Project name: 9a53cec3d042f2a

Chain sequence(s)	A: LKHSISDYTEAEFLQLVTTIICNADTSSEEELVKLVTHFEEMTEHPSGSALIYYPKEGDDDSPSGIVNTVKQWRAANGKSGFKQ; B: KRNKPGKATGKGKPVGDKWLDDAGKDSGAPIPDRIADKLRDKEFKSFDDFRKAVWEEVSKDPELSKNLNPSNKSSVSKGYSPFTPKNQQVGGRKVYELHHDKPISQGGEVYDMDNIRVTTPKRHIDIHRG; E: LKHSISDYTEAEFLQLVTTICNADTSSEEELVKLVTHFEEMTEHPSGSALIYYPKEGDDDSPSGIVNTVKQWRAANGKSGFKQ; F: ESKRNKPGKATGKGKPVGDKWLDDAGKDSGAPIPDRIADKLRDKEFKSFDDFRRKAVWEEVSKDPELSKNLNPSNKSSVSKGYSPFTPKNQQVGGRKVYELHHDKPISQGGEVYDMDNIRVTTPKRHIDIHRG
Selected Chain(s)	A,B,E,F
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                                          (00:16:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:49)

• Minimal score value: -4.635
• Maximal score value: 0.2626
• Average score: -1.488
• Total score value: -636.8526

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
3	L	A	0.2626
4	K	A	-1.7160
5	H	A	-1.7915
6	S	A	-1.5968
7	I	A	0.0000
8	S	A	-1.3585
9	D	A	-1.4784
10	Y	A	-1.4498
11	T	A	-1.8698
12	E	A	-2.3125
13	A	A	-1.4595
14	E	A	-2.0904
15	F	A	0.0000
16	L	A	-1.0158
17	Q	A	-1.5671
18	L	A	-0.6825
19	V	A	0.0000
20	T	A	-1.0265
21	T	A	-1.1712
22	I	A	0.0000
23	C	A	0.0000
24	N	A	-1.9316
25	A	A	0.0000
26	D	A	-2.5339
27	T	A	-1.9110
28	S	A	-1.3785
29	S	A	-1.7083
30	E	A	-2.1399
31	E	A	-3.0754
32	E	A	-3.1365
33	L	A	0.0000
34	V	A	-1.8849
35	K	A	-2.5499
36	L	A	-1.3324
37	V	A	0.0000
38	T	A	-1.1910
39	H	A	-1.4952
40	F	A	0.0000
41	E	A	-1.7605
42	E	A	-2.6968
43	M	A	0.0000
44	T	A	0.0000
45	E	A	-2.6858
46	H	A	-1.5235
47	P	A	-0.9518
48	S	A	0.0000
49	G	A	-1.3044
50	S	A	0.0000
51	A	A	0.0000
52	L	A	0.0000
53	I	A	0.0000
54	Y	A	0.0000
55	Y	A	-0.5975
56	P	A	-1.8915
57	K	A	-3.1757
58	E	A	-3.3143
59	G	A	-2.6904
60	D	A	-3.1724
61	D	A	-3.1723
62	D	A	-1.9417
63	S	A	-1.1348
64	P	A	-0.8687
65	S	A	-0.8657
66	G	A	0.0000
67	I	A	0.0000
68	V	A	0.0000
69	N	A	-2.2462
70	T	A	-1.6869
71	V	A	0.0000
72	K	A	-2.2994
73	Q	A	-2.0492
74	W	A	-1.4592
75	R	A	0.0000
76	A	A	-1.2687
77	A	A	-0.9546
78	N	A	-1.3383
79	G	A	-1.2683
80	K	A	-1.7706
81	S	A	-1.2122
82	G	A	-1.5960
83	F	A	-1.4684
84	K	A	-2.1328
85	Q	A	-1.9458
4	K	B	-3.4605
5	R	B	-3.7286
6	N	B	-4.0477
7	K	B	-3.7259
8	P	B	-3.3035
9	G	B	-3.4533
10	K	B	-4.0498
11	A	B	0.0000
12	T	B	-2.7640
13	G	B	-2.4351
14	K	B	-3.3131
15	G	B	-2.8491
16	K	B	-2.5736
17	P	B	-1.3493
18	V	B	-1.4973
19	G	B	-2.0494
20	D	B	-3.8820
21	K	B	-3.7165
22	W	B	0.0000
23	L	B	-2.3445
24	D	B	-3.6743
25	D	B	-3.8858
