977
116 T D -0.9522
117 T D -0.5706
118 A D -0.3056
119 P D -0.1775
120 S D -0.3178
121 V D 0.0000
122 Y D 0.0000
123 P D -1.2324
124 L D 0.0000
125 A D 0.0000
126 P D -0.6084
127 V D -0.8509
128 C D -1.3092
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130 D D -2.1538
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134 T D -0.9953
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136 S D -0.5446
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140 L D 0.0000
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153 T D -0.2308
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176 A D 0.3306
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178 L D 0.0898
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184 L D -0.4509
185 Y D 0.0588
186 T D 0.1681
187 L D 0.0000
188 S D 0.0000
189 S D 0.0000
190 S D 0.0000
191 V D 0.0000
192 T D -0.0125
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195 S D -0.3611
196 S D -0.5070
198 T D -0.4594
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200 P D -1.0770
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205 I D 0.0000
206 T D -1.7332
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212 H D 0.0000
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214 A D -0.2711
215 S D -0.4491
216 S D -0.6763
217 T D -1.0339
218 K D -1.9159
219 V D -1.3990
220 D D -2.3897
221 K D -2.1973
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223 I D 0.0000
226 E D -2.5646
227 P D -1.7072
228 R D -1.3247
229 G D -1.3088
230 P D -0.8788
231 T D -0.2073
232 I D 0.8215
235 K D -0.8776
236 P D -0.7708
237 C D -0.1485
238 P D -0.3966
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241 K D -1.5667
242 C D -1.0660
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244 A D -0.4750
245 P D -0.3294
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247 L D 1.0852
248 L D 0.6004
249 G D -0.2528
250 G D -0.8014
251 P D -1.3278
252 S D -0.5215
253 V D 0.0000
254 F D 0.9073
255 I D 0.9453
256 F D 1.5615
257 P D 0.3843
258 P D -0.5058
259 K D -1.7609
260 I D -1.2126
261 K D -0.8358
262 D D -0.4390
263 V D 0.0000
264 L D 0.0000
265 M D 0.7442
266 I D 1.6928
267 S D 0.9384
268 L D 0.8267
269 S D -0.0480
270 P D 0.0000
271 I D 0.1579
272 V D 0.0000
273 T D 0.8417
274 C D 0.0000
275 V D 0.0000
276 V D 0.0000
277 V D 0.0000
278 D D -2.4007
279 V D 0.0000
280 S D -2.3582
281 E D -3.2309
282 D D -3.4010
283 D D -3.1327
284 P D -2.7727
285 D D -2.8634
286 V D -1.8413
287 Q D -1.7461
288 I D -0.8713
289 S D -0.9572
290 W D 0.0000
291 F D -0.9673
292 V D -1.1700
295 N D -2.3210
296 N D -1.7014
299 V D -0.2171
300 E D -1.4828
301 V D -0.8321
302 H D -1.2770
303 T D -1.0756
304 A D -1.0965
305 Q D -1.5132
306 T D 0.0000
307 Q D -1.2428
308 T D -1.4030
309 H D -2.5597
310 R D -4.0708
311 E D -3.8359
312 D D -2.9451
313 Y D -0.7938
314 N D -1.2474
317 S D -1.1844
318 T D -1.8624
319 L D -2.7960
320 R D -3.0543
321 V D 0.0000
322 V D -1.1140
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324 A D -0.1473
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326 P D -0.4788
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328 Q D -1.4478
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330 Q D -1.6300
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333 M D -1.2307
334 S D -1.4209
335 G D -1.9475
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344 N D -2.2329
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349 A D -0.7410
350 P D -1.1869
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352 E D -2.1850
353 R D -1.4774
354 T D -1.0235
355 I D -0.2369
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358 K D -1.5280
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360 K D -2.2106
361 G D -1.6736
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377 E D -2.6125
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381 M D -1.4229
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383 K D -2.8662
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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 -0.9651
395 F D 0.0000
396 M D -1.0957
397 P D -1.6346
398 E D -1.8100
399 D D -2.3019
400 I D -1.2152
401 Y D -0.4928
402 V D 0.0000
405 E D -0.1878
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408 N D 0.0000
410 N D -2.1808
411 G D -1.9922
414 K D -2.1864
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425 V D -0.1949
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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 -0.9403
443 V D 0.0000
444 E D -3.3964
445 K D -3.3251
446 K D -3.4902
447 N D -2.9443
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449 V D -1.3536
450 E D -3.0850
451 R D -3.4055
452 N D -2.4859
453 S D -1.4106
454 Y D 0.0000
455 S D -0.6867
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 -1.2599
462 G D -1.1747
463 L D 0.0000
464 H D -1.9008
465 N D -2.0967
466 H D -1.3858
467 H D -1.4410
468 T D -1.0639
469 T D -0.6925
470 K D -1.0188
471 S D -0.5435
472 F D -0.7993
473 S D -1.3672
474 R D -2.3717
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Laboratory of Theory of Biopolymers 2018