Project name: FMN21

Chain sequence(s)	A: MLTPEERAAGRARGRVGFLIIGDGDGAGTLAQRFVAEVRGETGDPLAYVERIKERLRELAAANPERREEILSYLEPIFTLIGDPDLPPEVRAIYEEVLAEAGLELHTFEELTPENLVRLLRERGGFVTSVIDPEKAAKLRELIEELLARRDELPEGVVVLEGEAPGGLAGVEDLLGKVDEAMYAGKDVIGIVVG
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                                          (00:03:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:08)

• Minimal score value: -4.631
• Maximal score value: 0.7614
• Average score: -1.2611
• Total score value: -244.6484

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	0.6351
2	L	A	0.0000
3	T	A	-0.8084
4	P	A	-1.3789
5	E	A	-2.3507
6	E	A	-1.5598
7	R	A	-1.5397
8	A	A	-1.4678
9	A	A	-1.1110
10	G	A	0.0000
11	R	A	-1.9085
12	A	A	-1.4446
13	R	A	-2.1456
14	G	A	0.0000
15	R	A	-1.8729
16	V	A	0.0000
17	G	A	0.0000
18	F	A	0.0000
19	L	A	0.0000
20	I	A	0.0000
21	I	A	0.0000
22	G	A	-0.5738
23	D	A	-1.5247
24	G	A	-1.5515
25	D	A	-2.3607
26	G	A	-1.1935
27	A	A	0.0000
28	G	A	-0.6497
29	T	A	-0.4968
30	L	A	-0.5421
31	A	A	0.0000
32	Q	A	0.0000
33	R	A	-2.1204
34	F	A	0.0000
35	V	A	0.0000
36	A	A	0.0000
37	E	A	-3.0669
38	V	A	0.0000
39	R	A	-2.4518
40	G	A	-2.2705
41	E	A	-3.2032
42	T	A	-1.9911
43	G	A	-1.7664
44	D	A	-2.0835
45	P	A	-1.6907
46	L	A	-0.9665
47	A	A	-1.2936
48	Y	A	0.0000
49	V	A	-1.4786
50	E	A	-3.3405
51	R	A	-3.8379
52	I	A	0.0000
53	K	A	-3.6751
54	E	A	-4.6310
55	R	A	-3.7009
56	L	A	0.0000
57	R	A	-3.8421
58	E	A	-3.4602
59	L	A	-2.1620
60	A	A	0.0000
61	A	A	-1.6332
62	A	A	-1.2256
63	N	A	-1.9872
64	P	A	-2.1167
65	E	A	-2.9758
66	R	A	-2.8038
67	R	A	-3.2182
68	E	A	-3.0177
69	E	A	-2.2648
70	I	A	0.0000
71	L	A	-1.7030
72	S	A	-1.1521
73	Y	A	-0.7811
74	L	A	-1.4418
75	E	A	-1.4733
76	P	A	-0.3401
77	I	A	0.7614
78	F	A	0.0000
79	T	A	0.0564
80	L	A	0.0000
81	I	A	0.0000
82	G	A	0.0000
83	D	A	-1.5390
84	P	A	-1.7619
85	D	A	-2.2714
86	L	A	0.0000
87	P	A	-1.2216
88	P	A	-1.1409
89	E	A	-1.3299
90	V	A	0.0000
91	R	A	-1.8474
92	A	A	-1.5910
93	I	A	0.0000
94	Y	A	0.0000
95	E	A	-2.8920
96	E	A	-3.0648
97	V	A	0.0000
98	L	A	0.0000
99	A	A	-2.0034
100	E	A	-2.5112
101	A	A	-1.5202
102	G	A	-1.0562
103	L	A	0.0000
104	E	A	-1.0821
105	L	A	-0.9858
106	H	A	-1.1673
107	T	A	-1.5392
108	F	A	-1.7531
109	E	A	-2.7060
110	E	A	-2.6595
111	L	A	0.0000
112	T	A	-1.6083
113	P	A	0.0000
114	E	A	-2.1558
115	N	A	-1.7133
116	L	A	0.0000
117	V	A	0.0000
118	R	A	-2.2197
119	L	A	0.0000
120	L	A	0.0000
121	R	A	-3.2023
122	E	A	-3.0789
123	R	A	-2.1307
124	G	A	-1.8019
125	G	A	0.0000
126	F	A	0.0000
127	V	A	0.0000
128	T	A	0.0000
129	S	A	0.1019
130	V	A	0.0000
131	I	A	0.6257
132	D	A	-0.9790
133	P	A	-1.2885
134	E	A	-2.3767
135	K	A	-1.7938
136	A	A	-1.3039
137	A	A	-1.8685
138	K	A	-2.6688
139	L	A	0.0000
140	R	A	-3.0648
141	E	A	-3.5707
142	L	A	0.0000
143	I	A	0.0000
144	E	A	-3.5287
145	E	A	-2.9257
146	L	A	0.0000
147	L	A	-2.0292
148	A	A	-1.8560
149	R	A	-2.6218
150	R	A	-2.9429
151	D	A	-3.4637
152	E	A	-3.5588
153	L	A	-2.4268
154	P	A	-1.9210
155	E	A	-2.3515
156	G	A	-1.1462
157	V	A	-1.1297
158	V	A	-0.3772
159	V	A	0.0000
160	L	A	-0.7044
161	E	A	-1.6672
162	G	A	-2.1669
163	E	A	-2.5821
164	A	A	-1.7056
165	P	A	-0.8390
166	G	A	-1.1625
167	G	A	0.0000
168	L	A	-1.0788
169	A	A	-1.3540
170	G	A	0.0000
171	V	A	0.0000
172	E	A	-2.5489
173	D	A	-2.8238
174	L	A	0.0000
175	L	A	-1.3506
176	G	A	-1.6485
177	K	A	-2.0223
178	V	A	0.0000
179	D	A	0.0000
180	E	A	-1.7250
181	A	A	-1.0842
182	M	A	0.0000
183	Y	A	-0.5838
184	A	A	-0.5150
185	G	A	-1.1604
186	K	A	-1.4412
187	D	A	-1.3450
188	V	A	0.0000
189	I	A	0.0000
190	G	A	0.0000
191	I	A	0.0000
192	V	A	0.0000
193	V	A	-0.3544
194	G	A	-0.5686