Project name: 754edcd8da5a562

Chain sequence(s)	A: MSHHHHHHSGKVIPNMLPILEQLKEALKEIEEIAKKIKSGELKESEESMAELFYLRSVIRYAVGQIRKRFEAKEFPEEMYTEEVKEQLELLEEYSEKLYKTTTLEEFAKVIIPFSEHIEKILEVIEKLIKAVEEIIKEQENS
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:03)

• Minimal score value: -4.6765
• Maximal score value: 1.0675
• Average score: -1.8154
• Total score value: -257.7843

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	0.5475
2	S	A	-0.6247
3	H	A	-1.7561
4	H	A	-2.3640
5	H	A	-2.7783
6	H	A	-2.8068
7	H	A	-2.5196
8	H	A	-2.6031
9	S	A	-2.0672
10	G	A	-1.8310
11	K	A	-1.7344
12	V	A	-0.6266
13	I	A	0.1031
14	P	A	-0.4815
15	N	A	-1.0494
16	M	A	0.0000
17	L	A	-0.9802
18	P	A	-1.3836
19	I	A	0.0000
20	L	A	0.0000
21	E	A	-2.8690
22	Q	A	-2.2613
23	L	A	0.0000
24	K	A	-2.8609
25	E	A	-3.2281
26	A	A	0.0000
27	L	A	0.0000
28	K	A	-2.9595
29	E	A	-3.1989
30	I	A	0.0000
31	E	A	-3.1775
32	E	A	-3.4849
33	I	A	0.0000
34	A	A	0.0000
35	K	A	-3.6900
36	K	A	-3.3801
37	I	A	-2.8206
38	K	A	-2.9686
39	S	A	-2.3787
40	G	A	-2.5295
41	E	A	-3.3256
42	L	A	-2.6565
43	K	A	-3.4424
44	E	A	-3.6410
45	S	A	-2.9145
46	E	A	-3.4013
47	E	A	-3.3704
48	S	A	-2.3291
49	M	A	-1.6033
50	A	A	-1.0318
51	E	A	-1.4583
52	L	A	0.0000
53	F	A	1.0675
54	Y	A	0.9173
55	L	A	0.0000
56	R	A	-0.2316
57	S	A	0.2995
58	V	A	0.1059
59	I	A	0.0000
60	R	A	-1.1125
61	Y	A	0.4738
62	A	A	0.0000
63	V	A	0.0000
64	G	A	-1.1275
65	Q	A	-1.3135
66	I	A	0.0000
67	R	A	-3.3779
68	K	A	-3.4452
69	R	A	-2.7058
70	F	A	-2.6341
71	E	A	-3.3535
72	A	A	-2.4741
73	K	A	-3.2268
74	E	A	-2.3630
75	F	A	0.0000
76	P	A	-2.1077
77	E	A	-2.9482
78	E	A	-2.7211
79	M	A	-2.2518
80	Y	A	-2.1235
81	T	A	-2.4837
82	E	A	-3.4298
83	E	A	-3.9350
84	V	A	0.0000
85	K	A	-3.4042
86	E	A	-3.9289
87	Q	A	-3.2271
88	L	A	0.0000
89	E	A	-3.4437
90	L	A	-2.1146
91	L	A	0.0000
92	E	A	-2.9364
93	E	A	-3.0302
94	Y	A	0.0000
95	S	A	0.0000
96	E	A	-3.2566
97	K	A	-2.7677
98	L	A	0.0000
99	Y	A	-1.2346
100	K	A	-2.1247
101	T	A	0.0000
102	T	A	-0.5663
103	T	A	-1.2424
104	L	A	-1.8438
105	E	A	-2.7414
106	E	A	-2.5104
107	F	A	0.0000
108	A	A	-1.6519
109	K	A	-2.3415
110	V	A	0.0000
111	I	A	0.0000
112	I	A	-1.1412
113	P	A	-0.8880
114	F	A	0.0000
115	S	A	-2.1503
116	E	A	-2.6489
117	H	A	-2.2746
118	I	A	0.0000
119	E	A	-3.6914
120	K	A	-3.8233
121	I	A	0.0000
122	L	A	-2.7836
123	E	A	-3.4569
124	V	A	0.0000
125	I	A	0.0000
126	E	A	-2.9971
127	K	A	-2.8895
128	L	A	0.0000
129	I	A	-2.4155
130	K	A	-2.9204
131	A	A	0.0000
132	V	A	0.0000
133	E	A	-3.0384
134	E	A	-3.8560
135	I	A	-3.0585
136	I	A	-3.0495
137	K	A	-4.5410
138	E	A	-4.6765
139	Q	A	-4.3230
140	E	A	-4.2535
141	N	A	-3.6044
142	S	A	-2.4964