Project name: e47661617931f6b

Chain sequence(s)	A: MSHHHHHHSGLLEELKEKIKKVMEKGLEKLKEVYATGKPGWKIYDEILEVLEEMLEEIKKVLEEYAPKLNLPGWEEKFPELKEEMMRTFHKFFFDHGLFYAPSDYELEEAFEKMFKVIEEFIEELLKESNS
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                                          (00:10:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:09)

• Minimal score value: -4.3145
• Maximal score value: 2.4587
• Average score: -1.7705
• Total score value: -231.9323

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	0.2418
2	S	A	-1.1038
3	H	A	-2.1308
4	H	A	-2.4669
5	H	A	-2.6422
6	H	A	-2.8081
7	H	A	-2.7630
8	H	A	-2.7418
9	S	A	-2.1358
10	G	A	-2.2131
11	L	A	-2.2092
12	L	A	-2.5159
13	E	A	-3.5147
14	E	A	-3.8128
15	L	A	0.0000
16	K	A	-3.1305
17	E	A	-4.1282
18	K	A	-3.5961
19	I	A	0.0000
20	K	A	-3.3489
21	K	A	-3.1743
22	V	A	0.0000
23	M	A	0.0000
24	E	A	-3.7581
25	K	A	-3.6339
26	G	A	0.0000
27	L	A	-3.0974
28	E	A	-4.2180
29	K	A	-3.5603
30	L	A	0.0000
31	K	A	-3.0966
32	E	A	-2.9169
33	V	A	-1.9271
34	Y	A	0.0000
35	A	A	-1.3976
36	T	A	-0.9646
37	G	A	-0.9269
38	K	A	-0.8682
39	P	A	0.5726
40	G	A	0.0000
41	W	A	1.0304
42	K	A	-1.3277
43	I	A	0.0000
44	Y	A	-1.0717
45	D	A	-2.7999
46	E	A	-3.3924
47	I	A	0.0000
48	L	A	-2.2472
49	E	A	-3.7331
50	V	A	0.0000
51	L	A	0.0000
52	E	A	-4.1429
53	E	A	-4.1831
54	M	A	0.0000
55	L	A	0.0000
56	E	A	-4.3145
57	E	A	-4.0232
58	I	A	0.0000
59	K	A	-3.7416
60	K	A	-3.9964
61	V	A	0.0000
62	L	A	0.0000
63	E	A	-4.0822
64	E	A	-3.5004
65	Y	A	-2.5313
66	A	A	0.0000
67	P	A	-2.2691
68	K	A	-2.7982
69	L	A	0.0000
70	N	A	-2.3129
71	L	A	0.0000
72	P	A	-1.6754
73	G	A	-2.1665
74	W	A	0.0000
75	E	A	-3.6143
76	E	A	-3.4515
77	K	A	-2.8960
78	F	A	0.0000
79	P	A	-2.8727
80	E	A	-3.7304
81	L	A	0.0000
82	K	A	-3.3870
83	E	A	-3.7328
84	E	A	-3.4817
85	M	A	0.0000
86	M	A	-2.5747
87	R	A	-3.3044
88	T	A	-2.4340
89	F	A	0.0000
90	H	A	-1.4215
91	K	A	-2.0823
92	F	A	0.0000
93	F	A	0.0000
94	F	A	0.9049
95	D	A	-1.0584
96	H	A	-0.2867
97	G	A	0.0000
98	L	A	1.7753
99	F	A	2.4587
100	Y	A	1.4233
101	A	A	0.1571
102	P	A	0.0000
103	S	A	-0.8376
104	D	A	-2.2096
105	Y	A	-0.6635
106	E	A	-1.6943
107	L	A	0.0000
108	E	A	-3.4054
109	E	A	-3.3859
110	A	A	0.0000
111	F	A	0.0000
112	E	A	-3.9905
113	K	A	-3.4394
114	M	A	0.0000
115	F	A	-2.1156
116	K	A	-2.4212
117	V	A	-2.1284
118	I	A	0.0000
119	E	A	-2.5091
120	E	A	-3.2981
121	F	A	0.0000
122	I	A	0.0000
123	E	A	-4.0384
124	E	A	-4.2379
125	L	A	0.0000
126	L	A	-3.1954
127	K	A	-4.0752
128	E	A	-3.9986
129	S	A	-2.9055
130	N	A	-2.6533
131	S	A	-1.8537