Project name: c0d0c9268ac8074

Chain sequence(s)	A: DIVMTQSPGSLAVSAGESVSINCKSSQSLLYSSNQKNYLAWYQQKPGESPKLLIYWASTRESGVPDRFSGSGSGTDFTLTINNVQAEDVGVYYCQQYYSNPYTFGQGTKLEIKRTDAQPAVYLFQPSPDQLHTGSASVVCLLNSFYPKDINVKWKVDGVIQDTGIQESVTEQDKDSTYSLSSTLTMSSTEYLSHELYSCEITHKSLPSTLIKSFQRSECQRVDEVQLVQSGAEVKKPGASVKVSCKTSGYTFTSFWMNWVRLAPGAGLDWIGRVDPYDSETHYNQKFKDRVILTVDTSTSTAYMELSSLRAGDIAVYYCATQFGFSWLAYWGQGTLVTVSAASTTAPSVFPLAPSCGSTSGSTVALACLVSGYFPEPVTVSWNSGSLTSGVHTFPSVLQSSGLYSLSSMVTVPSSRWPSETFTCNVAHPASKTKVDKPVPKRENGRVPRPPDCPKCPAPEMAGGPSVFIFPPKPKDTLYITREPEVTCVVVDLDPEDPEVQISWFVDGKQMQTAKTQPREEQFNGTYRVVSVLPIGHQDWLKGKQFTCKVNNKALPSGIERTISKARGQAHQPSVYVLPPSREELSKNTVSLTCLIKDFFPPDIDVEWQSNGQQEPESKYRTTPPQLDEDGSYFLYSKLSVDKSRWQRGDTFICAVMHEALHNHYTQESLSHSPGKGGGGSGGGGSGGGGSQVQLVESGGDLVKPGGSLRLSCVASGFTFSAFSMSWVRQAPGKGLEWVAYINQDGSEKYYDDAVKGRFTISRDNAKNTLSLQMNSLRAEDTAVYYCARDIAAPPLGQGTLVTVSS; B: DIVMTQSPGSLAVSAGESVSINCKSSQSLLYSSNQKNYLAWYQQKPGESPKLLIYWASTRESGVPDRFSGSGSGTDFTLTINNVQAEDVGVYYCQQYYSNPYTFGQGTKLEIKRTDAQPAVYLFQPSPDQLHTGSASVVCLLNSFYPKDINVKWKVDGVIQDTGIQESVTEQDKDSTYSLSSTLTMSSTEYLSHELYSCEITHKSLPSTLIKSFQRSECQRVDEVQLVQSGAEVKKPGASVKVSCKTSGYTFTSFWMNWVRLAPGAGLDWIGRVDPYDSETHYNQKFKDRVILTVDTSTSTAYMELSSLRAGDIAVYYCATQFGFSWLAYWGQGTLVTVSAASTTAPSVFPLAPSCGSTSGSTVALACLVSGYFPEPVTVSWNSGSLTSGVHTFPSVLQSSGLYSLSSMVTVPSSRWPSETFTCNVAHPASKTKVDKPVPKRENGRVPRPPDCPKCPAPEMAGGPSVFIFPPKPKDTLYITREPEVTCVVVDLDPEDPEVQISWFVDGKQMQTAKTQPREEQFNGTYRVVSVLPIGHQDWLKGKQFTCKVNNKALPSGIERTISKARGQAHQPSVYVLPPSREELSKNTVSLTCLIKDFFPPDIDVEWQSNGQQEPESKYRTTPPQLDEDGSYFLYSKLSVDKSRWQRGDTFICAVMHEALHNHYTQESLSHSPGKGGGGSGGGGSGGGGSQVQLVESGGDLVKPGGSLRLSCVASGFTFSAFSMSWVRQAPGKGLEWVAYINQDGSEKYYDDAVKGRFTISRDNAKNTLSLQMNSLRAEDTAVYYCARDIAAPPLGQGTLVTVSS
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                                          (00:22:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:22:50)

• Minimal score value: -3.6596
• Maximal score value: 2.1987
• Average score: -0.7395
• Total score value: -1191.9969

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	D	A	-1.7278
2	I	A	0.0000
3	V	A	0.7413
4	M	A	0.0000
5	T	A	-0.6462
6	Q	A	0.0000
7	S	A	-0.9186
8	P	A	-0.7047
9	G	A	-1.0451
10	S	A	-0.7123
