Project name: 5789bb5d0b4038c

Chain sequence(s)	A: MQIFVKTLTGKTITLEEVEPSDTIENVKAKIQDKEGIIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG; C: MQIFVKTLTGKTITLEEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRRLR; B: MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG; E: MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG; D: MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRRLRGG; G: MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRRLRGG; F: MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG; I: MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRRLRGG; H: MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG; K: MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG; J: MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG; L: MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLR
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,L
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:22:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:22:38)

• Minimal score value: -4.3137
• Maximal score value: 0.7816
• Average score: -1.0447
• Total score value: -948.5822

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	M	A	-2.0609
2	Q	A	-2.3482
3	I	A	0.0000
4	F	A	-0.7779
5	V	A	0.0000
6	K	A	-0.7148
7	T	A	0.0000
8	L	A	0.3597
9	T	A	-0.0874
10	G	A	-0.6288
11	K	A	-0.9233
12	T	A	-0.5807
13	I	A	0.0000
14	T	A	-0.6933
15	L	A	0.0000
16	E	A	-2.9670
17	V	A	0.0000
18	E	A	-2.8315
19	P	A	-2.1426
20	S	A	-1.5181
21	D	A	-1.6902
22	T	A	-1.7216
23	I	A	0.0000
24	E	A	-1.4929
25	N	A	-1.4028
26	V	A	0.0000
27	K	A	0.0000
28	A	A	-0.9765
29	K	A	-1.5524
30	I	A	0.0000
31	Q	A	-1.1982
32	D	A	-1.3246
33	K	A	-1.0210
34	E	A	0.0000
35	G	A	-0.6723
36	I	A	0.0000
37	P	A	-0.5406
38	P	A	0.0000
39	D	A	0.0000
40	Q	A	0.0000
41	Q	A	0.0000
42	R	A	-1.0853
43	L	A	0.0000
44	I	A	-0.9167
45	F	A	-0.5812
46	A	A	-0.7327
47	G	A	-1.2199
48	K	A	-2.0395
49	Q	A	-2.1008
50	L	A	0.0000
51	E	A	-2.0746
52	D	A	-1.7702
53	G	A	-1.7415
54	R	A	-2.2769
55	T	A	-2.1611
56	L	A	0.0000
57	S	A	-2.2713
58	D	A	-2.5738
59	Y	A	-1.9647
60	N	A	-2.2949
61	I	A	0.0000
62	Q	A	-2.9418
63	K	A	-3.4383
64	E	A	-2.2735
65	S	A	-1.5831
66	T	A	-0.7128
67	L	A	0.0000
68	H	A	-0.5536
69	L	A	0.0000
70	V	A	0.0000
71	L	A	0.0000
72	R	A	-0.6703
73	L	A	0.0000
74	R	A	0.0000
75	G	A	-0.6904
76	G	A	-0.6467
1	M	B	-1.5612
2	Q	B	-1.8137
3	I	B	0.0000
4	F	B	-0.4163
5	V	B	0.0000
6	K	B	-0.5418
7	T	B	0.0000
8	L	B	0.5181
9	T	B	0.0164
10	G	B	-0.4662
11	K	B	-0.7756