26	A	B	0.0000
27	G	B	-2.6207
28	K	B	-3.6481
29	D	B	-3.0156
30	S	B	-1.9459
31	G	B	-2.1874
32	A	B	0.0000
33	P	B	-1.3553
34	I	B	0.0000
35	P	B	0.0000
36	D	B	-2.6766
37	R	B	-2.4888
38	I	B	0.0000
39	A	B	0.0000
40	D	B	-3.7039
41	K	B	-3.4440
42	L	B	0.0000
43	R	B	-3.9428
44	D	B	-4.3205
45	K	B	-4.1993
46	E	B	-4.3407
47	F	B	0.0000
48	K	B	-3.8167
49	S	B	-3.7040
50	F	B	0.0000
51	D	B	-3.4018
52	D	B	-3.2405
53	F	B	0.0000
54	R	B	-2.1521
55	K	B	-2.7077
56	A	B	0.0000
57	V	B	0.0000
58	W	B	0.0000
59	E	B	-2.2825
60	E	B	-1.9862
61	V	B	0.0000
62	S	B	-2.1595
63	K	B	-2.6475
64	D	B	0.0000
65	P	B	-2.1271
66	E	B	-3.1489
67	L	B	0.0000
68	S	B	0.0000
69	K	B	-3.2763
70	N	B	-2.8279
71	L	B	0.0000
72	N	B	-0.9666
73	P	B	-1.0906
74	S	B	0.0000
75	N	B	0.0000
76	K	B	-1.8814
77	S	B	-1.3505
78	S	B	0.0000
79	V	B	0.0000
80	S	B	-1.7093
81	K	B	-1.8729
82	G	B	0.0000
83	Y	B	0.0000
84	S	B	0.0000
85	P	B	0.0000
86	F	B	0.0000
87	T	B	0.0000
88	P	B	-1.3283
89	K	B	-2.0089
90	N	B	-2.1327
91	Q	B	-1.7308
92	Q	B	-1.5597
93	V	B	-0.7424
94	G	B	-0.8057
95	G	B	-1.4508
96	R	B	-1.3713
97	K	B	0.0000
98	V	B	0.0000
99	Y	B	0.0000
100	E	B	-0.6512
101	L	B	0.0000
102	H	B	0.0000
103	H	B	0.0000
104	D	B	-2.4196
105	K	B	-3.0556
106	P	B	-2.0100
107	I	B	-1.7923
108	S	B	-1.4104
109	Q	B	-1.9945
110	G	B	-1.9081
111	G	B	0.0000
112	E	B	-2.9367
113	V	B	0.0000
114	Y	B	0.0000
115	D	B	-2.0578
116	M	B	0.0000
117	D	B	-3.1655
118	N	B	-2.2794
119	I	B	0.0000
120	R	B	-1.1533
121	V	B	0.0000
122	T	B	0.0000
123	T	B	0.0000
124	P	B	0.0000
125	K	B	-1.5320
126	R	B	-1.9066
127	H	B	-1.4209
128	I	B	-0.9387
129	D	B	-1.8922
130	I	B	-1.6925
131	H	B	-1.9031
132	R	B	-2.5431
133	G	B	-1.5700
3	L	E	0.1772
4	K	E	-1.5926
5	H	E	-1.8253
6	S	E	-1.2859
7	I	E	0.0000
8	S	E	-1.1741
9	D	E	-1.1507
10	Y	E	-1.1030
11	T	E	-1.1928
12	E	E	-1.7076
13	A	E	-0.8661
14	E	E	-1.1216
15	F	E	0.0000
16	L	E	-0.7713
17	Q	E	-1.3680
18	L	E	0.0000
19	V	E	0.0000
20	T	E	-1.0259
21	T	E	-1.2114
22	I	E	0.0000
23	C	E	0.0000
24	N	E	-1.9195
25	A	E	0.0000
26	D	E	-2.4653
27	T	E	-1.7389
28	S	E	-1.2279
29	S	E	-1.5216
30	E	E	-2.0966
31	E	E	-3.0096
32	E	E	-2.6597
33	L	E	0.0000
34	V	E	0.0000
35	K	E	-2.6224
36	L	E	-1.2042
37	V	E	0.0000
38	T	E	-1.4825
39	H	E	-1.5608
40	F	E	0.0000
41	E	E	-1.8911
42	E	E	-2.6793
43	M	E	0.0000
44	T	E	0.0000
45	E	E	-2.6347
46	H	E	-1.4963
47	P	E	-0.9126
48	S	E	-0.9512
49	G	E	0.0000
50	S	E	0.0000
51	A	E	-0.6268
52	L	E	0.0000
53	I	E	0.0000
54	Y	E	0.0000
55	Y	E	-0.5269
56	P	E	-1.9727
