Project name: REST_test

Chain sequence(s)	A: MDGTRTSLDIEEYSDTEVQKNQVLTLEEWQDKWVNGKTAFHQEQGHQLLKKHLDTFLKGKSGLRVFFPLCGKAVEMKWFADRGHSVVGVEISELGIQEFFTEQNLSYSEEPITEIPGTKVFKSSSGNISLYCCSIFDLPRTNIGKFDMIWDRGALVAINPGDRKCYADTMFSLLGKKFQYLLCVLSYDPTKHPGPPFYVPHAEIERLFGKICNIRCLEKVDAFEERHKSWGIDCLFEKLYLLTEK
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	FV67A
Energy difference between WT (input) and mutated protein (by FoldX)	3.51985 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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                                                       (00:03:19)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:03:22)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:02)

• Minimal score value: -2.476
• Maximal score value: 1.7147
• Average score: -0.4324
• Total score value: -105.9312

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	0.7210
2	D	A	-1.6778
3	G	A	-0.8015
4	T	A	-0.4904
5	R	A	-1.8698
6	T	A	-0.4435
7	S	A	0.0580
8	L	A	1.1769
9	D	A	-1.3758
10	I	A	0.0202
11	E	A	-1.8238
12	E	A	-0.9705
13	Y	A	0.2071
14	S	A	-0.3688
15	D	A	-1.2971
16	T	A	-0.6098
17	E	A	-1.6558
18	V	A	0.6556
19	Q	A	0.0000
20	K	A	-1.6096
21	N	A	-1.6252
22	Q	A	-0.4805
23	V	A	1.7147
24	L	A	0.5745
25	T	A	0.1760
26	L	A	0.5856
27	E	A	-1.9030
28	E	A	-1.8920
29	W	A	0.0000
30	Q	A	-0.6321
31	D	A	-1.8817
32	K	A	-0.9422
33	W	A	0.0000
34	V	A	1.3596
35	N	A	-1.0361
36	G	A	-0.9914
37	K	A	-1.8330
38	T	A	-0.3061
39	A	A	0.1505
40	F	A	0.5151
41	H	A	-0.1107
42	Q	A	-0.8545
43	E	A	-2.1257
44	Q	A	-1.5241
45	G	A	0.0000
46	H	A	0.0000
47	Q	A	-1.2716
48	L	A	0.0000
49	L	A	0.0000
50	K	A	-1.7707
51	K	A	-1.9649
52	H	A	-0.4441
53	L	A	0.0000
54	D	A	-1.7979
55	T	A	-0.3681
56	F	A	0.0000
57	L	A	0.0000
58	K	A	-1.7846
59	G	A	-0.9123
60	K	A	-0.8920
61	S	A	-0.4371
62	G	A	-0.4774
63	L	A	-0.0453
64	R	A	-0.6113
65	V	A	0.0000
66	F	A	0.0000
67	V	A	0.0000	mutated: FV67A
68	P	A	0.0000
69	L	A	0.2384
70	C	A	0.0000
71	G	A	0.0000
72	K	A	-0.2167
73	A	A	0.0054
74	V	A	0.2055
75	E	A	0.0000
76	M	A	0.0000
77	K	A	-0.2949
78	W	A	0.0842
79	F	A	0.0000
80	A	A	-0.3461
81	D	A	-2.1180
82	R	A	-2.2477
83	G	A	-0.7972
84	H	A	0.0000
85	S	A	-0.1874
86	V	A	0.0000
87	V	A	0.0000
88	G	A	0.0000
89	V	A	0.0000
90	E	A	0.0000
91	I	A	0.2491
92	S	A	0.0000
93	E	A	-0.7248
94	L	A	0.4293
95	G	A	0.0000
96	I	A	0.0000
97	Q	A	-1.0461