12	T	B	-0.4540
13	I	B	0.0000
14	T	B	-0.3307
15	L	B	0.0000
16	E	B	-1.5983
17	V	B	0.0000
18	E	B	-2.5560
19	P	B	-2.1385
20	S	B	-1.4916
21	D	B	-1.7167
22	T	B	-1.9191
23	I	B	0.0000
24	E	B	-1.8699
25	N	B	-1.4820
26	V	B	0.0000
27	K	B	0.0000
28	A	B	-0.8704
29	K	B	-1.0826
30	I	B	0.0000
31	Q	B	-0.9842
32	D	B	-0.8784
33	K	B	0.0000
34	E	B	0.0000
35	G	B	-0.5312
36	I	B	0.0000
37	P	B	-0.5749
38	P	B	-0.8978
39	D	B	0.0000
40	Q	B	0.0000
41	Q	B	0.0000
42	R	B	-0.9472
43	L	B	0.0000
44	I	B	-0.9821
45	F	B	-0.6465
46	A	B	-0.8075
47	G	B	-1.3430
48	K	B	-2.4464
49	Q	B	-2.4547
50	L	B	0.0000
51	E	B	-3.1509
52	D	B	-2.5964
53	G	B	-2.3500
54	R	B	-2.6905
55	T	B	-2.2899
56	L	B	0.0000
57	S	B	-2.2155
58	D	B	-2.4885
59	Y	B	-2.0574
60	N	B	-2.2871
61	I	B	0.0000
62	Q	B	-2.8898
63	K	B	-3.1569
64	E	B	-2.0883
65	S	B	-1.4343
66	T	B	-0.6155
67	L	B	0.0000
68	H	B	-0.4375
69	L	B	0.0000
70	V	B	0.0000
71	L	B	0.0000
72	R	B	-0.6692
73	L	B	0.0000
74	R	B	0.0000
75	G	B	-0.6235
76	G	B	-0.5782
1	M	C	-1.6233
2	Q	C	-1.9002
3	I	C	0.0000
4	F	C	-0.3897
5	V	C	0.0000
6	K	C	0.0000
7	T	C	0.0000
8	L	C	0.3356
9	T	C	-0.1317
10	G	C	-0.9646
11	K	C	-0.7573
12	T	C	-0.4385
13	I	C	0.0000
14	T	C	-0.6029
15	L	C	0.0000
16	E	C	-2.9645
17	V	C	0.0000
18	E	C	-2.6980
19	P	C	-1.8711
20	S	C	-1.4138
21	D	C	-1.6230
22	T	C	-1.7193
23	I	C	0.0000
24	E	C	-1.8039
25	N	C	-1.4358
26	V	C	0.0000
27	K	C	0.0000
28	A	C	-0.9763
29	K	C	-1.5361
30	I	C	0.0000
31	Q	C	-1.1538
32	D	C	-1.1892
33	K	C	-1.0239
34	E	C	0.0000
35	G	C	-0.6694
36	I	C	0.0000
37	P	C	-0.5732
38	P	C	-0.9179
39	D	C	0.0000
40	Q	C	0.0000
41	Q	C	0.0000
42	R	C	-0.9944
43	L	C	0.0000
44	I	C	-1.1695
45	F	C	0.0000
46	A	C	-1.4314
47	G	C	-1.6375
48	K	C	-2.6943
49	Q	C	-2.5835
50	L	C	0.0000
51	E	C	-3.0196
52	D	C	-2.3912
53	G	C	-2.0595
54	R	C	-2.2697
55	T	C	-2.0025
56	L	C	0.0000
57	S	C	-1.8631
58	D	C	-2.0611
59	Y	C	-1.8095
60	N	C	-1.9728
61	I	C	0.0000
62	Q	C	-1.8111
63	K	C	-2.1251
64	E	C	-1.0270
65	S	C	0.0000
66	T	C	0.0000
67	L	C	0.0000
68	H	C	-0.1594
69	L	C	0.0000
70	V	C	0.0000
71	L	C	0.0000
72	R	C	-0.6320
73	L	C	0.0000
74	R	C	-0.5850
1	M	D	-1.7542
2	Q	D	-2.0088
3	I	D	0.0000
4	F	D	-0.6672
5	V	D	0.0000
6	K	D	-0.6758
7	T	D	0.0000
8	L	D	0.6268
9	T	D	-0.0048
10	G	D	-0.6958
11	K	D	-1.2393
12	T	D	-0.6988
13	I	D	0.0000
14	T	D	-0.5262
15	L	D	0.0000
16	E	D	-2.2201
17	V	D	0.0000
18	E	D	-2.6794
19	P	D	-2.0959
20	S	D	-1.4785
21	D	D	-1.6692
22	T	D	-1.9084
23	I	D	0.0000
24	E	D	-1.9456
25	N	D	-1.5326
26	V	D	0.0000
27	K	D	-1.1849
28	A	D	-1.0942
29	K	D	-1.4883
