Project name: cf2caa3b9ab464

Chain sequence(s)	A: NPFIFKSNKFQTFENENGHIRLLQKFDQRSKIFENLQNYRLLEYKSKPHTIFLPQHTDADYILVVLSGKAILTVLKPDDRNSFNLERGDTIKLPAGTIAYLVNRDDNEELRVLDLAIPVNRPGQLQSFLLSGNQNQQNYLSGFSKNILEASFNTDYEEIEKVLLEEHEKETQHRRSMKDKRQQSQEENVIVKLSRGQIEELSKNAKSTSKKSVSSESEPFNLRSRGPIYSNEFGKFFEITPEKNPQLQDLDIFVNSVEIKEGSLLLPHYNSRAIVIVTVNEGKGDFELVGQRNENQQEQRKEDDEEEEQGEEEINKQVQNYKAKLSSGDVFVIPAGHPVAVKASSNLDLLGFGINAENNQRNFLAGDEDNVISQIQRPVKEMAFPGSAQEVDRILENQKQSHFADA; C: NPFIFKSNKFQTFENENGHIRLLQKFDQRSKIFENLQNYRLLEYKSKPHTIFLPQHTDADYILVVLSGKAILTVLKPDDRNSFNLERGDTIKLPAGTIAYLVNRDDNEELRVLDLAIPVNRPGQLQSFLLSGNQNQQNYLSGFSKNILEASFNTDYEEIEKVLLEEHEKETQHRRSMKDKRQQSQEENVIVKLSRGQIEELSKNAKSTSKKSVSSESEPFNLRSRGPIYSNEFGKFFEITPEKNPQLQDLDIFVNSVEIKEGSLLLPHYNSRAIVIVTVNEGKGDFELVGQRNENQQEQRKEDDEEEEQGEEEINKQVQNYKAKLSSGDVFVIPAGHPVAVKASSNLDLLGFGINAENNQRNFLAGDEDNVISQIQRPVKEMAFPGSAQEVDRILENQKQSHFADA; B: NPFIFKSNKFQTFENENGHIRLLQKFDQRSKIFENLQNYRLLEYKSKPHTIFLPQHTDADYILVVLSGKAILTVLKPDDRNSFNLERGDTIKLPAGTIAYLVNRDDNEELRVLDLAIPVNRPGQLQSFLLSGNQNQQNYLSGFSKNILEASFNTDYEEIEKVLLEEHEKETQHRRSMKDKRQQSQEENVIVKLSRGQIEELSKNAKSTSKKSVSSESEPFNLRSRGPIYSNEFGKFFEITPEKNPQLQDLDIFVNSVEIKEGSLLLPHYNSRAIVIVTVNEGKGDFELVGQRNENQQEQRKEDDEEEEQGEEEINKQVQNYKAKLSSGDVFVIPAGHPVAVKASSNLDLLGFGINAENNQRNFLAGDEDNVISQIQRPVKEMAFPGSAQEVDRILENQKQSHFADA
Selected Chain(s)	A,C,B
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 all 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                                          (00:23:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:23:24)

• Minimal score value: -5.9379
• Maximal score value: 0.8786
• Average score: -1.2477
• Total score value: -1519.6841

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
34	N	A	-1.5431
35	P	A	0.0000
36	F	A	0.0000
37	I	A	-0.5986
38	F	A	0.0000
39	K	A	-1.8193
40	S	A	-1.5598
41	N	A	-2.2272
42	K	A	-2.1903
43	F	A	0.0000
44	Q	A	-1.6104
45	T	A	-0.9225
46	F	A	-0.7520
47	E	A	-2.0355
48	N	A	-2.2439
49	E	A	-2.9123
50	N	A	0.0000
51	G	A	0.0000
52	H	A	-1.2570
53	I	A	-0.4094
54	R	A	-0.7494
55	L	A	-0.4376
56	L	A	0.0000
57	Q	A	-1.6155
58	K	A	-1.9060
59	F	A	0.0000
60	D	A	-3.0486
61	Q	A	-2.7371
62	R	A	-2.4269
63	S	A	-2.4216
64	K	A	-2.9327
