Project name: query_structure

Chain sequence(s)	A: LQVDIVPSQGEISVGESKFFLCQVAGSGSHMRISWFSPNGEKLTPNQQRISVVWNDDSSSTLTIYNANIDDAGIYKCVVWRVGGYRHRALVLGEATVNVKIFQ
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)

• Minimal score value: -3.4415
• Maximal score value: 1.9541
• Average score: -0.8358
• Total score value: -86.0834

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	0.6766
2	Q	A	-1.0106
3	V	A	-1.2679
4	D	A	-1.2764
5	I	A	0.0000
6	V	A	1.2931
7	P	A	0.2868
8	S	A	-0.5670
9	Q	A	-1.8768
10	G	A	0.0000
11	E	A	-2.9100
12	I	A	0.0000
13	S	A	-1.1460
14	V	A	-0.1841
15	G	A	-1.2408
16	E	A	-2.2015
17	S	A	-0.9836
18	K	A	-0.5003
19	F	A	1.9541
20	F	A	0.0000
21	L	A	0.9681
22	C	A	0.0000
23	Q	A	-1.4238
24	V	A	0.0000
25	A	A	-0.5149
26	G	A	-0.4956
27	S	A	-0.7492
28	G	A	-1.2179
29	S	A	-1.3892
30	H	A	-1.9068
31	M	A	-1.6305
32	R	A	-1.8851
33	I	A	0.0000
34	S	A	0.0000
35	W	A	0.0000
36	F	A	-1.4331
37	S	A	-1.3716
38	P	A	-1.2859
39	N	A	-2.0760
40	G	A	-2.2436
41	E	A	-3.2472
42	K	A	-2.8211
43	L	A	-1.6058
44	T	A	-1.0811
45	P	A	-0.9904
46	N	A	-1.9987
47	Q	A	-2.0824
48	Q	A	-2.1040
49	R	A	-1.4227
50	I	A	0.0000
51	S	A	-0.2134
52	V	A	0.0000
53	V	A	0.6925
54	W	A	-0.6498
55	N	A	-1.9496
56	D	A	-3.1839
57	D	A	-3.4415
58	S	A	-2.3071
59	S	A	0.0000
60	S	A	0.0000
61	T	A	0.7208
62	L	A	0.0000
63	T	A	0.8889
64	I	A	0.0000
65	Y	A	-0.4431
66	N	A	-1.8449
67	A	A	0.0000
68	N	A	-0.9527
69	I	A	-0.1308
70	D	A	-1.6157
71	D	A	0.0000
72	A	A	-0.9579
73	G	A	-0.4780
74	I	A	0.2635
75	Y	A	0.0000
76	K	A	-1.2210
77	C	A	0.0000
78	V	A	0.0000
79	V	A	0.0000
80	W	A	-0.5780
81	R	A	-1.2872
82	V	A	-0.8200
83	G	A	-1.4466
84	G	A	-1.1624
85	Y	A	-0.3102
86	R	A	-2.3930
87	H	A	-2.2822
88	R	A	-2.5801
89	A	A	-1.0987
90	L	A	0.1811
91	V	A	0.6012
92	L	A	0.4569
93	G	A	-0.5383
94	E	A	-1.8664
95	A	A	-1.4563
96	T	A	-0.7109
97	V	A	0.0000
98	N	A	-1.6111
99	V	A	0.0000
100	K	A	-2.4736
101	I	A	0.0000
102	F	A	-0.4533
103	Q	A	-0.4677