Project name: 1F41_Monomer

Chain sequence(s)	A: CPLMVKVLDAVRGSPAINVAVHVFRRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEEIDDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSSTTTAVVTNP
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:21)

• Minimal score value: -3.2544
• Maximal score value: 2.0637
• Average score: -0.5314
• Total score value: -61.6426

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
10	C	A	-0.3014
11	P	A	0.0000
12	L	A	0.0000
13	M	A	-0.3385
14	V	A	0.0000
15	K	A	-0.5919
16	V	A	0.0000
17	L	A	0.5065
18	D	A	0.0000
19	A	A	0.6865
20	V	A	1.2102
21	R	A	-0.4670
22	G	A	-0.3832
23	S	A	-0.4007
24	P	A	-0.6325
25	A	A	0.0000
26	I	A	-0.7758
27	N	A	-1.8803
28	V	A	0.0000
29	A	A	-1.2348
30	V	A	0.0000
31	H	A	-0.9090
32	V	A	0.0000
33	F	A	-0.2781
34	R	A	-0.7304
35	K	A	-1.4752
36	A	A	-1.6687
37	A	A	-1.6716
38	D	A	-2.8217
39	D	A	-2.8568
40	T	A	-1.8491
41	W	A	-1.1408
42	E	A	-1.8754
43	P	A	-0.8759
44	F	A	-0.5148
45	A	A	-0.3335
46	S	A	-0.7507
47	G	A	-1.4456
48	K	A	-2.4080
49	T	A	0.0000
50	S	A	-1.8193
51	E	A	-2.1364
52	S	A	-1.2067
53	G	A	0.0000
54	E	A	-1.4103
55	L	A	0.0000
56	H	A	-1.3785
57	G	A	-0.7847
58	L	A	0.0000
59	T	A	0.0000
60	T	A	-1.8251
61	E	A	-3.1185
62	E	A	-3.2544
63	E	A	-2.8055
64	F	A	0.0000
65	V	A	-1.4829
66	E	A	-2.1358
67	G	A	-0.8118
68	I	A	0.4582
69	Y	A	0.0000
70	K	A	0.2679
71	V	A	0.0000
72	E	A	-0.9720
73	I	A	0.0000
74	D	A	-1.8202
75	T	A	0.0000
76	K	A	-1.8940
77	S	A	-1.5647
78	Y	A	0.0000
79	W	A	0.0000
80	K	A	-1.5980
81	A	A	-0.4937
82	L	A	0.3193
83	G	A	-0.3802
84	I	A	-0.0558
85	S	A	-0.0864
86	P	A	0.2533
87	F	A	1.6358
88	H	A	-0.4817
89	E	A	-2.2460
90	H	A	-1.7227
91	A	A	0.0000
92	E	A	-1.1113
93	V	A	0.3836
94	V	A	1.7278
95	F	A	1.2457
96	T	A	-0.0713
97	A	A	0.0000
98	N	A	0.0000
99	D	A	-2.4322
100	S	A	-1.5716
101	G	A	-1.4610
102	P	A	-2.1857
103	R	A	-1.8339
104	R	A	-1.2665
105	Y	A	0.0000
106	T	A	0.4540
107	I	A	0.0000
108	A	A	0.2205
109	A	A	0.0000
110	L	A	0.9371
111	L	A	0.0000
112	S	A	1.1187
113	P	A	1.0827
114	Y	A	1.8643
115	S	A	0.9933
116	Y	A	0.8532
117	S	A	0.1964
118	T	A	-0.0412
119	T	A	0.4782
120	A	A	1.2105
121	V	A	2.0637
122	V	A	1.3333
123	T	A	-0.2447
124	N	A	-1.6789
125	P	A	-1.1483