Project name: mature cNGF

Chain sequence(s)	A: SSSHPVFHRGEFSVCDSVSVWVGDKTTATDIKGKEVMVLGEVNINNSVFKQYFFETKCRDPTPVDSGCRGIDSKHWNSYCTTTHTFVKALTMDGKQAAWRFIRIDTACVCVLSRKAGRRA
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:41)

• Minimal score value: -2.2708
• Maximal score value: 2.0933
• Average score: -0.2498
• Total score value: -29.9796

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
122	S	A	-0.2512
123	S	A	-0.2896
124	S	A	-0.4352
125	H	A	-1.0740
126	P	A	-0.1137
127	V	A	2.0933
128	F	A	2.0931
129	H	A	-0.9659
130	R	A	-2.1061
131	G	A	-1.1245
132	E	A	-1.5514
133	F	A	1.5713
134	S	A	0.2528
135	V	A	0.3761
136	C	A	0.0000
137	D	A	-0.9847
138	S	A	-0.0938
139	V	A	0.9881
140	S	A	0.2287
141	V	A	1.3732
142	W	A	1.6641
143	V	A	0.5452
144	G	A	-0.1595
145	D	A	-1.8549
146	K	A	-0.6235
147	T	A	-0.1356
148	T	A	-0.0165
149	A	A	0.0000
150	T	A	-0.2490
151	D	A	0.0000
152	I	A	1.7066
153	K	A	-1.4210
154	G	A	-0.8994
155	K	A	-1.1417
156	E	A	-1.9537
157	V	A	0.0000
158	M	A	0.5095
159	V	A	0.0000
160	L	A	0.1853
161	G	A	-0.4181
162	E	A	-1.9469
163	V	A	-0.3810
164	N	A	-0.8385
165	I	A	0.4265
166	N	A	-1.3396
167	N	A	-1.5145
168	S	A	0.0037
169	V	A	1.8605
170	F	A	1.6368
171	K	A	-1.1008
172	Q	A	-0.1119
173	Y	A	1.2792
174	F	A	0.0000
175	F	A	1.7471
176	E	A	0.0000
177	T	A	-0.1910
178	K	A	-0.8227
179	C	A	-0.3879
180	R	A	-1.9677
181	D	A	-1.1674
182	P	A	-0.4041
183	T	A	-0.1067
184	P	A	0.0232
185	V	A	0.0893
186	D	A	-1.7402
187	S	A	-0.4564
188	G	A	0.0000
189	C	A	0.0000
190	R	A	-1.4263
191	G	A	-0.6313
192	I	A	0.1261
193	D	A	-1.5285
194	S	A	-0.6881
195	K	A	-1.8047
196	H	A	-0.7379
197	W	A	-0.2127
198	N	A	-1.2131
199	S	A	0.0000
200	Y	A	0.9622
201	C	A	0.0000
202	T	A	-0.0194
203	T	A	-0.0099
204	T	A	-0.1876
205	H	A	-0.9221
206	T	A	-0.0325
207	F	A	0.8005
208	V	A	0.2580
209	K	A	-1.4790
210	A	A	0.0000
211	L	A	0.3004
212	T	A	0.0000
213	M	A	0.1646
214	D	A	-0.5027
215	G	A	-0.8536
216	K	A	-1.9743
217	Q	A	-1.3563
218	A	A	-0.1135
219	A	A	0.2397
220	W	A	1.1531
221	R	A	0.1259
222	F	A	0.8770
223	I	A	0.0000
224	R	A	-0.9693
225	I	A	0.0000
226	D	A	-0.3578
227	T	A	-0.0737
228	A	A	0.0265
229	C	A	0.2521
230	V	A	0.9163
231	C	A	0.4499
232	V	A	1.0397
233	L	A	0.9765
234	S	A	-0.3906
235	R	A	-2.0794
236	K	A	-1.6131
237	A	A	-0.2635
238	G	A	-0.7955
239	R	A	-2.2708
240	R	A	-2.1742
241	A	A	-0.2800