Project name: 4612f8b9bc53729

Chain sequence(s)	A: MSHHHHHHSGMDLFEELLKVAEELAEWAKSNLPIKTKEEAEKLAEFIVRMIKIIADYLGYKGEIVVKAYYEPDENGTVHPLGKEIAELIEELGKKEFGKDTKGEKYYVEVFVMIEKDGIAFELYFQIGEDQWLIVHVRITEESVTLTIVKDGEMKTKVIPIKNS
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                                          (00:03:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:59)

• Minimal score value: -3.8969
• Maximal score value: 0.7633
• Average score: -1.287
• Total score value: -211.0602

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	0.5501
2	S	A	-0.6303
3	H	A	-1.7438
4	H	A	-2.3620
5	H	A	-2.7642
6	H	A	-2.8016
7	H	A	-2.5760
8	H	A	-2.2412
9	S	A	-1.3590
10	G	A	-1.1743
11	M	A	-0.8029
12	D	A	-1.5463
13	L	A	0.0000
14	F	A	-1.3869
15	E	A	-2.2105
16	E	A	-1.7927
17	L	A	0.0000
18	L	A	-1.9605
19	K	A	-2.6998
20	V	A	0.0000
21	A	A	0.0000
22	E	A	-3.0857
23	E	A	-2.8544
24	L	A	0.0000
25	A	A	0.0000
26	E	A	-3.2371
27	W	A	-1.6278
28	A	A	0.0000
29	K	A	-2.5379
30	S	A	-1.2277
31	N	A	-1.4270
32	L	A	-1.4255
33	P	A	-1.7935
34	I	A	0.0000
35	K	A	-2.3598
36	T	A	-2.4067
37	K	A	-3.1533
38	E	A	-3.3497
39	E	A	0.0000
40	A	A	0.0000
41	E	A	-3.1220
42	K	A	-2.6159
43	L	A	0.0000
44	A	A	0.0000
45	E	A	-2.4562
46	F	A	-1.5145
47	I	A	0.0000
48	V	A	0.0000
49	R	A	-1.5630
50	M	A	0.0000
51	I	A	0.0000
52	K	A	-1.2917
53	I	A	-0.8059
54	I	A	0.0000
55	A	A	0.0000
56	D	A	-1.6023
57	Y	A	-0.1139
58	L	A	-0.0596
59	G	A	-0.7100
60	Y	A	-1.3135
61	K	A	-2.6279
62	G	A	-2.8364
63	E	A	-2.4557
64	I	A	-1.1122
65	V	A	-0.0734
66	V	A	0.0000
67	K	A	-1.1554
68	A	A	0.0000
69	Y	A	-0.5024
70	Y	A	-0.7715
71	E	A	-1.6057
72	P	A	-1.3464
73	D	A	-2.1021
74	E	A	-2.9587
75	N	A	-2.2971
76	G	A	-1.6286
77	T	A	-0.8309
78	V	A	0.7633
79	H	A	-0.4962
80	P	A	-0.5157
81	L	A	-1.3114
82	G	A	0.0000
83	K	A	-2.4060
84	E	A	-2.6711
85	I	A	0.0000
86	A	A	0.0000
87	E	A	-3.3667
88	L	A	0.0000
89	I	A	0.0000
90	E	A	-3.3674
91	E	A	-3.8264
92	L	A	-3.1741
93	G	A	0.0000
94	K	A	-3.8969
95	K	A	-3.7777
96	E	A	-3.0747
97	F	A	0.0000
98	G	A	-2.7745
99	K	A	-3.3778
100	D	A	-3.3886
101	T	A	-2.4869
102	K	A	-3.0164
103	G	A	-3.0282
104	E	A	-3.0943
105	K	A	-2.0065
106	Y	A	-0.3606
107	Y	A	0.6087
108	V	A	0.0000
109	E	A	-0.2050
110	V	A	0.0000
111	F	A	0.1925
112	V	A	0.0000
113	M	A	-0.5271
114	I	A	0.0000
115	E	A	-2.3756
116	K	A	-2.8847
117	D	A	-3.3805
118	G	A	0.0000
119	I	A	0.0000
120	A	A	0.0000
121	F	A	0.0000
122	E	A	-0.1768
123	L	A	0.0000
124	Y	A	0.3959
125	F	A	0.0000
126	Q	A	-0.8944
127	I	A	-0.6876
128	G	A	-1.5894
129	E	A	-2.9017
130	D	A	-2.9539
131	Q	A	-2.4010
132	W	A	-0.9189
133	L	A	0.0000
134	I	A	0.3276
135	V	A	0.0000
136	H	A	-0.3336
137	V	A	0.0000
138	R	A	-1.0718
139	I	A	0.0000
140	T	A	-2.6045
141	E	A	-3.6635
142	E	A	-3.4620
143	S	A	-2.2165
144	V	A	0.0000
145	T	A	-0.6095
146	L	A	0.0000
147	T	A	-0.1523
148	I	A	0.0000
149	V	A	-0.3433
150	K	A	-1.5879
151	D	A	-2.5060
152	G	A	-2.0104
153	E	A	-2.3027
154	M	A	-0.4816
155	K	A	-0.8509
156	T	A	-0.3204
157	K	A	-0.5541
158	V	A	0.2354
159	I	A	0.0000
160	P	A	-1.8787
161	I	A	0.0000
162	K	A	-3.3797
163	N	A	-3.1183
164	S	A	-1.3603