Project name: query_structure

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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[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                                          (00:07:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:05)

• Minimal score value: -3.6763
• Maximal score value: 2.7951
• Average score: -0.5806
• Total score value: -363.4317

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	-1.7264
2	V	A	-1.3437
3	Q	A	-1.9290
4	L	A	0.0000
5	Q	A	-1.7706
6	E	A	0.0000
7	S	A	-1.1437
8	G	A	-1.2443
9	G	A	-0.8190
10	G	A	-0.0733
11	L	A	1.0349
12	V	A	-0.0041
13	Q	A	-1.2878
14	A	A	-1.6268
15	G	A	-1.3249
16	G	A	-0.8861
17	S	A	-1.1271
18	L	A	-1.0446
19	R	A	-2.1089
20	L	A	0.0000
21	S	A	-0.8199
22	C	A	0.0000
23	A	A	-0.9228
24	A	A	-1.2208
25	S	A	-1.5406
26	G	A	-1.7755
27	R	A	-2.5177
28	T	A	-1.6596
29	F	A	0.0000
30	S	A	-1.7260
31	E	A	-1.8772
32	Y	A	-0.5930
33	A	A	0.0000
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	0.0000
39	Q	A	-1.8948
40	A	A	-1.7999
41	P	A	-1.3734
42	G	A	-1.9571
43	K	A	-3.2833
44	E	A	-3.5059
45	R	A	-2.8086
46	E	A	-2.4902
47	F	A	0.0000
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.0000
51	I	A	0.0000
52	S	A	0.0000
52A	W	A	-0.7380
53	S	A	-0.9502
54	G	A	-0.8286
55	G	A	-0.9148
56	S	A	0.0000
57	T	A	-0.2370
58	Y	A	0.0000
59	Y	A	-0.7646
60	T	A	-1.4464
61	D	A	-2.5760
62	S	A	-1.8410
63	V	A	0.0000
64	K	A	-2.6932
65	G	A	-1.8063
66	R	A	-1.5455
67	F	A	0.0000
68	T	A	-0.7785
69	I	A	0.0000
70	S	A	-0.5186
71	R	A	-1.1226
72	D	A	-1.8462
73	N	A	-1.9905
74	A	A	-1.4597
75	K	A	-2.3780
76	N	A	-1.7681
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.5584
80	L	A	0.0000
81	Q	A	-1.1049
82	M	A	0.0000
82A	N	A	-1.4380
82B	S	A	-1.2560
82C	L	A	0.0000
83	K	A	-2.0779
84	P	A	-1.8508
85	D	A	-2.2203
86	D	A	0.0000
87	T	A	-0.8223
88	A	A	0.0000
89	V	A	-0.3638
90	Y	A	0.0000
91	Y	A	-0.5579
92	C	A	0.0000
93	A	A	0.0000
94	A	A	0.0000
95	A	A	0.0000
96	G	A	-0.0746
97	L	A	0.9415
98	G	A	0.2924
99	T	A	0.0000
100	V	A	0.0000
100A	V	A	0.0000
100B	S	A	0.0000
100C	E	A	0.0000
100D	W	A	0.0000
100E	D	A	-1.5128
100F	Y	A	-0.8978
100G	D	A	-0.9080
100H	Y	A	0.0000
101	D	A	-1.5223
102	Y	A	-0.5519
103	W	A	-0.6166
104	G	A	-1.0222
105	Q	A	-1.5136
106	G	A	-1.0216
107	T	A	-1.0907
108	Q	A	-0.9930
109	V	A	0.0000
110	T	A	-0.3266
111	V	A	0.0000
112	S	A	-0.9812
113	S	A	-1.0774
114	G	A	-0.8526
115	S	A	-0.5073
320	T	D	-0.2533
321	N	D	-0.6771
322	L	D	0.3998
323	C	D	-0.0987
324	P	D	-0.6178
325	F	D	0.0000
326	G	D	-1.4710
327	E	D	-2.4243
