Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFVIVYSEPDVCGEAIVLTVPGSERSYDLTGLKPGTEYWVRIAGVKGGDFSRPLSAIFTT
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                                          (00:00:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:44)

• Minimal score value: -3.3258
• Maximal score value: 2.04
• Average score: -0.6426
• Total score value: -57.8341

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	0.9185
2	L	A	0.3324
3	P	A	-0.1588
4	A	A	0.0000
5	P	A	0.0000
6	K	A	-2.0095
7	N	A	-1.4087
8	L	A	-0.3002
9	V	A	1.1629
10	V	A	0.6004
11	S	A	-0.6285
12	R	A	-2.0282
13	V	A	-1.1836
14	T	A	-1.9983
15	E	A	-3.3258
16	D	A	-3.2440
17	S	A	-2.2768
18	A	A	0.0000
19	R	A	-1.1587
20	L	A	0.0000
21	S	A	-0.3172
22	W	A	0.0000
23	T	A	-1.2260
24	A	A	-1.3455
25	P	A	-1.2893
26	D	A	-2.2350
27	A	A	-1.3778
28	A	A	0.0000
29	F	A	0.0000
30	D	A	-2.6448
31	S	A	-1.1477
32	F	A	0.0000
33	V	A	0.7890
34	I	A	0.0000
35	V	A	0.7094
36	Y	A	0.6388
37	S	A	0.0348
38	E	A	-0.6779
39	P	A	-0.6120
40	D	A	-1.1682
41	V	A	0.2692
42	C	A	0.2560
43	G	A	-0.7532
44	E	A	-1.1262
45	A	A	0.1334
46	I	A	1.1652
47	V	A	2.0400
48	L	A	1.4112
49	T	A	0.6248
50	V	A	0.0000
51	P	A	-1.1300
52	G	A	0.0000
53	S	A	-1.6290
54	E	A	-1.6364
55	R	A	-1.2053
56	S	A	-0.6667
57	Y	A	-0.7120
58	D	A	-1.4331
59	L	A	0.0000
60	T	A	-1.4138
61	G	A	-1.6523
62	L	A	0.0000
63	K	A	-3.1553
64	P	A	-2.6922
65	G	A	-1.8504
66	T	A	-1.9175
67	E	A	-1.0619
68	Y	A	0.0000
69	W	A	0.6257
70	V	A	0.0000
71	R	A	-0.7794
72	I	A	0.0000
73	A	A	0.0000
74	G	A	0.0000
75	V	A	-0.8844
76	K	A	-1.7996
77	G	A	-1.6727
78	G	A	-1.5385
79	D	A	-1.6204
80	F	A	0.5321
81	S	A	0.0000
82	R	A	-1.6663
83	P	A	-1.0654
84	L	A	-1.1965
85	S	A	-0.1512
86	A	A	0.9119
87	I	A	1.7598
88	F	A	0.0000
89	T	A	-0.6039
90	T	A	-1.9735