Project name: 300164

Chain sequence(s)	A: KQNLELVNTNGSWHINRTALNCNESINTGFIAGLFYYHSFNSTGCPQRLSSCKPITFFRQGWGPLTDANISGSSEDKPYCWHYAPRPCEVVPALNVCGPVYCFTPSPVVVGTTDARGVPTYTWGENETDVFLLKSLRPPGGRWFGCTWMNSTGFVKTCGAPPCNIYGGKGGPNESDLHCPTDCFRKHPEATYSRCGAGPWLTPRCLVDYPYRLWHYPCTINFTLFKVRMFVGGFEHRFTAACNWTRGERCDIEDRDRSERT
Selected Chain(s)	A
Distance of aggregation	10 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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:49)

• Minimal score value: -3.8044
• Maximal score value: 2.3191
• Average score: -0.6256
• Total score value: -163.2813

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
48	K	A	-2.4841
49	Q	A	-2.3835
50	N	A	-1.9157
51	L	A	-0.2551
52	E	A	-1.3999
53	L	A	0.0026
54	V	A	0.3813
55	N	A	-1.0873
56	T	A	-1.0307
57	N	A	-1.6481
58	G	A	-1.2408
59	S	A	-0.9052
60	W	A	-0.4453
61	H	A	-0.2448
62	I	A	0.4037
63	N	A	0.2537
64	R	A	0.1471
65	T	A	0.0000
66	A	A	0.0000
67	L	A	0.0200
68	N	A	-0.5781
69	C	A	-0.6942
70	N	A	-1.6218
71	E	A	-2.2159
72	S	A	-1.0150
73	I	A	-0.0841
74	N	A	-1.4601
75	T	A	-0.6073
76	G	A	-0.7295
77	F	A	0.4260
78	I	A	0.3538
79	A	A	1.1969
80	G	A	1.1687
81	L	A	1.6141
82	F	A	2.3191
83	Y	A	2.2268
84	Y	A	1.3794
85	H	A	-0.0138
86	S	A	0.0762
87	F	A	0.1333
88	N	A	-1.1448
89	S	A	-0.8508
90	T	A	-0.8572
91	G	A	-1.1987
92	C	A	0.0000
93	P	A	-1.3117
94	Q	A	-2.1332
95	R	A	-2.3679
96	L	A	-0.9974
97	S	A	-1.1268
98	S	A	-1.4050
99	C	A	-0.8229
100	K	A	-0.4516
101	P	A	-0.2774
102	I	A	-0.3507
103	T	A	-0.3077
104	F	A	-0.1689
105	F	A	0.0000
106	R	A	-2.1352
107	Q	A	-1.7224
108	G	A	0.0000
109	W	A	0.0558
110	G	A	-0.3959
111	P	A	-0.4606
112	L	A	-0.6024
113	T	A	-1.0088
114	D	A	-1.4126
115	A	A	0.0000
116	N	A	-1.7700
117	I	A	-1.2674
118	S	A	-1.0556
119	G	A	-0.8385
120	S	A	-1.1936
121	S	A	-1.7782
122	E	A	-2.7678
123	D	A	-2.4891
124	K	A	-1.9147
125	P	A	0.0000
126	Y	A	-0.2261
127	C	A	0.0000
128	W	A	0.0000
129	H	A	0.0000
130	Y	A	-0.7588
131	A	A	-0.7177
132	P	A	0.0000
133	R	A	-1.9712
134	P	A	-1.5024
135	C	A	-1.3123
136	E	A	-1.9595
137	V	A	-0.2643
138	V	A	0.0000
139	P	A	-0.9145
140	A	A	0.0000
141	L	A	-1.1073
142	N	A	-1.3406
143	V	A	0.0000
144	C	A	0.0000
145	G	A	0.0000
146	P	A	0.0000
147	V	A	0.0000
148	Y	A	0.0000
149	C	A	0.0000
150	F	A	0.0000
151	T	A	-0.3982
152	P	A	0.0000
153	S	A	-0.5889
154	P	A	0.2215
155	V	A	0.6852
156	V	A	0.7571
157	V	A	0.6041
158	G	A	0.0000
