Project name: tri_6

Chain sequence(s)	A: GDIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKGGSGGGSGGGSGGGSGGGSGEVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSGSAAEPKSSDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYVLPPSRDELTKNQVSLLCLVKGFYPSDIAVEWESNGQPENNYLTWPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGGSSGGGSGGGSGGGSGD; C: GDIQMTQSPSSLSASVGDRVTITCKASQDVSIGVAWYQQKPGKAPKLLIYSASYRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYYIYPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECGS; B: GEVQLVESGGGLVQPGGSLRLSCAASGFTFTDYTMDWVRQAPGKGLEWVADVNPNSGGSIYNQRFKGRFTLSVDRSKNTLYLQMNSLRAEDTAVYYCARNLGPSFYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVGSEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYVYPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFALVSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGSS
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]                                                (00:00:00)
[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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:14:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:15:13)

• Minimal score value: -3.5515
• Maximal score value: 2.192
• Average score: -0.6341
• Total score value: -741.8938

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	0.0000
2	D	A	0.0000
3	I	A	0.0000
4	Q	A	0.0000
5	M	A	0.0000
6	T	A	0.0000
7	Q	A	0.0000
8	S	A	0.0000
9	P	A	0.0000
10	S	A	0.0000
11	S	A	0.0000
12	L	A	-0.6786
13	S	A	-1.2254
14	A	A	0.0000
15	S	A	-1.1730
16	V	A	-0.4234
17	G	A	-0.9952
18	D	A	-1.8813
19	R	A	-2.3911
20	V	A	0.0000
21	T	A	-0.5902
22	I	A	0.0000
23	T	A	-0.2457
24	C	A	0.0000
25	R	A	-0.7150
26	A	A	0.0000
27	S	A	-0.4608
28	Q	A	-1.0598
29	D	A	-1.5295
30	V	A	0.0000
31	N	A	-0.9067
32	T	A	-0.1931
33	A	A	0.0490
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	-1.7345
41	P	A	-1.2888
42	G	A	-1.7012
43	K	A	-2.7426
44	A	A	-1.7866
45	P	A	0.0000
46	K	A	-1.8574
47	L	A	0.0000
48	L	A	0.0000
49	I	A	0.0000
50	Y	A	1.1997
51	S	A	0.7086
52	A	A	0.0000
53	S	A	0.7588
54	F	A	2.1920
55	L	A	1.4078
56	Y	A	0.5674
57	S	A	0.0152
58	G	A	-0.4899
59	V	A	0.0000
60	P	A	-0.3643
61	S	A	-0.3951
62	R	A	-0.7483
63	F	A	0.0000
64	S	A	0.0885
65	G	A	0.1605
66	S	A	-0.4442
67	R	A	-1.1056
68	S	A	-0.9674
69	G	A	-1.3504
70	T	A	-1.2624
71	D	A	-0.9716
72	F	A	0.0000
73	T	A	-0.4255
74	L	A	0.0000
75	T	A	-0.5966
76	I	A	0.0000
77	S	A	-1.3643
78	S	A	-1.3301
79	L	A	0.0000
80	Q	A	-0.8028
81	P	A	-0.9469
82	E	A	-1.1883
83	D	A	0.0000
84	F	A	-0.1736
