Project name: bfbb388b57aee48

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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:06)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:06)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:06)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:06)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:45:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:46:24)

• Minimal score value: -4.1195
• Maximal score value: 2.2236
• Average score: -0.7145
• Total score value: -1473.3162

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	Q	A	-1.6886
2	V	A	0.0000
3	Q	A	-1.8320
4	L	A	0.0000
5	Q	A	-1.4107
6	E	A	0.0000
7	S	A	-0.5873
8	G	A	-0.4844
9	P	A	-0.4041
10	G	A	-0.3659
11	L	A	-0.1289
12	V	A	0.0000
13	K	A	-1.4005
14	P	A	-1.1460
15	S	A	-1.2459
16	E	A	-1.7445
17	T	A	-1.2865
18	L	A	0.0000
19	S	A	-0.7828
20	L	A	0.0000
21	T	A	-0.5843
22	C	A	0.0000
23	T	A	-1.1786
24	V	A	0.0000
25	S	A	-1.5773
26	G	A	-1.2946
27	F	A	0.0000
28	S	A	-1.1317
29	L	A	0.0000
30	K	A	-2.1651
31	T	A	0.0000
32	Y	A	-0.5381
33	G	A	0.0000
34	V	A	0.0000
35	S	A	0.0000
36	W	A	0.0000
37	I	A	0.0000
38	R	A	0.0000
39	Q	A	-0.7722
40	P	A	-0.8952
41	P	A	-0.9937
42	G	A	-1.4763
43	K	A	-2.3489
44	G	A	-1.5867
45	L	A	0.0000
46	E	A	-1.0951
47	W	A	0.0000
48	I	A	0.0000
49	G	A	0.0000
50	Y	A	0.0000
51	I	A	0.0000
52	W	A	0.0000
53	G	A	0.0000
54	D	A	-1.4339
55	G	A	-1.1719
56	N	A	-0.8966
57	T	A	-0.4208
58	N	A	0.0000
59	Y	A	-0.2483
60	N	A	0.0000
61	P	A	-1.1036
62	S	A	-0.5110
63	L	A	0.0000
64	K	A	-0.9957
65	S	A	-0.8193
66	R	A	-1.0447
67	V	A	0.0000
68	T	A	-0.7197
69	I	A	0.0000
70	S	A	-0.7141
71	K	A	-1.2522
72	D	A	-1.5514
73	T	A	-1.6314
74	S	A	-1.6620
75	K	A	-1.9224
76	N	A	-1.5834
77	Q	A	-1.1701
78	F	A	0.0000
79	S	A	-0.5779
80	L	A	0.0000
81	K	A	-1.2353
82	L	A	0.0000
83	S	A	-1.0709
84	S	A	-1.1240
85	V	A	0.0000
86	T	A	-0.5101
87	A	A	-0.1400
88	A	A	0.0157
89	D	A	0.0000
90	T	A	0.0657
91	A	A	0.0000
92	V	A	0.1637
93	Y	A	0.0000
94	Y	A	0.0000
95	C	A	0.0000
96	A	A	0.0000
97	R	A	0.0000
98	P	A	0.1288
99	Y	A	0.1092
100	Y	A	-0.1092
101	G	A	0.0000
102	N	A	0.0000
103	S	A	0.0000
104	L	A	0.0000
105	D	A	-0.1526
106	Y	A	-0.1550
107	W	A	-0.6891
108	G	A	0.0000
109	Q	A	-1.7507
110	G	A	0.0000
111	T	A	-0.2578
112	L	A	0.0706