65	I	A	-1.3468
66	F	A	0.0000
67	E	A	-2.3454
68	N	A	-1.4239
69	L	A	0.0000
70	Q	A	-2.0307
71	N	A	-1.0358
72	Y	A	-0.5994
73	R	A	0.0000
74	L	A	0.0000
75	L	A	0.0000
76	E	A	0.0000
77	Y	A	-0.2410
78	K	A	-1.1974
79	S	A	0.0000
80	K	A	-2.8120
81	P	A	-2.6266
82	H	A	-2.3460
83	T	A	0.0000
84	I	A	0.0000
85	F	A	0.0000
86	L	A	0.0000
87	P	A	0.0000
88	Q	A	-0.1858
89	H	A	0.0000
90	T	A	-0.0862
91	D	A	0.0000
92	A	A	0.0000
93	D	A	0.0000
94	Y	A	0.0000
95	I	A	0.0000
96	L	A	0.0000
97	V	A	0.0000
98	V	A	0.0000
99	L	A	0.0000
100	S	A	-1.3384
101	G	A	-2.0496
102	K	A	-2.2164
103	A	A	0.0000
104	I	A	0.0000
105	L	A	0.0000
106	T	A	0.0000
107	V	A	-0.6447
108	L	A	0.0000
109	K	A	-1.7634
110	P	A	0.0000
111	D	A	-3.3477
112	D	A	-2.6486
113	R	A	-2.2692
114	N	A	-1.7351
115	S	A	0.0000
116	F	A	0.0000
117	N	A	-1.3715
118	L	A	0.0000
119	E	A	-1.5851
120	R	A	-1.4358
121	G	A	0.0000
122	D	A	0.0000
123	T	A	0.0000
124	I	A	0.0000
125	K	A	-0.6815
126	L	A	0.0000
127	P	A	-0.4028
128	A	A	0.0000
129	G	A	0.0000
130	T	A	0.0000
131	I	A	0.0000
132	A	A	-0.2081
133	Y	A	0.0000
134	L	A	0.0000
135	V	A	0.0000
136	N	A	0.0000
137	R	A	-2.2589
138	D	A	-2.7846
139	D	A	-3.5035
140	N	A	-3.2804
141	E	A	-3.2027
142	E	A	-3.0853
143	L	A	0.0000
144	R	A	-1.1628
145	V	A	0.0000
146	L	A	0.0000
147	D	A	0.0000
148	L	A	0.0000
149	A	A	0.0000
150	I	A	0.0000
151	P	A	0.0000
152	V	A	0.0000
153	N	A	0.0000
154	R	A	0.0000
155	P	A	-0.6075
156	G	A	0.0000
157	Q	A	-0.6153
158	L	A	-0.0600
159	Q	A	0.0000
160	S	A	-0.1844
161	F	A	0.0000
162	L	A	-0.1355
163	L	A	0.0000
164	S	A	0.0000
165	G	A	0.0000
166	N	A	-1.4570
167	Q	A	-2.0279
168	N	A	-1.8375
169	Q	A	-1.5514
170	Q	A	-1.4162
171	N	A	0.0000
172	Y	A	0.0000
173	L	A	0.0000
174	S	A	-0.6581
175	G	A	0.0000
176	F	A	0.0000
177	S	A	-1.5635
178	K	A	-2.9807
179	N	A	-2.4867
180	I	A	0.0000
181	L	A	0.0000
182	E	A	-2.7696
183	A	A	-1.9934
184	S	A	0.0000
185	F	A	0.0000
186	N	A	-2.6491
187	T	A	0.0000
188	D	A	-3.3969
189	Y	A	-2.9926
190	E	A	-3.2897
191	E	A	-2.7859
192	I	A	0.0000
193	E	A	-2.3351
194	K	A	-2.6021
195	V	A	0.0000
196	L	A	0.0000
197	L	A	0.0000
198	E	A	-1.7715
199	E	A	-2.6831
200	H	A	-3.1995
201	E	A	-3.8876
202	K	A	-4.2545
203	E	A	-4.8345
204	T	A	-3.0946
205	Q	A	-3.4325