11	L	A	-0.4110
12	A	A	-0.5678
13	V	A	-1.0131
14	S	A	-1.6907
15	A	A	-1.8599
16	G	A	-2.1258
17	E	A	-2.6027
18	S	A	-2.0143
19	V	A	0.0000
20	S	A	-0.5214
21	I	A	0.0000
22	N	A	-1.4579
23	C	A	0.0000
24	K	A	-1.8369
25	S	A	0.0000
26	S	A	-0.8377
27	Q	A	-1.4460
28	S	A	-0.7996
29	L	A	0.0000
30	L	A	0.0247
31	Y	A	0.2076
32	S	A	-0.5324
33	S	A	-0.7376
34	N	A	-1.2568
35	Q	A	-1.5732
36	K	A	-1.0641
37	N	A	-0.3271
38	Y	A	0.5923
39	L	A	0.0000
40	A	A	0.0000
41	W	A	0.0000
42	Y	A	0.0000
43	Q	A	0.0000
44	Q	A	0.0000
45	K	A	-2.0378
46	P	A	-1.8137
47	G	A	-1.9021
48	E	A	-2.6706
49	S	A	-1.6733
50	P	A	0.0000
51	K	A	-1.4052
52	L	A	0.0000
53	L	A	0.0000
54	I	A	0.0000
55	Y	A	0.1282
56	W	A	0.0937
57	A	A	0.0000
58	S	A	-0.6165
59	T	A	-0.5074
60	R	A	-1.3519
61	E	A	-1.1060
62	S	A	-0.8273
63	G	A	-1.0418
64	V	A	0.0000
65	P	A	-1.4162
66	D	A	-2.4513
67	R	A	-1.9704
68	F	A	0.0000
69	S	A	-1.0239
70	G	A	-0.5266
71	S	A	-0.8118
72	G	A	-1.2707
73	S	A	-1.1315
74	G	A	-1.0072
75	T	A	-1.5927
76	D	A	-2.4541
77	F	A	0.0000
78	T	A	-1.0581
79	L	A	0.0000
80	T	A	-0.7313
81	I	A	0.0000
82	N	A	-2.6611
83	N	A	-2.9808
84	V	A	0.0000
85	Q	A	-2.1745
86	A	A	-2.1868
87	E	A	-2.2798
88	D	A	0.0000
89	V	A	0.0000
90	G	A	0.0000
91	V	A	-0.3635
92	Y	A	0.0000
93	Y	A	0.0000
94	C	A	0.0000
95	Q	A	0.0000
96	Q	A	0.0000
97	Y	A	0.0000
98	Y	A	0.6969
99	S	A	-0.3632
100	N	A	-0.9360
101	P	A	-1.2045
102	Y	A	0.0000
103	T	A	-0.2051
104	F	A	0.0000
105	G	A	0.0000
106	Q	A	-1.2062
107	G	A	0.0000
108	T	A	0.0000
109	K	A	-1.0322
110	L	A	0.0000
111	E	A	-1.1590
112	I	A	0.0000
113	K	A	-2.0152
114	R	A	-1.8866
115	T	A	-1.3376
116	D	A	-2.1250
117	A	A	-1.5435
118	Q	A	-1.6694
119	P	A	0.0000
120	A	A	-0.1320
121	V	A	0.2061
122	Y	A	0.1508
123	L	A	0.0000
124	F	A	0.0000
125	Q	A	0.0000
126	P	A	0.0000
127	S	A	0.0000
128	P	A	-0.4648
129	D	A	-0.7105
130	Q	A	0.0000
131	L	A	-0.3537
132	H	A	-1.1767
133	T	A	-0.7733
134	G	A	-0.8517
135	S	A	-0.5953
136	A	A	0.0000
137	S	A	0.0000
138	V	A	0.0000
139	V	A	0.0000
140	C	A	0.0000
141	L	A	0.0000
142	L	A	0.0000
143	N	A	0.0000
144	S	A	-0.7584
145	F	A	0.0000
146	Y	A	0.0000
147	P	A	-2.2091
148	K	A	-2.5298
149	D	A	-2.7829
150	I	A	-1.7610
151	N	A	-1.9938
152	V	A	-0.7880
153	K	A	-1.0872
