Project name: attr-closedgate

Chain sequence(s)	B: PLMVKVLDAVRGSPAINVAVHVFRKGLTTEEEFVEGIYKVEIDTKSYWKALGSSPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTN
Selected Chain(s)	B
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 B 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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)

• Minimal score value: -2.8968
• Maximal score value: 2.8527
• Average score: 0.2271
• Total score value: 21.1172

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
11	P	B	0.9158
12	L	B	2.3397
13	M	B	2.2878
14	V	B	2.5018
15	K	B	-0.0955
16	V	B	1.4530
17	L	B	1.1187
18	D	B	-1.0826
19	A	B	-0.1693
20	V	B	0.0680
21	R	B	-1.6835
22	G	B	-1.2049
23	S	B	-0.4440
24	P	B	0.0126
25	A	B	0.6771
26	I	B	1.0957
27	N	B	0.3505
28	V	B	1.8147
29	A	B	1.7519
30	V	B	2.3856
31	H	B	1.3005
32	V	B	2.0112
33	F	B	0.7467
34	R	B	-1.4923
35	K	B	-2.2783
57	G	B	0.2019
58	L	B	1.3682
59	T	B	0.0932
60	T	B	-1.1539
61	E	B	-2.7631
62	E	B	-2.8968
63	E	B	-1.8683
64	F	B	0.3522
65	V	B	0.9905
66	E	B	-0.3746
67	G	B	-0.0670
68	I	B	1.9479
69	Y	B	1.2589
70	K	B	-0.5471
71	V	B	0.4334
72	E	B	-1.3707
73	I	B	0.5016
74	D	B	-0.9586
75	T	B	-1.4056
76	K	B	-2.0031
77	S	B	-0.5960
78	Y	B	1.1076
79	W	B	0.9884
80	K	B	-0.5565
81	A	B	0.4502
82	L	B	1.3048
83	G	B	0.3459
84	S	B	0.0294
85	S	B	-0.4596
86	P	B	-0.0620
87	F	B	0.1619
88	H	B	-1.5696
89	E	B	-2.4337
90	H	B	-1.9894
91	A	B	-0.8734
92	E	B	-0.5429
93	V	B	1.9140
94	V	B	2.8527
95	F	B	2.7197
96	T	B	0.8470
97	A	B	-0.3250
98	N	B	-2.0653
99	D	B	-2.7847
100	S	B	-1.8322
101	G	B	-1.6451
102	P	B	-1.3955
103	R	B	-1.8924
104	R	B	-1.5980
105	Y	B	0.6998
106	T	B	1.2774
107	I	B	2.3559
108	A	B	1.5580
109	A	B	1.4010
110	L	B	1.8279
111	L	B	1.7765
112	S	B	1.0283
113	P	B	0.8182
114	Y	B	1.5593
115	S	B	1.0449
116	Y	B	1.3485
117	S	B	0.6486
118	T	B	0.2520
119	T	B	0.7722
120	A	B	1.5046
121	V	B	2.7839
122	V	B	2.2619
123	T	B	0.6100
124	N	B	-0.6319