Project name: KFDV_NS4A

Chain sequence(s)	A: SVGDVLGGLAGVPGLLRHRCASALDVVYTLLNENPGSRAMRMAERDAPEAFLTIVEVAVLGVATLGILWCFVARTSVSRMFLGTVVLFAALFLLWIGGVDYGHMAGIALIFYTLLTVLQPEPGKQRSSDDNRLAYFLLGLFSLAGLVTA
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                                          (00:01:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:11)

• Minimal score value: -3.8738
• Maximal score value: 3.874
• Average score: 0.517
• Total score value: 77.0297

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	0.4381
2	V	A	1.7439
3	G	A	0.4885
4	D	A	-0.2832
5	V	A	2.1099
6	L	A	2.1443
7	G	A	0.5588
8	G	A	0.8896
9	L	A	2.0197
10	A	A	1.1346
11	G	A	0.7982
12	V	A	1.4318
13	P	A	0.8126
14	G	A	0.0979
15	L	A	0.7572
16	L	A	0.0000
17	R	A	-1.0731
18	H	A	-1.3222
19	R	A	-1.3618
20	C	A	-0.4764
21	A	A	-0.8817
22	S	A	-1.3535
23	A	A	0.0000
24	L	A	0.6808
25	D	A	-0.6769
26	V	A	-0.3137
27	V	A	0.9123
28	Y	A	1.1896
29	T	A	-0.1326
30	L	A	0.1846
31	L	A	1.0222
32	N	A	-0.8063
33	E	A	-1.8274
34	N	A	-2.2181
35	P	A	-1.7244
36	G	A	-1.8086
37	S	A	-2.0408
38	R	A	-2.5791
39	A	A	-1.7301
40	M	A	-2.4993
41	R	A	-3.2904
42	M	A	-1.8531
43	A	A	0.0000
44	E	A	-3.3713
45	R	A	-3.8738
46	D	A	-3.3841
47	A	A	-1.8263
48	P	A	-1.1095
49	E	A	-1.3543
50	A	A	0.0000
51	F	A	2.5113
52	L	A	2.4989
53	T	A	0.0000
54	I	A	2.9277
55	V	A	3.4704
56	E	A	2.4132
57	V	A	2.2981
58	A	A	2.7118
59	V	A	3.3148
60	L	A	2.6960
61	G	A	2.6681
62	V	A	3.1910
63	A	A	2.0428
64	T	A	1.8891
65	L	A	2.4672
66	G	A	2.2354
67	I	A	2.1666
68	L	A	2.1350
69	W	A	2.0843
70	C	A	1.1864
71	F	A	1.5509
72	V	A	0.0000
73	A	A	-0.1984
74	R	A	-1.3208
75	T	A	-0.3836
76	S	A	-0.5053
77	V	A	0.2324
78	S	A	-0.6818
79	R	A	-1.5502
80	M	A	0.1161
81	F	A	1.0057
82	L	A	1.0990
83	G	A	0.0000
84	T	A	1.6438
85	V	A	2.2019
86	V	A	2.8782
87	L	A	0.0000
88	F	A	3.1100
89	A	A	2.6723
90	A	A	2.7369
91	L	A	3.3205
92	F	A	3.8740
93	L	A	3.6769
94	L	A	2.7167
95	W	A	3.1640
96	I	A	3.3405
97	G	A	1.3906
98	G	A	0.6389
99	V	A	0.4049
100	D	A	-1.2403
101	Y	A	0.3284
102	G	A	-0.7357
103	H	A	-0.9165
104	M	A	0.4908
105	A	A	0.4361
106	G	A	0.7233
107	I	A	1.4276
108	A	A	1.8415
109	L	A	2.5034
110	I	A	2.3769
111	F	A	2.2300
112	Y	A	2.3310
113	T	A	1.7605
114	L	A	1.8006
115	L	A	1.1696
116	T	A	0.3493
117	V	A	0.7172
118	L	A	1.0625
119	Q	A	-0.7394
120	P	A	-2.0996
121	E	A	-3.0162
122	P	A	-2.4033
123	G	A	-2.2013
124	K	A	-3.2737
125	Q	A	-2.8000
126	R	A	-2.4288
127	S	A	-2.1873
128	S	A	-2.0909
129	D	A	-2.7896
130	D	A	-1.8770
131	N	A	-1.3918
132	R	A	-1.5232
133	L	A	0.4588
134	A	A	0.0000
135	Y	A	2.0233
136	F	A	2.6817
137	L	A	0.0000
138	L	A	2.4218
139	G	A	2.0901
140	L	A	2.5114
141	F	A	2.2355
142	S	A	1.8577
143	L	A	2.8168
144	A	A	2.0685
145	G	A	1.6409
146	L	A	2.8989
147	V	A	2.8190
148	T	A	1.3954
149	A	A	0.9910