57	K	E	-3.2348
58	E	E	-3.4067
59	G	E	-2.7896
60	D	E	-3.3033
61	D	E	-3.3047
62	D	E	-1.9566
63	S	E	-1.1625
64	P	E	-0.9121
65	S	E	-0.9361
66	G	E	0.0000
67	I	E	0.0000
68	V	E	0.0000
69	N	E	-2.4171
70	T	E	-1.9019
71	V	E	0.0000
72	K	E	-2.5190
73	Q	E	-2.2787
74	W	E	-1.5573
75	R	E	0.0000
76	A	E	-1.2858
77	A	E	-0.9384
78	N	E	-1.2510
79	G	E	-1.1745
80	K	E	-1.7838
81	S	E	-1.1649
82	G	E	-1.5804
83	F	E	-1.3376
84	K	E	-1.7793
85	Q	E	-1.7657
2	E	F	-2.9302
3	S	F	-3.2039
4	K	F	-4.0082
5	R	F	-4.6350
6	N	F	-4.5962
7	K	F	-4.1924
8	P	F	-3.3854
9	G	F	-3.1995
10	K	F	-4.0156
11	A	F	0.0000
12	T	F	-2.6203
13	G	F	-2.2476
14	K	F	-3.2567
15	G	F	0.0000
16	K	F	-2.7032
17	P	F	-1.5473
18	V	F	-1.5470
19	G	F	-2.3167
20	D	F	-3.8163
21	K	F	-3.5547
22	W	F	0.0000
23	L	F	-2.1092
24	D	F	-3.2676
25	D	F	-2.9828
26	A	F	0.0000
27	G	F	-2.3818
28	K	F	-3.4583
29	D	F	-2.9431
30	S	F	-1.9838
31	G	F	-1.9357
32	A	F	0.0000
33	P	F	-1.1632
34	I	F	0.0000
35	P	F	0.0000
36	D	F	-3.0584
37	R	F	-2.7004
38	I	F	0.0000
39	A	F	0.0000
40	D	F	-3.6824
41	K	F	-3.2301
42	L	F	0.0000
43	R	F	-3.7946
44	D	F	-4.2649
45	K	F	-4.1339
46	E	F	-4.3210
47	F	F	0.0000
48	K	F	-3.6845
49	S	F	-3.7989
50	F	F	0.0000
51	D	F	-2.7766
52	D	F	-2.8169
53	F	F	0.0000
54	R	F	-2.3289
55	K	F	-2.9274
56	A	F	-2.1614
57	V	F	0.0000
58	W	F	0.0000
59	E	F	-2.4129
60	E	F	-2.0089
61	V	F	0.0000
62	S	F	-2.1577
63	K	F	-2.5084
64	D	F	-2.1276
65	P	F	-2.1505
66	E	F	-2.9383
67	L	F	0.0000
68	S	F	0.0000
69	K	F	-3.1097
70	N	F	-2.9983
71	L	F	0.0000
72	N	F	-1.0058
73	P	F	-1.1534
74	S	F	0.0000
75	N	F	0.0000
76	K	F	-1.9346
77	S	F	-1.3733
78	S	F	0.0000
79	V	F	0.0000
80	S	F	-1.7436
81	K	F	-1.9815
82	G	F	0.0000
83	Y	F	-1.3248
84	S	F	0.0000
85	P	F	0.0000
86	F	F	0.0000
87	T	F	0.0000
88	P	F	-1.1344
89	K	F	-1.6343
90	N	F	-2.0120
91	Q	F	-1.7340
92	Q	F	0.0000
93	V	F	-0.5998
94	G	F	-0.8246
95	G	F	-1.5341
96	R	F	-1.7579
97	K	F	0.0000
98	V	F	-0.4891
99	Y	F	0.0000
100	E	F	-0.6214
101	L	F	-0.5069
102	H	F	0.0000
103	H	F	-1.7729
104	D	F	-2.6579
105	K	F	-2.8030
106	P	F	-1.9298
107	I	F	-2.0854
108	S	F	-1.6722
109	Q	F	-1.9530
110	G	F	-1.6955
111	G	F	0.0000
112	E	F	-2.7391
113	V	F	0.0000
114	Y	F	0.0000
115	D	F	-1.8550
116	M	F	0.0000
117	D	F	-2.4510
118	N	F	-2.0516
119	I	F	0.0000
120	R	F	-0.9615
121	V	F	0.0000
122	T	F	0.0000
123	T	F	0.0000
124	P	F	0.0000
125	K	F	-1.9890
126	R	F	-2.2276
127	H	F	-1.5340
128	I	F	-0.9543
129	D	F	-2.6013
130	I	F	-2.0783
131	H	F	-1.9699
132	R	F	-2.6771
133	G	F	-1.8283