Project name: RVAC_29_03_2026 [mutate: YF5A]

Chain sequence(s)	A: MDTPYANSTQEEPFLTSTLCLYYPTEAATEINDTEWKDTLSQLFLTKGWPTGSVYFKEYTDIASFSVDPQLYCDYNIVLMKYDSNLELDMSELADLILNEWLCNPMDITLYYYQQTDEANKWISMGSSCTIKVCPLNTQTLGIGCLTTDTNTFEEVATAEKLVITDVVDGVNHKLDVTTNTCTIRNCKKLGPRENVAVIQVGGSNILDITADPTTAPQTERMMRINWKKWWQVFYTVVDYVNQIVQVMSKRSRSLNSAAFYYRV
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	YF5A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.131479 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:01:18)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:21)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:29)

• Minimal score value: -3.1491
• Maximal score value: 2.6181
• Average score: -0.5745
• Total score value: -151.6677

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	0.1615
2	D	A	-1.1498
3	T	A	-0.3183
4	P	A	0.0963
5	F	A	1.1941	mutated: YF5A
6	A	A	0.2152
7	N	A	-1.0256
8	S	A	-1.2510
9	T	A	-2.0733
10	Q	A	-3.0287
11	E	A	-3.1491
12	E	A	-2.7567
13	P	A	-1.6142
14	F	A	-0.3132
15	L	A	0.8194
16	T	A	0.4337
17	S	A	0.0000
18	T	A	0.2343
19	L	A	0.0000
20	C	A	0.0000
21	L	A	0.0000
22	Y	A	0.0000
23	Y	A	0.0000
24	P	A	0.0000
25	T	A	-0.9512
26	E	A	-1.1093
27	A	A	0.0000
28	A	A	-1.0366
29	T	A	-1.1068
30	E	A	-1.3350
31	I	A	0.0000
32	N	A	-2.0877
33	D	A	-2.0875
34	T	A	-1.9782
35	E	A	-3.0514
36	W	A	0.0000
37	K	A	-2.1481
38	D	A	-2.9892
39	T	A	-1.9008
40	L	A	0.0000
41	S	A	-1.3637
42	Q	A	-1.4554
43	L	A	-0.5772
44	F	A	0.0000
45	L	A	-0.1216
46	T	A	-0.4175
47	K	A	-0.7229
48	G	A	-0.2579
49	W	A	0.0000
50	P	A	0.0478
51	T	A	-0.5484
52	G	A	-0.3061
53	S	A	0.0000
54	V	A	0.2449
55	Y	A	0.2946
56	F	A	-0.1638
57	K	A	-1.1306
58	E	A	-1.4547
59	Y	A	0.0000
60	T	A	-0.7696
61	D	A	-0.9383
62	I	A	0.0000
63	A	A	0.0000
64	S	A	-0.6095
65	F	A	0.0000
66	S	A	0.0000
67	V	A	-0.2886
68	D	A	-1.8133
69	P	A	-1.1784
70	Q	A	-1.3578
71	L	A	0.0000
72	Y	A	0.8431
73	C	A	0.0000
74	D	A	-0.7162
75	Y	A	0.0000
76	N	A	0.0000
77	I	A	0.0000
78	V	A	0.0000
79	L	A	0.0000
80	M	A	0.0000
81	K	A	-0.7826
82	Y	A	-1.0356
83	D	A	-1.5217
84	S	A	-1.7651
85	N	A	-1.8645
86	L	A	-1.7447
87	E	A	-2.8020
88	L	A	0.0000
89	D	A	-2.4835
90	M	A	0.0000
91	S	A	-1.2042
92	E	A	-1.2097
93	L	A	0.0000
94	A	A	0.0000
95	D	A	-1.4226
96	L	A	0.0000
97	I	A	0.0000
98	L	A	0.0000
99	N	A	-0.7760
100	E	A	-0.7160
101	W	A	-0.3112
102	L	A	0.6270
103	C	A	-0.1884
104	N	A	-1.4544
105	P	A	-1.3734
106	M	A	0.0000
107	D	A	-0.5283
108	I	A	0.3662
109	T	A	0.7645
110	L	A	2.0303
