Project name: RVAC_29_03_2026 [mutate: YN5A] [mutate: TS16A, TS18A] [mutate: ST53A, VL54A] [mutate: YN55A]

Chain sequence(s)	A: MDTPNANSTQEEPFLSSSLCLYYPTEAATEINDTEWKDTLSQLFLTKGWPTGTLYFKEYTDIASFSVDPQLYCDYNIVLMKYDSNLELDMSELADLILNEWLCNPMDITLYYYQQTDEANKWISMGSSCTIKVCPLNTQTLGIGCLTTDTNTFEEVATAEKLVITDVVDGVNHKLDVTTNTCTIRNCKKLGPRENVAVIQVGGSNILDITADPTTAPQTERMMRINWKKWWQVFYTVVDYVNQIVQVMSKRSRSLNSAAFYYRV
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	YN55A
Energy difference between WT (input) and mutated protein (by FoldX)	1.11237 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                                                       (00:01:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:20)

• Minimal score value: -3.1952
• Maximal score value: 2.6181
• Average score: -0.6257
• Total score value: -165.1922

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	-1.5565
3	T	A	-1.1048
4	P	A	-1.4401
5	N	A	-2.0200
6	A	A	-1.3353
7	N	A	-1.9738
8	S	A	-1.7645
9	T	A	-2.0755
10	Q	A	-3.0578
11	E	A	-3.1952
12	E	A	-2.8691
13	P	A	-1.7798
14	F	A	0.0000
15	L	A	0.6246
16	S	A	0.2088
17	S	A	0.0000
18	S	A	-0.1283
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	-0.9459
26	E	A	-1.1069
27	A	A	0.0000
28	A	A	-1.0379
29	T	A	-1.1048
30	E	A	-1.3320
31	I	A	0.0000
32	N	A	-2.0872
33	D	A	-2.0862
34	T	A	-1.9765
35	E	A	-3.0472
36	W	A	0.0000
37	K	A	-2.2927
38	D	A	-2.9801
39	T	A	-1.8937
40	L	A	0.0000
41	S	A	-1.5411
42	Q	A	-1.4558
43	L	A	-0.5929
44	F	A	0.0000
45	L	A	-0.1698
46	T	A	-0.4586
47	K	A	-0.8486
48	G	A	-0.3816
49	W	A	0.0000
50	P	A	-0.0514
51	T	A	-0.6866
52	G	A	-0.5801
53	T	A	-0.2052
54	L	A	0.0000
55	N	A	-0.8540	mutated: YN55A
56	F	A	-0.7264
57	K	A	-1.3721
58	E	A	-1.5568
59	Y	A	0.0000
60	T	A	-0.7746
61	D	A	-0.9420
62	I	A	0.0000
63	A	A	0.0000
64	S	A	-0.6103
65	F	A	0.0000
66	S	A	0.0000
67	V	A	-0.2883
68	D	A	-1.8133
69	P	A	-1.1785
70	Q	A	-1.3490
71	L	A	0.0000
72	Y	A	0.8381
73	C	A	0.0000
74	D	A	-0.7454
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	-0.7798
82	Y	A	-1.0461
83	D	A	-1.5275
84	S	A	-1.7682
85	N	A	-1.8656
86	L	A	-1.7464
87	E	A	-2.8040
88	L	A	0.0000
89	D	A	-2.4847
90	M	A	0.0000
91	S	A	-1.2005
92	E	A	-1.2047
93	L	A	0.0000
94	A	A	0.0000
95	D	A	-1.4075
96	L	A	0.0000
97	I	A	0.0000
98	L	A	0.0000
99	N	A	-0.7792
100	E	A	-0.7260
101	W	A	-0.3217
102	L	A	0.6133
103	C	A	-0.1966
104	N	A	-1.4600
105	P	A	-1.3754
106	M	A	0.0000
