Project name: 038-A

Chain sequence(s)	A: EVQLVQSGAEVKKPGSSVKVSCKASGGTFSKHGISWVRQAPGQGFEWMGRIIPTTGIAKYAPKFQGRVTITADTSTTTVYMELNSLRSEDTAIYYCAREREGDLVDTSPYDSWGQGTLVTVSSDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGGGGGSGGGGSEVQLVESGGGLVQPGGSLRLSCAASGFTFSAFSMSWVRQAPGKGLEWVAYINQDGSEKYYVDSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARDIAAPPLGQGTQVTVSSGGGGSGGGSQVQLVESGGDLVQPGGSLRLSCAASGFTFSDYEMNWVRQAPGKGLEWISYISDGGSIIYYADSVKGRFTISRDNAKNSLSLQMKSLRAEDTAVYYCTRGGGGEVPASMFYGSGNYPFDYWGQGTLVTVSS; B: EVQLVQSGAEVKKPGSSVKVSCKASGGTFSKHGISWVRQAPGQGFEWMGRIIPTTGIAKYAPKFQGRVTITADTSTTTVYMELNSLRSEDTAIYYCAREREGDLVDTSPYDSWGQGTLVTVSSDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGGGGGSGGGGSEVQLVESGGGLVQPGGSLRLSCAASGFTFSAFSMSWVRQAPGKGLEWVAYINQDGSEKYYVDSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARDIAAPPLGQGTQVTVSSGGGGSGGGSQVQLVESGGDLVQPGGSLRLSCAASGFTFSDYEMNWVRQAPGKGLEWISYISDGGSIIYYADSVKGRFTISRDNAKNSLSLQMKSLRAEDTAVYYCTRGGGGEVPASMFYGSGNYPFDYWGQGTLVTVSS
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]                                                (00:00:01)
[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                                          (00:27:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:27:56)

• Minimal score value: -3.1811
• Maximal score value: 1.2812
• Average score: -0.7419
• Total score value: -909.6104

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	E	A	-2.2247
2	V	A	-1.5232
3	Q	A	-1.5194
4	L	A	0.0000
5	V	A	0.2667
6	Q	A	0.0000
7	S	A	-0.3831
8	G	A	-0.3282
9	A	A	0.0934
10	E	A	-0.0664
11	V	A	0.6968
12	K	A	-1.1994
13	K	A	-2.5042
14	P	A	-2.0765
15	G	A	-1.4003
16	S	A	-1.2117
17	S	A	-1.3366
18	V	A	0.0000
19	K	A	-1.9265
20	V	A	0.0000
21	S	A	-0.4533
22	C	A	0.0000
23	K	A	-0.8417
24	A	A	0.0000
25	S	A	-1.1958
26	G	A	-1.4622
27	G	A	-1.1565
28	T	A	-1.1131
29	F	A	0.0000
30	S	A	-1.1007
31	K	A	-2.2663
32	H	A	0.0000
33	G	A	0.0000
34	I	A	0.0000
35	S	A	0.0000
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	Q	A	0.0000
40	A	A	-0.6812
41	P	A	-0.9534
42	G	A	-1.3918
43	Q	A	-1.3510
44	G	A	-0.9809
45	F	A	-0.1571
46	E	A	-0.3104
47	W	A	0.1130
48	M	A	0.0000
49	G	A	0.0000
50	R	A	-0.3041
51	I	A	0.0000
52	I	A	-0.1457
53	P	A	0.0000
54	T	A	-0.8142
55	T	A	-0.5952
56	G	A	-0.3179
57	I	A	-0.1645
58	A	A	-0.1395
59	K	A	-0.3221
60	Y	A	-0.3648
61	A	A	-0.3806
62	P	A	-0.4731
63	K	A	-0.7157
64	F	A	0.0000
65	Q	A	-0.7386
66	G	A	-1.1346
67	R	A	-0.8057
68	V	A	0.0000
69	T	A	-0.5756
70	I	A	0.0000
71	T	A	-0.1462
72	A	A	-0.3945
73	D	A	-0.8899
74	T	A	-0.6105
75	S	A	-0.4928
76	T	A	-0.5834
77	T	A	-0.7796
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3518