111	Y	A	2.0331
112	Y	A	1.2989
113	Y	A	0.2622
114	Q	A	-0.9162
115	Q	A	0.0000
116	T	A	-1.6823
117	D	A	-2.6364
118	E	A	-2.9336
119	A	A	-1.9666
120	N	A	0.0000
121	K	A	-1.9795
122	W	A	0.0000
123	I	A	0.0000
124	S	A	0.0000
125	M	A	0.0000
126	G	A	-0.8268
127	S	A	-0.8427
128	S	A	-0.8933
129	C	A	0.0000
130	T	A	-0.6227
131	I	A	0.0000
132	K	A	-1.7393
133	V	A	0.0000
134	C	A	0.0000
135	P	A	0.5376
136	L	A	0.0000
137	N	A	-0.3028
138	T	A	-0.7691
139	Q	A	-1.0875
140	T	A	-0.0903
141	L	A	1.0665
142	G	A	1.1802
143	I	A	1.9142
144	G	A	0.6265
145	C	A	0.6613
146	L	A	1.5052
147	T	A	0.6888
148	T	A	0.0195
149	D	A	-0.5858
150	T	A	-1.2876
151	N	A	-1.8642
152	T	A	-1.1613
153	F	A	0.0000
154	E	A	-2.7681
155	E	A	-2.3662
156	V	A	-0.6705
157	A	A	0.0000
158	T	A	-0.5481
159	A	A	-0.5852
160	E	A	-1.5419
161	K	A	-1.4916
162	L	A	0.0000
163	V	A	0.0000
164	I	A	-0.4370
165	T	A	0.0000
166	D	A	-1.8051
167	V	A	-0.6786
168	V	A	0.0425
169	D	A	-2.1251
170	G	A	-1.1680
171	V	A	-0.4015
172	N	A	-0.4451
173	H	A	0.0000
174	K	A	0.3387
175	L	A	0.0000
176	D	A	-1.2429
177	V	A	0.0000
178	T	A	-0.6434
179	T	A	-0.8058
180	N	A	-1.3945
181	T	A	-0.9118
182	C	A	0.0000
183	T	A	-0.6910
184	I	A	0.0000
185	R	A	-1.2143
186	N	A	-1.2385
187	C	A	0.0000
188	K	A	-1.5496
189	K	A	-1.1741
190	L	A	0.0383
191	G	A	-0.5822
192	P	A	-1.2719
193	R	A	-1.3543
194	E	A	-1.9949
195	N	A	-1.3059
196	V	A	0.0000
197	A	A	0.0000
198	V	A	0.0000
199	I	A	0.0000
200	Q	A	0.0000
201	V	A	0.0000
202	G	A	-1.2665
203	G	A	-0.8959
204	S	A	-0.4134
205	N	A	-0.6817
206	I	A	0.9851
207	L	A	0.3001
208	D	A	-0.9646
209	I	A	-0.7817
210	T	A	-0.7118
211	A	A	-1.2321
212	D	A	-1.9644
213	P	A	-1.4952
214	T	A	-0.9030
215	T	A	-0.8482
216	A	A	-0.8555
217	P	A	-1.2999
218	Q	A	-1.9840
219	T	A	-1.5350
220	E	A	-2.4315
221	R	A	-1.4790
222	M	A	0.0000
223	M	A	-0.7601
224	R	A	-1.1235
225	I	A	0.0000
226	N	A	-1.8819
227	W	A	-1.5259
228	K	A	-2.2478
229	K	A	-1.8048
230	W	A	0.0000
231	W	A	-0.4499
232	Q	A	-0.8377
233	V	A	0.0000
234	F	A	0.0000
235	Y	A	0.2670
236	T	A	-0.2120
237	V	A	0.0000
238	V	A	0.0000
239	D	A	-1.3774
240	Y	A	-0.3409
241	V	A	0.0000
242	N	A	-1.0993
243	Q	A	-0.9991
244	I	A	-0.3696
245	V	A	0.0000
246	Q	A	-1.0059
247	V	A	0.0313
248	M	A	0.0000
249	S	A	-1.2884
250	K	A	-1.8419
251	R	A	-1.8590
252	S	A	-1.6754
253	R	A	-2.0827
254	S	A	-1.0591
255	L	A	0.0740
256	N	A	-0.6056
257	S	A	-0.1292
258	A	A	0.4544
259	A	A	1.3971
260	F	A	2.5826
261	Y	A	2.6181
262	Y	A	2.0962
263	R	A	0.2966
264	V	A	1.3961