159	T	A	0.0000
160	T	A	0.2183
161	D	A	-0.6291
162	A	A	-0.5266
163	R	A	-1.4561
164	G	A	-0.3053
165	V	A	0.8970
166	P	A	0.4395
167	T	A	0.3398
168	Y	A	0.5758
169	T	A	-0.1136
170	W	A	-0.0319
171	G	A	0.0000
172	E	A	-2.4224
173	N	A	-2.4954
174	E	A	-2.6437
175	T	A	-1.4977
176	D	A	0.0000
177	V	A	-0.6365
178	F	A	0.0000
179	L	A	-0.4715
180	L	A	0.0000
181	K	A	-1.7752
182	S	A	-0.8380
183	L	A	0.5223
184	R	A	-0.2003
185	P	A	-0.5936
186	P	A	-0.6364
187	G	A	-0.6904
188	G	A	-0.7814
189	R	A	-1.6175
190	W	A	0.0000
191	F	A	0.0000
192	G	A	0.0000
193	C	A	0.0000
194	T	A	0.0000
195	W	A	0.0000
196	M	A	0.0000
197	N	A	-0.3224
198	S	A	-0.6344
199	T	A	-0.4023
200	G	A	0.1793
201	F	A	1.3420
202	V	A	0.0000
203	K	A	-0.4815
204	T	A	-0.4465
205	C	A	0.0000
206	G	A	0.0000
207	A	A	0.0000
208	P	A	-0.8987
209	P	A	0.0000
210	C	A	0.0000
211	N	A	0.0000
212	I	A	0.0000
213	Y	A	0.0000
214	G	A	-0.8799
215	G	A	-1.5958
216	K	A	-2.0279
217	G	A	-1.6372
218	G	A	-1.6468
219	P	A	-1.5116
220	N	A	-2.6114
221	E	A	-2.9707
222	S	A	-1.9746
223	D	A	-2.0500
224	L	A	0.0000
225	H	A	-0.6108
226	C	A	0.0000
227	P	A	0.0000
228	T	A	0.0000
229	D	A	-0.9654
230	C	A	0.0000
231	F	A	-1.1283
232	R	A	-1.9513
233	K	A	-1.1433
234	H	A	0.0000
235	P	A	-1.0943
236	E	A	-1.9805
237	A	A	0.0000
238	T	A	-1.2408
239	Y	A	0.0000
240	S	A	-0.5296
241	R	A	-1.1445
242	C	A	0.0000
243	G	A	0.0000
244	A	A	0.0000
245	G	A	0.0000
246	P	A	0.0000
247	W	A	-0.0410
248	L	A	0.0000
249	T	A	-0.4278
250	P	A	-0.4997
251	R	A	-0.6963
252	C	A	0.0000
253	L	A	0.0000
254	V	A	0.0000
255	D	A	-0.3006
256	Y	A	0.0000
257	P	A	-0.5144
258	Y	A	0.0000
259	R	A	0.0000
260	L	A	0.2554
261	W	A	0.0000
262	H	A	0.0000
263	Y	A	0.0000
264	P	A	0.0634
265	C	A	-0.2175
266	T	A	0.0000
267	I	A	0.0994
268	N	A	-0.7762
269	F	A	-0.1186
270	T	A	0.5005
271	L	A	0.7944
272	F	A	0.3770
273	K	A	-1.7010
274	V	A	-1.5340
275	R	A	-2.3922
276	M	A	-0.5021
277	F	A	0.8495
278	V	A	0.0000
279	G	A	0.0159
280	G	A	0.5380
281	F	A	1.6229
282	E	A	0.0554
283	H	A	0.0000
284	R	A	-2.5149
285	F	A	0.0000
286	T	A	-0.8531
287	A	A	0.0000
288	A	A	0.0000
289	C	A	0.0000
290	N	A	-0.6952
291	W	A	-0.4842
292	T	A	-1.4500
293	R	A	-2.5802
294	G	A	-2.4501
295	E	A	-3.2051
296	R	A	-2.9981
297	C	A	-1.6387
298	D	A	-1.5301
299	I	A	-0.2807
300	E	A	-2.5780
301	D	A	-3.0846
302	R	A	-3.4919
303	D	A	-3.8044
304	R	A	-3.6981
305	S	A	-2.8954
306	E	A	-3.1513
307	R	A	-2.9768
308	T	A	-1.3605