Project name: Design51_1_7

Chain sequence(s)	F: VEEEAYVVVLKSGGKTAAASYRVTSSGEVEEVASAAGDQAEVEAVLATFASLPPSAITLTTVEVPEDISLEKMLELAKGRAKNYIKAKNY
Selected Chain(s)	F
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with F chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)

• Minimal score value: -2.4438
• Maximal score value: 1.4567
• Average score: -0.472
• Total score value: -42.4836

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	V	F	1.4567
2	E	F	-1.8155
3	E	F	-2.4438
4	E	F	-2.1402
5	A	F	0.0000
6	Y	F	0.0000
7	V	F	0.0000
8	V	F	0.0000
9	V	F	0.0000
10	L	F	0.0000
11	K	F	-1.1507
12	S	F	0.0000
13	G	F	-0.5449
14	G	F	-0.7390
15	K	F	-1.1800
16	T	F	0.0000
17	A	F	0.0000
18	A	F	0.0000
19	A	F	0.0000
20	S	F	0.0000
21	Y	F	0.0000
22	R	F	-0.5419
23	V	F	0.1255
24	T	F	-0.0228
25	S	F	-0.2536
26	S	F	-0.3383
27	G	F	-0.8225
28	E	F	-1.8227
29	V	F	-0.1003
30	E	F	-1.4492
31	E	F	-1.9543
32	V	F	0.1531
33	A	F	0.0779
34	S	F	-0.0985
35	A	F	-0.0091
36	A	F	0.0076
37	G	F	-0.3890
38	D	F	-2.0126
39	Q	F	-1.5033
40	A	F	-0.4834
41	E	F	-1.8093
42	V	F	0.0000
43	E	F	-1.8108
44	A	F	-0.2779
45	V	F	0.0000
46	L	F	0.4292
47	A	F	0.1298
48	T	F	-0.0436
49	F	F	0.0000
50	A	F	0.0204
51	S	F	-0.1655
52	L	F	0.1309
53	P	F	-0.2472
54	P	F	-0.3351
55	S	F	-0.2584
56	A	F	0.0000
57	I	F	0.3503
58	T	F	0.2494
59	L	F	1.1951
60	T	F	0.1887
61	T	F	0.0151
62	V	F	0.0876
63	E	F	-1.8080
64	V	F	-0.1841
65	P	F	-0.5418
66	E	F	-2.1894
67	D	F	-2.0747
68	I	F	-0.0757
69	S	F	-0.0579
70	L	F	-0.0683
71	E	F	-2.0070
72	K	F	-1.5937
73	M	F	0.0000
74	L	F	0.0091
75	E	F	-1.7130
76	L	F	-0.1067
77	A	F	0.0000
78	K	F	-0.5823
79	G	F	-0.4573
80	R	F	-1.0483
81	A	F	0.0000
82	K	F	-1.1216
83	N	F	-1.2952
84	Y	F	0.1743
85	I	F	0.0000
86	K	F	-1.0097
87	A	F	-0.4324
88	K	F	-1.9095
89	N	F	-1.3387
90	Y	F	1.0944