Project name: 97d5121030ee03b

Chain sequence(s)	A: MSHHHHHHSGNRKKRHGEFFKWFAEFVMSRDVSPKTKKELSQVMQELAELFTSGKFTVDKYMELFAKMSSLTPQFVEEAKGEPNWTEKMMKLVKRTIRSMYDAIYIMNRKEAYEAMIVFMVQMVKSEDLPNLFKEAMRNDSEIDDLHYHIHWNMPRKTDHKMMNRAEEKAEKEGLSPEKVIQAVRLFEWMNS
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                                          (00:06:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:48)

• Minimal score value: -4.8699
• Maximal score value: 2.6228
• Average score: -1.3519
• Total score value: -259.5708

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	0.2808
2	S	A	-1.0584
3	H	A	-2.2166
4	H	A	-2.6337
5	H	A	-2.7810
6	H	A	-3.1429
7	H	A	-3.1954
8	H	A	-2.9977
9	S	A	-2.4999
10	G	A	-2.6605
11	N	A	-3.2541
12	R	A	-2.6230
13	K	A	-2.6551
14	K	A	-3.7082
15	R	A	-3.6081
16	H	A	0.0000
17	G	A	0.0000
18	E	A	-3.3388
19	F	A	-2.0767
20	F	A	0.0000
21	K	A	-2.5368
22	W	A	-1.3745
23	F	A	0.0000
24	A	A	-1.7317
25	E	A	-1.7201
26	F	A	-0.7045
27	V	A	0.0000
28	M	A	-0.7003
29	S	A	-0.7665
30	R	A	-1.2507
31	D	A	-2.1380
32	V	A	-1.9400
33	S	A	-1.5998
34	P	A	-1.9517
35	K	A	-2.7639
36	T	A	-2.1082
37	K	A	-2.2400
38	K	A	-3.1411
39	E	A	-2.8747
40	L	A	0.0000
41	S	A	0.0000
42	Q	A	-2.3324
43	V	A	0.0000
44	M	A	0.0000
45	Q	A	-2.5121
46	E	A	-2.5904
47	L	A	0.0000
48	A	A	0.0000
49	E	A	-3.0625
50	L	A	0.0000
51	F	A	0.0000
52	T	A	-2.2169
53	S	A	-1.4438
54	G	A	-1.8053
55	K	A	-2.2221
56	F	A	-1.3355
57	T	A	-1.0276
58	V	A	-1.1172
59	D	A	-2.4860
60	K	A	-2.5295
61	Y	A	0.0000
62	M	A	-1.8391
63	E	A	-2.7811
64	L	A	0.0000
65	F	A	0.0000
66	A	A	-1.1146
67	K	A	-1.7256
68	M	A	0.0000
69	S	A	0.0000
70	S	A	-0.5507
71	L	A	-0.6048
72	T	A	0.0000
73	P	A	0.0000
74	Q	A	-1.8080
75	F	A	0.0000
76	V	A	0.0000
77	E	A	-2.8426
78	E	A	-2.1990
79	A	A	0.0000
80	K	A	-2.4317
81	G	A	-1.8725
82	E	A	-1.6471
83	P	A	-1.3458
84	N	A	-1.9638
85	W	A	-1.6034
86	T	A	-1.4651
87	E	A	-1.9977
88	K	A	-1.7832
89	M	A	0.0000
90	M	A	-1.7166
91	K	A	-2.5278
92	L	A	0.0000
93	V	A	0.0000
94	K	A	-2.1576
95	R	A	-2.1423
96	T	A	0.0000
97	I	A	0.0000
98	R	A	-1.3565
99	S	A	0.0000
100	M	A	0.0000
101	Y	A	0.0000
102	D	A	0.0000
103	A	A	0.0000
104	I	A	-0.1659
105	Y	A	-0.5358
106	I	A	-0.4447
107	M	A	0.0000
108	N	A	-2.4220
109	R	A	-3.0047
110	K	A	-2.8272
111	E	A	-1.9437
112	A	A	0.0000
113	Y	A	0.0172
114	E	A	-0.7621
115	A	A	0.0000
116	M	A	1.2530
117	I	A	2.1663
118	V	A	1.6236
119	F	A	0.0000
120	M	A	2.0700
121	V	A	2.6228
122	Q	A	1.1889
123	M	A	0.0000
124	V	A	0.9072
125	K	A	-1.1386
126	S	A	0.0000
127	E	A	-2.5072
128	D	A	-2.0484
129	L	A	0.0000
130	P	A	-1.3693
131	N	A	-2.3456
132	L	A	0.0000
133	F	A	0.0000
134	K	A	-2.9242
135	E	A	-3.4822
136	A	A	0.0000
137	M	A	-2.4190
138	R	A	-3.3141
139	N	A	-3.1566
140	D	A	-2.5429
141	S	A	-2.3053
142	E	A	-2.8216
143	I	A	0.0000
144	D	A	-2.4027
145	D	A	-2.3710
146	L	A	-1.3297
147	H	A	-1.1901
148	Y	A	-0.9315
149	H	A	-0.9548
150	I	A	-0.5201
151	H	A	-0.9818
152	W	A	-0.6988
153	N	A	-1.3095
154	M	A	-1.2423
155	P	A	-2.0630
156	R	A	-3.3814
157	K	A	-3.2430
158	T	A	-2.2630
159	D	A	-2.5364
160	H	A	-2.9106
161	K	A	-3.2792
162	M	A	-2.2800
163	M	A	0.0000
164	N	A	-2.9066
165	R	A	-3.8828
166	A	A	-2.6690
167	E	A	-3.4886
168	E	A	-4.7687
169	K	A	-4.8699
170	A	A	0.0000
171	E	A	-4.7661
172	K	A	-4.6108
173	E	A	-4.0250
174	G	A	-2.7016
175	L	A	-2.1173
176	S	A	-1.6083
177	P	A	-1.6877
178	E	A	-2.2905
179	K	A	-2.2969
180	V	A	0.0000
181	I	A	-0.4629
182	Q	A	-0.8460
183	A	A	-0.4184
184	V	A	0.0000
185	R	A	0.1531
186	L	A	1.2147
187	F	A	0.9908
188	E	A	0.0000
189	W	A	0.7291
190	M	A	0.9595
191	N	A	-0.5082
192	S	A	-0.3020