Project name: apa [mutate: PV110A]

Chain sequence(s)	A: PVRIDNPVGGFSFALPAGWVESDAAHFDYGSALLSKTTGDPPFPGQPPPVANDTRIVLGRLDQKLYATDSKAAARLGSDMGEFYMPYPGTRINQETVSLDANGVSGSASYYEVKFSDPSKPNGQIWTGVIGSPPQRWFVVWLGTANNPVDKGAAKALAESIRPLV
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	PV110A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.00174471 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                                                       (00:01:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:10)

• Minimal score value: -2.5747
• Maximal score value: 2.4408
• Average score: -0.6099
• Total score value: -100.6286

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
110	V	A	2.4408	mutated: PV110A
111	V	A	2.2598
112	R	A	0.0730
113	I	A	-0.4334
114	D	A	-1.7157
115	N	A	0.0000
116	P	A	0.2509
117	V	A	1.1529
118	G	A	0.0000
119	G	A	0.2276
120	F	A	0.0000
121	S	A	0.0000
122	F	A	0.0000
123	A	A	0.4063
124	L	A	0.8162
125	P	A	0.4650
126	A	A	0.4121
127	G	A	-0.3960
128	W	A	0.0000
129	V	A	-0.2060
130	E	A	-1.4955
131	S	A	-1.4575
132	D	A	-2.0338
133	A	A	-1.3468
134	A	A	-0.8140
135	H	A	-0.6102
136	F	A	-0.3253
137	D	A	-0.6927
138	Y	A	0.8298
139	G	A	0.0000
140	S	A	0.0000
141	A	A	0.0000
142	L	A	0.0000
143	L	A	0.0000
144	S	A	-1.0128
145	K	A	-0.9375
146	T	A	-0.7380
147	T	A	-0.8784
148	G	A	-1.3645
149	D	A	-1.9878
150	P	A	-1.1087
151	P	A	-0.3872
152	F	A	0.9597
153	P	A	-0.0338
154	G	A	-0.7534
155	Q	A	-1.1062
156	P	A	-0.6239
157	P	A	-0.5942
158	P	A	-0.6916
159	V	A	-0.0274
160	A	A	-0.7546
161	N	A	-1.4981
162	D	A	-1.3898
163	T	A	0.0000
164	R	A	-1.0215
165	I	A	0.0000
166	V	A	0.0000
167	L	A	0.0000
168	G	A	0.0000
169	R	A	-0.6112
170	L	A	0.0000
171	D	A	-1.5444
172	Q	A	-2.1800
173	K	A	-1.9340
174	L	A	-0.3057
175	Y	A	-0.3452
180	A	A	-0.4166
181	T	A	-0.6803
182	D	A	-1.3150
183	S	A	-1.2274
184	K	A	-1.6720
185	A	A	0.0000
186	A	A	0.0000
187	A	A	-1.4527
188	R	A	-2.2898
189	L	A	0.0000
190	G	A	0.0000
191	S	A	-1.4657
192	D	A	-1.9119
193	M	A	-0.6478
194	G	A	0.0000
195	E	A	-1.1679
196	F	A	0.8966
197	Y	A	0.5919
198	M	A	0.1294
199	P	A	-0.0011
200	Y	A	0.5112
201	P	A	-0.5672
202	G	A	-1.1944
203	T	A	-1.1563
204	R	A	-1.9375
205	I	A	-1.7290
206	N	A	-2.3790
207	Q	A	-2.5747
208	E	A	-2.0433
209	T	A	-0.8800
210	V	A	-0.6019
211	S	A	-0.7541
212	L	A	0.0000
213	D	A	-2.5582
214	A	A	0.0000
215	N	A	-2.1955
216	G	A	-1.6819
217	V	A	-1.4009
218	S	A	-1.5399
219	G	A	0.0000
220	S	A	0.0000
221	A	A	0.0000
222	S	A	-0.9567
223	Y	A	0.0000
224	Y	A	0.0000
225	E	A	-1.6495
226	V	A	0.0000
227	K	A	-2.2583
228	F	A	-1.4222
229	S	A	-1.1344
230	D	A	-1.4909
231	P	A	-1.2084
232	S	A	-0.9206
233	K	A	-1.1223
234	P	A	-1.2878
235	N	A	-1.4850
236	G	A	0.0000
237	Q	A	-1.0116
238	I	A	0.0000
239	W	A	0.0000
240	T	A	0.0000
241	G	A	0.0000
242	V	A	0.0000
243	I	A	0.0000
244	G	A	-0.9462
245	S	A	-0.7576
246	P	A	-0.5195
256	P	A	-0.8251
257	Q	A	-1.1903
258	R	A	-1.1407
259	W	A	0.0000
260	F	A	-0.0645
261	V	A	0.0000
262	V	A	0.0000
263	W	A	0.0000
264	L	A	-0.3628
265	G	A	0.0000
266	T	A	-0.8784
267	A	A	-1.1224
268	N	A	-1.5424
269	N	A	-1.5227
270	P	A	-1.3307
271	V	A	0.0000
272	D	A	-2.3993
273	K	A	-1.9394
274	G	A	-1.5264
275	A	A	-1.2519
276	A	A	0.0000
277	K	A	-1.5289
278	A	A	-1.0068
279	L	A	0.0000
280	A	A	0.0000
281	E	A	-1.6068
282	S	A	-1.0307
283	I	A	0.0000
284	R	A	-0.7750
285	P	A	0.0401
286	L	A	1.0107
287	V	A	1.9124