328	V	D	0.0000
329	F	D	0.0000
330	N	D	-2.2116
331	A	D	-1.8208
332	T	D	-1.2271
333	K	D	-1.7069
334	F	D	0.0000
335	P	D	-0.9982
336	S	D	-0.4448
337	V	D	0.0000
338	Y	D	0.1423
339	A	D	-0.2317
340	W	D	0.0000
341	E	D	-2.4669
342	R	D	-2.2188
343	K	D	-2.2615
344	K	D	-2.2793
345	I	D	0.0000
346	S	D	-0.9182
347	N	D	-1.0744
348	C	D	-0.1156
349	V	D	0.6803
350	A	D	0.0036
351	D	D	-0.4764
352	Y	D	0.0000
353	S	D	-0.3069
354	V	D	0.5905
355	L	D	0.0000
356	Y	D	-0.3444
357	N	D	-0.9052
358	S	D	-0.0801
359	T	D	0.2508
360	F	D	0.7184
361	F	D	0.0000
362	S	D	0.0000
363	T	D	0.0000
364	F	D	0.0000
365	K	D	-0.1124
366	C	D	0.0000
367	Y	D	-0.1497
368	G	D	-0.6311
369	V	D	-0.4292
370	S	D	-0.6060
371	A	D	0.0000
372	T	D	-1.4511
373	K	D	-2.5786
374	L	D	0.0000
375	N	D	-2.3834
376	D	D	-2.2678
377	L	D	0.0000
378	C	D	0.7049
379	F	D	1.5653
380	S	D	0.2100
381	N	D	-0.7161
382	V	D	-0.5522
383	Y	D	-1.2172
384	A	D	0.0000
385	D	D	0.0000
386	S	D	0.0000
387	F	D	0.0000
388	V	D	0.0000
389	V	D	0.0000
390	K	D	-0.5336
391	G	D	0.0000
392	D	D	-1.8783
393	D	D	0.0000
394	V	D	0.0000
395	R	D	-2.1695
396	Q	D	-1.3984
397	I	D	0.0000
398	A	D	-0.9332
399	P	D	-1.3622
400	G	D	-1.4540
401	Q	D	-1.1457
402	T	D	-0.7072
403	G	D	-0.2938
404	V	D	-0.0941
405	I	D	0.0000
406	A	D	0.0000
407	D	D	0.0000
408	Y	D	-1.1125
409	N	D	0.0000
410	Y	D	0.0000
411	K	D	-1.5248
412	L	D	0.0000
413	P	D	-1.8658
414	D	D	-2.8570
415	D	D	-2.6492
416	F	D	0.0000
417	M	D	-0.3087
418	G	D	0.0000
419	C	D	0.0000
420	V	D	0.0000
421	L	D	0.0000
422	A	D	0.0000
423	W	D	0.0000
424	N	D	-0.3040
425	T	D	0.0000
426	R	D	-0.1273
427	N	D	-0.4741
428	I	D	1.0381
429	D	D	0.0000
430	A	D	0.0000
431	T	D	0.0498
432	S	D	-0.1655
433	T	D	-0.0897
434	G	D	-0.1099
435	N	D	-0.2156
436	Y	D	-0.4046
437	N	D	-1.3287
438	Y	D	0.0000
439	K	D	-0.3621
440	Y	D	0.3862
441	R	D	0.0000
442	Y	D	0.0000
443	L	D	-0.1410
444	R	D	-1.0525
445	H	D	-2.1772
446	G	D	-2.0654
447	K	D	-2.6804
448	L	D	0.0000
449	R	D	-2.7862
450	P	D	-1.8054
451	F	D	-1.0120
452	E	D	-2.4027
453	R	D	-2.1675
454	D	D	-0.3700
455	I	D	1.5175
456	S	D	0.7374
457	N	D	0.5742
458	V	D	1.6315
459	P	D	0.7666
460	F	D	-0.3118
461	S	D	0.0000
462	P	D	-1.7511
463	D	D	-2.8718
464	G	D	-2.5100
465	K	D	-2.6737
466	P	D	-1.1333
467	C	D	-0.4213
468	T	D	0.2144
469	P	D	0.0556
470	P	D	0.0301
471	A	D	0.3822
472	L	D	0.9328
473	N	D	-0.7514
474	C	D	0.0000
475	Y	D	0.0000
476	W	D	0.5181
477	P	D	0.0000
478	L	D	0.4070
479	N	D	-0.0503
480	D	D	-0.4281
481	Y	D	0.0000
482	G	D	0.0003
483	F	D	0.0000
484	Y	D	0.3114
485	T	D	0.1171
486	T	D	0.1034
487	T	D	0.3169
488	G	D	0.3329
489	I	D	0.4063