81	M	A	0.0000
82	E	A	-1.1512
83	L	A	0.0000
84	N	A	-1.1376
85	S	A	-1.0379
86	L	A	0.0000
87	R	A	-1.9975
88	S	A	-1.8418
89	E	A	-2.3992
90	D	A	0.0000
91	T	A	-0.5882
92	A	A	0.0000
93	I	A	0.0000
94	Y	A	0.0000
95	Y	A	0.0000
96	C	A	0.0000
97	A	A	0.0000
98	R	A	0.0000
99	E	A	0.0000
100	R	A	-1.3315
101	E	A	-1.9734
102	G	A	-1.3649
103	D	A	-0.9305
104	L	A	-0.1121
105	V	A	0.6616
106	D	A	-0.0617
107	T	A	-0.0449
108	S	A	-0.3064
109	P	A	0.0000
110	Y	A	-0.3355
111	D	A	-0.7902
112	S	A	-0.6886
113	W	A	-0.0564
114	G	A	0.0000
115	Q	A	-0.5342
116	G	A	0.0000
117	T	A	0.0000
118	L	A	0.2754
119	V	A	0.0000
120	T	A	0.0000
121	V	A	0.0000
122	S	A	-1.6516
123	S	A	-2.1386
124	D	A	-3.1811
125	K	A	-2.9198
126	T	A	-1.8704
127	H	A	-1.3521
128	T	A	-0.7442
129	C	A	0.2686
130	P	A	-0.1698
131	P	A	0.1703
132	C	A	0.5201
133	P	A	-0.4326
134	A	A	-0.7811
135	P	A	-1.6446
136	E	A	-2.4476
137	A	A	-1.9483
138	A	A	-1.2304
139	G	A	-1.1082
140	G	A	-0.7473
141	P	A	0.0000
142	S	A	-0.3214
143	V	A	0.0000
144	F	A	-0.0484
145	L	A	0.0000
146	F	A	0.0000
147	P	A	-0.3878
148	P	A	0.0000
149	K	A	-1.2508
150	P	A	0.0000
151	K	A	-0.9550
152	D	A	0.0000
153	T	A	0.0000
154	L	A	0.0000
155	M	A	-0.3049
156	I	A	0.0000
157	S	A	-0.5283
158	R	A	-1.1754
159	T	A	-0.8084
160	P	A	0.0000
161	E	A	-1.1142
162	V	A	0.0000
163	T	A	-0.4868
164	C	A	0.0000
165	V	A	0.0000
166	V	A	0.0000
167	V	A	0.0000
168	D	A	-0.9988
169	V	A	0.0000
170	S	A	-1.9151
171	H	A	-2.0548
172	E	A	-2.7319
173	D	A	-2.4792
174	P	A	-2.4573
175	E	A	-3.0442
176	V	A	-2.0006
177	K	A	-2.2404
178	F	A	-1.2896
179	N	A	-1.2008
180	W	A	0.0000
181	Y	A	-1.0245
182	V	A	-1.0893
183	D	A	-2.1488
184	G	A	-1.0440
185	V	A	0.2051
186	E	A	-1.4596
187	V	A	-0.9676
188	H	A	-2.0559
189	N	A	-2.2609
190	A	A	-1.8711
191	K	A	-2.4021
192	T	A	-1.8794
193	K	A	-2.0069
194	P	A	-2.0547
195	R	A	-2.9580
196	E	A	-2.7844
197	E	A	-2.8537
198	Q	A	0.0000
199	Y	A	-0.3766
200	N	A	-0.3637
201	S	A	-0.7833
202	T	A	0.0000
203	Y	A	0.0000
204	R	A	-1.6628
205	V	A	0.0000
206	V	A	0.0000
207	S	A	0.0000
208	V	A	0.0000
209	L	A	0.0000
210	T	A	-0.8614
211	V	A	0.0000
212	L	A	-0.0592
213	H	A	0.0000
214	Q	A	-0.6582
215	D	A	-1.0712
216	W	A	0.0000
217	L	A	-0.6027
218	N	A	-1.7680
219	G	A	-1.8103
220	K	A	-2.0793
221	E	A	-2.3722
222	Y	A	0.0000
223	K	A	-1.4196
224	C	A	0.0000
225	K	A	-0.9701
226	V	A	0.0000
227	S	A	-1.3841
228	N	A	0.0000
229	K	A	-2.5683
230	A	A	-1.4545
231	L	A	-0.6197
232	P	A	-0.4938
233	A	A	-0.3721
234	P	A	-0.7439
235	I	A	-0.2229
236	E	A	-0.9600
237	K	A	0.0000
238	T	A	-1.1809
239	I	A	0.0000
240	S	A	-1.5159
241	K	A	-1.2175
242	A	A	-1.1756
243	K	A	-2.2846
244	G	A	-1.9481
245	Q	A	-2.1269
246	P	A	-1.7121
247	R	A	-1.9691
