Project name: tri_15

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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[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                                          (00:35:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:35:42)

• Minimal score value: -3.5786
• Maximal score value: 2.0857
• Average score: -0.7261
• Total score value: -1034.6412

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	-1.3520
2	D	A	-1.9360
3	I	A	0.0000
4	Q	A	-2.1618
5	M	A	0.0000
6	T	A	-1.2732
7	Q	A	0.0000
8	S	A	-1.1433
9	P	A	-1.1063
10	S	A	-1.2859
11	S	A	-1.2648
12	L	A	0.0000
13	S	A	-1.1481
14	A	A	0.0000
15	S	A	-0.1823
16	V	A	0.6279
17	G	A	-0.2592
18	D	A	-0.8453
19	R	A	-1.2312
20	V	A	0.0000
21	T	A	0.0000
22	I	A	0.0000
23	T	A	0.0000
24	C	A	0.0000
25	R	A	-2.5241
26	A	A	0.0000
27	S	A	-2.0629
28	Q	A	-2.6651
29	D	A	-2.7436
30	V	A	0.0000
31	N	A	-1.8957
32	T	A	-0.8204
33	A	A	0.0598
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	-1.3703
41	P	A	-1.0283
42	G	A	-1.3371
43	K	A	-1.9242
44	A	A	-1.2746
45	P	A	0.0000
46	K	A	-1.2832
47	L	A	0.0000
48	L	A	0.0000
49	I	A	0.0000
50	Y	A	1.2394
51	S	A	0.6867
52	A	A	0.0000
53	S	A	0.6381
54	F	A	2.0857
55	L	A	1.3010
56	Y	A	0.0000
57	S	A	-0.0787
58	G	A	-0.5387
59	V	A	0.0000
60	P	A	-0.4125
61	S	A	-0.4259
62	R	A	-0.4326
63	F	A	0.0000
64	S	A	0.1030
65	G	A	0.0808
66	S	A	-0.5772
67	R	A	-1.6828
68	S	A	-1.5533
69	G	A	-1.8477
70	T	A	-2.1579
71	D	A	-1.8764
72	F	A	0.0000
73	T	A	-0.7158
74	L	A	0.0000
75	T	A	-0.3117
76	I	A	0.0000
77	S	A	-0.8999
78	S	A	-0.4189
79	L	A	0.0000
80	Q	A	0.0000
81	P	A	-0.2555
82	E	A	-1.0398
83	D	A	0.0000
84	F	A	-0.6868
85	A	A	0.0000
86	T	A	0.0000
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	0.5848
93	Y	A	0.8073
94	T	A	0.3318
95	T	A	-0.2896
96	P	A	-0.7593
97	P	A	0.0000
98	T	A	-0.6029
99	F	A	-0.5508
100	G	A	0.0000
101	Q	A	-1.8180
102	G	A	0.0000
103	T	A	0.0000
104	K	A	-1.9423
105	V	A	0.0000
106	E	A	-1.0836
107	I	A	0.0000
108	K	A	-1.1200
109	G	A	-0.8385
110	G	A	-0.7854
111	S	A	-0.7874
112	G	A	-0.9706
113	G	A	0.0000
114	G	A	-0.8429
115	S	A	-0.6867
116	G	A	-1.0052
117	G	A	-1.2420
118	G	A	-0.8241
119	S	A	-1.1837
120	G	A	-1.2464
121	G	A	-1.3702
122	G	A	-1.3229
123	S	A	-0.8700
124	G	A	-1.5094
125	G	A	-1.7146
126	G	A	-1.6632
127	S	A	-1.4732
128	G	A	-1.7961
129	E	A	-2.6089
