Project name: tri_11

Chain sequence(s)	A: GDIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECDKTHGGGGSQVQLQESGGGLVQTGGSLRLSCVSSGRERTAMGWFRQAPGKERELVGSITSTGGDTYIADAMQGRFTISRDNAKNTVYLQMNNLRPEDTAVYYCAARNGMMALATHRALYEYWGQGTQVTVSSGQPREPQVYTLPPCRDELTKNQVSLWCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGSSGGGGSGGGGSEVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKV; B: EVQLVESGGGLVQPGGSLRLSCAASGFTFTDYTMDWVRQAPGKGLEWVADVNPNSGGSIYNQRFKGRFTLSVDRSKNTLYLQMNSLRAEDTAVYYCARNLGPSFYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHGGGGSQVQLQESGGGLVQTGGSLRLSCVSSGRERTAMGWFRQAPGKERELVGSITSTGGDTYIADAMQGRFTISRDNAKNTVYLQMNNLRPEDTAVYYCAARNGMMALATHRALYEYWGQGTQVTVSSGQPREPQVCTLPPSRDELTKNQVSLSCAVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLVSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGSSGGGGSGGGSDIQMTQSPSSLSASVGDRVTITCKASQDVSIGVAWYQQKPGKAPKLLIYSASYRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYYIYPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
Selected Chain(s)	A,B
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

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                                          (00:12:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:44)

• Minimal score value: -3.5237
• Maximal score value: 1.0817
• Average score: -0.726
• Total score value: -993.1882

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
1	G	A	-0.7851
2	D	A	-1.0521
3	I	A	0.0000
4	Q	A	-1.9671
5	M	A	0.0000
6	T	A	-1.4335
7	Q	A	0.0000
8	S	A	-0.7810
9	P	A	-0.5056
10	S	A	-0.8425
11	S	A	-0.7814
12	L	A	-0.5749
13	S	A	-0.9943
14	A	A	-1.0792
15	S	A	-0.9996
16	V	A	-0.2132
17	G	A	-0.9843
18	D	A	-2.0377
19	R	A	-2.3917
20	V	A	0.0000
21	T	A	-0.6428
22	I	A	0.0000
23	T	A	-0.7300
24	C	A	0.0000
25	R	A	-2.7644
26	A	A	0.0000
27	S	A	-2.0116
28	Q	A	-2.5429
29	D	A	-2.6976
30	V	A	0.0000
31	N	A	-1.5601
32	T	A	-0.8991
33	A	A	-0.0648
34	V	A	0.0000
35	A	A	0.0000
36	W	A	0.0000
37	Y	A	0.0000
38	Q	A	0.0000
39	Q	A	0.0000
40	K	A	-1.7954
41	P	A	-1.5593
42	G	A	-1.7776
43	K	A	-2.5324
44	A	A	-1.5430
45	P	A	0.0000
46	K	A	-1.2392
47	L	A	0.0000
48	L	A	0.0000
49	I	A	0.0000
50	Y	A	0.0000
51	S	A	0.0000
52	A	A	0.0000
53	S	A	0.0000
54	F	A	0.0000
55	L	A	-0.1342
56	Y	A	-0.0354
57	S	A	-0.3304
58	G	A	-0.5424
59	V	A	0.0000
60	P	A	-0.3816
61	S	A	-0.4060
62	R	A	-0.7730
63	F	A	0.0000
64	S	A	-0.5141
65	G	A	0.0000
66	S	A	-0.7206
67	R	A	-1.2614
68	S	A	-1.0528
69	G	A	-1.6340
70	T	A	-2.0568
71	D	A	-1.8522
72	F	A	0.0000
73	T	A	-0.5977
74	L	A	0.0000
75	T	A	-0.5780
76	I	A	0.0000
77	S	A	-1.3569
78	S	A	-1.2778
79	L	A	0.0000
80	Q	A	-0.9861
81	P	A	-1.4646