206	H	A	-4.1158
207	R	A	-4.6193
208	R	A	-3.5876
209	S	A	-2.4298
210	M	A	-1.7561
211	K	A	-3.3242
212	D	A	-2.8830
213	K	A	-3.6982
214	R	A	-2.9740
215	Q	A	-2.7405
216	Q	A	-2.2890
217	S	A	-1.9869
218	Q	A	-2.5911
219	E	A	-2.7990
220	E	A	-2.9190
221	N	A	0.0000
222	V	A	0.0000
223	I	A	0.0000
224	V	A	0.0000
225	K	A	-2.4924
226	L	A	0.0000
227	S	A	-2.1019
228	R	A	-3.1688
229	G	A	-2.4561
230	Q	A	-2.4206
231	I	A	0.0000
232	E	A	-3.3949
233	E	A	-3.5348
234	L	A	0.0000
235	S	A	-2.5491
236	K	A	-3.3377
237	N	A	-2.7038
238	A	A	-2.0911
239	K	A	-2.1707
240	S	A	-1.5471
241	T	A	-1.4831
242	S	A	-1.9126
243	K	A	-2.8405
244	K	A	-2.9387
245	S	A	0.0000
246	V	A	0.0000
247	S	A	-1.4986
248	S	A	-1.5245
249	E	A	-2.3310
250	S	A	-1.7979
251	E	A	-2.1081
252	P	A	0.0000
253	F	A	0.0000
254	N	A	-1.1788
255	L	A	0.0000
256	R	A	-1.3586
257	S	A	0.0000
258	R	A	-1.7834
259	G	A	-0.9836
260	P	A	-0.3379
261	I	A	0.4958
262	Y	A	0.0000
263	S	A	-0.9725
264	N	A	-1.6597
265	E	A	-2.4669
266	F	A	-2.2589
267	G	A	0.0000
268	K	A	-1.4171
269	F	A	0.0000
270	F	A	0.0000
271	E	A	0.0000
272	I	A	0.0000
273	T	A	-1.4513
274	P	A	0.0000
275	E	A	-2.7328
276	K	A	-1.4839
277	N	A	0.0000
278	P	A	-1.8901
279	Q	A	0.0000
280	L	A	0.0000
281	Q	A	-2.7856
282	D	A	-2.3776
283	L	A	-1.3723
284	D	A	-2.0033
285	I	A	0.0000
286	F	A	0.0000
287	V	A	0.0000
288	N	A	0.0000
289	S	A	0.0000
290	V	A	0.0000
291	E	A	-1.6175
292	I	A	0.0000
293	K	A	-3.1710
294	E	A	-3.4842
295	G	A	-2.1595
296	S	A	0.0000
297	L	A	0.0000
298	L	A	0.0000
299	L	A	0.0000
300	P	A	0.0000
301	H	A	0.0000
302	Y	A	0.0000
303	N	A	0.0000
304	S	A	0.0000
305	R	A	0.0000
306	A	A	0.0000
307	I	A	0.0000
308	V	A	0.0000
309	I	A	0.0000
310	V	A	0.0000
311	T	A	0.0000
312	V	A	0.0000
313	N	A	0.0000
314	E	A	-1.9289
315	G	A	-2.3140
316	K	A	-2.7051
317	G	A	0.0000
318	D	A	-1.5935
319	F	A	0.0000
320	E	A	0.0000
321	L	A	0.0000
322	V	A	0.0000
323	G	A	0.0000
324	Q	A	0.0000
325	R	A	-2.0258
326	N	A	-2.7949
327	E	A	-2.9386
328	N	A	-3.0487
329	Q	A	-3.0993
330	Q	A	-4.1037
331	E	A	-4.2040
332	Q	A	-3.9784
333	R	A	-5.2288
334	K	A	-5.1897
335	E	A	-5.3825
336	D	A	-5.1739
337	D	A	-5.3000
338	E	A	-5.5258
339	E	A	-5.3830
340	E	A	-5.5952
341	E	A	-5.5264
342	Q	A	-4.4395
343	G	A	-3.1751
