Project name: c3fa54efae649da

Chain sequence(s)	H: VQLVESGGGLVQAGGSLRLSCAASGRTFSSYTMGWFRQAPGKEREYVGAISQNGGSTYYADSVKGRFTISRDNAKNTVYLQMNSLEPEDTAVYYCKGEPIIGSAYWGQGTQVTVS
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                                          (00:01:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:49)

• Minimal score value: -3.876
• Maximal score value: 2.5451
• Average score: -0.7523
• Total score value: -86.519

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	V	H	1.2553
2	Q	H	0.0957
3	L	H	0.0000
4	V	H	0.4577
5	E	H	0.0000
6	S	H	-0.7869
7	G	H	-1.2588
8	G	H	-0.8318
9	G	H	0.1533
10	L	H	1.1173
11	V	H	0.0126
12	Q	H	-1.2917
13	A	H	-1.6738
14	G	H	-1.6062
15	G	H	-1.3140
16	S	H	-1.5900
17	L	H	-1.3535
18	R	H	-2.5145
19	L	H	0.0000
20	S	H	-0.5258
21	C	H	0.0000
22	A	H	-0.4461
23	A	H	-0.7215
24	S	H	-0.9951
25	G	H	-1.3794
26	R	H	-1.9254
27	T	H	-1.2918
28	F	H	0.0000
29	S	H	-1.5605
30	S	H	-0.9657
31	Y	H	-0.6257
32	T	H	-0.9097
33	M	H	0.0000
34	G	H	0.0000
35	W	H	0.0000
36	F	H	0.1642
37	R	H	0.0000
38	Q	H	-2.1410
39	A	H	-2.1958
40	P	H	-1.4884
41	G	H	-1.8196
42	K	H	-3.5049
43	E	H	-3.8760
44	R	H	-3.3033
45	E	H	-1.9597
46	Y	H	0.4839
47	V	H	0.0000
48	G	H	0.0000
49	A	H	0.3243
50	I	H	0.0000
51	S	H	-1.1235
52	Q	H	-2.0920
53	N	H	-2.2251
54	G	H	-1.6611
55	G	H	-1.1696
56	S	H	-0.4099
57	T	H	0.3577
58	Y	H	1.0666
59	Y	H	-0.0159
60	A	H	-0.8021
61	D	H	-2.3140
62	S	H	-1.5808
63	V	H	0.0000
64	K	H	-2.4890
65	G	H	-1.9516
66	R	H	-1.9330
67	F	H	0.0000
68	T	H	-1.0684
69	I	H	0.0000
70	S	H	-0.6063
71	R	H	-1.5534
72	D	H	-2.0333
73	N	H	-2.5041
74	A	H	-1.6575
75	K	H	-2.4893
76	N	H	-2.2906
77	T	H	0.0000
78	V	H	0.0000
79	Y	H	-0.4749
80	L	H	0.0000
81	Q	H	-2.1535
82	M	H	0.0000
83	N	H	-2.4786
84	S	H	-1.7179
85	L	H	0.0000
86	E	H	-3.0115
87	P	H	-2.2282
88	E	H	-2.5551
89	D	H	0.0000
90	T	H	-1.0243
91	A	H	0.0000
92	V	H	-0.6092
93	Y	H	0.0000
94	Y	H	-0.0051
95	C	H	0.0000
96	K	H	-0.0860
97	G	H	-0.3867
98	E	H	-0.9337
99	P	H	0.7151
100	I	H	2.5451
101	I	H	2.4891
102	G	H	0.5817
103	S	H	0.2318
104	A	H	0.7415
105	Y	H	1.4157
106	W	H	1.3731
107	G	H	0.0000
108	Q	H	-0.8419
109	G	H	-0.5369
110	T	H	-0.8563
111	Q	H	-1.1578
112	V	H	0.0000
113	T	H	-0.3267
114	V	H	0.0000
115	S	H	-0.8893