82	E	A	-1.6155
83	D	A	0.0000
84	F	A	0.0000
85	A	A	0.0000
86	T	A	-0.8699
87	Y	A	0.0000
88	Y	A	0.0000
89	C	A	0.0000
90	Q	A	0.0000
91	Q	A	0.0000
92	H	A	0.3662
93	Y	A	0.5936
94	T	A	0.4231
95	T	A	0.2401
96	P	A	0.0000
97	P	A	0.0000
98	T	A	-0.3894
99	F	A	-0.5047
100	G	A	0.0000
101	Q	A	-1.8742
102	G	A	0.0000
103	T	A	0.0000
104	K	A	-1.4676
105	V	A	0.0000
106	E	A	-1.4061
107	I	A	0.0000
108	K	A	-1.3224
109	R	A	-0.7996
110	T	A	-0.0814
111	V	A	0.3294
112	A	A	-0.0397
113	A	A	-0.1140
114	P	A	0.0000
115	S	A	-0.1854
116	V	A	0.0000
117	F	A	0.0000
118	I	A	0.0000
119	F	A	0.0000
120	P	A	-0.7794
121	P	A	0.0000
122	S	A	-1.4731
123	D	A	-2.7390
124	E	A	-2.5720
125	Q	A	0.0000
126	L	A	-2.1142
127	K	A	-2.7101
128	S	A	-1.6685
129	G	A	-1.1690
130	T	A	-0.9831
131	A	A	0.0000
132	S	A	0.0000
133	V	A	0.0000
134	V	A	0.0000
135	C	A	0.0000
136	L	A	0.0000
137	L	A	0.0000
138	N	A	0.0000
139	N	A	-0.8127
140	F	A	0.0000
141	Y	A	0.0000
142	P	A	-1.6408
143	R	A	-2.8769
144	E	A	-3.1478
145	A	A	-2.3067
146	K	A	-2.4489
147	V	A	0.0000
148	Q	A	-0.6185
149	W	A	0.0000
150	K	A	-0.4896
151	V	A	0.0000
152	D	A	-1.7247
153	N	A	-1.3057
154	A	A	-0.2281
155	L	A	0.7303
156	Q	A	-0.0903
157	S	A	-0.3921
158	G	A	-0.9286
159	N	A	-0.8345
160	S	A	-1.1378
161	Q	A	-1.4129
162	E	A	-1.4529
163	S	A	-0.7869
164	V	A	-0.7162
165	T	A	-1.1587
166	E	A	-2.3176
167	Q	A	0.0000
168	D	A	-1.9637
169	S	A	-2.0832
170	K	A	-2.4955
171	D	A	-1.7474
172	S	A	0.0000
173	T	A	0.0000
174	Y	A	0.0000
175	S	A	0.0000
176	L	A	0.0000
177	S	A	0.0000
178	S	A	0.0000
179	T	A	-0.6245
180	L	A	0.0000
181	T	A	-0.4887
182	L	A	-0.6846
183	S	A	-1.0779
184	K	A	-2.0489
185	A	A	-1.8865
186	D	A	-2.6762
187	Y	A	0.0000
188	E	A	-3.2133
189	K	A	-3.4443
190	H	A	-2.5976
191	K	A	-2.3876
192	V	A	-0.9401
193	Y	A	0.0000
194	A	A	0.0000
195	C	A	0.0000
196	E	A	-0.5518
197	V	A	0.0000
198	T	A	-1.1967
199	H	A	0.0000
200	Q	A	-1.7521
201	G	A	-0.4443
202	L	A	-0.2361
203	S	A	-0.4535
204	S	A	-0.3970
205	P	A	-0.5088
206	V	A	0.1552
207	T	A	-0.2978
208	K	A	-0.6562
209	S	A	-0.5528
210	F	A	0.0000
211	N	A	-1.5142
212	R	A	-2.0172
213	G	A	-1.8325
214	E	A	-2.0538
215	C	A	-1.4372
216	D	A	-2.0497
217	K	A	-2.5757
218	T	A	-2.2541
219	H	A	-2.3530
220	G	A	-2.0229
221	G	A	-1.9844
222	G	A	-1.5403
223	G	A	-1.8839
224	S	A	-1.6468
225	Q	A	-1.9779
226	V	A	0.0000
227	Q	A	-1.7409
228	L	A	0.0000
229	Q	A	-1.2169
230	E	A	0.0000
231	S	A	-0.8704
232	G	A	0.0000
233	G	A	-0.9602
234	G	A	-0.6948
235	L	A	0.0136
236	V	A	0.0000
237	Q	A	-1.0234
238	T	A	-1.5565
239	G	A	-1.5309
240	G	A	-1.0368
241	S	A	-1.3055
242	L	A	0.0000
243	R	A	-1.3631
244	L	A	0.0000
245	S	A	-0.2131
246	C	A	0.0000
247	V	A	-0.0048