30	I	D	0.0000
31	Q	D	-1.2156
32	D	D	-1.2263
33	K	D	-1.0638
34	E	D	0.0000
35	G	D	-0.6511
36	I	D	0.0000
37	P	D	-0.6439
38	P	D	-1.0545
39	D	D	0.0000
40	Q	D	0.0000
41	Q	D	0.0000
42	R	D	-1.2784
43	L	D	0.0000
44	I	D	-1.0617
45	F	D	-0.6145
46	A	D	-0.7546
47	G	D	-1.2548
48	K	D	-2.3126
49	Q	D	-2.4210
50	L	D	0.0000
51	E	D	-3.2225
52	D	D	-2.7363
53	G	D	-2.4790
54	R	D	-2.6871
55	T	D	-2.2985
56	L	D	0.0000
57	S	D	-2.2397
58	D	D	-2.5466
59	Y	D	0.0000
60	N	D	-2.3416
61	I	D	0.0000
62	Q	D	-2.9287
63	K	D	-3.3060
64	E	D	-2.1507
65	S	D	-1.5113
66	T	D	-0.6496
67	L	D	0.0000
68	H	D	-0.5537
69	L	D	0.0000
70	V	D	0.0000
71	L	D	0.0000
72	R	D	-0.7658
73	L	D	0.0000
74	R	D	0.0000
75	G	D	-0.6131
76	G	D	-0.6893
1	M	E	-2.1796
2	Q	E	-2.4945
3	I	E	0.0000
4	F	E	-0.6143
5	V	E	0.0000
6	K	E	-0.6182
7	T	E	0.0000
8	L	E	0.6964
9	T	E	0.0020
10	G	E	-0.6547
11	K	E	-0.9195
12	T	E	-0.5057
13	I	E	0.0000
14	T	E	-0.6886
15	L	E	0.0000
16	E	E	-2.8010
17	V	E	0.0000
18	E	E	-2.8423
19	P	E	-2.1012
20	S	E	-1.4741
21	D	E	-1.6607
22	T	E	-1.6950
23	I	E	0.0000
24	E	E	-1.5633
25	N	E	-1.3699
26	V	E	0.0000
27	K	E	0.0000
28	A	E	-0.9967
29	K	E	-1.5568
30	I	E	0.0000
31	Q	E	-1.2416
32	D	E	-1.3326
33	K	E	-1.0903
34	E	E	0.0000
35	G	E	-0.7189
36	I	E	0.0000
37	P	E	-0.5469
38	P	E	-0.8807
39	D	E	0.0000
40	Q	E	0.0000
41	Q	E	0.0000
42	R	E	-0.7583
43	L	E	0.0000
44	I	E	-0.6957
45	F	E	-0.3834
46	A	E	-0.4063
47	G	E	-1.0207
48	K	E	-1.7105
49	Q	E	-1.8040
50	L	E	0.0000
51	E	E	-2.3182
52	D	E	-2.1093
53	G	E	-2.0306
54	R	E	-2.3508
55	T	E	-2.0938
56	L	E	0.0000
57	S	E	-2.1689
58	D	E	-2.4544
59	Y	E	-1.9031
60	N	E	-2.2826
61	I	E	0.0000
62	Q	E	-3.1196
63	K	E	-3.7558
64	E	E	-2.9370
65	S	E	-1.8409
66	T	E	-0.7685
67	L	E	0.0000
68	H	E	-0.4714
69	L	E	0.0000
70	V	E	0.0000
71	L	E	0.0000
72	R	E	-0.5234
73	L	E	0.0000
74	R	E	0.0000
75	G	E	-0.7284
76	G	E	-0.9267
1	M	F	-2.0244
2	Q	F	-2.4342
3	I	F	0.0000
4	F	F	-0.8233
5	V	F	0.0000
6	K	F	-0.6978
7	T	F	0.0000
8	L	F	0.4934
9	T	F	-0.0756
10	G	F	-0.6639
11	K	F	-0.9639
12	T	F	-0.6063
13	I	F	0.0000
14	T	F	-0.6455
15	L	F	0.0000
16	E	F	-2.3803
17	V	F	0.0000
18	E	F	-2.7127
19	P	F	-2.0871
20	S	F	-1.4543
21	D	F	-1.4862
22	T	F	-1.7663
23	I	F	0.0000
24	E	F	-1.7022
25	N	F	-1.4331
26	V	F	0.0000
27	K	F	0.0000
28	A	F	-0.9566
29	K	F	-1.3808
30	I	F	0.0000
31	Q	F	-1.1491
32	D	F	-1.1467
33	K	F	-1.0217
34	E	F	0.0000
35	G	F	-0.6569
36	I	F	0.0000
37	P	F	-0.5729
38	P	F	-0.8769
39	D	F	0.0000
40	Q	F	0.0000
41	Q	F	0.0000
42	R	F	-0.7923
43	L	F	0.0000
44	I	F	-0.9117
45	F	F	-0.5798
