Project name: NR1

Chain sequence(s)	A: SFGQTSGFTSTAGAQGGFGPTTGAQSALISRIANALANTSTLRSVLRTGVSQQIASSVVQRTIQTLASNLGIDGNNLSRIALQAISQVPAGSDTSAYAQAFSTALVTGGVLNANNVDTLGSQVLSAVLNGVSSAAQGLGINVDTGSVQSDIRSSSSSLSTSSSSASFSQTSGAASTTGFTGAGGYPGGAGPLGGGVGSLTGQTSFGQTSGFTSTAGAQGGFGPTTGAQSALISRIANALANTSTLRSVLRTGVSQQTASSVVQRTIQTLASNLGIDGNNLSRIALQAISQVPAGSDTSAYAQAFSTALVTGGVLNANNVDTLGSQVLSAVLNGVSSAAQGLGI
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]                                                (00:00:01)
[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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:34)

• Minimal score value: -3.1445
• Maximal score value: 1.5495
• Average score: -0.7198
• Total score value: -246.8851

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	S	A	0.4774
2	F	A	1.3161
3	G	A	-0.2114
4	Q	A	-1.1581
5	T	A	-0.5607
6	S	A	-0.3599
7	G	A	0.1179
8	F	A	1.5397
9	T	A	0.5813
10	S	A	0.1119
11	T	A	-0.0053
12	A	A	-0.5194
13	G	A	-0.9203
14	A	A	-0.9384
15	Q	A	-1.6628
16	G	A	-1.4358
17	G	A	-1.1416
18	F	A	-0.4048
19	G	A	-0.7190
20	P	A	-0.9129
21	T	A	-0.7069
22	T	A	-0.6359
23	G	A	-0.7405
24	A	A	-0.5698
25	Q	A	-0.9630
26	S	A	-0.6876
27	A	A	-0.4390
28	L	A	0.0000
29	I	A	0.0000
30	S	A	-0.9605
31	R	A	-1.0414
32	I	A	0.0000
33	A	A	0.0000
34	N	A	-1.9575
35	A	A	0.0000
36	L	A	0.0000
37	A	A	-1.8197
38	N	A	-1.9882
39	T	A	0.0000
40	S	A	-1.4193
41	T	A	0.0000
42	L	A	0.0000
43	R	A	-2.7307
44	S	A	-1.6258
45	V	A	0.0000
46	L	A	0.0000
47	R	A	-3.0237
48	T	A	-2.0792
49	G	A	-1.3291
50	V	A	-1.0566
51	S	A	-0.8106
52	Q	A	-0.9540
53	Q	A	-1.1518
54	I	A	-0.1785
55	A	A	0.0000
56	S	A	-0.8811
57	S	A	-0.8114
58	V	A	0.0000
59	V	A	0.0000
60	Q	A	-2.1253
61	R	A	-2.1369
62	T	A	0.0000
63	I	A	0.0000
64	Q	A	-2.4720
65	T	A	-1.5869
66	L	A	0.0000
67	A	A	0.0000
68	S	A	-1.3634
69	N	A	-1.5617
70	L	A	-0.7694
71	G	A	-0.9184
72	I	A	-1.2089
73	D	A	-2.4237
74	G	A	-2.4779
75	N	A	-2.7493
76	N	A	-2.1653
77	L	A	0.0000
78	S	A	-2.3738
79	R	A	-2.5114
80	I	A	-1.1768
81	A	A	0.0000
82	L	A	-1.0840
83	Q	A	-1.5982
84	A	A	0.0000
85	I	A	0.0000
86	S	A	-1.2196
87	Q	A	-1.6462
88	V	A	0.0000
89	P	A	-0.8919
90	A	A	-0.8942
91	G	A	-1.2097
92	S	A	-1.4602
93	D	A	-2.5777
94	T	A	-2.2753
95	S	A	-1.8267
96	A	A	-1.0891
97	Y	A	0.0000
98	A	A	0.0000
99	Q	A	-1.2992
100	A	A	0.0000
101	F	A	0.0000
102	S	A	0.0000
103	T	A	0.0000
104	A	A	0.0000
105	L	A	0.0000
106	V	A	0.0000
107	T	A	-0.3237
108	G	A	-0.8909
109	G	A	-0.8806
110	V	A	0.0000
111	L	A	0.0000
112	N	A	-1.4387
113	A	A	-1.3052
114	N	A	-1.8745
115	N	A	-1.5517
116	V	A	0.0000
117	D	A	-2.2808
118	T	A	-1.3549
119	L	A	-0.7298
120	G	A	0.0000
121	S	A	-1.0240
122	Q	A	-1.0107
123	V	A	0.0000
124	L	A	0.0000
125	S	A	-0.7469
126	A	A	0.0000
127	V	A	0.0000
128	L	A	0.0000
129	N	A	-0.8055
130	G	A	0.0000
131	V	A	0.0000
132	S	A	-1.1760
133	S	A	-1.1612
134	A	A	0.0000
135	A	A	0.0000
136	Q	A	-1.8811
137	G	A	-1.2388
138	L	A	-0.3888
139	G	A	-0.9523
140	I	A	-0.9548
141	N	A	-1.8868
142	V	A	-1.6046
143	D	A	-2.3197
144	T	A	-1.4831
145	G	A	-1.1772
146	S	A	-1.2081
147	V	A	0.0000
148	Q	A	-1.4612
149	S	A	-1.1415
150	D	A	0.0000
