Project name: SIV

Chain sequence(s)	A: MSDPRERIPPGNSGEETIGEAFEWLNRTVEEINREAVNHLPRELIFQVWQRSWEYWHDEQGMSPSYVKYRYLCLIQKALFMHCKKGCRCLGEGHGAGGWRPGPPPPPPPGLA
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -3.9726
• Maximal score value: 1.2057
• Average score: -1.1535
• Total score value: -129.1874

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	M	A	0.7752
2	S	A	-1.0612
3	D	A	-2.1441
4	P	A	-2.1880
5	R	A	-3.2526
6	E	A	-3.2738
7	R	A	-2.4550
8	I	A	-0.1517
9	P	A	-0.8120
10	P	A	-0.7345
11	G	A	-1.2455
12	N	A	-1.4759
13	S	A	-0.8569
14	G	A	-1.9807
15	E	A	-2.5627
16	E	A	-2.7592
17	T	A	-1.6899
18	I	A	0.1067
19	G	A	-1.0719
20	E	A	-1.8808
21	A	A	-0.2229
22	F	A	0.6417
23	E	A	-1.4677
24	W	A	-0.1693
25	L	A	0.0000
26	N	A	-1.8004
27	R	A	-2.8569
28	T	A	-1.9385
29	V	A	-1.9414
30	E	A	-3.7642
31	E	A	-3.9726
32	I	A	-2.5634
33	N	A	-2.8790
34	R	A	-3.4497
35	E	A	-2.7366
36	A	A	0.0000
37	V	A	-1.4081
38	N	A	-1.6140
39	H	A	-1.1107
40	L	A	0.0000
41	P	A	-1.0430
42	R	A	-1.9554
43	E	A	-1.1632
44	L	A	-0.1952
45	I	A	0.0000
46	F	A	-0.5395
47	Q	A	-1.4742
48	V	A	0.0000
49	W	A	-0.6929
50	Q	A	-1.6514
51	R	A	-2.5631
52	S	A	0.0000
53	W	A	-1.8825
54	E	A	-2.8491
55	Y	A	-1.7383
56	W	A	-1.5354
57	H	A	-2.1543
58	D	A	-3.4513
59	E	A	-3.2045
60	Q	A	-2.3577
61	G	A	-1.8657
62	M	A	-0.6504
63	S	A	-0.3218
64	P	A	-0.3082
65	S	A	0.1939
66	Y	A	0.5913
67	V	A	0.0000
68	K	A	0.3373
69	Y	A	1.0404
70	R	A	0.1760
71	Y	A	0.0000
72	L	A	0.0149
73	C	A	0.0422
74	L	A	0.3374
75	I	A	0.0000
76	Q	A	-0.9904
77	K	A	-1.0539
78	A	A	-0.3598
79	L	A	0.0000
80	F	A	0.5627
81	M	A	-0.4044
82	H	A	-0.8181
83	C	A	-0.7120
84	K	A	-1.7528
85	K	A	-2.3351
86	G	A	-1.7453
87	C	A	-1.0501
88	R	A	-2.2543
89	C	A	-1.2164
90	L	A	0.0387
91	G	A	-1.3467
92	E	A	-2.6078
93	G	A	-2.1386
94	H	A	-2.3429
95	G	A	-1.4563
96	A	A	-1.3295
97	G	A	-1.2333
98	G	A	-0.9311
99	W	A	-0.1036
100	R	A	-1.7938
101	P	A	-1.4155
102	G	A	-1.2037
103	P	A	-0.9672
104	P	A	-1.0486
105	P	A	-1.0074
106	P	A	-0.6935
107	P	A	-0.2895
108	P	A	-0.0454
109	P	A	-0.1934
110	G	A	0.1036
111	L	A	1.2057
112	A	A	0.5742