Project name: query_structure

Chain sequence(s)	A: LQVDIVPSQGEISVGESKFFLCQVAGSGSHIRISWFSPNGEKLTPNQQRISVVWNDDSSSTLTIYNANIDDAGIYKCVVWRTGGYRHRALVLGEATVNVKIFQ
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                                          (00:02:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:40)

• Minimal score value: -3.4177
• Maximal score value: 2.0587
• Average score: -0.795
• Total score value: -81.885

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	0.4996
2	Q	A	-1.0875
3	V	A	-1.3476
4	D	A	-1.2197
5	I	A	0.0000
6	V	A	1.4091
7	P	A	0.5714
8	S	A	-0.5414
9	Q	A	-1.8836
10	G	A	0.0000
11	E	A	-2.8196
12	I	A	0.0000
13	S	A	-1.0609
14	V	A	-0.3448
15	G	A	-1.2960
16	E	A	-2.2197
17	S	A	-0.9679
18	K	A	-0.3250
19	F	A	2.0587
20	F	A	0.0000
21	L	A	0.9757
22	C	A	0.0000
23	Q	A	-1.5331
24	V	A	0.0000
25	A	A	-0.5727
26	G	A	-0.4952
27	S	A	-0.6999
28	G	A	-1.0421
29	S	A	-1.4094
30	H	A	-2.0389
31	I	A	-1.5232
32	R	A	-1.8636
33	I	A	0.0000
34	S	A	0.0000
35	W	A	0.0000
36	F	A	-1.2062
37	S	A	-1.2544
38	P	A	-1.3007
39	N	A	-2.0262
40	G	A	-2.1193
41	E	A	-2.9365
42	K	A	-2.1910
43	L	A	-1.2917
44	T	A	-0.9205
45	P	A	-0.9174
46	N	A	-1.9574
47	Q	A	-2.0270
48	Q	A	-2.0909
49	R	A	-1.4609
50	I	A	0.0000
51	S	A	-0.2297
52	V	A	0.0000
53	V	A	0.7322
54	W	A	-0.6700
55	N	A	-1.9236
56	D	A	-3.0515
57	D	A	-3.4177
58	S	A	-2.2379
59	S	A	0.0000
60	S	A	0.0000
61	T	A	0.7359
62	L	A	0.0000
63	T	A	0.9154
64	I	A	0.0000
65	Y	A	-0.5588
66	N	A	-1.9268
67	A	A	0.0000
68	N	A	-0.9423
69	I	A	-0.0279
70	D	A	-1.4214
71	D	A	0.0000
72	A	A	-0.9519
73	G	A	-0.5879
74	I	A	0.0330
75	Y	A	0.0000
76	K	A	-1.2040
77	C	A	0.0000
78	V	A	0.0000
79	V	A	0.0000
80	W	A	-0.3177
81	R	A	-1.0748
82	T	A	-1.5116
83	G	A	-1.6148
84	G	A	-1.3283
85	Y	A	-0.4090
86	R	A	-2.5104
87	H	A	-2.5060
88	R	A	-2.4963
89	A	A	-0.8549
90	L	A	1.1163
91	V	A	1.1052
92	L	A	0.8195
93	G	A	-0.3409
94	E	A	-1.8726
95	A	A	-1.6471
96	T	A	-0.7751
97	V	A	0.0000
98	N	A	-1.7539
99	V	A	0.0000
100	K	A	-2.1264
101	I	A	0.0000
102	F	A	-0.2081
103	Q	A	-0.3658