Project name: fc23612db9cbf77

Chain sequence(s)	A: LPKIVKFGKGTIAGGGDSATKSNYTVGKVSISTPIYPSSTKTVTLPVEQVVNIGSQDMNDNVGKLLTEEAKKGADFVSGSVDELAEIMRRLLAIDPSVRGVVMVGAMRPSTSMSADGPVVLRYMLAVSLQVRAEGKARVVSALADGGPPEERKCELLDGRDVTKTNTTDVATFKSVNNLPVSDELEPVVDKREENRKKAVDLINKLNAAGEKAAIVSAGVGNGNLYKSVFDTLATAAKTGTAVVRSSRVPTGATTQDAEVDDAKYGFTRADNNLTPEELLAAVEAALKDKVDK; C: LPKIVKFGKGTIAGGGDSATKSNYTVGKVSISTPIYPSSTKTVTLPVEQVVNIGSQDMNDNVGKLLTEEAKKGADFVSGSVDELAEIMRRLLAIDPSVRGVVMVGAMRPSTSMSADGPVVLRYMLAVSLQVRAEGKARVVSALADGGPPEERKCELLDGRDVTKTNTTDVATFKSVNNLPVSDELEPVVDKREENRKKAVDLINKLNAAGEKAAIVSAGVGNGNLYKSVFDTLATAAKTGTAVVRSSRVPTGATTQDAEVDDAKYGFTRADNNLTPEELLAAVEAALKDKVDK; B: LPKIVKFGKGTIAGGGDSATKSNYTVGKVSISTPIYPSSTKTVTLPVEQVVNIGSQDMNDNVGKLLTEEAKKGADFVSGSVDELAEIMRRLLAIDPSVRGVVMVGAMRPSTSMSADGPVVLRYMLAVSLQVRAEGKARVVSALADGGPPEERKCELLDGRDVTKTNTTDVATFKSVNNLPVSDELEPVVDKREENRKKAVDLINKLNAAGEKAAIVSAGVGNGNLYKSVFDTLATAAKTGTAVVRSSRVPTGATTQDAEVDDAKYGFTRADNNLTPEELLAAVEAALKDKVDK; D: LPKIVKFGKGTIAGGGDSATKSNYTVGKVSISTPIYPSSTKTVTLPVEQVVNIGSQDMNDNVGKLLTEEAKKGADFVSGSVDELAEIMRRLLAIDPSVRGVVMVGAMRPSTSMSADGPVVLRYMLAVSLQVRAEGKARVVSALADGGPPEERKCELLDGRDVTKTNTTDVATFKSVNNLPVSDELEPVVDKREENRKKAVDLINKLNAAGEKAAIVSAGVGNGNLYKSVFDTLATAAKTGTAVVRSSRVPTGATTQDAEVDDAKYGFTRADNNLTPEELLAAVEAALKDKVDK
Selected Chain(s)	A,C,B,D
Distance of aggregation	10 Å
FoldX usage	No
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[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 all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -3.1406
• Maximal score value: 1.3046
• Average score: -0.4933
• Total score value: -578.2029

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
22	L	A	0.8593
23	P	A	-0.1676
24	K	A	-1.3378
25	I	A	0.0000
26	V	A	-0.2842
27	K	A	0.0000
28	F	A	0.0000
29	G	A	0.0000
30	K	A	-0.5399
31	G	A	0.0000
32	T	A	0.0000
33	I	A	0.0000
34	A	A	0.0000
35	G	A	0.0000
36	G	A	0.0000
37	G	A	-1.5750
38	D	A	-2.2149
39	S	A	-1.5180
40	A	A	-0.8943
41	T	A	-1.3520
42	K	A	-2.4127
43	S	A	-1.9255
44	N	A	-2.2296
45	Y	A	-1.2860
46	T	A	-0.6975
47	V	A	-0.2696
48	G	A	-0.7109
49	K	A	-1.6259
50	V	A	-0.8216
51	S	A	-0.8361
52	I	A	0.0000
53	S	A	-0.0868
54	T	A	0.0693
55	P	A	0.0000
56	I	A	0.7336
57	Y	A	0.3684
58	P	A	-0.2505
59	S	A	-0.5536
60	S	A	0.0000
61	T	A	-0.6310
62	K	A	-1.5714
63	T	A	-0.6313
64	V	A	0.0000
65	T	A	-0.4419
66	L	A	0.0617
67	P	A	-0.0906
68	V	A	0.2511
69	E	A	-0.6674
70	Q	A	-0.7263
71	V	A	0.1849
72	V	A	0.4224
73	N	A	-0.4915
74	I	A	0.0687
