Project name: cofilin

Chain sequence(s)	1: MASGVAVSDGVIKVFNDMKVRKSSTPEEVKKRKKAVLFCLSEDKKNIILEEGKEILVGDVGQTVDDPYATFVKMLPDKDCRYALYDATYETKESKKEDLVFIFWAPESAPLKSKMIYASSKDAIKKKLTGIKHELQANCYEEVKDRATLAEKLGGSAVISLEGKPL
Selected Chain(s)	1
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 1 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                                          (00:03:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:22)

• Minimal score value: -3.7346
• Maximal score value: 1.0403
• Average score: -1.1719
• Total score value: -194.5291

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	1	0.9478
2	A	1	-0.0745
3	S	1	-0.5788
4	G	1	-1.0170
5	V	1	0.0000
6	A	1	-0.9319
7	V	1	-0.5862
8	S	1	-1.0095
9	D	1	-2.1770
10	G	1	-1.5984
11	V	1	0.0000
12	I	1	-1.5965
13	K	1	-2.7273
14	V	1	-1.8041
15	F	1	0.0000
16	N	1	-2.2163
17	D	1	-2.4366
18	M	1	0.0000
19	K	1	-2.2581
20	V	1	-1.5657
21	R	1	-2.6846
22	K	1	-2.7653
23	S	1	-1.5475
24	S	1	-1.5299
25	T	1	-1.6050
26	P	1	-2.3524
27	E	1	-3.3932
28	E	1	-3.2740
29	V	1	0.0000
30	K	1	-3.5210
31	K	1	-3.5310
32	R	1	-2.5146
33	K	1	-1.5551
34	K	1	0.0000
35	A	1	0.0000
36	V	1	0.0000
37	L	1	0.0000
38	F	1	0.0000
39	C	1	-0.3318
40	L	1	0.0000
41	S	1	-2.2279
42	E	1	-3.3445
43	D	1	-3.7346
44	K	1	-3.1980
45	K	1	-3.2665
46	N	1	-1.9850
47	I	1	0.0000
48	I	1	0.0263
49	L	1	-0.2204
50	E	1	-1.2142
51	E	1	-2.3098
52	G	1	-1.8286
53	K	1	-1.7163
54	E	1	-1.2481
55	I	1	0.0000
56	L	1	-0.9021
57	V	1	-1.2765
58	G	1	-2.0128
59	D	1	-1.5955
60	V	1	-1.1739
61	G	1	-1.6739
62	Q	1	-1.9068
63	T	1	-1.2064
64	V	1	-1.1515
65	D	1	-2.2255
66	D	1	-1.3536
67	P	1	0.0000
68	Y	1	0.0000
69	A	1	-1.1000
70	T	1	-0.9380
71	F	1	0.0000
72	V	1	0.0000
73	K	1	-1.9663
74	M	1	-1.2071
75	L	1	0.0000
76	P	1	-2.0239
77	D	1	-3.4576
78	K	1	-3.5618
79	D	1	-2.8060
80	C	1	0.0000
81	R	1	-0.6679
82	Y	1	0.0000
83	A	1	0.0000
84	L	1	0.0000
85	Y	1	0.0000
86	D	1	0.0000
87	A	1	0.0000
88	T	1	-1.6666
89	Y	1	0.0000
90	E	1	-2.4168
91	T	1	-2.1220
92	K	1	-2.8469
93	E	1	-3.2530
94	S	1	-2.9268
95	K	1	-3.4212
96	K	1	-3.1243
97	E	1	-2.9728
98	D	1	-1.7254
99	L	1	-0.9809
100	V	1	0.0000
101	F	1	0.0000
102	I	1	0.0000
103	F	1	0.0000
104	W	1	0.0000
105	A	1	0.0000
106	P	1	0.0000
107	E	1	-2.5349
108	S	1	-2.1023
109	A	1	0.0000
110	P	1	-0.6769
111	L	1	0.6386
112	K	1	-0.5744
113	S	1	-0.4389
114	K	1	-0.0896
115	M	1	1.0403
116	I	1	0.8589
117	Y	1	0.0000
118	A	1	0.3555
119	S	1	0.5051
120	S	1	0.0000
121	K	1	-0.7905
122	D	1	-1.7483
123	A	1	0.0000
124	I	1	0.0000
125	K	1	-2.0930
126	K	1	-2.7365
127	K	1	-1.9571
128	L	1	0.0000
129	T	1	-1.3365
130	G	1	-1.3789
131	I	1	-1.4754
132	K	1	-1.8713
133	H	1	-1.3347
134	E	1	-1.2225
135	L	1	0.0000
136	Q	1	-1.3585
137	A	1	0.0000
138	N	1	-1.8711
139	C	1	-1.9327
140	Y	1	-2.3198
141	E	1	-3.0808
142	E	1	-3.3055
143	V	1	0.0000
144	K	1	-2.9245
145	D	1	-2.3195
146	R	1	-1.2833
147	A	1	-1.1254
148	T	1	-1.7010
149	L	1	0.0000
150	A	1	0.0000
151	E	1	-2.3561
152	K	1	-2.1374
153	L	1	0.0000
154	G	1	-1.2802
155	G	1	-1.5246
156	S	1	-0.8101
157	A	1	-0.9313
158	V	1	0.0000
159	I	1	-0.0175
160	S	1	0.0000
161	L	1	0.0000
162	E	1	-0.9389
163	G	1	-0.8168
164	K	1	-0.4088
165	P	1	0.2067
166	L	1	0.8382