Project name: fc6f71622783b21

Chain sequence(s)	A: MSHHHHHHSGFPEKPLYIYPYDAAYNLEFYLKYALVENEKDSEYYYNQLKKILPLYPLSPEELEKELKTVLERLKDPSRRYYGIKKFVELMTLALSKAYLYKKEGNYEKAKEYLEVAEKYLKEVEELIPKIEEIDPWDAKYLKSYIERLKELLEKVKENS
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                                          (00:07:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:09)

• Minimal score value: -3.9809
• Maximal score value: 2.2765
• Average score: -1.1148
• Total score value: -178.3639

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	0.5646
2	S	A	-0.6092
3	H	A	-1.7426
4	H	A	-2.3263
5	H	A	-2.7399
6	H	A	-2.7316
7	H	A	-2.5530
8	H	A	-1.8401
9	S	A	-0.8510
10	G	A	-0.4711
11	F	A	0.5553
12	P	A	-0.7037
13	E	A	-2.1688
14	K	A	-1.9478
15	P	A	-0.2390
16	L	A	1.4800
17	Y	A	2.2765
18	I	A	1.8516
19	Y	A	1.6085
20	P	A	1.0944
21	Y	A	1.3337
22	D	A	-0.2607
23	A	A	0.0000
24	A	A	0.0000
25	Y	A	0.7017
26	N	A	0.3347
27	L	A	0.0000
28	E	A	0.0000
29	F	A	1.3266
30	Y	A	0.8293
31	L	A	0.0000
32	K	A	0.1666
33	Y	A	0.1029
34	A	A	0.0000
35	L	A	0.0000
36	V	A	-1.2699
37	E	A	-2.8730
38	N	A	-3.0035
39	E	A	-2.9109
40	K	A	-3.2095
41	D	A	-2.5083
42	S	A	-2.2003
43	E	A	-2.4763
44	Y	A	-0.9010
45	Y	A	-0.5431
46	Y	A	-1.0456
47	N	A	-1.4297
48	Q	A	-1.1686
49	L	A	0.0000
50	K	A	-1.5528
51	K	A	-2.0437
52	I	A	0.0000
53	L	A	0.0000
54	P	A	-0.1726
55	L	A	1.0517
56	Y	A	0.8401
57	P	A	0.1086
58	L	A	-0.5192
59	S	A	-1.4411
60	P	A	0.0000
61	E	A	-3.3174
62	E	A	-3.1646
63	L	A	0.0000
64	E	A	-3.5179
65	K	A	-3.9809
66	E	A	-3.1711
67	L	A	0.0000
68	K	A	-3.5916
69	T	A	-2.5888
70	V	A	0.0000
71	L	A	0.0000
72	E	A	-3.5491
73	R	A	-2.9701
74	L	A	0.0000
75	K	A	-3.4570
76	D	A	-2.7746
77	P	A	-1.3714
78	S	A	-1.2417
79	R	A	-1.7899
80	R	A	0.0000
81	Y	A	-0.0538
82	Y	A	0.0430
83	G	A	0.0000
84	I	A	0.0000
85	K	A	-0.8738
86	K	A	-1.0738
87	F	A	0.0000
88	V	A	-0.4360
89	E	A	-0.7454
90	L	A	0.0000
91	M	A	0.0000
92	T	A	0.0000
93	L	A	0.0000
94	A	A	0.0000
95	L	A	0.0000
96	S	A	0.0000
97	K	A	0.0000
98	A	A	0.0000
99	Y	A	0.0000
100	L	A	0.0000
101	Y	A	-1.5071
102	K	A	-2.0668
103	K	A	-2.2065
104	E	A	-2.5722
105	G	A	-2.0458
106	N	A	-2.0677
107	Y	A	-1.7848
108	E	A	-2.8510
109	K	A	-2.4270
110	A	A	0.0000
111	K	A	-3.5332
112	E	A	-3.4060
113	Y	A	0.0000
114	L	A	0.0000
115	E	A	-3.0855
116	V	A	0.0000
117	A	A	0.0000
118	E	A	-2.7917
119	K	A	-3.4312
120	Y	A	0.0000
121	L	A	0.0000
122	K	A	-3.8633
123	E	A	-3.6450
124	V	A	0.0000
125	E	A	-2.9481
126	E	A	-3.2830
127	L	A	-2.4776
128	I	A	0.0000
129	P	A	-2.0822
130	K	A	-2.7383
131	I	A	0.0000
132	E	A	-2.1721
133	E	A	-2.1075
134	I	A	0.1685
135	D	A	-0.8208
136	P	A	-0.9634
137	W	A	0.3279
138	D	A	0.0000
139	A	A	0.0000
140	K	A	-1.7150
141	Y	A	-0.4068
142	L	A	0.0000
143	K	A	-1.8878
144	S	A	-1.4240
145	Y	A	-1.3754
146	I	A	0.0000
147	E	A	-2.9640
148	R	A	-2.2449
149	L	A	0.0000
150	K	A	-3.1021
151	E	A	-3.3753
152	L	A	0.0000
153	L	A	0.0000
154	E	A	-3.8386
155	K	A	-3.2572
156	V	A	0.0000
157	K	A	-3.2792
158	E	A	-3.3525
159	N	A	-2.4497
160	S	A	-1.4570