Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDASSSSVSYYRITYGETGGNSPVQEFTVPGSSSTATISGLKPGVDYTITVYAQSGPYYWYWGDSPISINYRT
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -3.3396
• Maximal score value: 2.8469
• Average score: -0.4377
• Total score value: -41.1413

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	V	A	1.5683
2	S	A	0.2665
3	D	A	-0.4436
4	V	A	-0.9690
5	P	A	0.0000
6	R	A	-3.0227
7	D	A	-3.3396
8	L	A	0.0000
9	E	A	-2.1246
10	V	A	0.0691
11	V	A	1.5118
12	A	A	0.8668
13	A	A	0.2744
14	T	A	-0.5599
15	P	A	-1.1625
16	T	A	-1.0148
17	S	A	-0.5577
18	L	A	0.0000
19	L	A	0.6927
20	I	A	0.0000
21	S	A	-0.9341
22	W	A	0.0000
23	D	A	-3.0791
24	A	A	-1.6096
25	S	A	-1.0237
26	S	A	-0.3841
27	S	A	-0.5009
28	S	A	-0.5451
29	V	A	0.0000
30	S	A	-0.4711
31	Y	A	-0.2428
32	Y	A	0.0000
33	R	A	-0.7302
34	I	A	0.0000
35	T	A	-0.5209
36	Y	A	-0.2407
37	G	A	0.0000
38	E	A	-1.4305
39	T	A	-1.1846
40	G	A	-1.2064
41	G	A	-1.3077
42	N	A	-1.5042
43	S	A	-0.7834
44	P	A	-0.2819
45	V	A	0.4994
46	Q	A	-0.7509
47	E	A	-1.5761
48	F	A	-0.6450
49	T	A	-0.3369
50	V	A	0.0000
51	P	A	-0.4259
52	G	A	-0.4667
53	S	A	-0.4312
54	S	A	-0.4980
55	S	A	-0.6663
56	T	A	-0.2914
57	A	A	0.0000
58	T	A	0.2744
59	I	A	0.0000
60	S	A	-0.6699
61	G	A	-1.0360
62	L	A	0.0000
63	K	A	-2.3541
64	P	A	-1.6516
65	G	A	-1.4275
66	V	A	-1.3930
67	D	A	-2.0400
68	Y	A	0.0000
69	T	A	-0.6802
70	I	A	0.0000
71	T	A	-0.2033
72	V	A	0.0000
73	Y	A	-0.5049
74	A	A	0.0000
75	Q	A	-0.2761
76	S	A	-0.0657
77	G	A	0.6284
78	P	A	0.6873
79	Y	A	2.5645
80	Y	A	2.8215
81	W	A	2.8469
82	Y	A	2.7530
83	W	A	1.7632
84	G	A	-0.1655
85	D	A	-1.1443
86	S	A	-0.8403
87	P	A	-0.7758
88	I	A	-0.4563
89	S	A	-0.3796
90	I	A	-0.7224
91	N	A	-1.7107
92	Y	A	-1.4457
93	R	A	-2.5136
94	T	A	-1.5092