113	V	A	0.0000
114	T	A	-0.1235
115	V	A	0.0000
116	S	A	-0.4465
117	S	A	-0.5621
118	A	A	-0.1449
119	S	A	-0.1575
120	T	A	-0.3984
121	K	A	-0.7826
122	G	A	-1.1896
123	P	A	0.0000
124	S	A	-0.2294
125	V	A	-0.2254
126	F	A	0.0000
127	P	A	-0.9493
128	L	A	0.0000
129	A	A	-1.0850
130	P	A	0.0000
131	S	A	-0.6794
132	S	A	-0.5414
133	K	A	-1.0518
134	S	A	0.0000
135	T	A	-0.6439
136	S	A	-0.6801
137	G	A	-0.8112
138	G	A	-0.8744
139	T	A	-0.6138
140	A	A	0.0000
141	A	A	0.0000
142	L	A	0.0000
143	G	A	0.0000
144	C	A	0.0000
145	L	A	0.0000
146	V	A	0.0000
147	K	A	0.0000
148	D	A	-0.2772
149	Y	A	0.0000
150	F	A	0.0000
151	P	A	0.0000
152	E	A	-0.3803
153	P	A	-0.6794
154	V	A	0.0000
155	T	A	-0.6884
156	V	A	-0.3013
157	S	A	-0.2830
158	W	A	0.0000
159	N	A	-0.5254
160	S	A	-0.2441
161	G	A	-0.1992
162	A	A	-0.1552
163	L	A	0.0509
164	T	A	-0.1230
165	S	A	-0.1686
166	G	A	-0.1723
167	V	A	0.1819
168	H	A	-0.2611
169	T	A	0.0295
170	F	A	0.0000
171	P	A	-0.2019
172	A	A	0.3284
173	V	A	0.6689
174	L	A	1.2500
175	Q	A	0.3353
176	S	A	-0.0556
177	S	A	-0.2170
178	G	A	0.0288
179	L	A	0.2388
180	Y	A	0.5317
181	S	A	0.0000
182	L	A	0.0000
183	S	A	0.0000
184	S	A	0.0000
185	V	A	0.0000
186	V	A	0.0000
187	T	A	-0.1224
188	V	A	0.0000
189	P	A	-0.6044
190	S	A	-0.5709
191	S	A	-0.5674
192	S	A	-0.5367
193	L	A	-0.7146
194	G	A	-0.9146
195	T	A	-0.6518
196	Q	A	-1.0966
197	T	A	-1.0084
198	Y	A	0.0000
199	I	A	-0.9208
200	C	A	0.0000
201	N	A	-0.7133
202	V	A	0.0000
203	N	A	-1.7219
204	H	A	0.0000
205	K	A	-2.5327
206	P	A	-1.3955
207	S	A	0.0000
208	N	A	-2.1321
209	T	A	-1.5294
210	K	A	-1.6244
211	V	A	-0.6058
212	D	A	-1.0945
213	K	A	-1.4165
214	K	A	-1.9755
215	V	A	0.0000
216	E	A	-2.5671
217	P	A	-1.3594
218	K	A	-1.5988
219	S	A	-1.5206
220	C	A	-1.0984
221	D	A	-2.3904
222	K	A	-2.7131
223	T	A	-1.5201
224	H	A	-1.5170
225	T	A	-0.7513
226	C	A	0.0222
227	P	A	-0.2785
228	P	A	-0.1112
229	C	A	0.5345
230	P	A	-0.0925
231	A	A	-0.5408
232	P	A	-0.5082
233	E	A	-0.7154
234	L	A	0.1087
235	L	A	0.0464
236	G	A	-0.4052
237	G	A	0.0000
238	P	A	0.0000
239	S	A	0.5790
240	V	A	0.0000
241	F	A	2.2236
242	L	A	0.0000
243	F	A	1.0956
244	P	A	-0.1273
245	P	A	0.0000
246	K	A	-1.6656
247	P	A	-1.0308
248	K	A	-0.9845
249	D	A	0.0000
250	T	A	0.0000
251	L	A	0.0000
252	M	A	0.3419
253	I	A	1.4993
254	S	A	0.1068
255	R	A	-1.0565
256	T	A	-0.4999
