Project name: 6a84cad4a832e83

Chain sequence(s)	A: MSRRNTDAITIHSILDWIEDNLESPLSLEKVSERSGYSKWHLQRMFKKETGHSLGQYIRSRKMTEIAQKLKESNEPILY; B: MSRRNTDAITIHSILDWIEDNLESPLSLEKVSERSGYSKWHLQRMFKKETGHSLGQYIRSRKMTEIAQKLKESNEPILY
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:32)

• Minimal score value: -3.9093
• Maximal score value: 1.7111
• Average score: -1.3423
• Total score value: -212.0773

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	0.3429
2	S	A	-1.3595
3	R	A	-3.1488
4	R	A	-3.8599
5	N	A	-3.1347
6	T	A	-2.0074
7	D	A	-1.8778
8	A	A	-0.2856
9	I	A	0.0000
10	T	A	0.0000
11	I	A	0.0000
12	H	A	-1.6635
13	S	A	-0.7451
14	I	A	0.0000
15	L	A	0.0000
16	D	A	-2.6111
17	W	A	-1.7162
18	I	A	0.0000
19	E	A	-2.5719
20	D	A	-2.9284
21	N	A	-2.1664
22	L	A	0.0000
23	E	A	-2.4269
24	S	A	-1.3889
25	P	A	-0.7893
26	L	A	0.0000
27	S	A	-1.1778
28	L	A	-1.4647
29	E	A	-2.8629
30	K	A	-2.4619
31	V	A	0.0000
32	S	A	-2.5270
33	E	A	-3.3594
34	R	A	-3.0657
35	S	A	-2.3733
36	G	A	-2.0498
37	Y	A	-1.0699
38	S	A	-1.3012
39	K	A	-1.9805
40	W	A	-0.4618
41	H	A	-1.0972
42	L	A	0.0000
43	Q	A	-2.1026
44	R	A	-2.9481
45	M	A	-2.0363
46	F	A	0.0000
47	K	A	-3.1697
48	K	A	-3.0849
49	E	A	-1.8084
50	T	A	0.0000
51	G	A	-1.7400
52	H	A	-1.5728
53	S	A	-1.6949
54	L	A	0.0000
55	G	A	-1.1637
56	Q	A	-1.4052
57	Y	A	0.0000
58	I	A	0.0000
59	R	A	-2.2753
60	S	A	0.0000
61	R	A	0.0000
62	K	A	-1.5754
63	M	A	0.0000
64	T	A	0.0000
65	E	A	-1.6263
66	I	A	-0.4577
67	A	A	0.0000
68	Q	A	-2.1078
69	K	A	-2.5897
70	L	A	-1.9823
71	K	A	-3.0174
72	E	A	-3.3623
73	S	A	-2.3957
74	N	A	-2.1688
75	E	A	-1.9304
76	P	A	-0.2408
77	I	A	1.3965
78	L	A	0.9839
79	Y	A	1.5641
1	M	B	0.3471
2	S	B	-1.4092
3	R	B	-3.1978
4	R	B	-3.9093
5	N	B	-3.1399
6	T	B	-2.0362
7	D	B	-1.8638
8	A	B	-0.3116
9	I	B	0.0000
10	T	B	0.0000
11	I	B	0.0000
12	H	B	-1.8067
13	S	B	-0.7973
14	I	B	0.0000
15	L	B	0.0000
16	D	B	-2.6254
17	W	B	-1.7786
18	I	B	0.0000
19	E	B	-2.4642
20	D	B	-2.8626
21	N	B	-2.0739
22	L	B	-2.0051
23	E	B	-2.4448
24	S	B	-1.3381
25	P	B	-0.7243
26	L	B	0.0000
27	S	B	-1.1114
28	L	B	-1.4442
29	E	B	-2.7889
30	K	B	-2.5250
31	V	B	0.0000
32	S	B	-2.6343
33	E	B	-3.5788
34	R	B	-3.5658
35	S	B	-2.6505
36	G	B	-2.2085
37	Y	B	-1.3482
38	S	B	-1.2409
39	K	B	-1.8350
40	W	B	-0.3367
41	H	B	-0.9511
42	L	B	0.0000
43	Q	B	-1.9282
44	R	B	-2.7042
45	M	B	-1.8449
46	F	B	0.0000
47	K	B	-3.0292
48	K	B	-3.0501
49	E	B	-1.9368
50	T	B	0.0000
51	G	B	-1.7315
52	H	B	-1.5351
53	S	B	-1.6354
54	L	B	0.0000
55	G	B	-1.1370
56	Q	B	-1.3857
57	Y	B	0.0000
58	I	B	0.0000
59	R	B	-2.2330
60	S	B	0.0000
61	R	B	0.0000
62	K	B	-1.4123
63	M	B	0.0000
64	T	B	0.0000
65	E	B	-1.4943
66	I	B	-0.1209
67	A	B	0.0000
68	Q	B	-1.9966
69	K	B	-2.4895
70	L	B	-1.8049
71	K	B	-2.8332
72	E	B	-3.2919
73	S	B	-2.3326
74	N	B	-2.0962
75	E	B	-1.8473
76	P	B	-0.0785
77	I	B	1.6694
78	L	B	1.2561
79	Y	B	1.7111