75	G	A	0.0000
76	S	A	0.0000
77	Q	A	0.0000
78	D	A	-0.2177
79	M	A	-0.6282
80	N	A	-1.7011
81	D	A	-2.5474
82	N	A	-2.4668
83	V	A	0.0000
84	G	A	0.0000
85	K	A	-2.3699
86	L	A	-0.8639
87	L	A	0.0000
88	T	A	-1.4000
89	E	A	-2.0459
90	E	A	-1.8453
91	A	A	0.0000
92	K	A	-2.7921
93	K	A	-2.8320
94	G	A	-1.6652
95	A	A	0.0000
96	D	A	0.0000
97	F	A	0.0000
98	V	A	0.0000
99	S	A	0.0000
100	G	A	0.0000
101	S	A	0.0000
102	V	A	0.0000
103	D	A	0.0000
104	E	A	-0.2877
105	L	A	0.0000
106	A	A	0.0000
107	E	A	0.0000
108	I	A	0.0000
109	M	A	0.0000
110	R	A	0.0000
111	R	A	0.0000
112	L	A	0.0000
113	L	A	-0.4138
114	A	A	-0.2562
115	I	A	-0.1408
116	D	A	0.0000
117	P	A	-0.6295
118	S	A	-0.7676
119	V	A	0.2890
120	R	A	-1.0628
121	G	A	0.0000
122	V	A	0.0000
123	V	A	0.0000
124	M	A	0.0000
125	V	A	0.0000
126	G	A	0.0000
127	A	A	0.0000
128	M	A	0.0000
129	R	A	0.0000
130	P	A	0.0000
131	S	A	-0.1496
132	T	A	-0.5323
133	S	A	0.0000
134	M	A	0.1271
135	S	A	0.0658
136	A	A	0.0488
137	D	A	0.0000
138	G	A	0.0000
139	P	A	0.1387
140	V	A	0.0000
141	V	A	0.0000
142	L	A	0.0000
143	R	A	0.0000
144	Y	A	0.0000
145	M	A	0.0000
146	L	A	0.0000
147	A	A	0.0000
148	V	A	0.0000
149	S	A	-0.4725
150	L	A	-0.1541
151	Q	A	0.0000
152	V	A	0.2780
153	R	A	-1.3044
154	A	A	0.0000
155	E	A	-1.2092
156	G	A	-1.2235
157	K	A	-1.7352
158	A	A	-1.3175
159	R	A	-0.9766
160	V	A	0.0000
161	V	A	0.0000
162	S	A	0.0000
163	A	A	0.0000
164	L	A	0.0000
165	A	A	0.0000
166	D	A	0.0000
167	G	A	0.0000
168	G	A	0.0000
169	P	A	-0.8767
170	P	A	-1.2142
171	E	A	-1.8916
172	E	A	-1.3330
173	R	A	0.0000
174	K	A	0.0000
175	C	A	0.0000
176	E	A	-0.4914
177	L	A	0.0000
178	L	A	0.0000
179	D	A	0.0000
180	G	A	0.0000
181	R	A	0.0000
182	D	A	0.0000
183	V	A	0.0000
184	T	A	0.0000
185	K	A	0.0000
186	T	A	-0.2363
187	N	A	-0.3261
188	T	A	0.0000
189	T	A	0.0000
190	D	A	0.0000
191	V	A	0.0000
192	A	A	-0.1867
193	T	A	0.0000
194	F	A	0.0000
195	K	A	-0.3510
196	S	A	0.0000
197	V	A	0.1888
198	N	A	-0.1274
199	N	A	0.0000
200	L	A	0.1920
201	P	A	0.0000
202	V	A	0.0000
203	S	A	0.0000
204	D	A	-0.7370
205	E	A	-0.6780
206	L	A	-1.1260
207	E	A	-1.6363
208	P	A	0.0000
209	V	A	-0.1843
210	V	A	-0.4587
211	D	A	-0.8753
212	K	A	0.0000
213	R	A	-1.8357
214	E	A	0.0000
215	E	A	-2.3723
216	N	A	0.0000
217	R	A	-1.0577
218	K	A	0.0000
219	K	A	0.0000
220	A	A	-0.3382
221	V	A	-0.1610
222	D	A	-0.3400
223	L	A	0.6888
224	I	A	-0.1786
225	N	A	-1.2126
226	K	A	-2.0555
227	L	A	0.0000
228	N	A	-1.6139
229	A	A	-1.1954
230	A	A	-1.3944
231	G	A	-1.7615
232	E	A	-2.3108