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	0.0000
93	Y	A	0.4071
94	T	A	0.0000
95	T	A	0.0000
96	P	A	-0.2616
97	P	A	0.0000
98	T	A	0.0000
99	F	A	0.0000
100	G	A	0.0000
101	Q	A	-1.0081
102	G	A	0.0000
103	T	A	0.0000
104	K	A	-1.2169
105	V	A	0.0000
106	E	A	-1.2558
107	I	A	-1.1883
108	K	A	-2.0183
109	G	A	-1.5220
110	G	A	-1.3664
111	S	A	-1.1559
112	G	A	-1.1871
113	G	A	-1.1583
114	G	A	-1.1835
115	S	A	-1.0472
116	G	A	-1.1750
117	G	A	-1.1743
118	G	A	-1.1643
119	S	A	-1.0839
120	G	A	-1.1675
121	G	A	-1.1750
122	G	A	-1.1771
123	S	A	-1.0623
124	G	A	-1.1670
125	G	A	-1.4109
126	G	A	-1.4000
127	S	A	-1.4188
128	G	A	-1.8667
129	E	A	-2.4592
130	V	A	-1.3124
131	Q	A	-1.1225
132	L	A	0.0000
133	V	A	0.2581
134	E	A	0.0000
135	S	A	-0.3086
136	G	A	-0.4505
137	G	A	0.2731
138	G	A	0.7546
139	L	A	1.3425
140	V	A	-0.0335
141	Q	A	-1.3082
142	P	A	-1.1838
143	G	A	-1.3004
144	G	A	-0.6851
145	S	A	-0.7464
146	L	A	-0.4854
147	R	A	-1.3470
148	L	A	0.0000
149	S	A	-0.3803
150	C	A	0.0000
151	A	A	-0.3019
152	A	A	-0.6627
153	S	A	-1.2376
154	G	A	-1.6443
155	F	A	-1.3635
156	N	A	-1.9609
157	I	A	0.0000
158	K	A	-1.5682
159	D	A	-1.9186
160	T	A	0.0000
161	Y	A	-0.2824
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	-0.6813
168	A	A	-0.8072
169	P	A	-0.8589
170	G	A	-1.3565
171	K	A	-2.1153
172	G	A	-1.5469
173	L	A	0.0000
174	E	A	-1.1533
175	W	A	0.0000
176	V	A	0.0000
177	A	A	0.0000
178	R	A	0.0000
179	I	A	0.0000
180	Y	A	0.0000
181	P	A	0.0000
182	T	A	0.0000
183	N	A	-0.4698
184	G	A	0.0000
185	Y	A	0.0800
186	T	A	0.0000
187	R	A	-0.4399
188	Y	A	-0.6744
189	A	A	0.0000
190	D	A	-1.5393
191	S	A	-1.1917
192	V	A	0.0000
193	K	A	-2.0650
194	G	A	-0.8670
195	R	A	0.0000
196	F	A	0.0000
197	T	A	-0.5893
198	I	A	0.0000
199	S	A	0.0000
200	A	A	0.0000
201	D	A	-1.3512
202	T	A	-1.5728
203	S	A	-1.5772
204	K	A	-2.2372
205	N	A	-1.7464
206	T	A	0.0000
207	A	A	0.0000
208	Y	A	0.0000
209	L	A	0.0000
210	Q	A	-0.6565
211	M	A	0.0000
212	N	A	0.0000
213	S	A	-0.6333
214	L	A	0.0000
215	R	A	-1.3476
216	A	A	-0.7811
217	E	A	-0.7771
218	D	A	0.0000
219	T	A	0.2115
220	A	A	0.0000
221	V	A	0.7118
222	Y	A	0.0000
223	Y	A	0.0000
224	C	A	0.0000
225	S	A	0.0000
226	R	A	-0.0093
227	W	A	0.0000
228	G	A	0.0000
229	G	A	-1.3827
230	D	A	-2.4193
231	G	A	-1.2422
232	F	A	-0.2480
233	Y	A	0.4301
234	A	A	0.0000
235	M	A	0.0000
236	D	A	0.0000
237	Y	A	-0.0418
238	W	A	-0.4726
239	G	A	0.0000
240	Q	A	-1.3471
241	G	A	0.0000
242	T	A	0.5051
243	L	A	1.5823
244	V	A	0.0000
245	T	A	0.6136
246	V	A	0.0000
247	S	A	-0.6313
248	S	A	-0.7808
249	G	A	-0.6773
250	S	A	-0.6634
251	A	A	-0.4100
252	A	A	-1.2832
253	E	A	-2.4640
