Project name: gp63_004

Chain sequence(s)	H: QVQLVESGGGLVQPGGSLRLSCAASGYSGLDISGFSLGWFRQAPGQGLEAVAAISASGKTTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAASGRGIDPSLNPSSYQYWGQGTLVTVS
Selected Chain(s)	H
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 H 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                                          (00:01:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:21)

• Minimal score value: -3.0509
• Maximal score value: 1.7696
• Average score: -0.7272
• Total score value: -92.3531

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	H	-1.2758
2	V	H	-0.9438
3	Q	H	-1.0297
4	L	H	0.0000
5	V	H	0.6038
6	E	H	0.0000
7	S	H	-0.3221
8	G	H	-0.6287
9	G	H	0.1189
10	G	H	0.6356
11	L	H	1.3093
12	V	H	0.0000
13	Q	H	-1.5354
14	P	H	-1.9741
15	G	H	-1.7246
16	G	H	-1.2207
17	S	H	-1.6212
18	L	H	-1.1211
19	R	H	-2.3840
20	L	H	0.0000
21	S	H	-0.5819
22	C	H	0.0000
23	A	H	-0.2033
24	A	H	0.0000
25	S	H	-0.7859
26	G	H	-0.9868
27	Y	H	-0.6172
28	S	H	-0.6279
29	G	H	-0.9397
30	L	H	-1.0837
31	D	H	-1.7678
32	I	H	0.0000
33	S	H	-1.5113
34	G	H	-1.0695
35	F	H	0.0000
36	S	H	0.0000
37	L	H	0.0000
38	G	H	0.0000
39	W	H	0.0000
40	F	H	0.0000
41	R	H	0.0000
42	Q	H	-0.6450
43	A	H	-0.9697
44	P	H	-0.9215
45	G	H	-1.2985
46	Q	H	-1.8290
47	G	H	-1.2024
48	L	H	-0.5491
49	E	H	-1.0066
50	A	H	-0.5858
51	V	H	0.0000
52	A	H	0.0000
53	A	H	0.0000
54	I	H	0.0000
55	S	H	-1.1863
56	A	H	-1.1740
57	S	H	-1.0836
58	G	H	-1.3910
59	K	H	-1.8854
60	T	H	-1.1247
61	T	H	-0.3693
62	Y	H	0.2596
63	Y	H	-0.5627
64	A	H	-1.2264
65	D	H	-2.3730
66	S	H	-1.8383
67	V	H	0.0000
68	K	H	-2.5575
69	G	H	-1.8784
70	R	H	-1.6730
71	F	H	0.0000
72	T	H	-1.0826
73	I	H	0.0000
74	S	H	-0.8038
75	R	H	-1.1799
76	D	H	-1.9139
77	N	H	-2.0399
78	S	H	-1.8521
79	K	H	-2.5514
80	N	H	-2.0087
81	T	H	-1.2307
82	L	H	0.0000
83	Y	H	0.0000
84	L	H	0.0000
85	Q	H	-1.8039
86	M	H	0.0000
87	N	H	-2.1704
88	S	H	-1.6681
89	L	H	0.0000
90	R	H	-3.0509
91	A	H	-2.0991
92	E	H	-2.4690
93	D	H	0.0000
94	T	H	-0.5275
95	A	H	0.0000
96	V	H	0.8829
97	Y	H	0.0000
98	Y	H	0.3182
99	C	H	0.0000
100	A	H	0.0000
101	A	H	0.0000
102	S	H	0.0000
103	G	H	-1.3119
104	R	H	-2.0941
105	G	H	-1.4093
106	I	H	-0.8611
107	D	H	-1.6936
108	P	H	0.0000
109	S	H	-0.5003
110	L	H	-0.3734
111	N	H	-1.1966
112	P	H	-0.8475
113	S	H	-0.8498
114	S	H	-0.8424
115	Y	H	0.0000
116	Q	H	-0.9819
117	Y	H	-0.3748
118	W	H	0.0046
119	G	H	-0.1856
120	Q	H	-0.9296
121	G	H	0.0000
122	T	H	0.6156
123	L	H	1.7696
124	V	H	0.0000
125	T	H	0.2510
126	V	H	0.0000
127	S	H	-0.9310