130	V	A	-1.4669
131	Q	A	-1.4171
132	L	A	0.0000
133	V	A	0.2313
134	E	A	0.0000
135	S	A	-0.4870
136	G	A	-0.7548
137	G	A	-0.1051
138	G	A	0.5524
139	L	A	1.1933
140	V	A	0.0000
141	Q	A	-1.4725
142	P	A	-1.6418
143	G	A	-1.4777
144	G	A	-1.0083
145	S	A	-1.2825
146	L	A	-1.0611
147	R	A	-2.0654
148	L	A	0.0000
149	S	A	-0.4261
150	C	A	0.0000
151	A	A	-0.2796
152	A	A	0.0000
153	S	A	-1.2883
154	G	A	-1.5614
155	F	A	-1.3563
156	N	A	-2.1244
157	I	A	0.0000
158	K	A	-2.3274
159	D	A	-2.5774
160	T	A	0.0000
161	Y	A	0.0542
162	I	A	0.0000
163	H	A	0.0000
164	W	A	0.0000
165	V	A	0.0000
166	R	A	0.0000
167	Q	A	-0.7369
168	A	A	-1.1444
169	P	A	-0.9341
170	G	A	-1.5047
171	K	A	-2.3977
172	G	A	-1.6610
173	L	A	0.0000
174	E	A	-1.1671
175	W	A	0.0000
176	V	A	0.0000
177	A	A	0.0000
178	R	A	-0.3499
179	I	A	0.0000
180	Y	A	-0.3131
181	P	A	0.0000
182	T	A	-1.1922
183	N	A	-1.1269
184	G	A	-0.3716
185	Y	A	0.5315
186	T	A	-0.2464
187	R	A	-1.5165
188	Y	A	-1.6722
189	A	A	0.0000
190	D	A	-2.6526
191	S	A	-1.7926
192	V	A	0.0000
193	K	A	-2.7968
194	G	A	-1.7476
195	R	A	-1.4189
196	F	A	0.0000
197	T	A	-0.9649
198	I	A	0.0000
199	S	A	-0.0666
200	A	A	-0.6845
201	D	A	-1.3405
202	T	A	-1.4712
203	S	A	-1.5139
204	K	A	-2.2307
205	N	A	-1.7267
206	T	A	0.0000
207	A	A	0.0000
208	Y	A	-0.3157
209	L	A	0.0000
210	Q	A	-1.0784
211	M	A	0.0000
212	N	A	-1.4031
213	S	A	-1.2635
214	L	A	0.0000
215	R	A	-2.3516
216	A	A	-1.7684
217	E	A	-2.2489
218	D	A	0.0000
219	T	A	-0.4608
220	A	A	0.0000
221	V	A	0.5515
222	Y	A	0.0000
223	Y	A	0.0000
224	C	A	0.0000
225	S	A	0.0000
226	R	A	0.0000
227	W	A	0.2008
228	G	A	-0.1083
229	G	A	0.0000
230	D	A	-1.9579
231	G	A	-0.8417
232	F	A	0.4494
233	Y	A	1.2115
234	A	A	0.0000
235	M	A	0.0000
236	D	A	0.0000
237	Y	A	0.0372
238	W	A	-0.1884
239	G	A	0.0000
240	Q	A	-1.2564
241	G	A	0.0000
242	T	A	0.3059
243	L	A	1.2103
244	V	A	0.0000
245	T	A	0.2362
246	V	A	0.0000
247	S	A	-0.9264
248	S	A	-0.8141
249	G	A	-0.7032
250	S	A	-0.6803
251	A	A	-0.6564
252	A	A	-1.2115
253	E	A	-2.3820
254	P	A	-2.1043
255	K	A	-2.6437
256	S	A	-2.1756
257	S	A	-2.0375
258	D	A	-3.1597
259	K	A	-2.9646
260	T	A	-1.8741
261	H	A	-1.3649
262	T	A	-0.5709
263	C	A	-0.1266
264	P	A	-0.2039
265	P	A	-0.1015
266	C	A	0.1895
267	P	A	-0.1745
268	A	A	-0.1585
269	P	A	-0.4579
270	E	A	-0.1674
271	L	A	0.6093
272	L	A	1.4085
273	G	A	0.0750
274	G	A	-0.7163
275	P	A	0.0000
276	S	A	-0.4213
277	V	A	0.0000
