Project name: gp63_004

Chain sequence(s)	H: QVQLVESGGGLVQPGGSLRLSCAASGPSGFDFSTYSLGWFRQAPGQGLEAVAAIDPDGKTTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAADPSSSAGLVEPSDYEYWGQGTLVTVS
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                                          (00:02:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:18)

• Minimal score value: -2.6615
• Maximal score value: 1.651
• Average score: -0.6941
• Total score value: -88.1479

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	-1.2713
2	V	H	-0.8823
3	Q	H	-1.0141
4	L	H	0.0000
5	V	H	1.2038
6	E	H	0.0000
7	S	H	-0.1642
8	G	H	-0.6250
9	G	H	0.1460
10	G	H	0.6890
11	L	H	1.3157
12	V	H	0.0000
13	Q	H	-1.4776
14	P	H	-1.8432
15	G	H	-1.6467
16	G	H	-1.1997
17	S	H	-1.4218
18	L	H	-1.1078
19	R	H	-2.3638
20	L	H	0.0000
21	S	H	-0.4468
22	C	H	0.0000
23	A	H	-0.1590
24	A	H	-0.3767
25	S	H	-0.7348
26	G	H	-0.7668
27	P	H	-0.6935
28	S	H	-0.5045
29	G	H	-0.4226
30	F	H	-0.0065
31	D	H	-1.0281
32	F	H	0.0000
33	S	H	-1.2995
34	T	H	-0.6750
35	Y	H	-0.4015
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	-0.6441
43	A	H	-0.9543
44	P	H	-0.9108
45	G	H	-1.3017
46	Q	H	-1.8249
47	G	H	-1.2190
48	L	H	-0.6758
49	E	H	-0.9747
50	A	H	-0.3324
51	V	H	0.0000
52	A	H	0.0000
53	A	H	0.0000
54	I	H	0.0000
55	D	H	-1.1825
56	P	H	-1.5379
57	D	H	-2.6615
58	G	H	-2.1653
59	K	H	-2.4272
60	T	H	-1.1585
61	T	H	-0.0258
62	Y	H	0.6087
63	Y	H	-0.3501
64	A	H	-1.1335
65	D	H	-2.3636
66	S	H	-1.7139
67	V	H	0.0000
68	K	H	-2.4742
69	G	H	-1.8131
70	R	H	-1.7444
71	F	H	0.0000
72	T	H	-0.9995
73	I	H	0.0000
74	S	H	-0.8956
75	R	H	0.0000
76	D	H	-2.0198
77	N	H	-2.1962
78	S	H	-1.6996
79	K	H	-2.4977
80	N	H	-2.0790
81	T	H	-1.0969
82	L	H	0.0000
83	Y	H	0.0000
84	L	H	0.0000
85	Q	H	-1.7568
86	M	H	0.0000
87	N	H	-2.1649
88	S	H	-1.5918
89	L	H	0.0000
90	R	H	-2.6463
91	A	H	-1.8704
92	E	H	-2.3219
93	D	H	0.0000
94	T	H	-0.4674
95	A	H	0.0000
96	V	H	0.8425
97	Y	H	0.0000
98	Y	H	0.4054
99	C	H	0.0000
100	A	H	0.0000
101	A	H	0.0000
102	D	H	0.0000
103	P	H	-0.8812
104	S	H	-0.8332
105	S	H	-0.5681
106	S	H	-0.3808
107	A	H	0.0968
108	G	H	0.2275
109	L	H	0.3125
110	V	H	-0.7855
111	E	H	-2.1434
112	P	H	-1.6063
113	S	H	-1.8604
114	D	H	-2.5524
115	Y	H	0.0000
116	E	H	-2.0331
117	Y	H	-0.9934
118	W	H	-0.1010
119	G	H	-0.0075
120	Q	H	-0.6247
121	G	H	0.0000
122	T	H	0.7072
123	L	H	1.6510
124	V	H	0.0000
125	T	H	0.3088
126	V	H	0.0000
127	S	H	-0.8660