154	W	A	0.0000
155	K	A	0.1455
156	V	A	0.0000
157	D	A	-0.3797
158	G	A	0.2476
159	V	A	1.5542
160	I	A	0.8465
161	Q	A	-0.4475
162	D	A	-1.6160
163	T	A	-0.9141
164	G	A	-0.6677
165	I	A	-0.5844
166	Q	A	-0.5322
167	E	A	-1.0466
168	S	A	-0.5972
169	V	A	-0.3936
170	T	A	-1.0211
171	E	A	-2.4310
172	Q	A	0.0000
173	D	A	-2.7567
174	K	A	-3.4011
175	D	A	-2.7502
176	S	A	0.0000
177	T	A	0.0000
178	Y	A	0.0000
179	S	A	0.0000
180	L	A	0.0000
181	S	A	0.0000
182	S	A	0.0000
183	T	A	-0.2600
184	L	A	0.0000
185	T	A	-0.1963
186	M	A	-0.4097
187	S	A	-0.5482
188	S	A	-0.5044
189	T	A	-0.5624
190	E	A	-1.4020
191	Y	A	0.0000
192	L	A	0.3277
193	S	A	-0.5098
194	H	A	-0.7822
195	E	A	-0.6994
196	L	A	0.1089
197	Y	A	0.0000
198	S	A	-0.1127
199	C	A	0.0000
200	E	A	-0.2334
201	I	A	0.0000
202	T	A	-0.9520
203	H	A	0.0000
204	K	A	-2.6425
205	S	A	-1.5600
206	L	A	-0.9464
207	P	A	-0.6880
208	S	A	-0.2752
209	T	A	-0.1861
210	L	A	0.6885
211	I	A	0.8544
212	K	A	-0.1852
213	S	A	-0.2649
214	F	A	0.0000
215	Q	A	-1.3189
216	R	A	-1.2971
217	S	A	-1.5814
218	E	A	-2.6577
219	C	A	0.0000
220	Q	A	-1.9853
221	R	A	-1.1440
222	V	A	0.1088
223	D	A	-0.3426
224	E	A	-0.3671
225	V	A	0.3914
226	Q	A	0.0000
227	L	A	0.0000
228	V	A	-0.6448
229	Q	A	0.0000
230	S	A	-0.7929
231	G	A	-0.9354
232	A	A	-0.3742
233	E	A	-0.6630
234	V	A	-0.2601
235	K	A	-0.6840
236	K	A	-1.2471
237	P	A	-1.1860
238	G	A	-1.5226
239	A	A	0.0000
240	S	A	0.0000
241	V	A	0.0000
242	K	A	-0.3010
243	V	A	0.0000
244	S	A	-0.3252
245	C	A	0.0000
246	K	A	-1.2047
247	T	A	-0.5614
248	S	A	-0.4731
249	G	A	0.0760
250	Y	A	0.2561
251	T	A	0.0009
252	F	A	0.0000
253	T	A	0.1208
254	S	A	0.1403
255	F	A	0.3987
256	W	A	0.3334
257	M	A	0.0000
258	N	A	0.0000
259	W	A	0.0000
260	V	A	0.0000
261	R	A	0.0000
262	L	A	0.2153
263	A	A	0.0062
264	P	A	-0.3199
265	G	A	-0.6782
266	A	A	-0.5333
267	G	A	-0.6666
268	L	A	0.0000
269	D	A	-0.6171
270	W	A	0.0000
271	I	A	0.0000
272	G	A	0.0000
273	R	A	-0.4665
274	V	A	0.0000
275	D	A	-0.6507
276	P	A	0.0000
277	Y	A	-0.0780
278	D	A	-1.1133
279	S	A	-1.4436
280	E	A	-1.8320
281	T	A	-1.0818
282	H	A	-1.0408
283	Y	A	-1.3983
284	N	A	0.0000
285	Q	A	-3.2269
286	K	A	-3.0753
287	F	A	0.0000
288	K	A	-3.4661
289	D	A	-3.1821
290	R	A	-1.9868
