Project name: wtVH

Chain sequence(s)	A: QVQLQQSGPELVKPGASVRMSCKTSGYTFTDYVISWVKQRPGQGLEWIGEIFPRTGSTYYNENFKATATLTADKSSNTAYMQLSSLTSEDSAAYFCAFITSVDWAMEYWGQGTSVTVSS
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                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -3.1744
• Maximal score value: 1.0638
• Average score: -0.7175
• Total score value: -85.3847

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	-1.2875
2	V	A	-0.7526
3	Q	A	-1.0146
4	L	A	0.0000
5	Q	A	-1.7002
6	Q	A	-1.2692
7	S	A	-1.1992
8	G	A	-0.8390
9	P	A	-0.6001
10	E	A	-0.5313
11	L	A	0.6979
12	V	A	-0.4603
13	K	A	-1.8288
14	P	A	-1.7714
15	G	A	-1.0669
16	A	A	-0.7678
17	S	A	-1.0294
18	V	A	0.0000
19	R	A	-2.0583
20	M	A	0.0000
21	S	A	-0.7284
22	C	A	0.0000
23	K	A	-1.5639
24	T	A	0.0000
25	S	A	-1.0896
26	G	A	-0.8497
27	Y	A	-0.5277
28	T	A	-0.6838
29	F	A	0.0000
30	T	A	-1.7179
31	D	A	-1.4479
32	Y	A	-0.4156
33	V	A	0.0000
34	I	A	0.0000
35	S	A	0.0000
36	W	A	0.0000
37	V	A	0.0000
38	K	A	-0.2855
39	Q	A	-0.8908
40	R	A	-1.6664
41	P	A	-1.3947
42	G	A	-1.4008
43	Q	A	-1.8034
44	G	A	-0.8769
45	L	A	0.1681
46	E	A	-0.1905
47	W	A	-0.0421
48	I	A	0.0000
49	G	A	0.0000
50	E	A	0.3801
51	I	A	0.0000
52	F	A	-0.3180
53	P	A	0.0000
54	R	A	-2.3821
55	T	A	-1.1155
56	G	A	-1.0708
57	S	A	-0.4014
58	T	A	0.4675
59	Y	A	0.8674
60	Y	A	-0.3983
61	N	A	-1.4117
62	E	A	-2.7013
63	N	A	-2.4890
64	F	A	-1.7253
65	K	A	-2.2970
66	A	A	-1.2338
67	T	A	-0.7483
68	A	A	0.0000
69	T	A	-0.4426
70	L	A	0.0000
71	T	A	-0.3742
72	A	A	-1.1073
73	D	A	-1.8046
74	K	A	-2.6352
75	S	A	-1.5106
76	S	A	-1.3849
77	N	A	-1.7855
78	T	A	0.0000
79	A	A	0.0000
80	Y	A	-0.2842
81	M	A	0.0000
82	Q	A	-1.1143
83	L	A	0.0000
84	S	A	-0.5651
85	S	A	-0.5866
86	L	A	-0.8782
87	T	A	-1.2391
88	S	A	-1.9137
89	E	A	-3.1744
90	D	A	-2.8620
91	S	A	-1.4371
92	A	A	-0.8977
93	A	A	-0.5220
94	Y	A	0.0000
95	F	A	0.0386
96	C	A	0.0000
97	A	A	0.0000
98	F	A	0.0000
99	I	A	0.0000
100	T	A	-0.0695
101	S	A	0.1361
102	V	A	1.0638
103	D	A	-0.5911
104	W	A	0.3449
105	A	A	-0.0467
106	M	A	0.0437
107	E	A	-1.1100
108	Y	A	-0.2178
109	W	A	-0.0695
110	G	A	-0.7463
111	Q	A	-1.3008
112	G	A	-0.8791
113	T	A	0.0000
114	S	A	-0.5418
115	V	A	0.0000
116	T	A	-0.9043
117	V	A	0.0000
118	S	A	-1.5032
119	S	A	-1.0487