Project name: RVAC_17_03_2026 [mutate: SE11A]

Chain sequence(s)	A: MDTPYANSTQSEPFLTSTLCLYYPTEAATEINDTEWKDTLSQLFLTKGWPTGSVYFKEYTDIASFSVDPQLYCDYNIVLMKYDSNLELDMSELADLILNEWLCNPMDITLYYYQQTDEANKWISMGSSCTIKVCPLNTQTLGIGCLTTDTNTFEEVATAEKLVITDVVDGVNHKLDVTTNTCTIRNCKKLGPRENVAVIQVGGSNILDITADPTTAPQTERMMRINWKKWWQVFYTVVDYVNQIVQVMSKRSRSLNSAAFYYRV
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	SE11A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.326907 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                                                       (00:02:10)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:18)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:35)

• Minimal score value: -3.6325
• Maximal score value: 2.6881
• Average score: -0.6045
• Total score value: -159.583

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	0.1256
2	D	A	-1.1955
3	T	A	-0.4374
4	P	A	-0.2023
5	Y	A	0.5259
6	A	A	-0.0867
7	N	A	-1.1812
8	S	A	-1.3415
9	T	A	-2.1296
10	Q	A	-2.9971
11	E	A	-3.1857	mutated: SE11A
12	E	A	-2.7769
13	P	A	-1.6889
14	F	A	0.0315
15	L	A	0.9451
16	T	A	0.5179
17	S	A	0.0000
18	T	A	0.2402
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	-1.4474
26	E	A	-1.8880
27	A	A	0.0000
28	A	A	-1.5480
29	T	A	-1.6773
30	E	A	-2.4848
31	I	A	0.0000
32	N	A	-2.4070
33	D	A	-2.1584
34	T	A	-1.9504
35	E	A	-3.0484
36	W	A	0.0000
37	K	A	-2.2221
38	D	A	-3.0341
39	T	A	-1.9410
40	L	A	0.0000
41	S	A	-1.3797
42	Q	A	-1.4834
43	L	A	-0.6523
44	F	A	0.0000
45	L	A	-0.0885
46	T	A	-0.2849
47	K	A	-0.8800
48	G	A	-0.2290
49	W	A	0.0000
50	P	A	-0.0237
51	T	A	-0.4304
52	G	A	-0.2689
53	S	A	0.0000
54	V	A	0.3505
55	Y	A	0.3961
56	F	A	-0.2623
57	K	A	-1.4709
58	E	A	-2.2633
59	Y	A	0.0000
60	T	A	-0.8494
61	D	A	-0.8558
62	I	A	0.0000
63	A	A	0.0000
64	S	A	-0.5555
65	F	A	0.0000
66	S	A	0.0000
67	V	A	-0.3205
68	D	A	-1.8677
69	P	A	-1.1968
70	Q	A	-1.2465
71	L	A	0.0000
72	Y	A	0.8257
73	C	A	0.0000
74	D	A	-1.1766
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	-1.3145
82	Y	A	-1.1798
83	D	A	-1.9828
84	S	A	-1.8655
85	N	A	-2.0116
86	L	A	-2.1367
87	E	A	-2.8506
88	L	A	0.0000
89	D	A	-2.8048
90	M	A	0.0000
91	S	A	-1.4496
92	E	A	-1.9357
93	L	A	0.0000
94	A	A	0.0000
95	D	A	-1.8202
96	L	A	0.0000
97	I	A	0.0000
98	L	A	-1.1426
99	N	A	0.0000
100	E	A	-0.8980
101	W	A	-0.0139
102	L	A	0.8900
103	C	A	-0.2502
104	N	A	-1.5451
105	P	A	-1.5295
106	M	A	0.0000
107	D	A	-1.0143
108	I	A	0.1435
109	T	A	0.6825