344	E	A	-4.1082
345	E	A	-4.1013
346	E	A	-2.7481
347	I	A	-2.3203
348	N	A	-2.5441
349	K	A	-3.0106
350	Q	A	-2.4961
351	V	A	-1.4078
352	Q	A	-1.5334
353	N	A	-1.1859
354	Y	A	0.0000
355	K	A	-1.8094
356	A	A	-1.5697
357	K	A	-2.4092
358	L	A	0.0000
359	S	A	-1.5151
360	S	A	-1.1453
361	G	A	0.0000
362	D	A	0.0000
363	V	A	0.0000
364	F	A	0.0000
365	V	A	0.0000
366	I	A	0.0000
367	P	A	0.0000
368	A	A	0.0000
369	G	A	0.0000
370	H	A	0.0000
371	P	A	0.0000
372	V	A	0.0000
373	A	A	0.0000
374	V	A	0.0000
375	K	A	-1.6730
376	A	A	0.0000
377	S	A	-2.0413
378	S	A	-2.5126
379	N	A	-3.1799
380	L	A	0.0000
381	D	A	-1.4608
382	L	A	0.0000
383	L	A	0.0000
384	G	A	0.0000
385	F	A	0.0000
386	G	A	0.0000
387	I	A	-0.2559
388	N	A	-0.9411
389	A	A	0.0000
390	E	A	-3.2234
391	N	A	-2.6122
392	N	A	-1.6275
393	Q	A	-1.3590
394	R	A	0.0000
395	N	A	0.0000
396	F	A	0.0000
397	L	A	0.0000
398	A	A	0.0000
399	G	A	0.0000
400	D	A	-3.8740
401	E	A	-3.3721
402	D	A	-2.4743
403	N	A	0.0000
404	V	A	0.0000
405	I	A	0.0000
406	S	A	-1.7770
407	Q	A	-1.5169
408	I	A	0.0000
409	Q	A	0.0000
410	R	A	-1.5126
411	P	A	0.0000
412	V	A	0.0000
413	K	A	0.0000
414	E	A	-1.1472
415	M	A	-0.5804
416	A	A	0.0000
417	F	A	0.0000
418	P	A	-1.6838
419	G	A	0.0000
420	S	A	-1.5172
421	A	A	0.0000
422	Q	A	-2.8697
423	E	A	-2.9937
424	V	A	0.0000
425	D	A	-3.4145
426	R	A	-3.5637
427	I	A	0.0000
428	L	A	0.0000
429	E	A	-3.7974
430	N	A	-2.7647
431	Q	A	0.0000
432	K	A	-3.2889
433	Q	A	-2.8346
434	S	A	-1.8880
435	H	A	0.0000
436	F	A	0.0000
437	A	A	0.0000
438	D	A	-2.6147
439	A	A	-1.6496
34	N	B	-1.6076
35	P	B	-0.9045
36	F	B	0.0000
37	I	B	0.0000
38	F	B	0.0000
39	K	B	-1.5372
40	S	B	-1.3983
41	N	B	-2.0784
42	K	B	-1.9927
43	F	B	0.0000
44	Q	B	-1.3621
45	T	B	-1.2258
46	F	B	-1.1269
47	E	B	-2.3512
48	N	B	-1.9867
49	E	B	-2.6412
50	N	B	0.0000
51	G	B	0.0000
52	H	B	-1.4282
53	I	B	-0.4528
54	R	B	-0.7053
55	L	B	-0.3649
56	L	B	0.0000
57	Q	B	-1.4440
58	K	B	-1.5936
59	F	B	0.0000
60	D	B	-2.8088
61	Q	B	-2.5657
62	R	B	-1.9851
63	S	B	-1.8940
64	K	B	-2.5795
65	I	B	-1.2396
66	F	B	0.0000
67	E	B	-2.0300
68	N	B	-1.3968
69	L	B	0.0000
70	Q	B	-1.8161
71	N	B	-0.8683
72	Y	B	-0.3958
73	R	B	0.0000
74	L	B	0.0000
75	L	B	0.0000
76	E	B	0.0000
77	Y	B	-0.1643
78	K	B	-1.2783
79	S	B	0.0000
