Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFNIAYWEPGIGGEAIWLRVPGSERSYDLTGLKPGTEYKVWIHGVKGGASSPPLIARFTT
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                                          (00:00:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:50)

• Minimal score value: -3.0523
• Maximal score value: 1.8423
• Average score: -0.667
• Total score value: -60.0322

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	M	A	1.0638
2	L	A	0.4435
3	P	A	-0.2042
4	A	A	-0.5110
5	P	A	0.0000
6	K	A	-2.0561
7	N	A	-1.3080
8	L	A	0.0850
9	V	A	0.9562
10	V	A	0.0419
11	S	A	-0.5895
12	R	A	-1.9912
13	V	A	-1.0117
14	T	A	-1.7870
15	E	A	-3.0523
16	D	A	-2.7732
17	S	A	-2.0663
18	A	A	0.0000
19	R	A	-1.1489
20	L	A	0.0000
21	S	A	-0.3692
22	W	A	0.0000
23	T	A	-1.3225
24	A	A	-1.4174
25	P	A	-1.3993
26	D	A	-2.2754
27	A	A	-1.4233
28	A	A	-1.1684
29	F	A	0.0000
30	D	A	-2.4183
31	S	A	0.0000
32	F	A	0.0000
33	N	A	-0.5586
34	I	A	0.0000
35	A	A	0.0000
36	Y	A	0.5450
37	W	A	-0.2021
38	E	A	-0.9061
39	P	A	-0.6831
40	G	A	0.1357
41	I	A	1.2431
42	G	A	-0.1461
43	G	A	-0.4662
44	E	A	-1.2906
45	A	A	-0.1050
46	I	A	1.0876
47	W	A	1.1865
48	L	A	0.2287
49	R	A	-1.5465
50	V	A	0.0000
51	P	A	-1.5357
52	G	A	0.0000
53	S	A	-1.6181
54	E	A	-1.5349
55	R	A	-1.1486
56	S	A	-0.6178
57	Y	A	-0.6737
58	D	A	-1.5432
59	L	A	0.0000
60	T	A	-1.3290
61	G	A	-1.5090
62	L	A	0.0000
63	K	A	-3.0269
64	P	A	-2.5883
65	G	A	-1.8634
66	T	A	-1.9082
67	E	A	-2.2812
68	Y	A	0.0000
69	K	A	-0.8246
70	V	A	0.0000
71	W	A	1.1221
72	I	A	0.0000
73	H	A	-0.2494
74	G	A	0.0000
75	V	A	-1.2016
76	K	A	-1.6547
77	G	A	-1.3824
78	G	A	-1.1128
79	A	A	-0.5713
80	S	A	-0.2878
81	S	A	0.0000
82	P	A	0.2605
83	P	A	0.3233
84	L	A	0.7843
85	I	A	1.8423
86	A	A	0.3853
87	R	A	-1.5201
88	F	A	0.0000
89	T	A	-1.6551
90	T	A	-1.9317