291	V	A	0.0000
292	I	A	-0.7887
293	L	A	0.0000
294	T	A	-0.6014
295	V	A	-0.5149
296	D	A	-0.6469
297	T	A	-0.5125
298	S	A	-1.1028
299	T	A	-0.7484
300	S	A	-0.7381
301	T	A	0.0000
302	A	A	0.0000
303	Y	A	-0.0163
304	M	A	0.0000
305	E	A	0.0000
306	L	A	0.0000
307	S	A	-1.1551
308	S	A	-1.4444
309	L	A	0.0000
310	R	A	-1.8492
311	A	A	-0.8757
312	G	A	-0.8197
313	D	A	0.0000
314	I	A	0.2347
315	A	A	0.0000
316	V	A	0.5013
317	Y	A	0.0000
318	Y	A	0.0000
319	C	A	0.0000
320	A	A	0.0000
321	T	A	0.0000
322	Q	A	0.0000
323	F	A	1.3124
324	G	A	0.9697
325	F	A	2.0793
326	S	A	1.1441
327	W	A	0.9090
328	L	A	0.0000
329	A	A	0.2316
330	Y	A	0.3136
331	W	A	-0.1190
332	G	A	0.0000
333	Q	A	-1.5188
334	G	A	-0.7485
335	T	A	0.0000
336	L	A	0.1985
337	V	A	0.0000
338	T	A	-0.1910
339	V	A	0.0000
340	S	A	-0.4419
341	A	A	-0.4424
342	A	A	-0.1535
343	S	A	-0.2657
344	T	A	-0.3251
345	T	A	-0.0436
346	A	A	-0.4819
347	P	A	0.0000
348	S	A	-0.1375
349	V	A	0.0000
350	F	A	0.0000
351	P	A	0.0000
352	L	A	0.0000
353	A	A	0.0000
354	P	A	0.0000
355	S	A	-0.4904
356	C	A	-1.0829
357	G	A	-0.7583
358	S	A	-0.5742
359	T	A	-0.5315
360	S	A	-0.5897
361	G	A	-0.6981
362	S	A	-0.5542
363	T	A	-0.5342
364	V	A	0.0000
365	A	A	0.0000
366	L	A	0.0000
367	A	A	0.0000
368	C	A	0.0000
369	L	A	0.0000
370	V	A	0.0000
371	S	A	0.1383
372	G	A	0.1251
373	Y	A	0.0000
374	F	A	0.0000
375	P	A	0.0000
376	E	A	-0.2042
377	P	A	-0.2864
378	V	A	-0.1597
379	T	A	-0.2132
380	V	A	-0.0845
381	S	A	-0.1690
382	W	A	0.0000
383	N	A	-0.4831
384	S	A	-0.4531
385	G	A	0.0000
386	S	A	-0.2884
387	L	A	-0.0640
388	T	A	-0.1942
389	S	A	-0.2322
390	G	A	-0.1788
391	V	A	0.1098
392	H	A	-0.1479
393	T	A	-0.0622
394	F	A	0.0000
395	P	A	-0.3724
396	S	A	0.1846
397	V	A	0.4980
398	L	A	1.2250
399	Q	A	0.2469
400	S	A	-0.1257
401	S	A	-0.1558
402	G	A	0.0999
403	L	A	0.4520
404	Y	A	0.6932
405	S	A	0.0000
406	L	A	0.0000
407	S	A	0.0000
408	S	A	0.0000
409	M	A	0.0000
410	V	A	0.0000
411	T	A	-0.0901
412	V	A	0.0000
413	P	A	-0.6023
414	S	A	-0.6941
415	S	A	-0.8361
416	R	A	-1.1398
417	W	A	0.0000
418	P	A	-1.4416
419	S	A	-1.0174
420	E	A	-1.3092
421	T	A	-0.7926
422	F	A	0.0000
423	T	A	-0.3801
424	C	A	0.0000
425	N	A	0.0000
426	V	A	0.0000
427	A	A	-1.0033
428	H	A	0.0000
