Project name: RVAC_29_03_2026 [mutate: YH5A] [mutate: LM15A] [mutate: TD16A] [mutate: VI54A] [mutate: YK55A] [mutate: YK72A] [mutate: LN102A] [mutate: IV108A] [mutate: TS109A] [mutate: LM110A] [mutate: YF111A] [mutate: YQ112A] [mutate: FK111A] [mutate: VM168A] [mutate: LR207A] [mutate: IV206A] [mutate: VA206A] [mutate: YH235A] [mutate: VI247A] [mutate: LI255A] [mutate: IV255A] [mutate: AS258A] [mutate: VI255A] [mutate: SN258A] [mutate: IR255A] [mutate: YF261A] [mutate: VT264A] [mutate: FR261A] [mutate: YQ262A] [mutate: LT146A] [mutate: IS143A] [mutate: ST143A] [mutate: LD141A] [mutate: DL2A] [mutate: LR2A] [mutate: RT2A] [mutate: TS2A] [mutate: TN3A]

Chain sequence(s)	A: MSTPHANSTQEEPFMDSTLCLYYPTEAATEINDTEWKDTLSQLFLTKGWPTGSIKFKEYTDIASFSVDPQLKCDYNIVLMKYDSNLELDMSELADLILNEWNCNPMDVSMKQYQQTDEANKWISMGSSCTIKVCPLNTQTDGTGCTTTDTNTFEEVATAEKLVITDVMDGVNHKLDVTTNTCTIRNCKKLGPRENVAVIQVGGSNARDITADPTTAPQTERMMRINWKKWWQVFHTVVDYVNQIVQIMSKRSRSRNSNAFRQRT
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	TN3A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.00858698 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                                                       (00:01:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:11)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:20)

• Minimal score value: -3.4209
• Maximal score value: 0.603
• Average score: -1.0433
• Total score value: -275.4209

