Project name: ATPase4

Chain sequence(s)	A: MEFTRLSKNLWRASEETLVLYSVGKTLKKVGVRAVLTPEQLAKAEALLREERKRLAERFRALGVRALVEVVVKHSYMPEEEAKRLIELRERLTREAAPDIVVRTVVVDETTPEEEVRARAAAAGEAALAEAAARRAAA
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]                                                (00:00:05)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:05)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:05)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:05)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:48)

• Minimal score value: -4.7488
• Maximal score value: 1.1234
• Average score: -1.3421
• Total score value: -185.2103

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	-0.1430
2	E	A	-1.5617
3	F	A	-1.0102
4	T	A	-1.0811
5	R	A	-2.1211
6	L	A	-0.6940
7	S	A	-1.2692
8	K	A	-2.0847
9	N	A	-0.9955
10	L	A	0.0000
11	W	A	-0.9660
12	R	A	-1.1947
13	A	A	-1.3156
14	S	A	-1.4876
15	E	A	-2.2077
16	E	A	-1.7151
17	T	A	0.0000
18	L	A	0.0000
19	V	A	0.0000
20	L	A	0.1596
21	Y	A	0.5373
22	S	A	0.7206
23	V	A	1.1234
24	G	A	-0.4424
25	K	A	-2.0473
26	T	A	0.0000
27	L	A	0.0000
28	K	A	-2.6893
29	K	A	-2.7380
30	V	A	0.0000
31	G	A	-1.2470
32	V	A	-0.4162
33	R	A	-0.5432
34	A	A	0.4401
35	V	A	0.8829
36	L	A	0.0000
37	T	A	-0.7572
38	P	A	-1.1518
39	E	A	-2.2715
40	Q	A	-1.6487
41	L	A	-0.9239
42	A	A	-1.4336
43	K	A	-2.1083
44	A	A	0.0000
45	E	A	-1.8793
46	A	A	-1.8333
47	L	A	-1.9383
48	L	A	0.0000
49	R	A	-4.3077
50	E	A	-4.3017
51	E	A	-3.9212
52	R	A	0.0000
53	K	A	-4.7488
54	R	A	-4.5932
55	L	A	0.0000
56	A	A	0.0000
57	E	A	-4.0698
58	R	A	-3.5808
59	F	A	0.0000
60	R	A	-3.1409
61	A	A	-1.7230
62	L	A	-1.3215
63	G	A	-1.4890
64	V	A	0.0000
65	R	A	-1.3295
66	A	A	0.0000
67	L	A	0.0000
68	V	A	0.0000
69	E	A	0.0000
70	V	A	0.0000
71	V	A	0.0000
72	V	A	-0.6273
73	K	A	-2.2037
74	H	A	-1.3042
75	S	A	-0.7493
76	Y	A	0.5359
77	M	A	0.0000
78	P	A	-1.5889
79	E	A	-3.4348
80	E	A	-3.3755
81	E	A	0.0000
82	A	A	-2.2753
83	K	A	-3.4073
84	R	A	-2.9560
85	L	A	-1.7079
86	I	A	-1.6097
87	E	A	-2.2369
88	L	A	-1.9460
89	R	A	-1.8606
90	E	A	-2.0759
91	R	A	-3.1379
92	L	A	-3.1934
93	T	A	0.0000
94	R	A	-2.7331
95	E	A	-3.4185
96	A	A	-3.3882
97	A	A	0.0000
98	P	A	-2.1197
99	D	A	-2.8781
100	I	A	0.0000
101	V	A	0.0000
102	V	A	0.0000
103	R	A	-0.4950
104	T	A	-0.3877
105	V	A	0.0000
106	V	A	-0.1855
107	V	A	0.0000
108	D	A	-2.3651
109	E	A	-2.8694
110	T	A	-1.5506
111	T	A	-1.9752
112	P	A	-2.6572
113	E	A	-3.8304
114	E	A	-3.8491
115	E	A	-3.6091
116	V	A	0.0000
117	R	A	-3.0476
118	A	A	-2.1667
119	R	A	-2.2836
120	A	A	0.0000
121	A	A	-1.2468
122	A	A	-1.0863
123	A	A	-1.0480
124	G	A	0.0000
125	E	A	-1.8017
126	A	A	-0.9390
127	A	A	0.0000
128	L	A	-0.7914
129	A	A	-0.7199
130	E	A	-1.2982
131	A	A	0.0000
132	A	A	-1.1189
133	A	A	-1.2974
134	R	A	-2.5248
135	R	A	-2.6920
136	A	A	-1.2631
137	A	A	-0.9318
138	A	A	-0.9068