Project name: query_structure

Chain sequence(s)	A: EVVAATPTSLLISWRHPHFPTRYYRITYGETGGNSPVQEFTVPLQPPTATISGLKPGVDYTITVYAVTDGRNGRLLSIPISINYRT
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                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)

• Minimal score value: -3.3332
• Maximal score value: 2.6814
• Average score: -0.6424
• Total score value: -55.2458

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	-1.1866
2	V	A	0.6311
3	V	A	1.7199
4	A	A	0.9895
5	A	A	0.3439
6	T	A	-0.5334
7	P	A	-1.1239
8	T	A	-0.9964
9	S	A	-0.5321
10	L	A	0.0000
11	L	A	0.8756
12	I	A	0.0000
13	S	A	-0.4222
14	W	A	0.0000
15	R	A	-2.4345
16	H	A	-1.4533
17	P	A	-0.8823
18	H	A	-0.8627
19	F	A	0.1986
20	P	A	-0.7329
21	T	A	-0.8716
22	R	A	-2.2845
23	Y	A	-1.0027
24	Y	A	0.0000
25	R	A	-0.3966
26	I	A	0.0000
27	T	A	0.0000
28	Y	A	-0.3959
29	G	A	0.0000
30	E	A	-1.6746
31	T	A	-1.2921
32	G	A	-1.2670
33	G	A	-1.4476
34	N	A	-1.5666
35	S	A	-0.9199
36	P	A	-0.4310
37	V	A	0.2473
38	Q	A	-1.2080
39	E	A	-1.7943
40	F	A	-0.7337
41	T	A	-0.2524
42	V	A	0.0000
43	P	A	-0.6914
44	L	A	-0.5507
45	Q	A	-1.3176
46	P	A	-1.1100
47	P	A	-0.9398
48	T	A	-0.3732
49	A	A	0.0000
50	T	A	0.2286
51	I	A	0.0000
52	S	A	-0.6606
53	G	A	-1.0373
54	L	A	0.0000
55	K	A	-2.3922
56	P	A	-1.6762
57	G	A	-1.4565
58	V	A	-1.4524
59	D	A	-2.1144
60	Y	A	0.0000
61	T	A	-0.7524
62	I	A	0.0000
63	T	A	0.2564
64	V	A	0.0000
65	Y	A	1.1679
66	A	A	0.0000
67	V	A	0.0000
68	T	A	-1.6169
69	D	A	-3.3332
70	G	A	-2.6182
71	R	A	-3.1672
72	N	A	-2.8968
73	G	A	-2.5668
74	R	A	-2.8544
75	L	A	-0.4671
76	L	A	1.3492
77	S	A	1.8533
78	I	A	2.6814
79	P	A	1.8515
80	I	A	1.7815
81	S	A	0.5540
82	I	A	-0.0658
83	N	A	-1.6261
84	Y	A	-1.4232
85	R	A	-2.5704
86	T	A	-1.5459