Project name: WH22NAY

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGLTFSRNAMSWYRQAPGKERELVSRITTAGGSTDYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCKTGYIGPGSWGQGTTVTVSS
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -2.6828
• Maximal score value: 2.2967
• Average score: -0.6337
• Total score value: -73.5134

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	E	H	-1.7843
2	V	H	-0.6674
3	Q	H	-1.1758
4	L	H	0.0000
5	V	H	0.3688
6	E	H	0.0000
7	S	H	-0.4828
8	G	H	-0.9742
9	G	H	-0.4303
11	G	H	0.2274
12	L	H	1.1902
13	V	H	-0.0671
14	Q	H	-1.4363
15	P	H	-1.6537
16	G	H	-1.5894
17	G	H	-1.0619
18	S	H	-1.2497
19	L	H	-0.7939
20	R	H	-1.9975
21	L	H	0.0000
22	S	H	-0.3733
23	C	H	0.0000
24	A	H	-0.3653
25	A	H	0.0000
26	S	H	-0.9258
27	G	H	-0.9603
28	L	H	-0.5868
29	T	H	-0.6797
30	F	H	0.0000
35	S	H	-1.4761
36	R	H	-1.9724
37	N	H	-0.5411
38	A	H	-0.4219
39	M	H	0.0000
40	S	H	-0.5137
41	W	H	0.0000
42	Y	H	0.1407
43	R	H	0.0000
44	Q	H	-1.0787
45	A	H	-1.0523
46	P	H	-0.9488
47	G	H	-1.3902
48	K	H	-2.0960
49	E	H	-2.6090
50	R	H	-1.5445
51	E	H	-0.9253
52	L	H	-0.0162
53	V	H	0.0000
54	S	H	0.0000
55	R	H	-1.7253
56	I	H	0.0000
57	T	H	-0.9947
58	T	H	-0.9530
59	A	H	-0.7162
62	G	H	-0.7760
63	G	H	-0.6373
64	S	H	-0.8646
65	T	H	-1.0293
66	D	H	-1.4688
67	Y	H	-1.4191
68	A	H	-1.4549
69	D	H	-2.5156
70	S	H	-1.7227
71	V	H	0.0000
72	K	H	-2.6828
74	G	H	-1.7374
75	R	H	-1.6940
76	F	H	0.0000
77	T	H	-1.0288
78	I	H	0.0000
79	S	H	-0.5829
80	R	H	-0.8503
81	D	H	-1.4275
82	N	H	-1.7606
83	S	H	-1.5198
84	K	H	-2.3277
85	N	H	-1.6631
86	T	H	-0.9405
87	L	H	0.0000
88	Y	H	-0.3006
89	L	H	0.0000
90	Q	H	-1.0793
91	M	H	0.0000
92	N	H	-1.4275
93	S	H	-1.4148
94	L	H	0.0000
95	R	H	-2.5678
96	A	H	-1.4363
97	E	H	-1.1713
98	D	H	0.0000
99	T	H	-0.3101
100	A	H	0.0000
101	V	H	0.1380
102	Y	H	0.0000
103	Y	H	0.1945
104	C	H	0.0000
105	K	H	0.0000
106	T	H	0.0000
107	G	H	0.5398
108	Y	H	1.9242
109	I	H	2.2967
114	G	H	0.8420
115	P	H	0.4628
116	G	H	0.7458
117	S	H	0.0689
118	W	H	0.2475
119	G	H	-0.1978
120	Q	H	-0.9669
121	G	H	-0.2588
122	T	H	-0.2067
123	T	H	0.1588
124	V	H	0.0000
125	T	H	0.0447
126	V	H	0.0000
127	S	H	-0.6754
128	S	H	-0.7563