254	P	A	-2.0205
255	K	A	-2.7287
256	S	A	-2.0882
257	S	A	-2.1458
258	D	A	-3.1268
259	K	A	-3.0100
260	T	A	-1.7931
261	H	A	-1.6359
262	T	A	-0.5748
263	C	A	0.3197
264	P	A	-0.0323
265	P	A	0.1059
266	C	A	0.5135
267	P	A	-0.4190
268	A	A	-0.3455
269	P	A	-0.5521
270	E	A	-0.9227
271	L	A	0.7586
272	L	A	0.9604
273	G	A	0.5013
274	G	A	0.0041
275	P	A	0.0000
276	S	A	0.0000
277	V	A	0.0000
278	F	A	0.0000
279	L	A	0.1615
280	F	A	-0.1260
281	P	A	-0.5260
282	P	A	0.0000
283	K	A	-1.6574
284	P	A	-1.2520
285	K	A	-1.1804
286	D	A	-1.1237
287	T	A	0.0000
288	L	A	0.0000
289	M	A	0.1461
290	I	A	1.2370
291	S	A	0.0170
292	R	A	-1.2019
293	T	A	-0.6913
294	P	A	0.0000
295	E	A	-1.2770
296	V	A	0.0000
297	T	A	-0.4166
298	C	A	0.0000
299	V	A	0.0000
300	V	A	0.0000
301	V	A	0.0000
302	D	A	-0.5289
303	V	A	0.0000
304	S	A	-1.8183
305	H	A	-2.5396
306	E	A	-3.0047
307	D	A	-2.6424
308	P	A	-2.7352
309	E	A	-3.1223
310	V	A	-2.0301
311	K	A	-2.2534
312	F	A	-1.2539
313	N	A	-0.8940
314	W	A	0.0000
315	Y	A	0.0184
316	V	A	0.0878
317	D	A	-0.6797
318	G	A	-0.2529
319	V	A	1.1215
320	E	A	-0.4870
321	V	A	-0.6008
322	H	A	-1.8854
323	N	A	-2.1862
324	A	A	-1.8798
325	K	A	-2.4083
326	T	A	-1.8473
327	K	A	-1.9246
328	P	A	-1.8140
329	R	A	-2.4634
330	E	A	-1.9284
331	E	A	-1.8040
332	Q	A	0.0000
333	Y	A	-0.8066
334	N	A	-1.1187
335	S	A	-1.2147
336	T	A	0.0000
337	Y	A	0.0000
338	R	A	-1.1958
339	V	A	0.0000
340	V	A	0.0000
341	S	A	0.0000
342	V	A	0.0000
343	L	A	0.0000
344	T	A	-0.7547
345	V	A	0.0000
346	L	A	0.6095
347	H	A	0.0000
348	Q	A	-1.0272
349	D	A	-1.1624
350	W	A	0.0000
351	L	A	-0.9888
352	N	A	-1.7423
353	G	A	0.0000
354	K	A	-1.3227
355	E	A	0.0000
356	Y	A	0.0000
357	K	A	0.0000
358	C	A	0.0000
359	K	A	-0.8332
360	V	A	0.0000
361	S	A	-1.3894
362	N	A	0.0000
363	K	A	-2.5987
364	A	A	-1.2925
365	L	A	0.0000
366	P	A	-0.6227
367	A	A	-0.4404
368	P	A	-0.6925
369	I	A	0.0000
370	E	A	-0.3584
371	K	A	0.0000
372	T	A	0.0000
373	I	A	0.0000
374	S	A	0.0000
375	K	A	-0.9169
376	A	A	-0.8860
377	K	A	-1.1765
378	G	A	-1.4897
379	Q	A	-1.9005
380	P	A	-1.7347
381	R	A	-2.4258
382	E	A	-2.7764
383	P	A	0.0000
384	Q	A	-1.2187
385	V	A	0.0000
386	Y	A	0.0000
387	V	A	-0.5240
388	L	A	0.0000
389	P	A	-0.2885
390	P	A	0.0000
391	S	A	0.0000
392	R	A	-2.6088
393	D	A	-2.8160
394	E	A	0.0000
395	L	A	-1.7980
396	T	A	-1.5885
397	K	A	-2.1722
398	N	A	-2.4007
399	Q	A	-2.1330
400	V	A	0.0000
401	S	A	0.0000
402	L	A	0.0000
403	L	A	0.0000
404	C	A	0.0000
405	L	A	0.0000
406	V	A	0.0000
407	K	A	-0.6995
408	G	A	0.0000
409	F	A	0.0000
410	Y	A	-1.3811
411	P	A	0.0000
412	S	A	-0.8690
413	D	A	-1.7430
414	I	A	-0.8493
415	A	A	0.0000
