Project name: REST_test

Chain sequence(s)	A: IQKVQDDTKTLIKTIVTRINDILDFIPGLHPILTLSKMDQTLAVYQQILTSMPSRNVIQISNDLENLRDLLHVLAFSKSCHLPEASGLETLDSLGGVLEASGYSTEVVALSRLQGSLQDMLWQLDLSPGC
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	QS134A
Energy difference between WT (input) and mutated protein (by FoldX)	0.485272 kcal/mol

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]       FoldX:    Building mutant model                                                       (00:01:18)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:24)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:52)

• Minimal score value: -2.0533
• Maximal score value: 1.9496
• Average score: -0.2207
• Total score value: -28.6901

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
3	I	A	1.8187
4	Q	A	-1.1649
5	K	A	-1.9531
6	V	A	0.1054
7	Q	A	-0.3987
8	D	A	-1.2163
9	D	A	-1.9091
10	T	A	0.0000
11	K	A	-0.6319
12	T	A	-0.1482
13	L	A	0.1898
14	I	A	0.0000
15	K	A	-1.4739
16	T	A	-0.2980
17	I	A	0.0000
18	V	A	0.3271
19	T	A	-0.0896
20	R	A	-0.4972
21	I	A	0.0000
22	N	A	-1.6096
23	D	A	-1.6579
24	I	A	1.6828
39	L	A	0.4281
40	D	A	-1.2866
41	F	A	1.6552
42	I	A	0.5878
43	P	A	-0.2169
44	G	A	-0.1449
45	L	A	0.0000
46	H	A	-0.9957
47	P	A	0.0620
48	I	A	1.6195
49	L	A	1.1390
50	T	A	0.1251
51	L	A	0.0000
52	S	A	-0.1904
53	K	A	-0.9566
54	M	A	0.0000
55	D	A	0.0000
56	Q	A	-0.3299
57	T	A	0.0000
58	L	A	0.0000
59	A	A	0.0065
60	V	A	0.0000
61	Y	A	0.0000
62	Q	A	-0.1756
63	Q	A	-0.3390
64	I	A	0.0000
65	L	A	0.0000
66	T	A	-0.1098
67	S	A	-0.2043
68	M	A	0.0315
69	P	A	-0.2637
70	S	A	-0.5506
71	R	A	-1.9079
72	N	A	-0.5861
73	V	A	0.0000
74	I	A	1.2697
75	Q	A	-0.3204
76	I	A	0.0000
77	S	A	-0.1195
78	N	A	-1.2771
79	D	A	0.0000
80	L	A	0.0000
81	E	A	-2.0533
82	N	A	-1.6067
83	L	A	0.0000
84	R	A	-0.6981
85	D	A	-1.8152
86	L	A	-0.0998
87	L	A	0.0000
88	H	A	-0.1304
89	V	A	0.8169
90	L	A	0.0000
91	A	A	0.0000
92	F	A	1.9496
93	S	A	0.0507
94	K	A	-0.5909
95	S	A	-0.0814
96	C	A	-0.0799
97	H	A	-0.9318
98	L	A	-0.0564
99	P	A	-0.5631
100	E	A	-1.8644
101	A	A	-0.3548
102	S	A	-0.2969
103	G	A	-0.4289
104	L	A	-0.0173
105	E	A	-1.7489
106	T	A	-0.3017
107	L	A	0.0267
108	D	A	-1.7620
109	S	A	-0.5411
110	L	A	0.0000
111	G	A	-0.3253
112	G	A	-0.4196
113	V	A	0.4147
114	L	A	0.0000
115	E	A	-1.8170
116	A	A	-0.3612
117	S	A	-0.2956
118	G	A	-0.3191
119	Y	A	0.9053
120	S	A	0.0571
121	T	A	-0.3332
122	E	A	-1.3754
123	V	A	0.4199
124	V	A	0.0000
125	A	A	0.0000
126	L	A	0.0000
127	S	A	-0.0610
128	R	A	-0.2279
129	L	A	0.0000
130	Q	A	-0.3091
131	G	A	-0.1903
132	S	A	0.0000
133	L	A	0.0000
134	S	A	-0.1738	mutated: QS134A
135	D	A	-0.4221
136	M	A	0.0000
137	L	A	0.4494
138	W	A	1.2260
139	Q	A	0.0000
140	L	A	0.0000
141	D	A	-1.5009
142	L	A	1.1754
143	S	A	0.0690
144	P	A	0.0000
145	G	A	-0.3295
146	C	A	0.2084