Project name: protein 7

Chain sequence(s)	A: MPNIFPKNLDEGEVRSFNHRQRFRDILCENQLRFYKRLDELQCEEGLDDIMLDRLAKPNSSNLAAARDKHAKVDVFRILSSVSVDTAMQVAAITNLGAAGGNLTKAYNPRG
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                                          (00:02:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:07)

• Minimal score value: -3.6234
• Maximal score value: 1.8292
• Average score: -1.3842
• Total score value: -153.6423

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	0.8783
2	P	A	0.5813
3	N	A	0.1193
4	I	A	1.8292
5	F	A	1.0394
6	P	A	-0.6367
7	K	A	-2.0995
8	N	A	-2.5711
9	L	A	-2.3114
10	D	A	-3.6234
11	E	A	-3.4728
12	G	A	-2.6529
13	E	A	-2.6846
14	V	A	-2.4059
15	R	A	-3.3899
16	S	A	-2.4661
17	F	A	-2.2086
18	N	A	-2.7891
19	H	A	-3.2690
20	R	A	-3.2789
21	Q	A	-3.0688
22	R	A	-2.9282
23	F	A	-1.2518
24	R	A	-2.6525
25	D	A	-2.6351
26	I	A	-0.4495
27	L	A	-0.5983
28	C	A	-0.4958
29	E	A	-0.9455
30	N	A	0.0000
31	Q	A	-0.3117
32	L	A	0.1531
33	R	A	-1.8754
34	F	A	0.0000
35	Y	A	-1.0830
36	K	A	-2.6989
37	R	A	-2.6257
38	L	A	0.0000
39	D	A	-2.9545
40	E	A	-3.6170
41	L	A	0.0000
42	Q	A	-3.1311
43	C	A	-1.9695
44	E	A	-3.2098
45	E	A	-3.2828
46	G	A	-2.6590
47	L	A	0.0000
48	D	A	-2.8451
49	D	A	-2.6256
50	I	A	-0.9111
51	M	A	0.0000
52	L	A	-1.9305
53	D	A	-2.6836
54	R	A	-2.2079
55	L	A	0.0000
56	A	A	-1.4564
57	K	A	-2.6859
58	P	A	0.0000
59	N	A	-1.8415
60	S	A	-1.1619
61	S	A	-0.9703
62	N	A	-1.6790
63	L	A	0.0000
64	A	A	-1.1525
65	A	A	-1.5073
66	A	A	0.0000
67	R	A	-2.2032
68	D	A	-2.8681
69	K	A	-2.4847
70	H	A	-2.3115
71	A	A	-2.0776
72	K	A	-2.4919
73	V	A	-2.1901
74	D	A	-2.2027
75	V	A	0.0000
76	F	A	-0.2758
77	R	A	-1.6354
78	I	A	0.0000
79	L	A	0.0000
80	S	A	-0.4369
81	S	A	-0.4891
82	V	A	0.0000
83	S	A	-0.4031
84	V	A	-0.0267
85	D	A	-1.1216
86	T	A	0.0000
87	A	A	0.0000
88	M	A	-0.2395
89	Q	A	0.1458
90	V	A	0.0000
91	A	A	0.0000
92	A	A	-0.2040
93	I	A	0.4596
94	T	A	0.0000
95	N	A	-1.5233
96	L	A	0.0000
97	G	A	-1.0994
98	A	A	-0.9939
99	A	A	-1.2363
100	G	A	0.0000
101	G	A	-1.5587
102	N	A	-2.1982
103	L	A	0.0000
104	T	A	-1.6779
105	K	A	-2.9568
106	A	A	-1.5140
107	Y	A	-1.2941
108	N	A	-2.2770
109	P	A	-2.1430
110	R	A	-2.7429
111	G	A	-2.0085