Project name: SAP4

Chain sequence(s)	A: MFGFFILTIFCITGFVTSINQPELEFGYKDVACNLLELAQEKSLQIMKEEQFIGNMVEYLVSITCDNVKDLNKRLQCKTSMATEARILVQYFIEFIESYRLKTMLNWCQSTLERPQYGNSSFLCSTCEMAVAYLKTFSKSEEAKAIVHQAVDKICSLTGSFEVQCSFLGGMFIDKYIDTISTMDPDSACMTMHMCS
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                                          (00:02:39)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:02:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:41)

• Minimal score value: -3.3298
• Maximal score value: 1.8437
• Average score: -0.752
• Total score value: -147.3875

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	0.1176
2	F	A	0.0000
3	G	A	0.0000
4	F	A	0.0000
5	F	A	0.0000
6	I	A	0.0000
7	L	A	0.0000
8	T	A	0.0000
9	I	A	0.0000
10	F	A	0.8441
11	C	A	0.0000
12	I	A	0.5196
13	T	A	0.5102
14	G	A	0.3091
15	F	A	0.7300
16	V	A	0.3838
17	T	A	-0.1969
18	S	A	-0.2749
19	I	A	-0.4599
20	N	A	-1.7336
21	Q	A	-2.1486
22	P	A	-1.9829
23	E	A	-2.3939
24	L	A	-1.0533
25	E	A	-1.3749
26	F	A	0.5443
27	G	A	-0.0717
28	Y	A	-0.0776
29	K	A	-0.7862
30	D	A	-1.5517
31	V	A	-0.1633
32	A	A	0.0000
33	C	A	0.0000
34	N	A	-1.0399
35	L	A	-0.2206
36	L	A	0.0000
37	E	A	-1.0284
38	L	A	-0.8289
39	A	A	0.0000
40	Q	A	0.0000
41	E	A	-2.4273
42	K	A	-1.6982
43	S	A	0.0000
44	L	A	-2.0576
45	Q	A	-2.4271
46	I	A	-1.6168
47	M	A	0.0000
48	K	A	-3.0330
49	E	A	-3.2233
50	E	A	-3.3298
51	Q	A	-2.8234
52	F	A	-2.1114
53	I	A	-2.0604
54	G	A	-2.2755
55	N	A	-2.3283
56	M	A	0.0000
57	V	A	0.0000
58	E	A	-2.1070
59	Y	A	-0.6993
60	L	A	0.0000
61	V	A	0.0000
62	S	A	-0.5580
63	I	A	0.6138
64	T	A	-0.1862
65	C	A	0.0000
66	D	A	-1.6670
67	N	A	-2.1706
68	V	A	-2.1545
69	K	A	-2.7212
70	D	A	-2.1759
71	L	A	-0.5516
72	N	A	-1.8935
73	K	A	-2.7114
74	R	A	-2.1685
75	L	A	-0.5418
76	Q	A	-1.7503
77	C	A	-1.2091
78	K	A	-1.4792
79	T	A	-0.9035
80	S	A	-0.8674
81	M	A	-0.9250
82	A	A	-1.1924
83	T	A	-0.9014
84	E	A	-1.5660
85	A	A	0.0000
86	R	A	-0.8220
87	I	A	0.7991
88	L	A	0.1814
89	V	A	0.0000
90	Q	A	-0.4281
91	Y	A	0.4536
92	F	A	0.0000
93	I	A	0.0000
94	E	A	-2.2141
95	F	A	0.0000
96	I	A	0.0000
97	E	A	-2.3805
98	S	A	-1.2680
99	Y	A	-0.4537
100	R	A	-1.4783
101	L	A	0.0000
102	K	A	-1.6076
103	T	A	-0.8434
104	M	A	-0.3623
105	L	A	0.0000
106	N	A	-1.5396
107	W	A	-1.1129
108	C	A	0.0000
109	Q	A	-1.8309
110	S	A	-1.2497
111	T	A	-0.7749
112	L	A	-0.4689
113	E	A	-2.2915
114	R	A	-2.4988
115	P	A	-2.0094
116	Q	A	-1.9434
117	Y	A	-0.2258
118	G	A	-0.7417
119	N	A	-0.9995
120	S	A	-0.4113
121	S	A	-0.1211
122	F	A	0.6408
123	L	A	0.4698
124	C	A	-0.1557
125	S	A	-0.1878
126	T	A	0.2881
127	C	A	0.0000
128	E	A	-1.0123
129	M	A	0.0839
130	A	A	0.1806
131	V	A	0.0000
132	A	A	-0.3139
133	Y	A	0.5655
134	L	A	0.0000
135	K	A	-1.1105
136	T	A	-0.5687
137	F	A	-0.8964
138	S	A	0.0000
139	K	A	-2.7635
140	S	A	-2.4383
141	E	A	-3.0011
142	E	A	-2.6140
143	A	A	0.0000
144	K	A	-1.7290
145	A	A	-0.9030
146	I	A	0.2111
147	V	A	0.0000
148	H	A	-1.1980
149	Q	A	-1.8073
150	A	A	-1.3281
151	V	A	0.0000
152	D	A	-2.1897
153	K	A	-2.6660
154	I	A	0.0000
155	C	A	0.0000
156	S	A	-0.6682
157	L	A	0.6106
158	T	A	0.1717
159	G	A	-0.1525
160	S	A	-0.1800
161	F	A	0.2440
162	E	A	-0.4039
163	V	A	1.2957
164	Q	A	0.9909
165	C	A	0.0000
166	S	A	0.1247
167	F	A	1.8437
168	L	A	0.0000
169	G	A	0.0000
170	G	A	-0.3278
171	M	A	0.0000
172	F	A	0.0000
173	I	A	0.0000
174	D	A	-1.9201
175	K	A	-1.6981
176	Y	A	0.0000
177	I	A	0.0000
178	D	A	-2.5749
179	T	A	-1.4285
180	I	A	0.0000
181	S	A	-1.4243
182	T	A	-0.9039
183	M	A	-1.2092
184	D	A	-2.2058
185	P	A	-1.6214
186	D	A	-1.8646
187	S	A	-1.2714
188	A	A	0.0000
189	C	A	0.0000
190	M	A	-0.3622
191	T	A	-0.3499
192	M	A	0.0000
193	H	A	-0.8472
194	M	A	0.0000
195	C	A	-0.3975
196	S	A	-0.4430