257	P	A	0.0000
258	E	A	-0.6635
259	V	A	0.0000
260	T	A	0.0000
261	C	A	0.0000
262	V	A	0.9239
263	V	A	0.0000
264	V	A	-0.1572
265	D	A	0.0000
266	V	A	0.0000
267	S	A	-1.9519
268	H	A	-2.4327
269	E	A	-2.8471
270	D	A	-2.3342
271	P	A	-2.6902
272	E	A	-2.6872
273	V	A	0.0000
274	K	A	-2.3919
275	F	A	-1.2003
276	N	A	-0.8515
277	W	A	0.0000
278	Y	A	0.0000
279	V	A	-0.0898
280	D	A	-0.7351
281	G	A	-0.0107
282	V	A	1.0714
283	E	A	-0.2395
284	V	A	-0.3904
285	H	A	-1.6397
286	N	A	-2.1158
287	A	A	-1.8709
288	K	A	-2.5994
289	T	A	-2.3906
290	K	A	-3.1173
291	P	A	-2.9975
292	R	A	-4.0934
293	E	A	-4.1195
294	E	A	-3.4695
295	Q	A	-1.5916
296	Y	A	-0.0885
297	N	A	-0.7005
298	S	A	-1.1020
299	T	A	0.0000
300	Y	A	0.0000
301	R	A	-2.7920
302	V	A	0.0000
303	V	A	-1.1799
304	S	A	0.0000
305	V	A	-1.0014
306	L	A	0.0000
307	T	A	-0.4654
308	V	A	0.0000
309	L	A	0.8314
310	H	A	-0.0467
311	Q	A	-1.1882
312	D	A	-1.3100
313	W	A	0.0000
314	L	A	-1.0321
315	N	A	-2.0629
316	G	A	-1.8802
317	K	A	-1.7049
318	E	A	-1.5058
319	Y	A	0.0000
320	K	A	0.0000
321	C	A	0.0000
322	K	A	-0.7893
323	V	A	0.0000
324	S	A	-1.3366
325	N	A	0.0000
326	K	A	-2.4582
327	A	A	-1.6429
328	L	A	0.0000
329	P	A	-0.7198
330	A	A	-0.5399
331	P	A	-0.7115
332	I	A	0.0000
333	E	A	0.0000
334	K	A	0.0755
335	T	A	-0.1114
336	I	A	-0.0166
337	S	A	-0.9261
338	K	A	-1.1703
339	A	A	-0.9099
340	K	A	-2.0667
341	G	A	-2.2151
342	Q	A	-2.5576
343	P	A	-1.6544
344	R	A	-1.9624
345	E	A	-2.1300
346	P	A	0.0000
347	Q	A	-0.9915
348	V	A	0.0000
349	Y	A	0.0000
350	T	A	-0.9458
351	L	A	0.0000
352	P	A	-0.2342
353	P	A	0.0000
354	S	A	0.0000
355	R	A	-2.2955
356	D	A	-2.1258
357	E	A	0.0000
358	L	A	-1.4324
359	T	A	-1.2109
360	K	A	-1.9121
361	N	A	-2.3156
362	Q	A	-2.1262
363	V	A	0.0000
364	S	A	0.0000
365	L	A	0.0000
366	T	A	0.0000
367	C	A	0.0000
368	L	A	0.0000
369	V	A	0.0000
370	K	A	-0.5514
371	G	A	0.0000
372	F	A	0.0000
373	Y	A	0.0000
374	P	A	0.0000
375	S	A	-0.2989
376	D	A	-0.8319
377	I	A	0.0000
378	A	A	0.0000
379	V	A	0.0000
380	E	A	-1.0362
381	W	A	0.0000
382	E	A	-1.6576
383	S	A	0.0000
384	N	A	-1.7717
385	G	A	-1.7102
386	Q	A	-2.2846
387	P	A	-1.8865
388	E	A	-1.7190
389	N	A	-1.8543
390	N	A	-1.0953
391	Y	A	-0.7458
392	K	A	-0.6171
393	T	A	-0.2339
394	T	A	0.0000
395	P	A	-0.1990
396	P	A	-0.0615
397	V	A	0.2209
398	L	A	0.2225
399	D	A	0.0000