490	G	D	0.0454
491	Y	D	0.8725
492	Q	D	0.0000
493	P	D	0.0000
494	Y	D	0.0000
495	R	D	0.0000
496	V	D	0.0000
497	V	D	0.0000
498	V	D	0.0000
499	L	D	0.0000
500	S	D	0.0000
501	F	D	0.0000
502	E	D	-1.1595
503	G	D	-0.7049
1	Q	C	-1.5016
2	V	C	-1.2512
3	Q	C	-1.8022
4	L	C	0.0000
5	Q	C	-1.7438
6	E	C	0.0000
7	S	C	-1.1339
8	G	C	-1.2847
9	G	C	-0.9029
10	G	C	0.0294
11	L	C	0.9624
12	V	C	0.0000
13	Q	C	-1.3323
14	A	C	-1.4782
15	G	C	-1.3618
16	G	C	-0.8973
17	S	C	-1.0854
18	L	C	-0.9389
19	R	C	-2.0590
20	L	C	0.0000
21	S	C	-0.8080
22	C	C	0.0000
23	A	C	-1.0420
24	A	C	-1.0883
25	S	C	-1.1697
26	G	C	-1.1138
27	R	C	-1.2790
28	T	C	-1.0413
29	F	C	0.0000
30	S	C	-1.6279
31	E	C	-1.7067
32	Y	C	-0.5070
33	A	C	0.0000
34	M	C	0.0000
35	G	C	0.0000
36	W	C	0.0000
37	F	C	0.0000
38	R	C	0.0000
39	Q	C	-2.2020
40	A	C	-2.0539
41	P	C	-1.4649
42	G	C	-2.0044
43	K	C	-3.3990
44	E	C	-3.6763
45	R	C	-3.1055
46	E	C	-2.5164
47	F	C	0.0000
48	V	C	0.0000
49	A	C	0.0000
50	T	C	0.0000
51	I	C	0.0000
52	S	C	0.0000
52A	W	C	-0.6123
53	S	C	-0.9247
54	G	C	-0.7868
55	G	C	-0.7452
56	S	C	0.0000
57	T	C	-0.0817
58	Y	C	-0.0934
59	Y	C	-0.8345
60	T	C	-1.3746
61	D	C	-2.4681
62	S	C	-1.8521
63	V	C	0.0000
64	K	C	-2.5929
65	G	C	-1.7828
66	R	C	-1.3593
67	F	C	0.0000
68	T	C	-0.7610
69	I	C	0.0000
70	S	C	-0.5220
71	R	C	-1.2244
72	D	C	-2.0986
73	N	C	-2.1146
74	A	C	-1.5634
75	K	C	-2.4594
76	N	C	-1.9291
77	T	C	-1.4155
78	V	C	0.0000
79	Y	C	-0.5134
80	L	C	0.0000
81	Q	C	-1.0527
82	M	C	0.0000
82A	N	C	-1.3572
82B	S	C	-1.2059
82C	L	C	0.0000
83	K	C	-2.2615
84	P	C	-1.9230
85	D	C	-2.2985
86	D	C	0.0000
87	T	C	-0.9074
88	A	C	0.0000
89	V	C	-0.4932
90	Y	C	0.0000
91	Y	C	-0.5987
92	C	C	0.0000
93	A	C	0.0000
94	A	C	0.0000
95	A	C	0.0000
96	G	C	-0.0813
97	L	C	0.9217
98	G	C	0.2800
99	T	C	0.0737
100	V	C	0.0000
100A	V	C	0.0000
100B	S	C	0.0000
100C	E	C	0.0000
100D	W	C	0.0000
100E	D	C	-1.4680
100F	Y	C	-0.7819
100G	D	C	-0.8278
100H	Y	C	0.0000
101	D	C	-1.4827
102	Y	C	-0.6730
103	W	C	-0.6247
104	G	C	-0.9694
105	Q	C	-1.4603
106	G	C	-1.0143
107	T	C	0.0000
108	Q	C	-1.0262
109	V	C	0.0000
110	T	C	-0.3721
111	V	C	0.0000
112	S	C	-0.8510
113	S	C	-0.7984
321	N	B	-0.4721
322	L	B	0.7823
323	C	B	0.0000
324	P	B	-0.5107
325	F	B	0.0000
326	G	B	-1.4301
327	E	B	-2.5473
328	V	B	0.0000
329	F	B	0.0000
330	N	B	-2.1899
331	A	B	-1.8232
332	T	B	-1.2564
333	K	B	-1.9068
334	F	B	0.0000
335	P	B	-0.9604
336	S	B	-0.4797
337	V	B	0.0000
338	Y	B	0.2039
339	A	B	-0.1851
340	W	B	0.0000
341	E	B	-2.6534
342	R	B	-2.5612
343	K	B	-2.8724
344	K	B	-2.2064
345	I	B	0.0000
346	S	B	-0.4639
347	N	B	-0.8100
348	C	B	0.5616
