Project name: 1063

Chain sequence(s)	H: DVQLQESGGGSVQAGGSLRLSCAASGNPYSHYWLGWFRQTPGKEREGVAVIYTGDGDGTTYYTDSVKGRFTVSQDNGKNTLYLQMNNLKPEDTAMYYCALRGNDGSWFSPLQPGHYTYWGQGTQVTVSS
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]                                                (00:00:00)
[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 H 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                                          (00:01:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -2.8951
• Maximal score value: 1.0917
• Average score: -0.9645
• Total score value: -124.4141

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	D	H	-2.3782
2	V	H	0.0000
3	Q	H	-2.0526
4	L	H	-1.3915
5	Q	H	-1.6641
6	E	H	0.0000
7	S	H	-0.9976
8	G	H	-0.9471
9	G	H	-0.8682
11	G	H	-0.6785
12	S	H	-0.5827
13	V	H	-0.7520
14	Q	H	-1.7635
15	A	H	-1.9072
16	G	H	-1.8688
17	G	H	-1.4141
18	S	H	-1.3348
19	L	H	-0.8637
20	R	H	-1.4343
21	L	H	0.0000
22	S	H	-0.6866
23	C	H	0.0000
24	A	H	-0.9638
25	A	H	0.0000
26	S	H	-1.7549
27	G	H	-1.8122
28	N	H	-1.8639
29	P	H	-1.3634
30	Y	H	-0.3704
35	S	H	-1.0154
36	H	H	-1.6176
37	Y	H	0.0000
38	W	H	0.0000
39	L	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	F	H	0.0000
43	R	H	0.0000
44	Q	H	-1.7061
45	T	H	-1.5300
46	P	H	-1.1127
47	G	H	-1.4754
48	K	H	-2.2638
49	E	H	-2.8951
50	R	H	-2.1872
51	E	H	-1.5734
52	G	H	-0.7398
53	V	H	0.0000
54	A	H	0.0000
55	V	H	0.0000
56	I	H	0.0000
57	Y	H	-0.4706
58	T	H	-1.3432
59	G	H	-2.2184
60	D	H	-2.7822
61	G	H	-2.3443
62	D	H	-2.5648
63	G	H	-1.4417
64	T	H	-0.4368
65	T	H	0.2596
66	Y	H	0.6357
67	Y	H	-0.3867
68	T	H	-1.2137
69	D	H	-2.4053
70	S	H	-1.8852
71	V	H	0.0000
72	K	H	-2.5096
74	G	H	-1.8884
75	R	H	-2.0277
76	F	H	0.0000
77	T	H	-0.6407
78	V	H	0.0000
79	S	H	-0.5395
80	Q	H	-1.4262
81	D	H	-2.0547
82	N	H	-2.5641
83	G	H	-2.1790
84	K	H	-2.7343
85	N	H	-2.0689
86	T	H	-1.4505
87	L	H	0.0000
88	Y	H	-0.4231
89	L	H	0.0000
90	Q	H	-0.9497
91	M	H	0.0000
92	N	H	-1.7525
93	N	H	-2.3121
94	L	H	0.0000
95	K	H	-2.6992
96	P	H	-1.9120
97	E	H	-2.3527
98	D	H	0.0000
99	T	H	-1.0942
100	A	H	0.0000
101	M	H	-0.4583
102	Y	H	0.0000
103	Y	H	-0.4377
104	C	H	0.0000
105	A	H	0.0000
106	L	H	0.0000
107	R	H	0.0000
108	G	H	-1.5384
109	N	H	-2.2149
110	D	H	-2.4026
111	G	H	-0.8473
111A	S	H	-0.0554
111B	W	H	0.9827
111C	F	H	1.0917
112D	S	H	0.4151
112C	P	H	0.0000
112B	L	H	-0.1966
112A	Q	H	-1.4690
112	P	H	-1.2634
113	G	H	-1.2119
114	H	H	-1.7120
115	Y	H	0.0000
116	T	H	-0.6956
117	Y	H	-0.3343
118	W	H	-0.1696
119	G	H	-0.9306
120	Q	H	-1.3698
121	G	H	-0.8892
122	T	H	-0.8500
123	Q	H	-0.8440
124	V	H	0.0000
125	T	H	-0.8652
126	V	H	0.0000
127	S	H	-1.2133
128	S	H	-0.9272