Project name: KFDV_NS2B

Chain sequence(s)	A: SFSEPLTVVGVMLTVASGMVRHTSQEALCALVAGAFLLLMMVLGTRKMQLTAEWCGEVEWNPDLVNEGGEVNLKVRQDAMGNLHLTEVEKEERAMALWLLAGLVASAFHWAGILIVLAVWTLFEMLGSGRR
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                                          (00:01:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:44)

• Minimal score value: -4.2252
• Maximal score value: 3.431
• Average score: 0.3917
• Total score value: 51.3083

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	S	A	0.4786
2	F	A	1.7040
3	S	A	0.4006
4	E	A	0.1618
5	P	A	0.9261
6	L	A	2.1529
7	T	A	2.0457
8	V	A	2.8741
9	V	A	3.3448
10	G	A	2.7144
11	V	A	3.3035
12	M	A	3.4310
13	L	A	3.2252
14	T	A	2.2726
15	V	A	2.7184
16	A	A	1.8887
17	S	A	0.8983
18	G	A	0.4378
19	M	A	0.5335
20	V	A	-0.0180
21	R	A	-1.8230
22	H	A	-1.6586
23	T	A	-1.2005
24	S	A	-1.5902
25	Q	A	-1.8979
26	E	A	-1.9279
27	A	A	-0.4347
28	L	A	0.1197
29	C	A	0.3839
30	A	A	0.8096
31	L	A	1.7344
32	V	A	2.6628
33	A	A	2.0330
34	G	A	1.7423
35	A	A	2.4733
36	F	A	3.1613
37	L	A	2.7450
38	L	A	3.3540
39	L	A	3.2411
40	M	A	2.4636
41	M	A	2.0905
42	V	A	1.4766
43	L	A	0.8129
44	G	A	-0.1402
45	T	A	-0.8033
46	R	A	-2.1010
47	K	A	-2.0468
48	M	A	-0.5188
49	Q	A	-1.0703
50	L	A	0.4121
51	T	A	0.0628
52	A	A	-0.1542
53	E	A	-0.8825
54	W	A	0.4811
55	C	A	0.3955
56	G	A	-0.6292
57	E	A	-1.2438
58	V	A	0.3066
59	E	A	-1.1929
60	W	A	0.2829
61	N	A	-0.4881
62	P	A	-0.6526
63	D	A	-1.3875
64	L	A	-0.0314
65	V	A	0.4484
66	N	A	-1.6625
67	E	A	-2.3039
68	G	A	-1.3953
69	G	A	-1.6732
70	E	A	-1.8522
71	V	A	0.2767
72	N	A	-0.6004
73	L	A	0.2672
74	K	A	-0.9966
75	V	A	-0.3599
76	R	A	-1.8925
77	Q	A	-1.8366
78	D	A	-1.5026
79	A	A	-0.4410
80	M	A	0.2582
81	G	A	-0.9538
82	N	A	-1.2283
83	L	A	-0.1123
84	H	A	-0.9145
85	L	A	-0.3663
86	T	A	-1.6531
87	E	A	-2.8127
88	V	A	-2.2670
89	E	A	-3.2026
90	K	A	-4.2252
91	E	A	-4.1135
92	E	A	-3.8058
93	R	A	-3.1458
94	A	A	-1.4251
95	M	A	-0.4264
96	A	A	0.1576
97	L	A	1.8331
98	W	A	2.2072
99	L	A	2.4831
100	L	A	3.3405
101	A	A	2.4552
102	G	A	0.0000
103	L	A	3.3953
104	V	A	2.6733
105	A	A	2.4294
106	S	A	2.2593
107	A	A	1.6987
108	F	A	2.1689
109	H	A	0.8387
110	W	A	1.7851
111	A	A	1.6244
112	G	A	2.2195
113	I	A	2.7746
114	L	A	3.0671
115	I	A	3.4111
116	V	A	2.6647
117	L	A	2.4346
118	A	A	2.1653
119	V	A	2.4596
120	W	A	2.1100
121	T	A	1.3851
122	L	A	2.1219
123	F	A	2.1516
124	E	A	0.0063
125	M	A	1.0432
126	L	A	0.8706
127	G	A	-0.7928
128	S	A	-1.3750
129	G	A	-1.8579
130	R	A	-2.8692
131	R	A	-2.9768