248	E	A	-2.5234
249	P	A	0.0000
250	Q	A	-1.1911
251	V	A	0.0000
252	Y	A	0.0000
253	T	A	-0.6481
254	L	A	0.0000
255	P	A	-0.3297
256	P	A	-0.8057
257	S	A	0.0000
258	R	A	-2.7228
259	E	A	-2.8576
260	E	A	0.0000
261	M	A	-1.7896
262	T	A	-1.6113
263	K	A	-1.9952
264	N	A	-2.3635
265	Q	A	-2.1196
266	V	A	0.0000
267	S	A	0.0000
268	L	A	0.0000
269	T	A	0.0000
270	C	A	0.0000
271	L	A	0.0000
272	V	A	0.0000
273	K	A	-0.6661
274	G	A	-1.1363
275	F	A	0.0000
276	Y	A	-1.1737
277	P	A	0.0000
278	S	A	0.0000
279	D	A	-0.5022
280	I	A	0.0000
281	A	A	-0.6033
282	V	A	0.0000
283	E	A	-0.6914
284	W	A	0.0000
285	E	A	0.0000
286	S	A	0.0000
287	N	A	-1.2717
288	G	A	0.0000
289	Q	A	-1.7302
290	P	A	-1.4083
291	E	A	-1.4391
292	N	A	-2.0477
293	N	A	-1.2812
294	Y	A	-0.8685
295	K	A	-1.1872
296	T	A	-0.5179
297	T	A	0.0000
298	P	A	-0.0831
299	P	A	0.0000
300	V	A	0.0499
301	L	A	0.0000
302	D	A	-0.9646
303	S	A	-1.4520
304	D	A	-1.9802
305	G	A	-0.9799
306	S	A	0.0000
307	F	A	0.0000
308	F	A	0.0000
309	L	A	0.0000
310	Y	A	0.0000
311	S	A	0.0000
312	K	A	0.0000
313	L	A	0.0000
314	T	A	-0.8352
315	V	A	0.0000
316	D	A	-2.3866
317	K	A	-2.4542
318	S	A	-2.1799
319	R	A	-2.0465
320	W	A	0.0000
321	Q	A	-2.3394
322	Q	A	-2.1903
323	G	A	-1.3816
324	N	A	-1.2361
325	V	A	-0.3652
326	F	A	0.0000
327	S	A	0.0000
328	C	A	0.0000
329	S	A	0.0000
330	V	A	0.0000
331	M	A	0.0000
332	H	A	0.0000
333	E	A	-1.1150
334	A	A	-1.6051
335	L	A	-1.4362
336	H	A	-1.7413
337	N	A	-1.1188
338	H	A	-0.9398
339	Y	A	-0.2391
340	T	A	-0.3260
341	Q	A	0.0000
342	K	A	-0.5384
343	S	A	-0.2404
344	L	A	0.0000
345	S	A	-0.3746
346	L	A	-0.4218
347	S	A	-0.6853
348	P	A	-0.9167
349	G	A	-1.0078
350	G	A	-1.2082
351	G	A	-1.3130
352	G	A	-1.3135
353	G	A	-1.2950
354	S	A	-1.2244
355	G	A	-1.8002
356	G	A	-2.0190
357	G	A	-1.6875
358	G	A	-1.4590
359	S	A	-1.8026
360	E	A	-2.2901
361	V	A	-1.2954
362	Q	A	-1.4329
363	L	A	0.0000
364	V	A	0.1520
365	E	A	0.0000
366	S	A	-0.7431
367	G	A	-1.2170
368	G	A	-0.8172
369	G	A	-0.0710
370	L	A	0.9489
371	V	A	0.0000
372	Q	A	-1.5107
373	P	A	-1.7719
374	G	A	-1.4329
375	G	A	-0.9995
376	S	A	-1.3634
377	L	A	-1.0658
378	R	A	-2.3050
379	L	A	0.0000
380	S	A	-0.5567
381	C	A	0.0000
382	A	A	-0.4058
383	A	A	0.0000
384	S	A	-1.0204
385	G	A	-1.3704
386	F	A	-0.6497
387	T	A	-0.2959
388	F	A	0.0000
389	S	A	-0.6192
390	A	A	0.0000
391	F	A	-0.1296
392	S	A	0.0000
393	M	A	0.0000
394	S	A	0.0000
395	W	A	0.0000
396	V	A	0.0000
397	R	A	0.0000
398	Q	A	-0.7374
399	A	A	0.0000
400	P	A	-1.0426
401	G	A	-1.2545
402	K	A	-1.4414
403	G	A	0.0000
404	L	A	0.0000
405	E	A	0.0000
406	W	A	0.0000
407	V	A	0.0000
408	A	A	0.0000
409	Y	A	0.0000
410	I	A	0.0000
411	N	A	0.0000
412	Q	A	0.0000
413	D	A	-1.4487
414	G	A	-1.0644
