Project name: Gentax_100_ED

Chain sequence(s)	A: EQEKLLEEVVSLHEEEQEMEAFEELLLELEKLEKLELSVRSGCSSRWRPSRRRIRACSRKSWCRYARRTLSSRQRSRSCRKLSVSVLQAELQVKELELQE
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                                          (00:02:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:35)

• Minimal score value: -4.6266
• Maximal score value: 0.4495
• Average score: -1.9182
• Total score value: -191.8173

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	E	A	-2.9402
2	Q	A	-2.7724
3	E	A	-3.4877
4	K	A	-3.4139
5	L	A	-0.9638
6	L	A	-0.1908
7	E	A	-1.9244
8	E	A	-1.6817
9	V	A	0.2909
10	V	A	0.4495
11	S	A	-1.1937
12	L	A	-1.4414
13	H	A	-2.7729
14	E	A	-4.0271
15	E	A	-4.2238
16	E	A	-4.1852
17	Q	A	-4.6266
18	E	A	-4.4198
19	M	A	-3.1038
20	E	A	-3.9459
21	A	A	-2.3991
22	F	A	-1.3952
23	E	A	-2.5632
24	E	A	-2.6213
25	L	A	-1.5766
26	L	A	-0.8834
27	L	A	-1.0479
28	E	A	-2.1476
29	L	A	-2.1246
30	E	A	-2.8600
31	K	A	-2.8698
32	L	A	-2.3563
33	E	A	-3.1078
34	K	A	-3.0480
35	L	A	-1.4951
36	E	A	-1.6703
37	L	A	-0.7106
38	S	A	-0.8662
39	V	A	0.0000
40	R	A	-2.1135
41	S	A	-1.1110
42	G	A	-1.0547
43	C	A	0.0000
44	S	A	-1.5754
45	S	A	-1.7599
46	R	A	-2.0540
47	W	A	-0.6492
48	R	A	-2.3408
49	P	A	-2.6031
50	S	A	-2.8808
51	R	A	-3.7891
52	R	A	-4.0109
53	R	A	-3.9073
54	I	A	-2.6777
55	R	A	-3.7100
56	A	A	-2.9189
57	C	A	0.0000
58	S	A	-2.5647
59	R	A	-3.1275
60	K	A	-2.4161
61	S	A	-1.4323
62	W	A	-1.0272
63	C	A	0.0000
64	R	A	-2.5017
65	Y	A	-1.1311
66	A	A	0.0000
67	R	A	-2.5959
68	R	A	-2.4877
69	T	A	-1.4219
70	L	A	-1.5242
71	S	A	-1.8288
72	S	A	-2.0873
73	R	A	-2.9079
74	Q	A	-2.8289
75	R	A	-3.1785
76	S	A	-2.5373
77	R	A	-3.2320
78	S	A	-1.6635
79	C	A	0.0000
80	R	A	-1.8578
81	K	A	-2.5130
82	L	A	0.0000
83	S	A	0.0000
84	V	A	-0.8857
85	S	A	-0.8545
86	V	A	0.0000
87	L	A	0.0000
88	Q	A	-1.4624
89	A	A	-0.7914
90	E	A	-0.5194
91	L	A	-1.6418
92	Q	A	-0.9967
93	V	A	0.3004
94	K	A	-1.2791
95	E	A	-1.8603
96	L	A	-0.7531
97	E	A	-2.1767
98	L	A	-1.3621
99	Q	A	-2.4026
100	E	A	-2.7926