Project name: 22-2.pdb

Chain sequence(s)	H: QVQLVESGGGLVQPGGSLRLSCAASGSISSHNDMSWYRQAPGNQLELVSFIASGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCNSRTYDGEKTYWGQGTTVTVSS
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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -3.0411
• Maximal score value: 1.2007
• Average score: -0.6958
• Total score value: -81.4103

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	-1.6386
2	V	H	-1.1920
3	Q	H	-1.0742
4	L	H	0.0000
5	V	H	1.2007
6	E	H	0.0000
7	S	H	-0.2405
8	G	H	-0.7980
9	G	H	-0.2396
11	G	H	0.3635
12	L	H	1.1891
13	V	H	-0.0252
14	Q	H	-1.3692
15	P	H	-1.6268
16	G	H	-1.4454
17	G	H	-0.9718
18	S	H	-0.8320
19	L	H	-0.4259
20	R	H	-1.1603
21	L	H	0.0000
22	S	H	-0.0954
23	C	H	0.0000
24	A	H	0.0176
25	A	H	-0.3341
26	S	H	-0.6038
27	G	H	-0.7786
28	S	H	-0.8345
29	I	H	0.0000
30	S	H	-1.3461
35	S	H	-1.1564
36	H	H	-1.3333
37	N	H	-0.9916
38	D	H	-0.8089
39	M	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	Y	H	0.5246
43	R	H	0.0000
44	Q	H	-0.8911
45	A	H	-1.2665
46	P	H	-1.0274
47	G	H	-1.4501
48	N	H	-2.2107
49	Q	H	-1.8438
50	L	H	-0.4322
51	E	H	-0.6393
52	L	H	0.5305
53	V	H	0.0000
54	S	H	0.0000
55	F	H	0.6467
56	I	H	0.0000
57	A	H	-0.6130
58	S	H	-1.2484
59	G	H	-0.9749
63	G	H	-0.5641
64	S	H	-0.1810
65	T	H	0.4701
66	Y	H	1.0855
67	Y	H	0.0442
68	A	H	-0.8276
69	D	H	-2.2646
70	S	H	-1.7521
71	V	H	0.0000
72	K	H	-2.3427
74	G	H	-1.6763
75	R	H	-1.4460
76	F	H	0.0000
77	T	H	-0.4986
78	I	H	0.0000
79	S	H	-0.4341
80	R	H	-1.1771
81	D	H	-1.8380
82	N	H	-2.3862
83	S	H	-1.8832
84	K	H	-2.4941
85	N	H	-1.9030
86	T	H	-1.0358
87	L	H	0.0000
88	Y	H	-0.2944
89	L	H	0.0000
90	Q	H	-0.7681
91	M	H	0.0000
92	N	H	-1.1853
93	S	H	-1.2254
94	L	H	0.0000
95	R	H	-2.2375
96	A	H	-1.6756
97	E	H	-2.2275
98	D	H	0.0000
99	T	H	-0.6410
100	A	H	0.0000
101	V	H	0.2542
102	Y	H	0.0000
103	Y	H	0.5226
104	C	H	0.0000
105	N	H	0.0000
106	S	H	0.0000
107	R	H	-1.6860
108	T	H	-1.5140
109	Y	H	-1.1687
110	D	H	-2.1745
113	G	H	-2.3451
114	E	H	-3.0411
115	K	H	-2.9512
116	T	H	-1.4506
117	Y	H	-0.8296
118	W	H	0.1047
119	G	H	-0.0098
120	Q	H	-0.7704
121	G	H	-0.1352
122	T	H	-0.1030
123	T	H	0.0119
124	V	H	0.0000
125	T	H	0.0140
126	V	H	0.0000
127	S	H	-0.7606
128	S	H	-0.5715