429	P	A	-1.7528
430	A	A	-0.8286
431	S	A	-1.2953
432	K	A	-2.6115
433	T	A	-1.9041
434	K	A	-2.1411
435	V	A	-0.8021
436	D	A	-0.8641
437	K	A	0.0000
438	P	A	-0.3149
439	V	A	0.0000
440	P	A	0.0000
441	K	A	-1.7513
442	R	A	-2.1655
443	E	A	-2.9539
444	N	A	-2.7948
445	G	A	-2.3830
446	R	A	-2.3898
447	V	A	-0.7674
448	P	A	-1.3072
449	R	A	-2.5345
450	P	A	-1.7480
451	P	A	-2.0309
452	D	A	-2.4995
453	C	A	-1.6280
454	P	A	-1.6483
455	K	A	-2.0558
456	C	A	-0.4767
457	P	A	-0.8919
458	A	A	-0.6616
459	P	A	-0.8974
460	E	A	-1.4662
461	M	A	-0.2200
462	A	A	-0.3320
463	G	A	-0.7763
464	G	A	0.0000
465	P	A	0.0000
466	S	A	-0.0217
467	V	A	0.0000
468	F	A	0.8198
469	I	A	0.0000
470	F	A	0.6272
471	P	A	-0.3654
472	P	A	0.0000
473	K	A	-2.6968
474	P	A	-1.6743
475	K	A	-2.2406
476	D	A	-2.0752
477	T	A	0.0000
478	L	A	-0.2360
479	Y	A	0.5419
480	I	A	0.0720
481	T	A	-0.5275
482	R	A	-2.0915
483	E	A	-2.8790
484	P	A	0.0000
485	E	A	-1.5586
486	V	A	0.0000
487	T	A	0.1313
488	C	A	0.0000
489	V	A	0.0000
490	V	A	0.0000
491	V	A	-1.1538
492	D	A	-1.8214
493	L	A	0.0000
494	D	A	-2.9003
495	P	A	-2.6064
496	E	A	-2.8846
497	D	A	-2.9759
498	P	A	-3.1448
499	E	A	-3.2121
500	V	A	-2.1397
501	Q	A	-2.2326
502	I	A	-1.4364
503	S	A	-1.2424
504	W	A	0.0000
505	F	A	-1.8993
506	V	A	0.0000
507	D	A	-3.2005
508	G	A	-2.5445
509	K	A	-3.0636
510	Q	A	-2.2956
511	M	A	-1.4737
512	Q	A	-1.7133
513	T	A	-1.0653
514	A	A	-1.2178
515	K	A	-1.9000
516	T	A	-1.4673
517	Q	A	-2.0709
518	P	A	-2.2042
519	R	A	-3.3583
520	E	A	-3.5791
521	E	A	-3.2118
522	Q	A	-1.4581
523	F	A	0.6319
524	N	A	-0.8889
525	G	A	-1.3353
526	T	A	-2.1379
527	Y	A	-3.0101
528	R	A	-2.7470
529	V	A	0.0000
530	V	A	-0.8672
531	S	A	0.0000
532	V	A	0.0000
533	L	A	0.0000
534	P	A	-1.1550
535	I	A	0.0000
536	G	A	0.0000
537	H	A	-0.9465
538	Q	A	-1.1039
539	D	A	-1.6457
540	W	A	0.0000
541	L	A	-1.1866
542	K	A	-2.3963
543	G	A	0.0000
544	K	A	-2.2874
545	Q	A	-2.6853
546	F	A	0.0000
547	T	A	-1.8055
548	C	A	0.0000
549	K	A	-2.3352
550	V	A	0.0000
551	N	A	-2.7863
552	N	A	0.0000
553	K	A	-2.7692
554	A	A	-1.8706
555	L	A	-0.9894
556	P	A	-0.8674
557	S	A	-1.0858
558	G	A	-1.9983
559	I	A	-1.3914
560	E	A	-2.2607
561	R	A	-1.4728
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