46	A	F	-0.7628
47	G	F	-1.2270
48	K	F	-2.1711
49	Q	F	-2.1998
50	L	F	0.0000
51	E	F	-2.8604
52	D	F	-2.2920
53	G	F	-1.9337
54	R	F	-2.3366
55	T	F	-2.1218
56	L	F	0.0000
57	S	F	-2.2036
58	D	F	-2.4228
59	Y	F	-2.0116
60	N	F	-2.2851
61	I	F	0.0000
62	Q	F	-3.1317
63	K	F	-3.7501
64	E	F	-3.1593
65	S	F	-1.9652
66	T	F	-0.9008
67	L	F	0.0000
68	H	F	-0.6705
69	L	F	0.0000
70	V	F	0.0000
71	L	F	0.0000
72	R	F	-0.5424
73	L	F	0.0000
74	R	F	0.0000
75	G	F	-0.6009
76	G	F	-0.9090
1	M	G	-1.7954
2	Q	G	-1.9641
3	I	G	0.0000
4	F	G	-0.5614
5	V	G	0.0000
6	K	G	-0.6807
7	T	G	0.0000
8	L	G	0.5645
9	T	G	-0.0417
10	G	G	-0.5673
11	K	G	-0.8794
12	T	G	-0.5572
13	I	G	0.0000
14	T	G	-0.4414
15	L	G	0.0000
16	E	G	-2.2011
17	V	G	0.0000
18	E	G	-2.6511
19	P	G	-2.0021
20	S	G	-1.4109
21	D	G	-1.5865
22	T	G	-1.7292
23	I	G	0.0000
24	E	G	-1.7144
25	N	G	-1.4115
26	V	G	0.0000
27	K	G	0.0000
28	A	G	-0.9657
29	K	G	-1.3635
30	I	G	0.0000
31	Q	G	-1.1695
32	D	G	-1.1584
33	K	G	-1.0362
34	E	G	0.0000
35	G	G	-0.6569
36	I	G	0.0000
37	P	G	-0.5756
38	P	G	0.0000
39	D	G	0.0000
40	Q	G	0.0000
41	Q	G	0.0000
42	R	G	-1.0353
43	L	G	0.0000
44	I	G	-1.1699
45	F	G	-0.6784
46	A	G	-0.7996
47	G	G	-1.3774
48	K	G	-2.4135
49	Q	G	-2.4084
50	L	G	0.0000
51	E	G	-3.0137
52	D	G	-2.3924
53	G	G	-2.0630
54	R	G	-2.3856
55	T	G	-2.0306
56	L	G	0.0000
57	S	G	-2.0302
58	D	G	-2.1421
59	Y	G	-1.8609
60	N	G	-2.1589
61	I	G	0.0000
62	Q	G	-2.8782
63	K	G	-3.2319
64	E	G	-2.1590
65	S	G	-1.4160
66	T	G	-0.6347
67	L	G	0.0000
68	H	G	-0.5760
69	L	G	0.0000
70	V	G	0.0000
71	L	G	0.0000
72	R	G	-0.5969
73	L	G	0.0000
74	R	G	0.0000
75	G	G	-0.5947
76	G	G	-0.9231
1	M	H	-2.0634
2	Q	H	-2.2446
3	I	H	0.0000
4	F	H	-0.7201
5	V	H	0.0000
6	K	H	-0.6509
7	T	H	0.0000
8	L	H	0.7816
9	T	H	0.1561
10	G	H	-0.5082
11	K	H	-0.9851
12	T	H	-0.6063
13	I	H	0.0000
14	T	H	-0.6503
15	L	H	0.0000
16	E	H	-2.6607
17	V	H	0.0000
18	E	H	-2.7453
19	P	H	-2.0654
20	S	H	-1.4986
21	D	H	-1.6930
22	T	H	-1.9801
23	I	H	0.0000
24	E	H	-1.8420
25	N	H	-1.3845
26	V	H	0.0000
27	K	H	-1.1109
28	A	H	-1.0711
29	K	H	-1.5155
30	I	H	0.0000
31	Q	H	-1.2517
32	D	H	-1.2182
33	K	H	-1.0544
34	E	H	0.0000
35	G	H	-0.6798
36	I	H	0.0000
37	P	H	-0.6417
38	P	H	-0.9590
39	D	H	0.0000
40	Q	H	0.0000
41	Q	H	0.0000
42	R	H	-0.9066
43	L	H	0.0000
44	I	H	-1.1013
45	F	H	-0.7436
46	A	H	-0.7122
47	G	H	-1.4055
48	K	H	-2.4405
49	Q	H	-2.3713
50	L	H	0.0000
51	E	H	-2.5449
52	D	H	-2.6126
53	G	H	-2.3404
54	R	H	-2.9492
55	T	H	-2.3846
56	L	H	0.0000
57	S	H	-2.2648
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