Project name: 112b655a07bd095

Chain sequence(s)	A: MSHHHHHHSGSEEEILQELKDILYQLETVTIYLLQYRLSVETGKPIEEFNDPKDERVIEEASKYFDEEFVEFLKEGPDAFIEKNPNDIQKLIDFLIPSLEKAIELARKLAEEVEPKHPPPEGHPSFSFIVTWLEDLLNKVKEIESLNS
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                                          (00:05:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:33)

• Minimal score value: -4.1993
• Maximal score value: 1.1627
• Average score: -1.5655
• Total score value: -231.6984

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	0.5517
2	S	A	-0.6344
3	H	A	-1.7575
4	H	A	-2.3714
5	H	A	-2.7761
6	H	A	-2.8081
7	H	A	-2.3643
8	H	A	-2.1113
9	S	A	-1.5690
10	G	A	-2.1454
11	S	A	-2.5847
12	E	A	-3.8810
13	E	A	-4.1993
14	E	A	-4.0158
15	I	A	-2.9460
16	L	A	0.0000
17	Q	A	-3.6362
18	E	A	-3.2030
19	L	A	0.0000
20	K	A	-1.8487
21	D	A	-1.7904
22	I	A	0.0000
23	L	A	0.0000
24	Y	A	-0.1209
25	Q	A	-0.3280
26	L	A	0.0000
27	E	A	0.0006
28	T	A	0.0310
29	V	A	0.0000
30	T	A	0.0000
31	I	A	-0.3243
32	Y	A	-0.1988
33	L	A	0.0000
34	L	A	0.0000
35	Q	A	0.0000
36	Y	A	0.0000
37	R	A	-0.6415
38	L	A	0.0000
39	S	A	-1.5229
40	V	A	-1.2477
41	E	A	-2.0006
42	T	A	-1.4189
43	G	A	-1.4496
44	K	A	-2.2234
45	P	A	-1.8815
46	I	A	-1.7962
47	E	A	-3.2860
48	E	A	-3.1808
49	F	A	0.0000
50	N	A	-3.3102
51	D	A	-3.8192
52	P	A	-2.7989
53	K	A	-3.6084
54	D	A	-3.3806
55	E	A	-3.4246
56	R	A	-2.6136
57	V	A	0.0000
58	I	A	-2.7815
59	E	A	-2.8872
60	E	A	0.0000
61	A	A	0.0000
62	S	A	-2.5952
63	K	A	-2.2429
64	Y	A	-1.7122
65	F	A	0.0000
66	D	A	-3.0997
67	E	A	-3.5839
68	E	A	-3.2867
69	F	A	0.0000
70	V	A	0.0000
71	E	A	-3.6590
72	F	A	0.0000
73	L	A	0.0000
74	K	A	-3.1234
75	E	A	-3.0909
76	G	A	-1.9616
77	P	A	0.0000
78	D	A	-2.7338
79	A	A	-2.5175
80	F	A	0.0000
81	I	A	-2.4900
82	E	A	-3.4182
83	K	A	-3.1410
84	N	A	-2.5726
85	P	A	-2.4350
86	N	A	-3.0241
87	D	A	-2.4977
88	I	A	-2.2753
89	Q	A	-2.3096
90	K	A	-2.1772
91	L	A	0.0000
92	I	A	0.0000
93	D	A	-2.2857
94	F	A	0.0000
95	L	A	0.0000
96	I	A	-1.1354
97	P	A	-1.0680
98	S	A	0.0000
99	L	A	0.0000
100	E	A	-2.0448
101	K	A	-2.1625
102	A	A	0.0000
103	I	A	-2.1948
104	E	A	-3.0705
105	L	A	0.0000
106	A	A	0.0000
107	R	A	-3.4921
108	K	A	-3.2409
109	L	A	0.0000
110	A	A	-2.7188
111	E	A	-3.7227
112	E	A	-3.6072
113	V	A	-2.4603
114	E	A	-2.3585
115	P	A	-2.2129
116	K	A	-2.7378
117	H	A	-1.9474
118	P	A	-1.5280
119	P	A	-1.2973
120	P	A	-1.4608
121	E	A	-2.3245
122	G	A	-1.6526
123	H	A	-1.3993
124	P	A	-0.3498
125	S	A	-0.1541
126	F	A	0.0000
127	S	A	-0.0635
128	F	A	1.1627
129	I	A	0.0000
130	V	A	0.0000
131	T	A	-0.4992
132	W	A	-0.4908
133	L	A	0.0000
134	E	A	-2.4985
135	D	A	-3.0802
136	L	A	0.0000
137	L	A	0.0000
138	N	A	-3.4816
139	K	A	-3.2902
140	V	A	0.0000
141	K	A	-2.8280
142	E	A	-2.9415
143	I	A	0.0000
144	E	A	-2.1146
145	S	A	-1.1085
146	L	A	0.0066
147	N	A	-1.0925
148	S	A	-0.4998