Project name: CP_run

Chain sequence(s)	A: GITRSGSELITTLKKNTDTEPKYTTAVLNPSEPGTFNQLIKEAAQYEKYRFTSLRFRYSPMSPSTTGGKVALAFDRDAAKPPPNDLASLYNIEGCVSSVPWTGFILTVPTDSTDRFVADGISDPKLVDFGKLIMATYGQGAAQLGEVRVEYTVQLKNRTGSTSAQIGDFAGVKDGPRLVSWSKTKGTAGWEHDCHFLGTGNFSLTLFYEKAPVSGLENADASDFSVLGEAAAGSVQWAGVKVAERGQGVKMVTTEEQPKGKWQALRI
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:07)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:07)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:07)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:07)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)

• Minimal score value: -3.1772
• Maximal score value: 2.2503
• Average score: -0.6249
• Total score value: -166.836

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
81	G	A	-0.9068
82	I	A	-0.2584
83	T	A	-0.5739
84	R	A	-0.9686
85	S	A	-0.8429
86	G	A	-0.8747
87	S	A	-0.6104
88	E	A	-0.2444
89	L	A	0.6198
90	I	A	0.0000
91	T	A	-0.3397
92	T	A	-0.6941
93	L	A	-1.3607
94	K	A	-2.4924
95	K	A	-2.3898
96	N	A	-2.2583
97	T	A	-1.7785
98	D	A	-2.5303
99	T	A	-1.8005
100	E	A	-2.7187
101	P	A	0.0000
102	K	A	-2.5277
103	Y	A	-0.6444
104	T	A	-0.2776
105	T	A	-0.4102
106	A	A	0.0000
107	V	A	-0.1472
108	L	A	0.0000
109	N	A	0.0000
110	P	A	0.0000
111	S	A	-0.7343
112	E	A	0.0000
113	P	A	0.0000
114	G	A	0.0000
115	T	A	0.0000
116	F	A	0.0000
117	N	A	-1.2867
118	Q	A	-2.0058
119	L	A	0.0000
120	I	A	-1.2599
121	K	A	-2.3345
122	E	A	-1.6711
123	A	A	-1.6612
124	A	A	-1.8260
125	Q	A	-2.4249
126	Y	A	-1.8581
127	E	A	-1.8999
128	K	A	-1.3895
129	Y	A	0.0000
130	R	A	-1.3132
131	F	A	0.0000
132	T	A	-0.6049
133	S	A	-0.6276
134	L	A	0.0000
135	R	A	-1.4045
136	F	A	0.0000
137	R	A	-1.2621
138	Y	A	0.0000
139	S	A	-0.2614
140	P	A	0.0439
141	M	A	0.7331
142	S	A	0.2557
143	P	A	0.0436
144	S	A	0.1050
145	T	A	-0.1801
146	T	A	0.0000
147	G	A	-0.4607
148	G	A	-0.8561
149	K	A	-0.1813
150	V	A	0.0000
151	A	A	0.0000
152	L	A	0.0000
153	A	A	0.0000
154	F	A	0.0000
155	D	A	-1.8927
156	R	A	-2.7621
157	D	A	-2.7048
158	A	A	0.0000
159	A	A	-2.0832
160	K	A	-2.3519
161	P	A	-1.3349
162	P	A	-1.3150
163	P	A	-1.5905
164	N	A	-2.3703
165	D	A	-2.1685
166	L	A	-0.8402
167	A	A	-0.2282
168	S	A	-0.6380
169	L	A	0.0000
170	Y	A	0.4128
171	N	A	-0.6879
172	I	A	-0.2985
173	E	A	-0.7018
174	G	A	-0.1330
175	C	A	0.7645
176	V	A	1.0970
177	S	A	0.6147
178	S	A	0.3523
179	V	A	0.2745
180	P	A	0.0000
181	W	A	1.0030
182	T	A	0.3989
183	G	A	-0.1475
184	F	A	0.0000
185	I	A	0.1528
186	L	A	0.0000
187	T	A	-0.3351
188	V	A	-0.7102
189	P	A	-0.7131
