Project name: query_structure

Chain sequence(s)	A: LQVDIVPSQGEISVGESKFFLCQVAGSKSDIRISWFSPNGEKLTPNQQRISVVWNDDSSSTLTIYNANIDDAGIYKCVVYRTGGYRHRYLVLGEATVNVKIFQ
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]                                                (00:00:00)
[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 A 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                                          (00:01:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)

• Minimal score value: -3.6543
• Maximal score value: 2.0266
• Average score: -0.7184
• Total score value: -73.9969

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	L	A	0.3684
2	Q	A	-1.1019
3	V	A	-1.3684
4	D	A	-1.4376
5	I	A	0.0000
6	V	A	1.2777
7	P	A	0.3682
8	S	A	-0.4770
9	Q	A	-1.5599
10	G	A	0.0000
11	E	A	-2.3131
12	I	A	0.0000
13	S	A	-0.8428
14	V	A	-0.2004
15	G	A	-1.3389
16	E	A	-2.2776
17	S	A	-1.0533
18	K	A	-0.3734
19	F	A	2.0266
20	F	A	0.0000
21	L	A	0.9475
22	C	A	0.0000
23	Q	A	-1.5013
24	V	A	0.0000
25	A	A	-0.7832
26	G	A	-0.9182
27	S	A	-1.5627
28	K	A	-2.6784
29	S	A	-2.4434
30	D	A	-2.9054
31	I	A	-1.6339
32	R	A	-1.2454
33	I	A	0.0000
34	S	A	0.0000
35	W	A	0.0000
36	F	A	-1.2169
37	S	A	-1.2627
38	P	A	-1.1836
39	N	A	-2.0098
40	G	A	-2.1168
41	E	A	-2.9617
42	K	A	-2.2347
43	L	A	0.0000
44	T	A	-1.0051
45	P	A	-0.9590
46	N	A	-2.0306
47	Q	A	-2.1537
48	Q	A	-2.1225
49	R	A	-1.4614
50	I	A	0.0000
51	S	A	-0.2386
52	V	A	0.0000
53	V	A	0.7404
54	W	A	-0.5596
55	N	A	-1.8914
56	D	A	-3.0396
57	D	A	-3.6543
58	S	A	-2.5453
59	S	A	0.0000
60	S	A	0.0000
61	T	A	0.7379
62	L	A	0.0000
63	T	A	0.9045
64	I	A	0.0000
65	Y	A	-0.6276
66	N	A	-2.0071
67	A	A	0.0000
68	N	A	-1.0149
69	I	A	0.3369
70	D	A	-1.4094
71	D	A	0.0000
72	A	A	-0.3922
73	G	A	-0.1015
74	I	A	0.5097
75	Y	A	0.0000
76	K	A	-1.0931
77	C	A	0.0000
78	V	A	0.0000
79	V	A	0.0000
80	Y	A	0.3811
81	R	A	-0.5785
82	T	A	-0.9212
83	G	A	-1.1064
84	G	A	-1.0605
85	Y	A	-0.4033
86	R	A	-2.3567
87	H	A	-2.2128
88	R	A	-1.9155
89	Y	A	0.4224
90	L	A	2.0085
91	V	A	1.9943
92	L	A	1.2699
93	G	A	-0.1993
94	E	A	-1.8120
95	A	A	-1.4916
96	T	A	-0.6164
97	V	A	0.0000
98	N	A	-0.8526
99	V	A	0.0000
100	K	A	-1.2706
101	I	A	-0.4183
102	F	A	0.4174
103	Q	A	-0.1833