Project name: S87

Chain sequence(s)	A: MQLSHHHHHHHHGSHHWARRARLAELEARALLALTDGIALDTEFAIDLAELRALLAAQAEGIELSPEERARLAELQALLAEAKAR
Selected Chain(s)	A
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 A 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                                          (00:01:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:39)

• Minimal score value: -3.1838
• Maximal score value: 0.7975
• Average score: -1.2676
• Total score value: -107.7442

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	0.7833
2	Q	A	-0.0889
3	L	A	0.7478
4	S	A	-0.4787
5	H	A	-1.6982
6	H	A	-2.1898
7	H	A	-2.6159
8	H	A	-2.5402
9	H	A	-2.5488
10	H	A	-2.5315
11	H	A	-2.3196
12	H	A	-2.1294
13	G	A	-1.5936
14	S	A	-1.3127
15	H	A	-1.5219
16	H	A	-1.1637
17	W	A	-0.2688
18	A	A	-0.6603
19	R	A	-1.5885
20	R	A	-1.7767
21	A	A	-1.5245
22	R	A	-2.4740
23	L	A	-1.9449
24	A	A	-2.0502
25	E	A	-2.8857
26	L	A	-2.2337
27	E	A	-2.0410
28	A	A	-1.4023
29	R	A	-1.9391
30	A	A	0.0000
31	L	A	0.3103
32	L	A	0.7431
33	A	A	-0.1890
34	L	A	0.4475
35	T	A	0.0523
36	D	A	-1.2409
37	G	A	-0.5273
38	I	A	0.7975
39	A	A	0.4363
40	L	A	0.3509
41	D	A	-1.5049
42	T	A	-1.1138
43	E	A	-1.6625
44	F	A	-0.5065
45	A	A	0.2353
46	I	A	0.4538
47	D	A	-0.7458
48	L	A	-0.2933
49	A	A	0.0000
50	E	A	-0.8910
51	L	A	0.0000
52	R	A	-2.1147
53	A	A	0.0000
54	L	A	0.0000
55	L	A	-0.8678
56	A	A	-1.5176
57	A	A	0.0000
58	Q	A	-2.2491
59	A	A	-1.4543
60	E	A	-2.5681
61	G	A	-1.9637
62	I	A	-1.8482
63	E	A	-2.5909
64	L	A	0.0000
65	S	A	-1.7933
66	P	A	-2.1360
67	E	A	-2.7572
68	E	A	-2.6304
69	R	A	-3.1838
70	A	A	-2.3079
71	R	A	-2.3405
72	L	A	-1.9603
73	A	A	-1.6506
74	E	A	-2.0450
75	L	A	0.0000
76	Q	A	-1.4773
77	A	A	-1.1030
78	L	A	-0.6371
79	L	A	-0.8684
80	A	A	-1.5371
81	E	A	-2.1987
82	A	A	-1.8010
83	K	A	-2.5548
84	A	A	-2.0607
85	R	A	-2.6872