190	T	A	-0.8124
191	D	A	-1.4005
192	S	A	-1.1794
193	T	A	-1.2494
194	D	A	-2.1402
195	R	A	-0.7840
196	F	A	0.0359
197	V	A	0.0000
198	A	A	-0.5001
199	D	A	-1.4756
200	G	A	0.0058
201	I	A	1.1066
202	S	A	0.1588
203	D	A	-0.7480
204	P	A	-1.1568
205	K	A	-1.9297
206	L	A	0.3992
207	V	A	0.0000
208	D	A	0.0000
209	F	A	0.0000
210	G	A	0.0000
211	K	A	-1.2119
212	L	A	0.0000
213	I	A	0.0000
214	M	A	0.0000
215	A	A	0.0000
216	T	A	0.0000
217	Y	A	-1.5980
218	G	A	-1.3965
219	Q	A	-1.2736
220	G	A	-1.0389
221	A	A	-0.9310
225	A	A	-1.3021
226	Q	A	-1.8510
227	L	A	0.0000
228	G	A	0.0000
229	E	A	-0.6369
230	V	A	0.0000
231	R	A	-0.5086
232	V	A	0.0000
233	E	A	-1.0278
234	Y	A	0.0000
235	T	A	-0.7326
236	V	A	0.0000
237	Q	A	-1.2504
238	L	A	0.0000
239	K	A	-1.8940
240	N	A	-2.3553
241	R	A	-2.7511
242	T	A	-1.9275
243	G	A	-1.7199
244	S	A	-0.9509
245	T	A	-0.7303
246	S	A	0.0537
248	A	A	0.5639
249	Q	A	1.4118
250	I	A	1.6876
251	G	A	0.0000
252	D	A	-1.5308
253	F	A	-1.4505
254	A	A	-0.9706
255	G	A	-0.7453
256	V	A	0.4571
257	K	A	-1.5360
258	D	A	-2.1501
259	G	A	-1.3594
260	P	A	-0.8236
261	R	A	-0.9996
262	L	A	1.1354
263	V	A	1.0449
264	S	A	0.5820
265	W	A	0.4916
266	S	A	-0.4815
267	K	A	-1.8713
268	T	A	-1.8518
269	K	A	-2.2887
270	G	A	-1.8214
271	T	A	-0.9754
272	A	A	-1.3155
273	G	A	-1.4797
274	W	A	-1.7155
275	E	A	-1.8448
276	H	A	0.0000
277	D	A	0.0000
278	C	A	-1.0955
279	H	A	-1.0260
280	F	A	0.1919
281	L	A	0.9957
282	G	A	0.0000
283	T	A	0.0000
284	G	A	-1.1180
285	N	A	-1.6405
286	F	A	0.0000
287	S	A	0.7437
288	L	A	1.0160
289	T	A	1.4566
290	L	A	1.1090
291	F	A	0.4536
292	Y	A	0.0211
293	E	A	-2.2727
294	K	A	-2.2934
295	A	A	-0.9034
296	P	A	0.1000
297	V	A	1.0146
298	S	A	0.0575
299	G	A	-0.4041
300	L	A	0.0000
301	E	A	-1.9637
302	N	A	-2.2006
303	A	A	-1.2964
304	D	A	-1.4477
305	A	A	-1.7731
306	S	A	-2.0798
307	D	A	-2.3864
308	F	A	-0.7841
309	S	A	0.4085
310	V	A	1.3744
311	L	A	1.9263
312	G	A	0.6219
313	E	A	-1.1586
314	A	A	-0.4466
315	A	A	-0.7785
316	A	A	-1.2121
317	G	A	-1.4858
318	S	A	-0.1624
319	V	A	1.8924
320	Q	A	0.0000
321	W	A	1.9441
322	A	A	0.0000
323	G	A	-0.4347
324	V	A	0.0000
325	K	A	-2.6464
326	V	A	-1.6739
327	A	A	-1.0233
328	E	A	-0.7374
329	R	A	-0.3109
330	G	A	-0.3727
331	Q	A	-0.8764
332	G	A	0.0000
333	V	A	0.0000
334	K	A	-1.5406
335	M	A	-0.5209
336	V	A	-0.1919
337	T	A	0.0000
338	T	A	-1.9272
339	E	A	-3.1772
340	E	A	-3.1543
341	Q	A	-2.3131
342	P	A	-2.0319
343	K	A	-1.7654
344	G	A	-1.4555
345	K	A	-1.3281
346	W	A	0.2952
347	Q	A	0.8420
348	A	A	1.4625
349	L	A	2.2503
350	R	A	1.1878
351	I	A	2.0415