Project name: 22-5.pdb

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

• Minimal score value: -2.7639
• Maximal score value: 1.1879
• Average score: -0.6511
• Total score value: -76.1832

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	-1.5376
2	V	H	-0.9590
3	Q	H	-1.1808
4	L	H	0.0000
5	V	H	0.6703
6	E	H	0.0000
7	S	H	-0.4626
8	G	H	-1.0218
9	G	H	-0.3740
11	G	H	0.2823
12	L	H	1.1879
13	V	H	-0.0164
14	Q	H	-1.3541
15	P	H	-1.4125
16	G	H	-1.4223
17	G	H	-0.9539
18	S	H	-0.9853
19	L	H	-0.7913
20	R	H	-1.9306
21	L	H	0.0000
22	S	H	-0.3862
23	C	H	0.0000
24	A	H	-0.1602
25	A	H	-0.4597
26	S	H	-0.6864
27	G	H	-0.7835
28	S	H	-0.8065
29	I	H	0.0000
30	S	H	-1.2114
35	S	H	-1.1141
36	H	H	-1.3657
37	N	H	-1.0430
38	D	H	-0.9492
39	M	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	Y	H	0.6032
43	R	H	0.0000
44	Q	H	-0.6660
45	A	H	0.0000
46	P	H	-0.8517
47	G	H	-1.2027
48	K	H	-1.6287
49	Q	H	-1.4934
50	L	H	-0.1327
51	E	H	-0.3177
52	L	H	0.5210
53	V	H	0.0000
54	S	H	0.0000
55	F	H	0.6807
56	I	H	0.0000
57	A	H	-0.6964
58	S	H	-1.2674
59	G	H	-1.0382
63	G	H	-0.6324
64	S	H	-0.2625
65	T	H	0.4190
66	Y	H	1.0599
67	Y	H	-0.0184
68	A	H	-0.8410
69	D	H	-2.2829
70	S	H	-1.7138
71	V	H	0.0000
72	K	H	-2.3632
74	G	H	-1.6867
75	R	H	-1.5790
76	F	H	0.0000
77	T	H	-0.6375
78	I	H	0.0000
79	S	H	-0.4112
80	R	H	-0.9333
81	D	H	-1.3213
82	H	H	-1.5769
83	A	H	-1.2657
84	K	H	-2.1086
85	N	H	-1.5281
86	T	H	-0.8492
87	L	H	0.0000
88	Y	H	-0.4986
89	L	H	0.0000
90	Q	H	-1.2034
91	M	H	0.0000
92	N	H	-1.3159
93	S	H	-1.2021
94	L	H	0.0000
95	R	H	-2.1744
96	A	H	-1.6368
97	E	H	-2.1679
98	D	H	0.0000
99	T	H	-0.6341
100	A	H	0.0000
101	V	H	0.2725
102	Y	H	0.0000
103	Y	H	0.4945
104	C	H	0.0000
105	N	H	0.0000
106	S	H	0.0000
107	R	H	-1.3769
108	T	H	-1.2886
109	Y	H	-0.9933
110	D	H	-2.1775
113	G	H	-2.2082
114	E	H	-2.7639
115	K	H	-2.3730
116	T	H	-1.0234
117	Y	H	-0.5817
118	W	H	0.1935
119	G	H	-0.1658
120	Q	H	-0.8695
121	G	H	0.0000
122	T	H	-0.1439
123	T	H	0.0287
124	V	H	0.0000
125	T	H	0.0216
126	V	H	0.0000
127	S	H	-0.5725
128	S	H	-0.5722