Project name: 7175633f8599776

Chain sequence(s)	A: MSHHHHHHSGSMMGWSLDLEYNVETKEITIKDEHSKEMLKKEGFGDEETFLGALKEVLDILLGNFDENITNEEKFEKAKAEAKKILEKLGYEMEAWFYQDESIPSDKGYMLQLWIKHKGVWYAIFVDIKKEENS
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:36)

• Minimal score value: -4.6291
• Maximal score value: 1.5775
• Average score: -1.5584
• Total score value: -208.8294

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	0.5636
2	S	A	-0.6173
3	H	A	-1.7410
4	H	A	-2.3399
5	H	A	-2.7412
6	H	A	-2.7445
7	H	A	-2.5643
8	H	A	-2.1783
9	S	A	-1.3132
10	G	A	-0.8586
11	S	A	0.2658
12	M	A	1.4086
13	M	A	1.5775
14	G	A	0.9954
15	W	A	0.9009
16	S	A	0.2236
17	L	A	0.0000
18	D	A	-1.5111
19	L	A	0.0000
20	E	A	-1.2079
21	Y	A	0.0000
22	N	A	-2.6576
23	V	A	-2.8017
24	E	A	-3.5879
25	T	A	-2.5160
26	K	A	-3.3962
27	E	A	-2.8958
28	I	A	-1.4013
29	T	A	-1.0380
30	I	A	-1.6001
31	K	A	-2.6834
32	D	A	-3.2175
33	E	A	-4.0085
34	H	A	-3.4117
35	S	A	0.0000
36	K	A	-4.5315
37	E	A	-4.6291
38	M	A	0.0000
39	L	A	0.0000
40	K	A	-4.2859
41	K	A	-3.5305
42	E	A	-2.4669
43	G	A	-2.2934
44	F	A	0.0000
45	G	A	-2.3392
46	D	A	-3.5876
47	E	A	-3.8400
48	E	A	-3.2205
49	T	A	-2.1954
50	F	A	0.0000
51	L	A	-1.7686
52	G	A	-1.9401
53	A	A	0.0000
54	L	A	0.0000
55	K	A	-2.6538
56	E	A	-2.8928
57	V	A	0.0000
58	L	A	0.0000
59	D	A	-2.3366
60	I	A	-1.4309
61	L	A	0.0000
62	L	A	0.0000
63	G	A	-1.9902
64	N	A	-2.4627
65	F	A	0.0000
66	D	A	-2.3486
67	E	A	-2.8240
68	N	A	0.0000
69	I	A	-1.1710
70	T	A	-1.6731
71	N	A	-2.9890
72	E	A	-4.1474
73	E	A	-4.4993
74	K	A	-4.3564
75	F	A	0.0000
76	E	A	-4.3452
77	K	A	-4.1932
78	A	A	-3.0080
79	K	A	0.0000
80	A	A	-2.6521
81	E	A	-3.2741
82	A	A	0.0000
83	K	A	-3.2678
84	K	A	-3.7294
85	I	A	-2.6940
86	L	A	0.0000
87	E	A	-3.8615
88	K	A	-3.1019
89	L	A	-1.6428
90	G	A	-2.3407
91	Y	A	0.0000
92	E	A	-3.0454
93	M	A	0.0000
94	E	A	-0.6048
95	A	A	0.0000
96	W	A	1.0514
97	F	A	1.1096
98	Y	A	0.6747
99	Q	A	-1.4381
100	D	A	-2.2196
101	E	A	-2.9243
102	S	A	-1.4570
103	I	A	-1.3273
104	P	A	-1.2287
105	S	A	-2.0415
106	D	A	-2.8176
107	K	A	-2.6624
108	G	A	0.0000
109	Y	A	-1.1268
110	M	A	0.1150
111	L	A	0.0000
112	Q	A	0.5936
113	L	A	0.0000
114	W	A	-0.0808
115	I	A	0.0000
116	K	A	-1.5543
117	H	A	0.0000
118	K	A	-2.1808
119	G	A	-0.9891
120	V	A	-0.1133
121	W	A	0.1177
122	Y	A	0.0000
123	A	A	0.0000
124	I	A	0.0000
125	F	A	0.2519
126	V	A	0.0000
127	D	A	0.0000
128	I	A	0.0000
129	K	A	-2.8400
130	K	A	-3.6927
131	E	A	-4.2958
132	E	A	-3.9274
133	N	A	-2.9017
134	S	A	-1.6611