248	S	A	0.0000
249	S	A	-1.3921
250	G	A	0.0000
251	R	A	-3.0800
252	E	A	-3.1397
253	R	A	-1.8389
254	T	A	0.0000
255	A	A	0.0000
256	M	A	0.0000
257	G	A	0.0000
258	W	A	0.0000
259	F	A	0.0000
260	R	A	0.0000
261	Q	A	-2.0255
262	A	A	-1.9374
263	P	A	-1.3587
264	G	A	-1.9257
265	K	A	-3.3298
266	E	A	-3.5237
267	R	A	-2.8606
268	E	A	-2.6191
269	L	A	-1.3561
270	V	A	0.0000
271	G	A	0.0000
272	S	A	0.0000
273	I	A	0.0000
274	T	A	-0.2700
275	S	A	-0.4557
276	T	A	-0.6723
277	G	A	-1.0548
278	G	A	-1.4446
279	D	A	-1.8253
280	T	A	-0.7086
281	Y	A	-0.1058
282	I	A	0.0000
283	A	A	-1.2059
284	D	A	-2.1542
285	A	A	-1.1980
286	M	A	0.0000
287	Q	A	-1.9656
288	G	A	-1.5157
289	R	A	0.0000
290	F	A	0.0000
291	T	A	-0.5257
292	I	A	0.0000
293	S	A	-0.6898
294	R	A	-0.8320
295	D	A	-1.2254
296	N	A	-1.1629
297	A	A	-1.5261
298	K	A	-1.8870
299	N	A	0.0000
300	T	A	-0.6804
301	V	A	0.0000
302	Y	A	-0.2043
303	L	A	0.0000
304	Q	A	-0.7074
305	M	A	0.0000
306	N	A	-1.7476
307	N	A	-2.0563
308	L	A	0.0000
309	R	A	-2.3056
310	P	A	-1.6977
311	E	A	-2.2484
312	D	A	0.0000
313	T	A	-1.0093
314	A	A	0.0000
315	V	A	-0.3983
316	Y	A	0.0000
317	Y	A	-0.5427
318	C	A	0.0000
319	A	A	0.0000
320	A	A	0.0000
321	R	A	0.0000
322	N	A	-1.7658
323	G	A	-1.4204
324	M	A	0.2175
325	M	A	0.7663
326	A	A	0.5677
327	L	A	0.4625
328	A	A	0.0000
329	T	A	-0.6207
330	H	A	-1.4439
331	R	A	-1.8039
332	A	A	-0.6696
333	L	A	-0.2559
334	Y	A	0.0000
335	E	A	-1.3389
336	Y	A	0.0000
337	W	A	-0.9007
338	G	A	0.0000
339	Q	A	-1.7055
340	G	A	0.0000
341	T	A	-0.8668
342	Q	A	-1.1240
343	V	A	0.0000
344	T	A	-0.5366
345	V	A	0.0000
346	S	A	-0.8870
347	S	A	-1.0071
348	G	A	-1.1259
349	Q	A	-1.8331
350	P	A	-1.6149
351	R	A	-2.0155
352	E	A	-2.6042
353	P	A	0.0000
354	Q	A	-1.2790
355	V	A	0.0000
356	Y	A	0.0000
357	T	A	-0.5930
358	L	A	0.0000
359	P	A	-0.2203
360	P	A	-0.2075
361	C	A	-0.2129
362	R	A	-0.3572
363	D	A	-0.7825
364	E	A	0.0000
365	L	A	-0.8542
366	T	A	-1.2224
367	K	A	-2.0996
368	N	A	-2.4217
369	Q	A	-2.1430
370	V	A	0.0000
371	S	A	0.0000
372	L	A	0.0000
373	W	A	0.0000
374	C	A	0.0000
375	L	A	0.0000
376	V	A	0.0000
377	K	A	-0.5824
378	G	A	0.0000
379	F	A	0.0000
380	Y	A	0.0000
381	P	A	-0.7389
382	S	A	-0.1306
383	D	A	-0.4326
384	I	A	-0.0569
385	A	A	0.0000
386	V	A	0.0000
387	E	A	-0.5260
388	W	A	0.0000
389	E	A	-1.2068
390	S	A	0.0000
391	N	A	-1.6006
392	G	A	-1.5426
393	Q	A	-1.9018
394	P	A	-1.4802
395	E	A	0.0000
396	N	A	-1.7797
397	N	A	-1.2834
398	Y	A	-0.7349
399	K	A	-0.3880
400	T	A	-0.0222
401	T	A	0.0000
402	P	A	-0.2068
403	P	A	0.0081
404	V	A	0.2782
405	L	A	0.2910
406	D	A	-0.6778
407	S	A	-1.1926
408	D	A	-1.9629
409	G	A	-1.0948
410	S	A	0.0000
411	F	A	0.0000
412	F	A	0.0000
