Project name: 1A5R_Valen

Chain sequence(s)	A: GSMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLRFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTV
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]                                                (00:00:00)
[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 A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:44)
[INFO]       Movie:    Creting movie with webm format                                              (00:04:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:26)

• Minimal score value: -4.6836
• Maximal score value: 1.3883
• Average score: -1.6967
• Total score value: -174.7599

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	G	A	-0.8533
0	S	A	-1.1754
1	M	A	-0.2016
2	S	A	-1.5461
3	D	A	-2.8581
4	Q	A	-3.0770
5	E	A	-3.0112
6	A	A	-1.9517
7	K	A	-2.7046
8	P	A	-1.9638
9	S	A	-1.5314
10	T	A	-1.5495
11	E	A	-2.7723
12	D	A	-2.6042
13	L	A	-0.7353
14	G	A	-1.9695
15	D	A	-3.4412
16	K	A	-3.9590
17	K	A	-4.6836
18	E	A	-3.9092
19	G	A	-3.0553
20	E	A	-2.9559
21	Y	A	-2.0326
22	I	A	0.0000
23	K	A	-2.8349
24	L	A	0.0000
25	K	A	-1.1764
26	V	A	0.0000
27	I	A	-0.8954
28	G	A	0.0000
29	Q	A	-2.6047
30	D	A	-3.0765
31	S	A	-1.8575
32	S	A	-1.6748
33	E	A	-1.9612
34	I	A	-0.3384
35	H	A	-0.7655
36	F	A	0.3935
37	K	A	-1.6079
38	V	A	-1.2573
39	K	A	-1.9587
40	M	A	-1.3945
41	T	A	-0.9056
42	T	A	-1.2759
43	H	A	-2.5161
44	L	A	0.0000
45	K	A	-2.7510
46	K	A	-2.3225
47	L	A	0.0000
48	K	A	-1.8679
49	E	A	-2.5969
50	S	A	-2.0875
51	Y	A	-1.7576
52	C	A	0.0000
53	Q	A	-2.6458
54	R	A	-3.1219
55	Q	A	-2.5844
56	G	A	-1.9276
57	V	A	-0.9258
58	P	A	-0.9894
59	M	A	0.3301
60	N	A	-1.3592
61	S	A	-1.7578
62	L	A	0.0000
63	R	A	-1.8916
64	F	A	0.0000
65	L	A	-1.6898
66	F	A	0.0000
67	E	A	-2.7403
68	G	A	-2.1972
69	Q	A	-2.7447
70	R	A	-2.9046
71	I	A	-1.9107
72	A	A	-1.4491
73	D	A	-2.4070
74	N	A	-2.5370
75	H	A	-2.4206
76	T	A	-1.9238
77	P	A	-1.7262
78	K	A	-2.7709
79	E	A	-2.0282
80	L	A	0.0000
81	G	A	-1.6629
82	M	A	-1.5223
83	E	A	-3.7676
84	E	A	-3.9728
85	E	A	-3.0344
86	D	A	0.0000
87	V	A	-0.4419
88	I	A	0.0000
89	E	A	-1.5745
90	V	A	0.0000
91	Y	A	-1.6898
92	Q	A	-2.6411
93	E	A	-3.3622
94	Q	A	-2.8039
95	T	A	-1.8781
96	G	A	-1.4793
97	G	A	-1.1296
98	H	A	-1.1708
99	S	A	-0.3843
100	T	A	0.3238
101	V	A	1.3883