400	S	A	-1.0987
401	D	A	-1.8949
402	G	A	-0.8416
403	S	A	0.0000
404	F	A	0.0000
405	F	A	0.0000
406	L	A	0.0000
407	Y	A	0.0000
408	S	A	0.0000
409	K	A	0.0000
410	L	A	0.0000
411	T	A	-0.8038
412	V	A	0.0000
413	D	A	-2.5500
414	K	A	-2.5893
415	S	A	-2.2780
416	R	A	-2.0097
417	W	A	0.0000
418	Q	A	-2.2925
419	Q	A	-2.0623
420	G	A	-1.0020
421	N	A	-0.6864
422	V	A	0.3430
423	F	A	0.0000
424	S	A	-1.1450
425	C	A	0.0000
426	S	A	0.0000
427	V	A	0.0000
428	M	A	-0.5179
429	H	A	0.0000
430	E	A	-1.0510
431	A	A	-1.3750
432	L	A	-1.2934
433	H	A	-1.7082
434	N	A	-1.6915
435	H	A	-1.1561
436	Y	A	-0.5585
437	T	A	-0.9285
438	Q	A	-1.7364
439	K	A	-1.8070
440	S	A	-1.2391
441	L	A	0.0000
442	S	A	-0.2447
443	L	A	0.0184
444	S	A	-0.4508
445	P	A	-0.6013
446	G	A	-1.1625
447	K	A	-2.3013
448	G	A	0.0000
449	G	A	0.0000
450	G	A	0.0000
451	G	A	0.0000
452	S	A	-0.5456
453	G	A	-1.0138
454	G	A	-1.3894
455	G	A	-0.9501
456	G	A	-1.0388
457	S	A	0.0000
458	G	A	0.0000
459	G	A	-2.6877
460	G	A	-1.6661
461	G	A	-1.0915
462	S	A	-0.5568
463	G	A	-0.7878
464	G	A	-0.9369
465	G	A	-1.0322
466	G	A	-1.4843
467	S	A	-1.5974
468	E	A	-2.0722
469	L	A	-0.9546
470	C	A	0.0000
471	D	A	-1.9682
472	D	A	-1.8541
473	D	A	-1.6553
474	P	A	0.0000
475	P	A	-1.1471
476	E	A	-0.8235
477	I	A	0.0000
478	P	A	-0.5681
479	H	A	0.0000
480	A	A	0.0000
481	T	A	0.0000
482	F	A	0.0000
483	K	A	-0.1957
484	A	A	0.0000
485	M	A	-0.6594
486	A	A	-0.9698
487	Y	A	0.0000
488	K	A	-1.0447
489	E	A	-1.2496
490	G	A	-0.6210
491	T	A	0.0000
492	M	A	0.0000
493	L	A	0.0000
494	N	A	0.0000
495	C	A	0.0000
496	E	A	0.0000
497	C	A	0.0000
498	K	A	-0.9655
499	R	A	0.0000
500	G	A	0.0000
501	F	A	-0.4155
502	R	A	0.0000
503	R	A	0.0000
504	I	A	-0.6562
505	K	A	-1.8969
506	S	A	-1.4186
507	G	A	-1.2310
508	S	A	-1.1638
509	L	A	0.0000
510	Y	A	-0.3425
511	M	A	0.0000
512	L	A	-0.6145
513	C	A	0.0000
514	T	A	-1.3539
515	G	A	-1.8011
516	N	A	-2.1694
517	S	A	-1.5078
518	S	A	-1.3026
519	H	A	-1.8079
520	S	A	-1.8796
521	S	A	-1.5398
522	W	A	-1.5034
523	D	A	-2.1315
524	N	A	-2.1080
525	Q	A	-2.2236
526	C	A	-1.6941
527	Q	A	-1.9854
528	C	A	0.0000
529	T	A	-0.6943
530	S	A	-0.1780
531	S	A	-0.3363
532	A	A	-0.2310
533	T	A	-0.6945
534	R	A	-1.5831
535	Q	A	-1.5491
536	T	A	-1.2008
537	T	A	-0.8803
538	K	A	-1.1998
539	Q	A	-1.3996
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