416	V	A	0.0000
417	E	A	-1.6196
418	W	A	0.0000
419	E	A	-1.8373
420	S	A	0.0000
421	N	A	-1.8079
422	G	A	-1.7358
423	Q	A	-2.2247
424	P	A	-1.9467
425	E	A	0.0000
426	N	A	-1.9495
427	N	A	-1.2109
428	Y	A	-0.5153
429	L	A	0.0175
430	T	A	-0.0373
431	W	A	0.0000
432	P	A	-0.3935
433	P	A	-0.3678
434	V	A	0.0000
435	L	A	-0.2950
436	D	A	-0.9845
437	S	A	-1.2100
438	D	A	-2.0064
439	G	A	-1.1110
440	S	A	0.0000
441	F	A	0.0000
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	-0.6436
449	V	A	0.0000
450	D	A	-2.1450
451	K	A	-2.2991
452	S	A	-1.9655
453	R	A	-1.7582
454	W	A	0.0000
455	Q	A	-2.0745
456	Q	A	-1.9921
457	G	A	-1.0925
458	N	A	-0.7629
459	V	A	0.1100
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	-1.3913
468	A	A	-1.6678
469	L	A	0.0000
470	H	A	-1.8343
471	N	A	-1.4446
472	H	A	-0.9763
473	Y	A	-0.5929
474	T	A	-0.8041
475	Q	A	-1.2373
476	K	A	-0.8989
477	S	A	-0.3693
478	L	A	0.0000
479	S	A	-0.1175
480	L	A	-0.4041
481	S	A	-0.4451
482	P	A	-0.9515
483	G	A	-0.9181
484	G	A	-1.0389
485	S	A	-0.9442
486	S	A	-0.9897
487	G	A	-1.1145
488	G	A	-1.1502
489	G	A	-1.1800
490	S	A	-1.0658
491	G	A	-1.1652
492	G	A	-1.1550
493	G	A	-1.1359
494	S	A	-1.0202
495	G	A	-1.1266
496	G	A	-1.1318
497	G	A	-1.0557
498	S	A	-1.2409
499	G	A	-1.5797
500	D	A	-2.0609
1	G	B	-1.5487
2	E	B	-2.3048
3	V	B	-1.2639
4	Q	B	-1.2269
5	L	B	0.0000
6	V	B	1.0290
7	E	B	0.0000
8	S	B	-0.1050
9	G	B	-0.4441
10	G	B	-0.1226
11	G	B	-0.2385
12	L	B	0.0860
13	V	B	-0.2548
14	Q	B	-0.8590
15	P	B	-0.7289
16	G	B	-0.2382
17	G	B	0.0000
18	S	B	-0.1429
19	L	B	-0.1215
20	R	B	-0.4213
21	L	B	0.0000
22	S	B	0.0450
23	C	B	0.0000
24	A	B	-0.1650
25	A	B	0.0000
26	S	B	-1.0884
27	G	B	-1.3143
28	F	B	-0.7394
29	T	B	-0.5160
30	F	B	0.0000
31	T	B	-0.9158
32	D	B	-1.4448
33	Y	B	-0.4721
34	T	B	-0.1816
35	M	B	0.0000
36	D	B	0.0000
37	W	B	0.0000
38	V	B	0.0000
39	R	B	0.0000
40	Q	B	-0.6464
41	A	B	-0.8698
42	P	B	-0.9201
43	G	B	-1.2605
44	K	B	-2.0758
45	G	B	-1.2287
46	L	B	0.0000
47	E	B	-0.6022
48	W	B	0.0000
49	V	B	0.0000
50	A	B	0.0000
51	D	B	0.0000
52	V	B	0.0000
53	N	B	-0.4426
54	P	B	0.0000
55	N	B	-0.9556
56	S	B	0.0000
57	G	B	0.0000
58	G	B	-0.1236
59	S	B	-0.0012
60	I	B	0.1093
61	Y	B	0.0000
62	N	B	0.0000
63	Q	B	0.0000
64	R	B	-0.5999
65	F	B	0.0000
66	K	B	-0.4436
67	G	B	-0.4999
68	R	B	-0.6002
69	F	B	0.0000
70	T	B	0.0000
71	L	B	0.0000
72	S	B	0.0000
73	V	B	0.0000
74	D	B	-1.2150
75	R	B	-1.4437
76	S	B	-1.5723
77	K	B	-2.2584
78	N	B	-1.6024
79	T	B	-0.8236
80	L	B	0.0000
81	Y	B	-0.0747
82	L	B	0.0000
83	Q	B	0.0000
84	M	B	0.0000
85	N	B	0.0000
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