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	0.6030
2	S	A	-0.5338
3	N	A	-1.4644	mutated: TN3A
4	P	A	-1.4404
5	H	A	-1.8317
6	A	A	-1.3758
7	N	A	-1.8904
8	S	A	-1.7193
9	T	A	-2.0739
10	Q	A	-3.0302
11	E	A	-3.2558
12	E	A	-3.1823
13	P	A	-2.2026
14	F	A	-1.1827
15	M	A	-0.7650
16	D	A	-1.6582
17	S	A	0.0000
18	T	A	-1.0353
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	-0.8448
26	E	A	-1.0671
27	A	A	0.0000
28	A	A	-0.9842
29	T	A	-1.1035
30	E	A	-1.3320
31	I	A	0.0000
32	N	A	-2.0777
33	D	A	-2.0622
34	T	A	-1.9614
35	E	A	-3.0318
36	W	A	0.0000
37	K	A	-2.3599
38	D	A	-2.9769
39	T	A	-1.9046
40	L	A	0.0000
41	S	A	-1.6381
42	Q	A	-1.4799
43	L	A	-0.8215
44	F	A	0.0000
45	L	A	-0.1374
46	T	A	-0.4153
47	K	A	-0.7012
48	G	A	-0.3211
49	W	A	0.0000
50	P	A	-0.3891
51	T	A	-0.7343
52	G	A	-0.6739
53	S	A	-0.6726
54	I	A	0.0000
55	K	A	-1.3667
56	F	A	0.0000
57	K	A	-1.4233
58	E	A	-1.3279
59	Y	A	0.0000
60	T	A	-0.7039
61	D	A	-0.9043
62	I	A	0.0000
63	A	A	0.0000
64	S	A	-0.5883
65	F	A	0.0000
66	S	A	0.0000
67	V	A	-0.2163
68	D	A	-1.7886
69	P	A	-1.5699
70	Q	A	-2.1812
71	L	A	0.0000
72	K	A	-2.1723
73	C	A	0.0000
74	D	A	-1.6310
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	-0.7572
82	Y	A	-1.0025
83	D	A	-1.5068
84	S	A	-1.7583
85	N	A	-1.8595
86	L	A	-1.7421
87	E	A	-2.8030
88	L	A	0.0000
89	D	A	-2.4657
90	M	A	0.0000
91	S	A	-1.1515
92	E	A	-1.1525
93	L	A	0.0000
94	A	A	0.0000
95	D	A	-1.2047
96	L	A	0.0000
97	I	A	0.0000
98	L	A	-0.8664
99	N	A	-1.0525
100	E	A	-1.8846
101	W	A	-1.7757
102	N	A	-2.2536
103	C	A	-1.5569
104	N	A	-2.0782
105	P	A	-1.3775
106	M	A	0.0000
107	D	A	-1.6223
108	V	A	-0.9793
109	S	A	-0.5436
110	M	A	-0.0682
111	K	A	-1.4625
112	Q	A	-1.6475
113	Y	A	-1.2150
114	Q	A	-1.6292
115	Q	A	0.0000
116	T	A	-1.8005
117	D	A	-2.7688
118	E	A	-3.0523
119	A	A	-2.0178
120	N	A	0.0000
121	K	A	-1.9922
122	W	A	0.0000
123	I	A	0.0000
124	S	A	0.0000
125	M	A	0.0000
126	G	A	-0.8232
127	S	A	-0.8412
128	S	A	-0.8919
129	C	A	0.0000
130	T	A	-0.6305
131	I	A	0.0000
132	K	A	-1.7825
133	V	A	0.0000
134	C	A	0.0000
135	P	A	-0.9153
136	L	A	0.0000
137	N	A	-1.5890
138	T	A	-1.2731
139	Q	A	-1.9540
140	T	A	-1.8957
141	D	A	-2.3587
142	G	A	0.0000
143	T	A	-0.8254
144	G	A	-0.9069
145	C	A	-1.1547
146	T	A	-0.9708
147	T	A	-0.9929
148	T	A	-0.8628
149	D	A	-1.2746
150	T	A	-1.7198
151	N	A	-2.1648
152	T	A	-1.6471
153	F	A	0.0000
154	E	A	-2.7701
155	E	A	-2.3681
156	V	A	-0.6708
157	A	A	0.0000
158	T	A	-0.5474
159	A	A	-0.5852
160	E	A	-1.5436
161	K	A	-1.4919
162	L	A	0.0000
163	V	A	0.0000
164	I	A	-0.4388
165	T	A	0.0000
166	D	A	-1.9939
167	V	A	-1.0879
168	M	A	-0.8105
169	D	A	-2.5353
170	G	A	-1.3448
171	V	A	-0.7574
172	N	A	-1.4896
173	H	A	0.0000
174	K	A	-1.3905
175	L	A	0.0000
176	D	A	-1.3507
177	V	A	0.0000
178	T	A	-0.6524
179	T	A	-0.8240
180	N	A	-1.3924
181	T	A	-0.9091
182	C	A	0.0000
183	T	A	-0.6900
184	I	A	0.0000
185	R	A	-1.5493
186	N	A	-1.7065
187	C	A	0.0000
188	K	A	-2.6984
189	K	A	-1.9895
190	L	A	-1.1655
191	G	A	-0.9347
192	P	A	-1.1565
193	R	A	-1.3495
194	E	A	-2.0223
195	N	A	-1.3335
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	-1.2117
203	G	A	-1.3417
204	S	A	-1.1651
205	N	A	-1.9647
206	A	A	-1.5765
207	R	A	-1.8543
208	D	A	-2.1972
209	I	A	-1.4537
210	T	A	-1.0828
211	A	A	-1.2383
212	D	A	-1.9384
213	P	A	-1.3082
214	T	A	-0.8703
215	T	A	-0.8305
216	A	A	-0.8424
217	P	A	-1.1279
218	Q	A	-1.6782
219	T	A	-1.0525
220	E	A	-1.3657
221	R	A	-0.9583
222	M	A	0.0000
223	M	A	-0.5586
224	R	A	-1.1221
225	I	A	0.0000
226	N	A	-1.8317
227	W	A	-1.4776
228	K	A	-2.2388
229	K	A	-1.8092
230	W	A	0.0000
231	W	A	-0.7704
232	Q	A	-1.2990
233	V	A	0.0000
234	F	A	0.0000
235	H	A	-0.9901
236	T	A	-0.8313
237	V	A	0.0000
238	V	A	0.0000
239	D	A	-1.7068
240	Y	A	-0.4902
241	V	A	0.0000
242	N	A	-1.0643
243	Q	A	-0.9330
244	I	A	-0.3546
245	V	A	0.0000
246	Q	A	-1.0404
247	I	A	-0.0513
248	M	A	0.0000
249	S	A	-1.3544
250	K	A	-1.9345
251	R	A	-2.3017
252	S	A	-2.0711
253	R	A	-3.0596
254	S	A	-3.2012
255	R	A	-3.4209
256	N	A	-3.0490
257	S	A	-2.0341
258	N	A	-1.9701
259	A	A	-0.8222
260	F	A	-0.0279
261	R	A	-2.1755
262	Q	A	-2.4439
263	R	A	-2.7259
264	T	A	-1.5247