Project name: Os04t0682050-01 [mutate: FV30A]

Chain sequence(s)	A: MAATAAALAVTDELALPLRAVGDLAAAAGFSREEVVVITQCASLGGKLPFDDASVGSVLAVIKKVENLGDLFITEISRVLKAGGMVLIQSSPSDQDPNNSIQRKLLLGGFVDVQASAASSQDSEHSVTIKAKKVSWSMGSSFPLKKATKGLPKIQIDDDSELIDEDSLLTEDDLKKPELPVVGDCEVGATRKACKNCTCGRAEAEEKVEKLNLTSEQINNPQSACGNCGLGDAFRCGTCPYRGLPAFKPGEKIALPGNFLAADL
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	FV30A
Energy difference between WT (input) and mutated protein (by FoldX)	0.522258 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                                                       (00:03:15)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:03:18)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:57)

• Minimal score value: -3.8692
• Maximal score value: 2.2546
• Average score: -0.9486
• Total score value: -250.4266

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	1.0809
2	A	A	-0.1033
3	A	A	-0.0139
4	T	A	-0.3371
5	A	A	0.0000
6	A	A	-0.6517
7	A	A	0.0000
8	L	A	0.0000
9	A	A	0.0000
10	V	A	0.0000
11	T	A	0.0000
12	D	A	-1.2711
13	E	A	-1.2008
14	L	A	0.7478
15	A	A	0.6263
16	L	A	0.3899
17	P	A	-0.0194
18	L	A	0.2452
19	R	A	-1.8109
20	A	A	-1.0492
21	V	A	0.0000
22	G	A	-1.8718
23	D	A	-2.3142
24	L	A	0.0000
25	A	A	0.0000
26	A	A	-0.9733
27	A	A	-0.5585
28	A	A	-0.3927
29	G	A	-0.6853
30	V	A	-1.2462	mutated: FV30A
31	S	A	-2.1137
32	R	A	-3.3916
33	E	A	-3.3952
34	E	A	-2.8241
35	V	A	-1.0381
36	V	A	0.6224
37	V	A	1.6515
38	I	A	0.8917
39	T	A	0.1920
40	Q	A	-0.5235
41	C	A	0.0000
42	A	A	-1.0837
43	S	A	-0.4843
44	L	A	-0.2932
45	G	A	-0.6038
46	G	A	-0.9719
47	K	A	-1.6553
48	L	A	0.0000
49	P	A	-1.0886
50	F	A	0.0000
51	D	A	-2.7901
52	D	A	-3.0730
53	A	A	-2.0130
54	S	A	-1.5756
55	V	A	0.0000
56	G	A	-0.4550
57	S	A	-0.3583
58	V	A	0.0000
59	L	A	0.0000
60	A	A	0.0000
61	V	A	0.0000
62	I	A	0.0000
63	K	A	-2.3893
64	K	A	-2.6924
65	V	A	-1.7199
66	E	A	-2.6447
67	N	A	-1.9223
68	L	A	0.0000
69	G	A	-1.3727
70	D	A	-1.6440
71	L	A	-0.4459
72	F	A	0.0000
73	I	A	0.0000
74	T	A	-0.5590
75	E	A	0.0000
76	I	A	0.0000
77	S	A	-0.8357
78	R	A	-1.8415
79	V	A	0.0000
80	L	A	0.0000
81	K	A	-1.6928
82	A	A	-0.6640
83	G	A	-0.4580
84	G	A	0.0000
85	M	A	-0.6228
86	V	A	0.0000
87	L	A	0.0000
88	I	A	0.0000
89	Q	A	-0.4769
90	S	A	0.0000
91	S	A	-1.4305
92	P	A	-1.7844
93	S	A	-2.0928
94	D	A	-2.9298
95	Q	A	-3.2154
96	D	A	-3.3367
97	P	A	-2.4314
98	N	A	-2.3878
99	N	A	-2.8409
100	S	A	-2.0436
101	I	A	0.0000
102	Q	A	-1.8658
103	R	A	-2.0636
104	K	A	-1.5114
105	L	A	0.0000
106	L	A	0.3185
107	L	A	0.7991
108	G	A	-0.0871