233	K	A	-1.6712
234	A	A	-0.7061
235	A	A	0.0000
236	I	A	0.0000
237	V	A	0.0000
238	S	A	0.0000
239	A	A	0.0148
240	G	A	0.0000
241	V	A	0.0000
242	G	A	0.0000
243	N	A	-0.6747
244	G	A	0.0000
245	N	A	0.0000
246	L	A	0.0000
247	Y	A	-0.3156
248	K	A	-1.5755
249	S	A	-0.7545
250	V	A	0.1580
251	F	A	-0.3440
252	D	A	-1.2894
253	T	A	-0.7689
254	L	A	0.0000
255	A	A	-0.8156
256	T	A	-1.0599
257	A	A	0.0000
258	A	A	0.0000
259	K	A	-2.0358
260	T	A	-1.2086
261	G	A	-1.0354
262	T	A	-0.9982
263	A	A	0.0000
264	V	A	0.0000
265	V	A	0.0000
266	R	A	0.0000
267	S	A	0.0000
268	S	A	0.0000
269	R	A	-0.6984
270	V	A	0.0000
271	P	A	-0.2967
272	T	A	-0.2082
273	G	A	-0.3490
274	A	A	-0.6540
275	T	A	0.0000
276	T	A	0.0000
277	Q	A	-2.3580
278	D	A	-3.1400
279	A	A	-2.4788
280	E	A	-2.6904
281	V	A	0.0000
282	D	A	-2.9637
283	D	A	0.0000
284	A	A	-1.5849
285	K	A	-2.2062
286	Y	A	-1.3822
287	G	A	-1.5142
288	F	A	0.0000
289	T	A	-0.9331
290	R	A	-0.9401
291	A	A	0.0000
292	D	A	-1.1088
293	N	A	-0.7543
294	N	A	0.0000
295	L	A	0.0000
296	T	A	-0.3006
297	P	A	-0.0847
298	E	A	-0.1833
299	E	A	0.0000
300	L	A	0.0000
301	L	A	0.1924
302	A	A	0.0000
303	A	A	-0.2761
304	V	A	0.0000
305	E	A	-0.9114
306	A	A	-1.1543
307	A	A	-1.4623
308	L	A	-1.4502
309	K	A	-2.5476
310	D	A	-3.0292
311	K	A	-2.3566
312	V	A	-0.5112
313	D	A	-1.9448
314	K	A	-1.4191
22	L	B	0.8397
23	P	B	-0.2276
24	K	B	-1.6588
25	I	B	0.0000
26	V	B	0.0000
27	K	B	0.0000
28	F	B	0.0000
29	G	B	0.0000
30	K	B	0.0000
31	G	B	0.0000
32	T	B	-0.1001
33	I	B	0.0000
34	A	B	0.0000
35	G	B	-0.8089
36	G	B	-0.5981
37	G	B	0.0000
38	D	B	-1.1975
39	S	B	-0.9398
40	A	B	-0.9461
41	T	B	-1.2353
42	K	B	-2.1793
43	S	B	-1.6032
44	N	B	-1.3697
45	Y	B	0.0553
46	T	B	0.2843
47	V	B	1.1958
48	G	B	0.0252
49	K	B	-0.4446
50	V	B	0.0000
51	S	B	-0.2366
52	I	B	0.0000
53	S	B	-0.1466
54	T	B	0.0640
55	P	B	0.0000
56	I	B	0.7496
57	Y	B	0.4616
58	P	B	-0.2525
59	S	B	-0.4862
60	S	B	0.0000
61	T	B	-0.6453
62	K	B	-1.5478
63	T	B	-0.6227
64	V	B	0.0000
65	T	B	-0.6119
66	L	B	0.0000
67	P	B	-0.3564
68	V	B	-0.0648
69	E	B	-0.8864
70	Q	B	-0.8540
71	V	B	0.0067
72	V	B	0.2091
73	N	B	-0.0843
74	I	B	0.0540
75	G	B	-0.1293
76	S	B	0.0000
77	Q	B	-0.5443
78	D	B	-0.9528
79	M	B	0.0000
80	N	B	-1.4702
81	D	B	-1.8814
82	N	B	-1.9731
83	V	B	0.0000
84	G	B	0.0000
85	K	B	-1.7267
86	L	B	-0.7239
87	L	B	0.0000
88	T	B	-1.1236
89	E	B	-2.1202
90	E	B	-1.5152
91	A	B	-1.6665
92	K	B	-2.1655
93	K	B	-2.4100
94	G	B	-1.9105
95	A	B	0.0000
96	D	B	0.0000
97	F	B	0.0000
98	V	B	0.0000
