Project name: WH22

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

• Minimal score value: -2.8023
• Maximal score value: 1.2163
• Average score: -0.6877
• Total score value: -80.4585

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	-1.5615
2	V	H	-1.1092
3	Q	H	-1.0629
4	L	H	0.0000
5	V	H	1.2163
6	E	H	0.0000
7	S	H	-0.2818
8	G	H	-0.9073
9	G	H	-0.3122
11	G	H	0.3276
12	L	H	1.1923
13	V	H	-0.0156
14	Q	H	-1.3597
15	P	H	-1.4276
16	G	H	-1.4417
17	G	H	-0.9689
18	S	H	-0.9277
19	L	H	-0.6279
20	R	H	-1.5364
21	L	H	0.0000
22	S	H	-0.1696
23	C	H	0.0000
24	A	H	0.0335
25	A	H	-0.3486
26	S	H	-0.6079
27	G	H	-0.7900
28	S	H	-0.8576
29	I	H	0.0000
30	S	H	-1.3898
35	S	H	-1.2048
36	H	H	-1.3979
37	N	H	-1.0889
38	D	H	-0.9507
39	M	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	Y	H	0.5097
43	R	H	0.0000
44	Q	H	-0.7798
45	A	H	0.0000
46	P	H	-0.8877
47	G	H	-1.2523
48	K	H	-1.7342
49	Q	H	-1.6432
50	L	H	-0.4166
51	E	H	-0.4506
52	L	H	0.3904
53	V	H	0.0000
54	S	H	0.0000
55	F	H	0.6185
56	I	H	0.0000
57	A	H	-0.7110
58	S	H	-1.3251
59	G	H	-1.0522
63	G	H	-0.6972
64	S	H	-0.3369
65	T	H	0.2561
66	Y	H	0.7076
67	Y	H	-0.2592
68	A	H	-0.9383
69	D	H	-2.3284
70	S	H	-1.6947
71	V	H	0.0000
72	K	H	-2.4292
74	G	H	-1.7012
75	R	H	-1.4929
76	F	H	0.0000
77	T	H	-0.6296
78	I	H	0.0000
79	S	H	-0.4996
80	R	H	-1.2428
81	D	H	-1.8879
82	N	H	-2.4222
83	S	H	-1.8960
84	K	H	-2.5137
85	N	H	-1.9045
86	T	H	-1.0115
87	L	H	0.0000
88	Y	H	-0.3522
89	L	H	0.0000
90	Q	H	-1.0427
91	M	H	0.0000
92	N	H	-1.2912
93	S	H	-1.2347
94	L	H	0.0000
95	R	H	-2.1956
96	A	H	-1.6551
97	E	H	-2.1871
98	D	H	0.0000
99	T	H	-0.6333
100	A	H	0.0000
101	V	H	0.2196
102	Y	H	0.0000
103	Y	H	0.4823
104	C	H	0.0000
105	N	H	0.0000
106	S	H	0.0000
107	R	H	-1.3268
108	T	H	-1.3974
109	Y	H	-1.5049
110	D	H	-2.2925
113	G	H	-2.2579
114	E	H	-2.8023
115	K	H	-2.3169
116	T	H	-0.9366
117	Y	H	-0.5207
118	W	H	0.3023
119	G	H	0.0376
120	Q	H	-0.7605
121	G	H	-0.1344
122	T	H	-0.1106
123	T	H	0.0080
124	V	H	0.0000
125	T	H	0.0188
126	V	H	0.0000
127	S	H	-0.7664
128	S	H	-0.5746