349	V	B	1.9446
350	A	B	0.6781
351	D	B	-0.4756
352	Y	B	0.0000
353	S	B	-0.1223
354	V	B	1.2382
355	L	B	0.0000
356	Y	B	-0.3632
357	N	B	-0.8859
358	S	B	0.0045
359	T	B	0.2968
360	F	B	0.9165
361	F	B	0.0000
362	S	B	0.0000
363	T	B	0.0000
364	F	B	0.0000
365	K	B	-0.1007
366	C	B	0.0000
367	Y	B	-0.1561
368	G	B	-0.6300
369	V	B	-0.1397
370	S	B	-0.4100
371	A	B	-0.5177
372	T	B	-1.4985
373	K	B	-2.3616
374	L	B	0.0000
375	N	B	-1.9764
376	D	B	-1.9571
377	L	B	0.7303
378	C	B	1.9495
379	F	B	2.3999
380	S	B	1.1191
381	N	B	-0.6031
382	V	B	0.0000
383	Y	B	-1.3742
384	A	B	0.0000
385	D	B	0.0000
386	S	B	-1.1568
387	F	B	0.0000
388	V	B	0.0000
389	V	B	0.0000
390	K	B	-0.7633
391	G	B	0.0000
392	D	B	-2.0977
393	D	B	-1.6830
394	V	B	0.0000
395	R	B	-2.5738
396	Q	B	-1.6685
397	I	B	0.0000
398	A	B	0.0000
399	P	B	-1.5997
400	G	B	-1.5942
401	Q	B	-1.3977
402	T	B	-0.8547
403	G	B	-0.5997
404	V	B	-0.1173
405	I	B	0.0000
406	A	B	0.0000
407	D	B	0.0000
408	Y	B	-0.9004
409	N	B	0.0000
410	Y	B	0.0000
411	K	B	-1.4555
412	L	B	0.0000
413	P	B	-1.9614
414	D	B	-2.9187
415	D	B	-2.7066
416	F	B	0.0000
417	M	B	-0.6383
418	G	B	0.0000
419	C	B	0.0000
420	V	B	0.0000
421	L	B	0.0000
422	A	B	0.0000
423	W	B	0.0000
424	N	B	-0.3352
425	T	B	0.0000
426	R	B	-0.5707
427	N	B	-0.6951
428	I	B	1.0962
429	D	B	0.0000
430	A	B	-0.1596
431	T	B	-0.0899
432	S	B	-0.1836
433	T	B	-0.1210
434	G	B	-0.1641
435	N	B	-0.3493
436	Y	B	-0.4709
437	N	B	-1.3822
438	Y	B	0.0000
439	K	B	-0.4220
440	Y	B	0.3532
441	R	B	0.0000
442	Y	B	0.2125
443	L	B	-0.0318
444	R	B	-1.1821
445	H	B	-1.9843
446	G	B	-2.0312
447	K	B	-2.6712
448	L	B	0.0000
449	R	B	-2.6234
450	P	B	-1.8749
451	F	B	-0.7878
452	E	B	-1.7526
453	R	B	-1.4930
454	D	B	-0.0247
455	I	B	1.6680
456	S	B	0.8795
457	N	B	0.7733
458	V	B	1.7564
459	P	B	0.7302
460	F	B	-0.3540
461	S	B	0.0000
462	P	B	-1.7645
463	D	B	-2.8319
464	G	B	-2.4541
465	K	B	-2.5358
466	P	B	-1.1009
467	C	B	-0.1485
468	T	B	0.2198
469	P	B	0.0151
470	P	B	0.0304
471	A	B	0.4566
472	L	B	1.1034
473	N	B	-0.4877
474	C	B	0.0000
475	Y	B	0.0000
476	W	B	0.5376
477	P	B	0.0000
478	L	B	0.0000
479	N	B	-0.2466
480	D	B	-0.5012
481	Y	B	0.0000
482	G	B	-0.0982
483	F	B	0.0000
484	Y	B	0.1926
485	T	B	0.0027
486	T	B	0.0590
487	T	B	0.2879
488	G	B	0.3813
489	I	B	0.3015
490	G	B	-0.0167
491	Y	B	0.7342
492	Q	B	-0.0509
493	P	B	0.0000
494	Y	B	0.0000
495	R	B	0.0000
496	V	B	0.0000
497	V	B	0.0000
498	V	B	0.0000
499	L	B	0.0000
500	S	B	0.0000
501	F	B	-0.7507
502	E	B	-1.9936
503	G	B	-1.3413
504	S	B	-0.3278
505	L	B	0.7434
506	E	B	0.0394
507	V	B	2.3301
508	L	B	2.7951
509	F	B	2.4249
510	Q	B	0.4545