278	F	A	1.2590
279	L	A	1.0614
280	F	A	1.2477
281	P	A	-0.1215
282	P	A	0.0000
283	K	A	-2.1059
284	P	A	-1.3129
285	K	A	-1.0459
286	D	A	-1.0546
287	T	A	0.0000
288	L	A	0.0000
289	M	A	0.5074
290	I	A	1.6404
291	S	A	0.3337
292	R	A	-0.7619
293	T	A	-0.4327
294	P	A	0.0000
295	E	A	-0.9022
296	V	A	0.0000
297	T	A	0.3857
298	C	A	0.0000
299	V	A	0.8259
300	V	A	0.0000
301	V	A	-0.9354
302	D	A	-1.7085
303	V	A	0.0000
304	S	A	-2.3043
305	H	A	-2.6450
306	E	A	-2.9836
307	D	A	-2.6127
308	P	A	-2.7521
309	E	A	-3.1137
310	V	A	-2.0347
311	K	A	-2.2132
312	F	A	-1.2102
313	N	A	-1.2423
314	W	A	0.0000
315	Y	A	-0.9215
316	V	A	-1.0448
317	D	A	-2.0089
318	G	A	-0.9648
319	V	A	0.4221
320	E	A	-1.2992
321	V	A	-0.8859
322	H	A	-2.0258
323	N	A	-2.2186
324	A	A	-1.7227
325	K	A	-2.3272
326	T	A	-1.8279
327	K	A	-2.2434
328	P	A	-2.3474
329	R	A	-3.5064
330	E	A	-3.5786
331	E	A	-3.3960
332	Q	A	-1.7342
333	Y	A	0.1538
334	N	A	-0.7650
335	S	A	-1.0748
336	T	A	-2.0204
337	Y	A	-2.7115
338	R	A	-2.4374
339	V	A	0.0000
340	V	A	-0.7663
341	S	A	0.0000
342	V	A	-0.6807
343	L	A	0.0000
344	T	A	-0.5578
345	V	A	0.0000
346	L	A	0.8140
347	H	A	-0.0854
348	Q	A	-1.2582
349	D	A	-1.4873
350	W	A	0.0000
351	L	A	-1.2300
352	N	A	-2.2415
353	G	A	-2.2742
354	K	A	-2.4895
355	E	A	-2.5592
356	Y	A	0.0000
357	K	A	-1.5528
358	C	A	0.0000
359	K	A	-1.4286
360	V	A	0.0000
361	S	A	-1.4865
362	N	A	0.0000
363	K	A	-2.5604
364	A	A	-1.3228
365	L	A	-0.8012
366	P	A	-0.7006
367	A	A	-0.6567
368	P	A	-1.0835
369	I	A	0.0000
370	E	A	-1.8173
371	K	A	-0.9644
372	T	A	-0.8764
373	I	A	-0.2150
374	S	A	-1.1339
375	K	A	-1.3965
376	A	A	-1.0995
377	K	A	-2.1892
378	G	A	-1.4791
379	Q	A	-1.0250
380	P	A	-0.7577
381	R	A	0.0000
382	E	A	-1.0088
383	P	A	0.0000
384	Q	A	-0.7093
385	V	A	0.0000
386	Y	A	0.0000
387	T	A	-0.8788
388	D	A	0.0000
389	P	A	0.0000
390	P	A	0.0000
391	S	A	-1.5738
392	R	A	-2.8833
393	D	A	-2.6478
394	E	A	0.0000
395	L	A	-1.9624
396	T	A	-1.7280
397	K	A	-2.5367
398	N	A	-2.6287
399	Q	A	-2.5194
400	V	A	0.0000
401	S	A	0.0000
402	L	A	0.0000
403	T	A	0.0000
404	C	A	0.0000
405	E	A	0.0000
406	V	A	0.0000
407	K	A	-0.1888
408	G	A	-0.1911
409	F	A	0.0000
410	Y	A	-0.3223
411	P	A	0.0000
412	S	A	-0.0673
413	D	A	-0.9093
414	I	A	0.0000
415	A	A	0.0000
416	V	A	0.0000
417	E	A	-1.0532
418	W	A	0.0000
419	E	A	-1.8177
420	S	A	0.0000
421	N	A	-1.8139
422	G	A	-1.7628
423	Q	A	-2.3042
424	P	A	-1.9668