107	D	A	-0.5177
108	I	A	0.3713
109	T	A	0.7687
110	L	A	2.0338
111	Y	A	2.0364
112	Y	A	1.3007
113	Y	A	0.2639
114	Q	A	-0.9161
115	Q	A	0.0000
116	T	A	-1.6910
117	D	A	-2.6522
118	E	A	-2.9429
119	A	A	-1.9812
120	N	A	0.0000
121	K	A	-1.9823
122	W	A	0.0000
123	I	A	0.0000
124	S	A	0.0000
125	M	A	0.0000
126	G	A	-0.8269
127	S	A	-0.8428
128	S	A	-0.8933
129	C	A	0.0000
130	T	A	-0.6215
131	I	A	0.0000
132	K	A	-1.7363
133	V	A	0.0000
134	C	A	0.0000
135	P	A	0.5383
136	L	A	0.0000
137	N	A	-0.3027
138	T	A	-0.7691
139	Q	A	-1.0875
140	T	A	-0.0903
141	L	A	1.0666
142	G	A	1.1782
143	I	A	1.9143
144	G	A	0.6264
145	C	A	0.6576
146	L	A	1.4983
147	T	A	0.6825
148	T	A	0.0096
149	D	A	-0.6062
150	T	A	-1.2960
151	N	A	-1.8696
152	T	A	-1.1665
153	F	A	0.0000
154	E	A	-2.7652
155	E	A	-2.3603
156	V	A	-0.6705
157	A	A	0.0000
158	T	A	-0.5474
159	A	A	-0.5852
160	E	A	-1.5418
161	K	A	-1.4917
162	L	A	0.0000
163	V	A	0.0000
164	I	A	-0.4348
165	T	A	0.0000
166	D	A	-1.8025
167	V	A	-0.6755
168	V	A	0.0423
169	D	A	-2.1273
170	G	A	-1.1701
171	V	A	-0.4009
172	N	A	-0.4446
173	H	A	0.0000
174	K	A	0.3394
175	L	A	0.0000
176	D	A	-1.2392
177	V	A	0.0000
178	T	A	-0.6428
179	T	A	-0.8055
180	N	A	-1.3945
181	T	A	-0.9118
182	C	A	0.0000
183	T	A	-0.6930
184	I	A	0.0000
185	R	A	-1.2275
186	N	A	-1.2473
187	C	A	0.0000
188	K	A	-1.5855
189	K	A	-1.1958
190	L	A	0.0205
191	G	A	-0.5970
192	P	A	-1.2763
193	R	A	-1.3601
194	E	A	-2.0032
195	N	A	-1.3091
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	-1.2272
203	G	A	-0.8842
204	S	A	-0.4183
205	N	A	-0.6846
206	I	A	0.9778
207	L	A	0.3053
208	D	A	-0.9707
209	I	A	-0.7627
210	T	A	-0.6967
211	A	A	-1.2377
212	D	A	-1.9580
213	P	A	-1.5002
214	T	A	-0.9080
215	T	A	-0.8528
216	A	A	-0.8621
217	P	A	-1.3060
218	Q	A	-1.9954
219	T	A	-1.5342
220	E	A	-2.4161
221	R	A	-1.4726
222	M	A	0.0000
223	M	A	-0.6861
224	R	A	-0.9711
225	I	A	0.0000
226	N	A	-1.8249
227	W	A	-1.4658
228	K	A	-2.2258
229	K	A	-1.7855
230	W	A	0.0000
231	W	A	-0.4427
232	Q	A	-0.8268
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	-1.4023
240	Y	A	-0.3695
241	V	A	0.0000
242	N	A	-1.2059
243	Q	A	-1.0293
244	I	A	-0.3891
245	V	A	0.0000
246	Q	A	-1.0243
247	V	A	0.0225
248	M	A	0.0000
249	S	A	-1.2876
250	K	A	-1.8436
251	R	A	-1.8553
252	S	A	-1.6725
253	R	A	-2.0828
254	S	A	-1.0644
255	L	A	0.0653
256	N	A	-0.6100
257	S	A	-0.1325
258	A	A	0.4528
259	A	A	1.3963
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