Project name: query_structure

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

• Minimal score value: -2.9494
• Maximal score value: 2.1697
• Average score: -0.5636
• Total score value: -51.8537

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	0.9026
2	L	A	0.3005
3	P	A	-0.0300
4	A	A	-0.3412
5	P	A	0.0000
6	K	A	-1.8018
7	N	A	-1.3964
8	L	A	-0.1347
9	V	A	1.2206
10	V	A	0.6196
11	S	A	-0.5909
12	R	A	-1.8379
13	V	A	-1.0329
14	T	A	-1.8154
15	E	A	-2.8988
16	D	A	-2.6967
17	S	A	-2.0286
18	A	A	0.0000
19	R	A	-1.2085
20	L	A	0.0000
21	S	A	-0.3399
22	W	A	0.0000
23	T	A	-1.2004
24	A	A	-1.3406
25	P	A	-1.2962
26	D	A	-2.2609
27	A	A	-1.4141
28	A	A	-1.1525
29	F	A	0.0000
30	D	A	-2.4143
31	S	A	-1.1636
32	F	A	0.0000
33	W	A	0.5500
34	I	A	0.0000
35	R	A	-0.0688
36	Y	A	0.0000
37	F	A	0.5974
38	E	A	0.4156
39	F	A	2.1697
40	L	A	1.9015
41	G	A	0.3077
42	S	A	-0.3758
43	G	A	-0.7943
44	E	A	-1.7365
45	A	A	-0.4373
46	I	A	0.5249
47	V	A	1.0033
48	L	A	0.8248
49	T	A	0.2841
50	V	A	0.0000
51	P	A	-1.0455
52	G	A	0.0000
53	S	A	-1.5748
54	E	A	-1.4337
55	R	A	-1.0883
56	S	A	-0.6115
57	Y	A	-0.7183
58	D	A	-1.7146
59	L	A	0.0000
60	T	A	-1.4153
61	G	A	-1.4611
62	L	A	0.0000
63	K	A	-2.9494
64	P	A	-2.5759
65	G	A	-1.9268
66	T	A	-1.2325
67	E	A	-0.0205
68	Y	A	0.0000
69	V	A	1.1166
70	V	A	0.0000
71	N	A	-0.0261
72	I	A	0.0000
73	M	A	0.0000
74	G	A	0.0000
75	V	A	-1.0781
76	K	A	-1.9822
77	G	A	-1.7685
78	G	A	-1.7435
79	K	A	-1.6980
80	I	A	-0.2463
81	S	A	0.0000
82	P	A	-0.1054
83	P	A	-0.4238
84	L	A	-0.5272
85	S	A	-0.0556
86	A	A	0.9085
87	I	A	1.7808
88	F	A	0.0000
89	T	A	-0.5270
90	T	A	0.0000
91	G	A	-1.7939
92	G	A	-1.7291