80	K	B	-2.7361
81	P	B	-2.4519
82	H	B	-2.0011
83	T	B	0.0000
84	I	B	0.0000
85	F	B	0.0000
86	L	B	0.0000
87	P	B	0.0000
88	Q	B	-0.1491
89	H	B	0.0000
90	T	B	0.0000
91	D	B	0.0000
92	A	B	0.0000
93	D	B	0.0000
94	Y	B	0.0000
95	I	B	0.0000
96	L	B	0.0000
97	V	B	0.0000
98	V	B	0.0000
99	L	B	0.0000
100	S	B	-1.6770
101	G	B	0.0000
102	K	B	-2.4051
103	A	B	0.0000
104	I	B	0.0000
105	L	B	0.0000
106	T	B	0.0000
107	V	B	0.0000
108	L	B	0.0000
109	K	B	-2.1237
110	P	B	0.0000
111	D	B	-3.7297
112	D	B	-3.3909
113	R	B	-2.4838
114	N	B	-1.7305
115	S	B	0.0000
116	F	B	0.0000
117	N	B	-1.3711
118	L	B	0.0000
119	E	B	-2.3261
120	R	B	-2.7171
121	G	B	0.0000
122	D	B	0.0000
123	T	B	0.0000
124	I	B	0.0000
125	K	B	-0.5982
126	L	B	0.0000
127	P	B	-0.3741
128	A	B	0.0000
129	G	B	0.0000
130	T	B	0.0000
131	I	B	0.0000
132	A	B	-0.2534
133	Y	B	0.0000
134	L	B	0.0000
135	V	B	0.0000
136	N	B	0.0000
137	R	B	-2.1390
138	D	B	-2.4837
139	D	B	-3.3147
140	N	B	-3.2271
141	E	B	-3.1376
142	E	B	-2.8789
143	L	B	0.0000
144	R	B	-1.2852
145	V	B	0.0000
146	L	B	0.0000
147	D	B	0.0000
148	L	B	0.0000
149	A	B	0.0000
150	I	B	0.1249
151	P	B	0.0000
152	V	B	-0.1210
153	N	B	0.0000
154	R	B	-0.8720
155	P	B	-0.6080
156	G	B	0.0000
157	Q	B	-0.3864
158	L	B	0.0925
159	Q	B	0.0000
160	S	B	-0.1081
161	F	B	0.0000
162	L	B	0.0137
163	L	B	0.0000
164	S	B	-0.2975
165	G	B	0.0000
166	N	B	0.0000
167	Q	B	-2.2434
168	N	B	-2.6872
169	Q	B	0.0000
170	Q	B	-1.5748
171	N	B	0.0000
172	Y	B	0.0000
173	L	B	0.0000
174	S	B	-0.7018
175	G	B	0.0000
176	F	B	0.0000
177	S	B	-1.4732
178	K	B	-2.8098
179	N	B	-2.1000
180	I	B	0.0000
181	L	B	0.0000
182	E	B	-2.7770
183	A	B	-1.9243
184	S	B	0.0000
185	F	B	0.0000
186	N	B	-2.6897
187	T	B	0.0000
188	D	B	-3.6488
189	Y	B	-3.2152
190	E	B	-3.6547
191	E	B	-3.4918
192	I	B	0.0000
193	E	B	-2.4860
194	K	B	-2.2533
195	V	B	0.0000
196	L	B	0.0000
197	L	B	0.0000
198	E	B	-1.7716
199	E	B	-2.2092
200	H	B	-2.4302
201	E	B	-2.5754
202	K	B	-2.4536
203	E	B	-3.3076
204	T	B	-2.8348
205	Q	B	-3.7166
206	H	B	-3.0977
207	R	B	-3.4058
208	R	B	-3.5472
209	S	B	-1.7563
210	M	B	-1.0688
211	K	B	-3.6476
212	D	B	-4.0497
213	K	B	-4.4027
214	R	B	-4.0967
215	Q	B	-3.7986
216	Q	B	-3.4872
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