110	L	A	2.0146
111	Y	A	1.9758
112	Y	A	1.1735
113	Y	A	0.1427
114	Q	A	-1.2211
115	Q	A	0.0000
116	T	A	-2.1392
117	D	A	-3.6325
118	E	A	-3.3634
119	A	A	-2.0618
120	N	A	0.0000
121	K	A	-2.0977
122	W	A	0.0000
123	I	A	0.0000
124	S	A	0.0000
125	M	A	-0.2142
126	G	A	-0.6939
127	S	A	-0.7844
128	S	A	-0.7907
129	C	A	0.0000
130	T	A	-0.3881
131	I	A	0.0000
132	K	A	-1.4226
133	V	A	0.0000
134	C	A	0.0000
135	P	A	0.5340
136	L	A	0.0000
137	N	A	-0.4393
138	T	A	-0.8064
139	Q	A	-1.1529
140	T	A	-0.0119
141	L	A	0.9812
142	G	A	1.2255
143	I	A	2.1038
144	G	A	0.6676
145	C	A	0.6247
146	L	A	1.4348
147	T	A	0.6372
148	T	A	0.0397
149	D	A	-0.5791
150	T	A	-1.2465
151	N	A	-1.8165
152	T	A	-1.1515
153	F	A	0.0000
154	E	A	-2.5106
155	E	A	-1.8646
156	V	A	-0.1120
157	A	A	0.0000
158	T	A	-0.4717
159	A	A	-0.4235
160	E	A	-1.0853
161	K	A	-1.3753
162	L	A	0.0000
163	V	A	0.0000
164	I	A	-0.1400
165	T	A	0.0000
166	D	A	-1.8388
167	V	A	-0.7313
168	V	A	-0.1022
169	D	A	-2.4547
170	G	A	-1.3643
171	V	A	-0.3705
172	N	A	-0.4446
173	H	A	0.0000
174	K	A	0.2237
175	L	A	0.0000
176	D	A	-1.1920
177	V	A	0.0000
178	T	A	-0.6383
179	T	A	-0.9246
180	N	A	-1.3854
181	T	A	-0.8946
182	C	A	0.0000
183	T	A	-0.5994
184	I	A	0.0000
185	R	A	-1.4308
186	N	A	-1.3899
187	C	A	0.0000
188	K	A	-1.4211
189	K	A	-0.9481
190	L	A	0.4966
191	G	A	-0.2910
192	P	A	-1.1599
193	R	A	-1.5480
194	E	A	-2.3531
195	N	A	0.0000
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	-1.2072
203	G	A	-0.7661
204	S	A	-0.4248
205	N	A	-0.4876
206	I	A	1.3233
207	L	A	0.6958
208	D	A	-0.2981
209	I	A	0.8701
210	T	A	0.0186
211	A	A	-0.9773
212	D	A	-1.5409
213	P	A	-1.2542
214	T	A	-0.9061
215	T	A	-0.8606
216	A	A	-0.5933
217	P	A	-0.8895
218	Q	A	-1.9032
219	T	A	-1.5454
220	E	A	-2.4259
221	R	A	-1.6782
222	M	A	-0.8187
223	M	A	-0.2604
224	R	A	-0.3451
225	I	A	0.0000
226	N	A	-1.6336
227	W	A	-1.1137
228	K	A	-2.2848
229	K	A	-2.4739
230	W	A	0.0000
231	W	A	-0.5292
232	Q	A	-0.5529
233	V	A	0.0000
234	F	A	0.0000
235	Y	A	0.3752
236	T	A	-0.0964
237	V	A	0.0000
238	V	A	0.0000
239	D	A	-1.3218
240	Y	A	-0.1883
241	V	A	0.0000
242	N	A	-1.3852
243	Q	A	-1.1954
244	I	A	0.0000
245	V	A	0.0000
246	Q	A	-1.4727
247	V	A	-0.6182
248	M	A	0.0000
249	S	A	-1.7765
250	K	A	-2.7820
251	R	A	-2.6003
252	S	A	-2.0165
253	R	A	-2.3825
254	S	A	-1.0298
255	L	A	0.0963
256	N	A	-1.0622
257	S	A	-0.0972
258	A	A	0.5532
259	A	A	1.4387
260	F	A	2.6881
261	Y	A	2.5883
262	Y	A	2.0490
263	R	A	0.2185
264	V	A	1.3882