425	E	A	-1.9513
426	N	A	-2.2083
427	N	A	-1.7711
428	Y	A	-1.1206
429	K	A	-0.7537
430	T	A	-0.2024
431	T	A	0.0000
432	P	A	-0.0618
433	P	A	0.1477
434	V	A	0.5596
435	L	A	1.1152
436	D	A	0.2184
437	S	A	-0.2507
438	D	A	0.0000
439	G	A	0.1937
440	S	A	0.0000
441	F	A	0.5580
442	F	A	0.0000
443	L	A	0.0000
444	Y	A	0.0000
445	S	A	0.0000
446	K	A	0.0000
447	L	A	0.0000
448	T	A	-1.0055
449	V	A	0.0000
450	D	A	-2.3300
451	K	A	-2.3966
452	S	A	-1.9850
453	R	A	-1.8027
454	W	A	0.0000
455	Q	A	-2.0482
456	Q	A	-1.9848
457	G	A	-1.2783
458	N	A	-0.7811
459	V	A	0.1252
460	F	A	0.0000
461	S	A	0.0000
462	C	A	0.0000
463	S	A	0.0000
464	V	A	0.0000
465	M	A	0.0000
466	H	A	0.0000
467	E	A	-0.7664
468	A	A	-0.7515
469	L	A	-0.9667
470	H	A	-1.6266
471	N	A	-1.6778
472	H	A	-1.0555
473	Y	A	-0.5309
474	T	A	-0.9034
475	Q	A	-1.4860
476	K	A	-1.3626
477	S	A	-0.7620
478	L	A	0.0000
479	S	A	-0.2362
480	L	A	0.0000
481	S	A	-0.7661
482	P	A	-0.9260
483	G	A	-0.8139
484	S	A	-0.9725
485	S	A	-0.8941
486	G	A	-0.9787
487	G	A	-1.2742
488	G	A	-1.3484
489	G	A	-1.3165
490	S	A	-1.4727
491	G	A	-1.4539
492	G	A	-1.2449
493	G	A	-1.4116
494	G	A	-1.3405
495	S	A	-1.4630
496	G	A	-1.7743
497	G	A	-2.2994
498	Q	A	-2.4846
499	V	A	0.0000
500	Q	A	-2.0047
501	L	A	0.0000
502	Q	A	-1.3551
503	E	A	0.0000
504	S	A	-0.9544
505	G	A	-0.9259
506	G	A	-0.7918
507	G	A	0.0580
508	L	A	0.9099
509	V	A	0.0000
510	Q	A	-1.5087
511	T	A	-1.7949
512	G	A	-1.9398
513	G	A	-1.3322
514	S	A	-1.4884
515	L	A	-1.1170
516	R	A	-1.9536
517	L	A	0.0000
518	S	A	-0.4846
519	C	A	0.0000
520	V	A	0.2519
521	S	A	0.0000
522	S	A	-1.6774
523	G	A	-2.5779
524	R	A	-3.3209
525	E	A	-3.5332
526	R	A	-3.2364
527	T	A	0.0000
528	A	A	0.0000
529	M	A	0.0000
530	G	A	0.0000
531	W	A	0.0000
532	F	A	0.0000
533	R	A	0.0000
534	Q	A	-1.8822
535	A	A	-1.8610
536	P	A	-1.3574
537	G	A	-1.9031
538	K	A	-3.2264
539	E	A	-3.3854
540	R	A	-2.3975
541	E	A	-2.2499
542	L	A	0.0000
543	V	A	0.0000
544	G	A	0.0000
545	S	A	0.0000
546	I	A	0.0000
547	T	A	0.0000
548	S	A	0.0000
549	T	A	-0.9344
550	G	A	-1.0300
551	G	A	-0.7141
552	D	A	-0.5664
553	T	A	-0.4056
554	Y	A	0.0000
555	I	A	0.0000
556	A	A	0.0000
557	D	A	-2.3421
558	A	A	-1.2733
559	M	A	0.0000
560	Q	A	-2.0987
561	G	A	-1.5512
562	R	A	0.0000
563	F	A	0.0000
564	T	A	-0.7552
565	I	A	0.0000
566	S	A	-0.5408
567	R	A	-1.0852
568	D	A	-1.5144
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