151	I	A	-1.1912
152	R	A	-2.1093
153	S	A	-1.3804
154	S	A	0.0000
155	S	A	-1.1737
156	S	A	-0.8808
157	S	A	-0.9770
158	L	A	0.0000
159	S	A	-0.8765
160	T	A	-0.3821
161	S	A	-0.4179
162	S	A	-0.4957
163	S	A	-0.0162
164	S	A	0.1926
165	A	A	0.1318
166	S	A	0.2741
167	F	A	1.2521
168	S	A	-0.0727
169	Q	A	-0.9229
170	T	A	-0.5094
171	S	A	-0.5298
172	G	A	-0.7829
173	A	A	-0.2552
174	A	A	-0.1826
175	S	A	-0.3157
176	T	A	-0.3082
177	T	A	0.0512
178	G	A	0.3565
179	F	A	1.5495
180	T	A	0.5498
181	G	A	-0.1379
182	A	A	-0.3107
183	G	A	-0.5060
184	G	A	-0.1101
185	Y	A	0.7712
186	P	A	0.0194
187	G	A	-0.5818
188	G	A	-0.8493
189	A	A	-0.5387
190	G	A	-0.3453
191	P	A	0.1398
192	L	A	0.9965
193	G	A	-0.0590
194	G	A	-0.2653
195	G	A	-0.0228
196	V	A	1.1763
197	G	A	0.5296
198	S	A	0.6854
199	L	A	1.0343
200	T	A	0.1397
201	G	A	-0.7888
202	Q	A	-1.0697
203	T	A	-0.4217
204	S	A	-0.0998
205	F	A	1.1374
206	G	A	-0.2330
207	Q	A	-1.1828
208	T	A	-0.5493
209	S	A	-0.3722
210	G	A	0.1227
211	F	A	1.5226
212	T	A	0.5979
213	S	A	0.0884
214	T	A	0.0012
215	A	A	-0.4912
216	G	A	-0.8693
217	A	A	-0.9647
218	Q	A	-1.6451
219	G	A	-1.4151
220	G	A	-1.0628
221	F	A	-0.3803
222	G	A	-0.7305
223	P	A	-0.8808
224	T	A	-0.5147
225	T	A	-0.6198
226	G	A	-0.7308
227	A	A	-0.5431
228	Q	A	-1.0667
229	S	A	-0.8667
230	A	A	-0.8370
231	L	A	0.0000
232	I	A	0.0000
233	S	A	-1.4413
234	R	A	-2.4560
235	I	A	0.0000
236	A	A	0.0000
237	N	A	-2.4315
238	A	A	-1.4751
239	L	A	0.0000
240	A	A	-1.8781
241	N	A	-1.9921
242	T	A	-1.2486
243	S	A	-1.0909
244	T	A	-1.1674
245	L	A	0.0000
246	R	A	-2.9192
247	S	A	-1.2580
248	V	A	0.0000
249	L	A	0.0000
250	R	A	-3.1445
251	T	A	-2.2402
252	G	A	-1.4714
253	V	A	0.0000
254	S	A	-1.0558
255	Q	A	-1.0921
256	Q	A	-1.4161
257	T	A	-0.5051
258	A	A	0.0000
259	S	A	-0.9311
260	S	A	-0.8949
261	V	A	0.0000
262	V	A	0.0000
263	Q	A	-1.9474
264	R	A	-2.0137
265	T	A	0.0000
266	I	A	0.0000
267	Q	A	-2.4112
268	T	A	-1.6239
269	L	A	0.0000
270	A	A	0.0000
271	S	A	-1.3685
272	N	A	-1.5960
273	L	A	-0.8173
274	G	A	-0.9225
275	I	A	-1.2182
276	D	A	-2.4407
277	G	A	-2.4745
278	N	A	-2.7570
279	N	A	-2.2162
280	L	A	0.0000
281	S	A	-2.2566
282	R	A	-2.3592
283	I	A	-1.0172
284	A	A	0.0000
285	L	A	-0.7702
286	Q	A	-1.1022
287	A	A	0.0000
288	I	A	0.0000
289	S	A	-1.0608
290	Q	A	-1.5337
291	V	A	0.0000
292	P	A	-0.9088
293	A	A	-0.9506
294	G	A	-1.3239
295	S	A	-1.5727
296	D	A	-2.7864
297	T	A	-2.4140
298	S	A	-1.8827
299	A	A	-1.1403
300	Y	A	0.0000
301	A	A	0.0000
302	Q	A	-1.4704
303	A	A	0.0000
304	F	A	0.0000
305	S	A	0.0000
306	T	A	-0.3556
307	A	A	0.0000
308	L	A	0.0000
309	V	A	0.0000
310	T	A	-0.3289
311	G	A	-0.8978
312	G	A	-0.8880
313	V	A	0.0000
314	L	A	0.0000
315	N	A	-1.3501
316	A	A	-1.2075
317	N	A	-1.7942
318	N	A	-1.4241
319	V	A	-1.4463
320	D	A	-2.1325
321	T	A	-1.1792
322	L	A	-0.7567
323	G	A	-0.8245
324	S	A	-1.0523
325	Q	A	-1.2282
326	V	A	0.0000
327	L	A	-0.2993
328	S	A	-0.6794
329	A	A	0.0000
330	V	A	0.0000
331	L	A	-0.4703
332	N	A	-1.2181
333	G	A	0.0000
334	V	A	0.0000
335	S	A	-0.7789
336	S	A	-1.2304
337	A	A	0.0000
338	A	A	0.0000
339	Q	A	-0.9268
340	G	A	-0.7598
341	L	A	0.3238
342	G	A	0.2020
343	I	A	1.5213