Project name: 91496d640c31ba1

Chain sequence(s)	A: MSHHHHHHSGSPEEELERLLKEIREQREEILEKIKKLSEGEEVDPEEIWDKLWEFFKKIDRALMIRVMTSDDIEAERERMRELHRAWSEAMHAFLNLRFADEPNPEYYERIKEALERALRAVDPSLVNS
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]                                                (00:00:00)
[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 A 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                                          (00:05:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:47)

• Minimal score value: -4.2097
• Maximal score value: 0.8223
• Average score: -1.8806
• Total score value: -242.5943

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	0.5510
2	S	A	-0.6434
3	H	A	-1.7367
4	H	A	-2.3619
5	H	A	-2.7348
6	H	A	-2.7698
7	H	A	-2.5355
8	H	A	-2.3800
9	S	A	-1.4104
10	G	A	-1.5780
11	S	A	-1.5816
12	P	A	-1.8455
13	E	A	-3.0435
14	E	A	-2.9687
15	E	A	-2.5640
16	L	A	-2.5347
17	E	A	-3.3852
18	R	A	-3.2614
19	L	A	0.0000
20	L	A	-2.5014
21	K	A	-3.6196
22	E	A	-3.5920
23	I	A	0.0000
24	R	A	-3.2764
25	E	A	-4.1647
26	Q	A	-3.6140
27	R	A	-3.1869
28	E	A	-4.1732
29	E	A	-4.2097
30	I	A	0.0000
31	L	A	-2.8212
32	E	A	-3.5810
33	K	A	-3.6054
34	I	A	0.0000
35	K	A	-3.1893
36	K	A	-3.3629
37	L	A	-3.0227
38	S	A	0.0000
39	E	A	-3.6371
40	G	A	-3.3009
41	E	A	-4.0133
42	E	A	-3.4973
43	V	A	-3.0689
44	D	A	-3.5502
45	P	A	-2.7220
46	E	A	-3.7431
47	E	A	-3.8105
48	I	A	0.0000
49	W	A	-2.1350
50	D	A	-3.0112
51	K	A	-2.6597
52	L	A	0.0000
53	W	A	-1.2866
54	E	A	-2.4743
55	F	A	0.0000
56	F	A	0.0000
57	K	A	-2.5502
58	K	A	-2.1557
59	I	A	0.0000
60	D	A	-2.0300
61	R	A	-1.6155
62	A	A	0.0000
63	L	A	0.0000
64	M	A	0.0485
65	I	A	0.0000
66	R	A	-0.6300
67	V	A	-0.2710
68	M	A	0.8223
69	T	A	-0.3376
70	S	A	-1.1818
71	D	A	-2.5104
72	D	A	-2.8669
73	I	A	-1.8204
74	E	A	-3.2170
75	A	A	-2.5812
76	E	A	0.0000
77	R	A	-3.7111
78	E	A	-4.0327
79	R	A	-3.5358
80	M	A	-3.0931
81	R	A	-4.0351
82	E	A	-3.4632
83	L	A	0.0000
84	H	A	-3.0581
85	R	A	-3.1861
86	A	A	0.0000
87	W	A	-1.6193
88	S	A	-1.4518
89	E	A	-1.8950
90	A	A	0.0000
91	M	A	0.0000
92	H	A	-1.3807
93	A	A	0.0000
94	F	A	0.0000
95	L	A	-0.0812
96	N	A	-0.9455
97	L	A	0.0000
98	R	A	-0.9168
99	F	A	0.5159
100	A	A	-1.0967
101	D	A	-2.4860
102	E	A	-2.9748
103	P	A	-2.7287
104	N	A	-2.5642
105	P	A	-2.4982
106	E	A	-2.8494
107	Y	A	-2.5183
108	Y	A	-2.8546
109	E	A	-3.7156
110	R	A	-3.4305
111	I	A	0.0000
112	K	A	-3.0577
113	E	A	-3.2979
114	A	A	0.0000
115	L	A	0.0000
116	E	A	-2.0430
117	R	A	-2.3625
118	A	A	0.0000
119	L	A	0.0000
120	R	A	-2.3845
121	A	A	0.0000
122	V	A	0.0000
123	D	A	-1.1889
124	P	A	-1.4673
125	S	A	-1.0711
126	L	A	0.0000
127	V	A	-1.2352
128	N	A	-1.5660
129	S	A	-0.8021