109	G	A	0.0904
110	F	A	0.0000
111	V	A	-0.3875
112	D	A	-1.8903
113	V	A	-1.5189
114	Q	A	-1.8845
115	A	A	-1.2487
116	S	A	-0.6464
117	A	A	-0.3686
118	A	A	-0.7594
119	S	A	-1.5655
120	S	A	-2.1288
121	Q	A	-2.6547
122	D	A	-3.1928
123	S	A	-2.5230
124	E	A	-3.0909
125	H	A	-2.3201
126	S	A	-1.2576
127	V	A	0.0000
128	T	A	-0.5932
129	I	A	0.0000
130	K	A	-1.2820
131	A	A	0.0000
132	K	A	-1.2523
133	K	A	-0.7950
134	V	A	-0.0380
135	S	A	0.0918
136	W	A	1.0594
137	S	A	0.5687
138	M	A	0.8848
139	G	A	0.2152
140	S	A	0.4855
141	S	A	0.9313
142	F	A	1.9225
143	P	A	0.6814
144	L	A	0.5896
145	K	A	-1.5863
146	K	A	-2.2790
147	A	A	-1.6129
148	T	A	-1.5233
149	K	A	-1.9063
150	G	A	-1.0256
151	L	A	0.2902
152	P	A	-0.2922
153	K	A	-0.6880
154	I	A	1.1271
155	Q	A	-0.8194
156	I	A	-0.0299
157	D	A	-2.9200
158	D	A	-3.2907
159	D	A	-3.4639
160	S	A	-2.0841
161	E	A	-1.7496
162	L	A	0.6314
163	I	A	0.8593
164	D	A	-1.7874
165	E	A	-2.1963
166	D	A	-2.1553
167	S	A	-1.0993
168	L	A	0.1491
169	L	A	-0.6753
170	T	A	-1.5579
171	E	A	-2.8266
172	D	A	-3.7756
173	D	A	-2.9827
174	L	A	-1.8911
175	K	A	-3.7933
176	K	A	-3.0587
177	P	A	-2.2355
178	E	A	-1.6818
179	L	A	0.8987
180	P	A	1.2803
181	V	A	2.2546
182	V	A	2.1965
183	G	A	0.1659
184	D	A	-1.1402
185	C	A	-0.2563
186	E	A	-1.2738
187	V	A	0.1305
188	G	A	-0.3976
189	A	A	-0.7378
190	T	A	-1.1528
191	R	A	-2.3188
192	K	A	-2.7055
193	A	A	-2.3290
194	C	A	-1.2784
195	K	A	-2.1686
196	N	A	-1.7243
197	C	A	-1.2880
198	T	A	-0.6384
199	C	A	-0.2064
200	G	A	-1.2798
201	R	A	-2.6614
202	A	A	-2.7243
203	E	A	-3.3692
204	A	A	-2.6271
205	E	A	-2.9884
206	E	A	-3.8692
207	K	A	-3.2643
208	V	A	-1.0233
209	E	A	-2.9636
210	K	A	-2.7121
211	L	A	-0.4503
212	N	A	-1.4559
213	L	A	-0.9305
214	T	A	-1.2897
215	S	A	-1.5006
216	E	A	-2.6723
217	Q	A	-2.4507
218	I	A	-1.7612
219	N	A	-2.8720
220	N	A	-3.4244
221	P	A	-2.6217
222	Q	A	-2.1427
223	S	A	-0.8785
224	A	A	-0.1673
225	C	A	0.4141
226	G	A	-0.3780
227	N	A	0.0507
228	C	A	0.0000
229	G	A	-0.5294
230	L	A	1.2216
231	G	A	0.0866
232	D	A	-0.6993
233	A	A	0.5358
234	F	A	1.8037
235	R	A	0.0000
236	C	A	0.5399
237	G	A	-0.3375
238	T	A	-0.2166
239	C	A	-0.3140
240	P	A	-0.2838
241	Y	A	0.0000
242	R	A	-1.9825
243	G	A	-1.4501
244	L	A	-0.7485
245	P	A	-0.5072
246	A	A	-0.2383
247	F	A	0.0000
248	K	A	-2.5212
249	P	A	-2.6692
250	G	A	-2.8574
251	E	A	-3.3436
252	K	A	-3.0464
253	I	A	0.0000
254	A	A	-0.4841
255	L	A	0.1894
256	P	A	-0.1876
257	G	A	-0.5155
258	N	A	-0.7663
259	F	A	0.5271
260	L	A	1.3061
261	A	A	0.3522
262	A	A	0.0200
263	D	A	-0.8356
264	L	A	0.7059