Project name: query_structure

Chain sequence(s)	A: EVQVVESGGGLVQPGGSLRLSCAASGTGSFSTYAMGWYRQAPGNQHERVAIIDSVGNTNYPDSVKGRFTISRDNAKNTGYLQMNSLKSEDTAVYYCNLGTIWGQGTQVTVSS
Selected Chain(s)	A
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 A 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                                          (00:01:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:52)

• Minimal score value: -2.8184
• Maximal score value: 1.1507
• Average score: -0.7771
• Total score value: -87.0337

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	A	-1.9487
2	V	A	-0.8828
3	Q	A	-0.7311
4	V	A	0.0000
5	V	A	0.9242
6	E	A	0.0000
7	S	A	-0.5350
8	G	A	-1.0517
9	G	A	-0.7924
10	G	A	-0.0547
11	L	A	1.0121
12	V	A	-0.0281
13	Q	A	-1.3438
14	P	A	-1.6645
15	G	A	-1.4693
16	G	A	-1.0140
17	S	A	-1.4213
18	L	A	-1.0693
19	R	A	-2.3003
20	L	A	0.0000
21	S	A	-0.4910
22	C	A	0.0000
23	A	A	-0.2039
24	A	A	-0.2850
25	S	A	-0.6340
26	G	A	-1.0582
27	T	A	-0.6192
28	G	A	0.0000
29	S	A	-0.4844
30	F	A	0.0000
31	S	A	-0.3228
32	T	A	0.2694
33	Y	A	0.8245
34	A	A	0.1648
35	M	A	0.0000
36	G	A	0.0000
37	W	A	0.0000
38	Y	A	-0.8538
39	R	A	-1.3248
40	Q	A	-1.7333
41	A	A	-1.5942
42	P	A	-1.0384
43	G	A	-1.5887
44	N	A	-2.5177
45	Q	A	-2.6954
46	H	A	-2.2812
47	E	A	-2.1934
48	R	A	-2.0292
49	V	A	0.0000
50	A	A	0.0000
51	I	A	-0.6606
52	I	A	0.0000
53	D	A	-0.4972
54	S	A	0.2144
55	V	A	1.1507
56	G	A	-0.4738
57	N	A	-1.3537
58	T	A	-1.1491
59	N	A	-2.0261
60	Y	A	-1.6577
61	P	A	-1.9405
62	D	A	-2.6578
63	S	A	-1.8895
64	V	A	0.0000
65	K	A	-2.8184
66	G	A	-1.8551
67	R	A	-1.8504
68	F	A	0.0000
69	T	A	-1.1475
70	I	A	0.0000
71	S	A	-0.7952
72	R	A	-1.3891
73	D	A	-1.8325
74	N	A	-2.3055
75	A	A	-1.6865
76	K	A	-2.4177
77	N	A	-1.9100
78	T	A	-1.1317
79	G	A	0.0000
80	Y	A	-0.6975
81	L	A	0.0000
82	Q	A	-1.6075
83	M	A	0.0000
84	N	A	-1.9222
85	S	A	-1.3929
86	L	A	0.0000
87	K	A	-2.4066
88	S	A	-1.9582
89	E	A	-2.3492
90	D	A	0.0000
91	T	A	-0.9007
92	A	A	0.0000
93	V	A	-0.3377
94	Y	A	0.0000
95	Y	A	-0.2536
96	C	A	0.0000
97	N	A	0.1871
98	L	A	0.0000
99	G	A	0.1255
100	T	A	0.2344
101	I	A	0.4594
102	W	A	0.6571
103	G	A	0.1011
104	Q	A	-0.7457
105	G	A	0.0000
106	T	A	-0.6863
107	Q	A	-0.9588
108	V	A	0.0000
109	T	A	-0.2722
110	V	A	0.0000
111	S	A	-0.6640
112	S	A	-0.5041