98	E	A	-1.5955
99	F	A	0.0000
100	F	A	0.0000
101	T	A	-0.5429
102	E	A	-1.8675
103	Q	A	-0.7487
104	N	A	-1.2522
105	L	A	0.0372
106	S	A	-0.0868
107	Y	A	0.3047
108	S	A	-0.4371
109	E	A	-1.9487
110	E	A	-1.9625
111	P	A	-0.6412
112	I	A	0.0000
113	T	A	-0.2992
114	E	A	-1.2831
115	I	A	0.0000
116	P	A	-0.3390
117	G	A	-0.5143
118	T	A	-0.2199
119	K	A	-0.7275
120	V	A	0.0000
121	F	A	0.0000
122	K	A	-0.7011
123	S	A	0.0000
124	S	A	-0.2510
125	S	A	-0.3340
126	G	A	-0.5610
127	N	A	-0.4096
128	I	A	0.0000
129	S	A	0.0000
130	L	A	0.0000
131	Y	A	0.1645
132	C	A	0.0000
133	C	A	0.0000
134	S	A	-0.0221
135	I	A	0.0000
136	F	A	0.6380
137	D	A	-0.3286
138	L	A	0.0000
139	P	A	-0.5439
140	R	A	-1.8839
141	T	A	-0.5716
142	N	A	-1.2745
143	I	A	0.0000
144	G	A	-0.5588
145	K	A	-1.7454
146	F	A	0.0000
147	D	A	-0.8810
148	M	A	0.0000
149	I	A	0.0000
150	W	A	0.0000
151	D	A	0.0000
152	R	A	-0.4363
153	G	A	-0.1999
154	A	A	0.0000
155	L	A	0.0000
156	V	A	0.0000
157	A	A	0.0000
158	I	A	0.0000
159	N	A	-0.1660
160	P	A	-0.1451
161	G	A	-0.5800
162	D	A	-0.6858
163	R	A	0.0000
164	K	A	-1.0235
165	C	A	0.3358
166	Y	A	0.0000
167	A	A	0.0000
168	D	A	-1.5465
169	T	A	0.0000
170	M	A	0.0000
171	F	A	0.3110
172	S	A	-0.0550
173	L	A	0.0000
174	L	A	0.0000
175	G	A	-0.4268
176	K	A	-2.0297
177	K	A	-2.0077
178	F	A	0.0000
179	Q	A	-0.1579
180	Y	A	0.0000
181	L	A	0.0000
182	L	A	0.0000
183	C	A	0.0000
184	V	A	0.0000
185	L	A	0.1549
186	S	A	0.0092
187	Y	A	0.0000
188	D	A	-0.2714
189	P	A	0.0000
190	T	A	-0.3705
191	K	A	-1.7309
192	H	A	-0.4503
193	P	A	-0.2534
194	G	A	-0.1424
195	P	A	-0.0953
196	P	A	-0.0669
197	F	A	0.0000
198	Y	A	0.0000
199	V	A	0.0000
200	P	A	0.0000
201	H	A	-0.3176
202	A	A	-0.0413
203	E	A	-0.3418
204	I	A	0.0000
205	E	A	-1.4553
206	R	A	-1.4348
207	L	A	0.0000
208	F	A	0.0000
209	G	A	-0.5593
210	K	A	-1.4662
211	I	A	1.0791
212	C	A	0.0000
213	N	A	-1.0959
214	I	A	-0.0828
215	R	A	-1.7111
216	C	A	0.0046
217	L	A	0.3830
218	E	A	-0.4946
219	K	A	-1.6854
220	V	A	-0.1637
221	D	A	-1.6365
222	A	A	-0.2244
223	F	A	0.1680
224	E	A	-2.0575
225	E	A	-2.4760
226	R	A	-2.1878
227	H	A	-0.7421
228	K	A	-1.7575
229	S	A	-0.4761
230	W	A	0.1136
231	G	A	-0.4244
232	I	A	0.0000
233	D	A	-1.7477
234	C	A	-0.0937
235	L	A	0.0000
236	F	A	0.2416
237	E	A	-0.1453
238	K	A	-0.4596
239	L	A	0.0000
240	Y	A	0.0000
241	L	A	0.0000
242	L	A	0.0000
243	T	A	-0.0730
244	E	A	-0.6311
245	K	A	-1.7580