413	L	A	0.0000
414	Y	A	0.0000
415	S	A	0.0000
416	K	A	0.0000
417	L	A	0.0000
418	T	A	-0.7617
419	V	A	0.0000
420	D	A	-2.0142
421	K	A	-1.9988
422	S	A	-1.7079
423	R	A	-1.6038
424	W	A	0.0000
425	Q	A	-1.2680
426	Q	A	-1.5571
427	G	A	-0.6679
428	N	A	-0.6764
429	V	A	0.4194
430	F	A	0.0000
431	S	A	0.0000
432	C	A	0.0000
433	S	A	0.0000
434	V	A	0.0000
435	M	A	0.0000
436	H	A	0.0000
437	E	A	0.0000
438	A	A	-1.4602
439	L	A	0.0000
440	H	A	-1.7145
441	N	A	-1.6068
442	H	A	-0.9991
443	Y	A	-0.0871
444	T	A	-0.5318
445	Q	A	-0.8933
446	K	A	-1.0042
447	S	A	-0.4092
448	L	A	0.0000
449	S	A	-0.0263
450	L	A	-0.1692
451	S	A	-0.2458
452	P	A	-0.8959
453	G	A	-1.0142
454	S	A	-0.8524
455	S	A	-1.1358
456	G	A	-1.1496
457	G	A	-1.2989
458	G	A	-1.2220
459	G	A	-1.2335
460	S	A	-1.1074
461	G	A	-1.2806
462	G	A	-1.2210
463	G	A	-1.3625
464	G	A	-1.4863
465	S	A	-1.6356
466	E	A	-2.2252
467	V	A	-1.1707
468	Q	A	-0.8890
469	L	A	0.0000
470	V	A	0.3778
471	E	A	0.0000
472	S	A	-0.4984
473	G	A	-0.8211
474	G	A	-0.3729
475	G	A	-0.4418
476	L	A	-0.0855
477	V	A	0.0000
478	Q	A	-1.6439
479	P	A	-1.7187
480	G	A	-1.4258
481	G	A	-1.1308
482	S	A	-1.3175
483	L	A	-1.1222
484	R	A	-1.9991
485	L	A	0.0000
486	S	A	-0.4533
487	C	A	0.0000
488	A	A	-0.2346
489	A	A	-0.5702
490	S	A	-1.0774
491	G	A	-1.3227
492	F	A	-1.3457
493	N	A	-2.2450
494	I	A	0.0000
495	K	A	-2.3374
496	D	A	-2.9415
497	T	A	0.0000
498	Y	A	0.0000
499	I	A	0.0000
500	H	A	0.0000
501	W	A	0.0000
502	V	A	0.0000
503	R	A	0.0000
504	Q	A	-0.7912
505	A	A	-1.1868
506	P	A	-0.9592
507	G	A	-1.4519
508	K	A	-2.3955
509	G	A	-1.6504
510	L	A	0.0000
511	E	A	-1.1042
512	W	A	0.0000
513	V	A	0.0000
514	A	A	0.0000
515	R	A	0.0000
516	I	A	0.0000
517	Y	A	0.0000
518	P	A	0.0000
519	T	A	-1.2890
520	N	A	-1.1775
521	G	A	-0.8770
522	Y	A	-0.5441
523	T	A	-0.2931
524	R	A	-0.5812
525	Y	A	-0.9926
526	A	A	0.0000
527	D	A	-2.7081
528	S	A	-1.8316
529	V	A	0.0000
530	K	A	-2.6991
531	G	A	-1.8136
532	R	A	-1.6311
533	F	A	0.0000
534	T	A	-0.9028
535	I	A	0.0000
536	S	A	-0.3015
537	A	A	-0.7840
538	D	A	-1.3895
539	T	A	-1.5328
540	S	A	-1.5306
541	K	A	-2.2435
542	N	A	-1.7176
543	T	A	0.0000
544	A	A	0.0000
545	Y	A	-0.5500
546	L	A	0.0000
547	Q	A	-1.2332
548	M	A	0.0000
549	N	A	-1.5285
550	S	A	-1.3258
551	L	A	0.0000
552	R	A	-2.4170
553	A	A	-1.7608
554	E	A	-2.2753
555	D	A	0.0000
556	T	A	-0.7449
557	A	A	0.0000
558	V	A	0.2242
559	Y	A	0.0000
560	Y	A	0.0000
561	C	A	0.0000
562	S	A	0.0000
563	R	A	-0.0964
564	W	A	0.0000
565	G	A	-0.7865
566	G	A	-1.8749
567	D	A	-2.6582
568	G	A	-1.3779
569	F	A	0.0000
570	Y	A	-0.2318
571	A	A	0.0000
572	M	A	0.0000
573	D	A	-0.1544
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