415	S	A	-1.0330
416	E	A	-1.0412
417	K	A	-0.8170
418	Y	A	-0.8296
419	Y	A	-0.9962
420	V	A	-1.1027
421	D	A	-2.4316
422	S	A	-1.6335
423	V	A	0.0000
424	K	A	-2.4487
425	G	A	-1.6293
426	R	A	0.0000
427	F	A	0.0000
428	T	A	-0.9974
429	I	A	0.0000
430	S	A	-0.6509
431	R	A	-0.9895
432	D	A	-1.4854
433	N	A	-1.6111
434	A	A	-1.2964
435	K	A	-2.2439
436	N	A	-1.6482
437	S	A	-1.0493
438	L	A	0.0000
439	Y	A	-0.6432
440	L	A	0.0000
441	Q	A	-1.6620
442	M	A	0.0000
443	N	A	-1.4725
444	S	A	-1.2129
445	L	A	0.0000
446	R	A	-2.3422
447	A	A	-1.9695
448	E	A	-2.2884
449	D	A	0.0000
450	T	A	-0.9358
451	A	A	0.0000
452	V	A	-0.4637
453	Y	A	0.0000
454	Y	A	-0.1026
455	C	A	0.0000
456	A	A	0.0000
457	R	A	-0.4069
458	D	A	-0.3942
459	I	A	0.0000
460	A	A	-0.2580
461	A	A	-0.4093
462	P	A	0.0000
463	P	A	-0.8423
464	L	A	-0.6414
465	G	A	-0.7651
466	Q	A	-1.4598
467	G	A	0.0000
468	T	A	0.0000
469	Q	A	-1.1448
470	V	A	0.0000
471	T	A	-0.4014
472	V	A	0.0000
473	S	A	-0.9290
474	S	A	-1.4810
475	G	A	-1.3640
476	G	A	-1.1310
477	G	A	-1.1798
478	G	A	-1.1971
479	S	A	-1.0513
480	G	A	-1.1501
481	G	A	-1.2831
482	G	A	-1.3005
483	S	A	-1.2592
484	Q	A	-1.5386
485	V	A	-0.6815
486	Q	A	-0.6575
487	L	A	0.0000
488	V	A	0.5473
489	E	A	0.0000
490	S	A	-0.5359
491	G	A	-1.2163
492	G	A	-0.6111
493	D	A	-1.1436
494	L	A	0.5552
495	V	A	0.0000
496	Q	A	-1.6101
497	P	A	-1.7312
498	G	A	-1.6092
499	G	A	-1.1947
500	S	A	-1.5894
501	L	A	-1.4167
502	R	A	-2.4523
503	L	A	0.0000
504	S	A	-0.6130
505	C	A	0.0000
506	A	A	-0.2169
507	A	A	0.0000
508	S	A	-0.5370
509	G	A	-0.8441
510	F	A	-0.5096
511	T	A	-0.6695
512	F	A	0.0000
513	S	A	-1.9270
514	D	A	-2.3234
515	Y	A	-1.4147
516	E	A	-1.1961
517	M	A	0.0000
518	N	A	0.0000
519	W	A	0.0000
520	V	A	0.0000
521	R	A	0.0000
522	Q	A	-0.6748
523	A	A	-1.0734
524	P	A	-1.0172
525	G	A	-1.6197
526	K	A	-2.3296
527	G	A	-1.4265
528	L	A	0.0000
529	E	A	-0.9006
530	W	A	0.0000
531	I	A	0.0000
532	S	A	0.0000
533	Y	A	0.0000
534	I	A	0.0000
535	S	A	0.0000
536	D	A	-2.0890
537	G	A	-1.5909
538	G	A	-0.9037
539	S	A	-0.3727
540	I	A	-0.2302
541	I	A	0.1524
542	Y	A	0.0000
543	Y	A	0.0000
544	A	A	-1.7228
545	D	A	-2.7507
546	S	A	-1.8390
547	V	A	0.0000
548	K	A	-2.6474
549	G	A	-1.9263
550	R	A	-1.7391
551	F	A	0.0000
552	T	A	-0.9401
553	I	A	0.0000
554	S	A	-0.5082
555	R	A	-1.3096
556	D	A	-1.7128
557	N	A	-2.0285
558	A	A	-1.3654
559	K	A	-2.2983
560	N	A	-1.7243
561	S	A	-1.1679
562	L	A	0.0000
563	S	A	-0.8024
564	L	A	0.0000
565	Q	A	-1.3599
566	M	A	0.0000
567	K	A	-2.3038
568	S	A	-1.6898
569	L	A	0.0000
570	R	A	-2.3925
571	A	A	-1.7321
572	E	A	-2.2170
573	D	A	0.0000
574	T	A	-0.3657
575	A	A	0.0000
576	V	A	0.7972
577	Y	A	0.0000
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