Project name: LAAS

Chain sequence(s)	H: EVQLLESGGGLVQPGGSLRLSCAASGYTNRLKCMGWFRQAPGKERELAASISTGTGNTYYADSVKGRFTISRDNSKNTLYLQMNSLKAEDTAVYYCAADVRPDGTTCHYNSRGQGTLVTVSS
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                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -3.1842
• Maximal score value: 1.8035
• Average score: -0.802
• Total score value: -97.8499

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	-1.8792
2	V	H	-1.5333
3	Q	H	-1.5403
4	L	H	0.0000
5	L	H	0.7199
6	E	H	0.0000
7	S	H	-0.0518
8	G	H	-0.5004
9	G	H	0.2921
11	G	H	0.7533
12	L	H	1.4383
13	V	H	-0.0187
14	Q	H	-1.3709
15	P	H	-1.7061
16	G	H	-1.4458
17	G	H	-0.9804
18	S	H	-1.0348
19	L	H	-0.3929
20	R	H	-1.1751
21	L	H	0.0000
22	S	H	-0.2338
23	C	H	0.0000
24	A	H	-0.3426
25	A	H	-0.4090
26	S	H	-0.7062
27	G	H	-1.0793
28	Y	H	-0.9301
29	T	H	-1.1413
30	N	H	-1.9506
35	R	H	-1.8527
36	L	H	-1.0847
37	K	H	-1.8182
38	C	H	-0.8176
39	M	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	F	H	-0.1746
43	R	H	0.0000
44	Q	H	-1.2550
45	A	H	-1.4893
46	P	H	-1.2998
47	G	H	-1.8133
48	K	H	-3.1535
49	E	H	-3.1842
50	R	H	-1.9075
51	E	H	-1.3678
52	L	H	0.1819
53	A	H	0.0000
54	A	H	0.0000
55	S	H	0.4534
56	I	H	0.0000
57	S	H	-0.8483
58	T	H	-1.3935
59	G	H	-1.0681
62	T	H	-1.0021
63	G	H	-1.2192
64	N	H	-1.1030
65	T	H	0.0162
66	Y	H	0.7880
67	Y	H	-0.1459
68	A	H	-0.9894
69	D	H	-2.3237
70	S	H	-1.7749
71	V	H	0.0000
72	K	H	-2.4127
74	G	H	-1.7535
75	R	H	-1.6777
76	F	H	0.0000
77	T	H	-0.5504
78	I	H	0.0000
79	S	H	-0.7718
80	R	H	-1.7254
81	D	H	-2.2002
82	N	H	-2.6600
83	S	H	-2.1393
84	K	H	-2.9040
85	N	H	-2.5880
86	T	H	0.0000
87	L	H	0.0000
88	Y	H	-0.4096
89	L	H	0.0000
90	Q	H	-0.7757
91	M	H	0.0000
92	N	H	-1.2443
93	S	H	-1.2961
94	L	H	0.0000
95	K	H	-2.5755
96	A	H	-1.8479
97	E	H	-2.3418
98	D	H	0.0000
99	T	H	-0.3807
100	A	H	0.0000
101	V	H	0.9213
102	Y	H	0.0000
103	Y	H	-0.0481
104	C	H	0.0000
105	A	H	0.0000
106	A	H	0.0000
107	D	H	0.0000
108	V	H	-0.6619
109	R	H	-1.4594
110	P	H	-1.4829
111	D	H	-2.2088
111A	G	H	-1.4961
112A	T	H	-1.1373
112	T	H	-0.6687
113	C	H	-0.6189
114	H	H	-1.2840
115	Y	H	0.0000
116	N	H	-1.7247
117	S	H	-1.7917
118	R	H	-2.2834
119	G	H	-1.2522
120	Q	H	-1.3384
121	G	H	0.0000
122	T	H	0.6770
123	L	H	1.8035
124	V	H	0.0000
125	T	H	0.3875
126	V	H	0.0000
127	S	H	-0.6207
128	S	H	-0.4416