Project name: RSVAseq52

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASGFTFSSYAMGWFRQAPGQGLEAVAISSGGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAESGYGYGDYGGYNYWGQGTLVTVSS
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)

• Minimal score value: -2.936
• Maximal score value: 1.7497
• Average score: -0.5426
• Total score value: -66.1949

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	Q	A	-1.5474
2	V	A	-0.9886
3	Q	A	-1.1047
4	L	A	0.0000
5	V	A	1.1190
6	E	A	0.3330
7	S	A	-0.2519
8	G	A	-0.9428
9	G	A	-0.0184
10	G	A	0.6585
11	L	A	1.4332
12	V	A	-0.0722
13	Q	A	-1.4499
14	P	A	-1.8442
15	G	A	-1.5762
16	G	A	-1.0591
17	S	A	-1.1761
18	L	A	-0.9272
19	R	A	-2.1850
20	L	A	0.0000
21	S	A	-0.4792
22	C	A	0.0000
23	A	A	-0.1519
24	A	A	0.0000
25	S	A	-0.9398
26	G	A	-1.0595
27	F	A	-0.4416
28	T	A	-0.3743
29	F	A	0.0000
30	S	A	-1.0390
31	S	A	-0.3342
32	Y	A	0.0000
33	A	A	-0.1855
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	0.0000
39	Q	A	-0.4312
40	A	A	-0.8488
41	P	A	-0.9596
42	G	A	-1.2228
43	Q	A	-1.6896
44	G	A	-0.9211
45	L	A	0.2134
46	E	A	-0.4734
47	A	A	0.0139
48	V	A	0.0000
49	A	A	0.0000
50	I	A	0.0000
51	S	A	0.0000
52	S	A	-0.6206
53	G	A	-0.9425
54	G	A	-0.9792
55	G	A	-0.9969
56	S	A	-0.5245
57	T	A	0.0038
58	Y	A	0.3490
59	Y	A	-0.4554
60	A	A	0.0000
61	D	A	-2.4019
62	S	A	-1.7933
63	V	A	0.0000
64	K	A	-2.5195
65	G	A	-1.7545
66	R	A	-1.5394
67	F	A	0.0000
68	T	A	-0.7639
69	I	A	0.0000
70	S	A	-0.6279
71	R	A	-1.4110
72	D	A	-2.0522
73	N	A	-2.5460
74	S	A	-2.0029
75	K	A	-2.6482
76	N	A	-2.0504
77	T	A	-1.2277
78	L	A	0.0000
79	Y	A	-0.6765
80	L	A	0.0000
81	Q	A	-1.2658
82	M	A	0.0000
83	N	A	-1.5475
84	S	A	-1.4623
85	L	A	0.0000
86	R	A	-2.9360
87	A	A	-2.0230
88	E	A	-2.4676
89	D	A	0.0000
90	T	A	-0.4878
91	A	A	0.0000
92	V	A	0.9880
93	Y	A	0.0000
94	Y	A	0.4983
95	C	A	0.0000
96	A	A	0.0000
97	A	A	0.0000
98	E	A	-0.3741
99	S	A	-0.5082
100	G	A	0.1171
101	Y	A	1.1171
102	G	A	0.4268
103	Y	A	0.7168
104	G	A	-0.5150
105	D	A	-1.2936
106	Y	A	0.1532
107	G	A	-0.7543
108	G	A	-0.7643
109	Y	A	-0.3944
110	N	A	-1.1277
111	Y	A	-0.1915
112	W	A	0.1829
113	G	A	0.0178
114	Q	A	-0.8227
115	G	A	0.1397
116	T	A	0.6280
117	L	A	1.7497
118	V	A	0.0000
119	T	A	0.3518
120	V	A	0.0000
121	S	A	-0.7457
122	S	A	-0.4948