99	S	B	0.0000
100	G	B	0.0000
101	S	B	0.0000
102	V	B	0.0000
103	D	B	0.0000
104	E	B	-0.4576
105	L	B	0.0000
106	A	B	0.0000
107	E	B	-0.3168
108	I	B	0.0000
109	M	B	0.0000
110	R	B	0.0000
111	R	B	0.0000
112	L	B	0.0000
113	L	B	-0.8458
114	A	B	-0.8407
115	I	B	-0.1543
116	D	B	-0.4738
117	P	B	-0.3268
118	S	B	-0.5240
119	V	B	0.1877
120	R	B	-1.2770
121	G	B	0.0000
122	V	B	0.0000
123	V	B	0.0000
124	M	B	0.0000
125	V	B	0.0000
126	G	B	0.0000
127	A	B	0.0000
128	M	B	0.0291
129	R	B	0.0000
130	P	B	-0.2101
131	S	B	-0.2323
132	T	B	-0.2224
133	S	B	-0.2933
134	M	B	0.0917
135	S	B	0.0000
136	A	B	0.0000
137	D	B	0.0000
138	G	B	0.0000
139	P	B	0.1272
140	V	B	0.0000
141	V	B	0.0000
142	L	B	0.0000
143	R	B	0.0000
144	Y	B	0.0000
145	M	B	0.0000
146	L	B	0.0000
147	A	B	-0.0792
148	V	B	0.0000
149	S	B	-0.2963
150	L	B	-0.0320
151	Q	B	-0.1472
152	V	B	0.2958
153	R	B	-1.2925
154	A	B	0.0000
155	E	B	-1.1897
156	G	B	-1.2651
157	K	B	-1.6711
158	A	B	0.0000
159	R	B	-1.5325
160	V	B	0.0000
161	V	B	0.0000
162	S	B	0.0000
163	A	B	0.0000
164	L	B	0.0000
165	A	B	0.0000
166	D	B	0.0000
167	G	B	0.0000
168	G	B	0.0000
169	P	B	0.0000
170	P	B	0.0000
171	E	B	0.0000
172	E	B	0.0000
173	R	B	0.0000
174	K	B	-0.4534
175	C	B	0.0000
176	E	B	-0.3844
177	L	B	0.0000
178	L	B	0.0000
179	D	B	0.0000
180	G	B	0.0000
181	R	B	0.0000
182	D	B	0.0000
183	V	B	0.0000
184	T	B	-0.1944
185	K	B	0.0000
186	T	B	-0.3024
187	N	B	-0.4837
188	T	B	0.0000
189	T	B	-0.3351
190	D	B	-0.4709
191	V	B	0.0000
192	A	B	0.0000
193	T	B	0.0000
194	F	B	0.0000
195	K	B	-0.3865
196	S	B	0.0000
197	V	B	0.1554
198	N	B	-0.1021
199	N	B	0.0000
200	L	B	0.0909
201	P	B	0.0000
202	V	B	0.0000
203	S	B	0.0000
204	D	B	-0.4414
205	E	B	0.0000
206	L	B	0.0000
207	E	B	-0.8953
208	P	B	-0.2685
209	V	B	-0.2342
210	V	B	-0.3742
211	D	B	-1.0015
212	K	B	0.0000
213	R	B	-1.9479
214	E	B	0.0000
215	E	B	-2.6466
216	N	B	0.0000
217	R	B	-2.0346
218	K	B	0.0000
219	K	B	0.0000
220	A	B	-0.4328
221	V	B	-0.2981
222	D	B	-0.7509
223	L	B	-0.1070
224	I	B	-0.6918
225	N	B	-1.5301
226	K	B	-1.8250
227	L	B	0.0000
228	N	B	-1.6732
229	A	B	-1.1733
230	A	B	-1.3785
231	G	B	-1.6914
232	E	B	-2.3421
233	K	B	-1.8111
234	A	B	-0.7069
235	A	B	0.0000
236	I	B	0.0000
237	V	B	0.0000
238	S	B	0.0000
239	A	B	-0.0344
240	G	B	0.0000
241	V	B	-0.0050
242	G	B	0.0000
243	N	B	-0.3729
244	G	B	0.0000
245	N	B	0.0000
246	L	B	0.0000
247	Y	B	0.0735
248	K	B	-0.8543
249	S	B	-0.5348
250	V	B	0.1748
251	F	B	-0.2963
252	D	B	-1.5449
253	T	B	-0.9571
254	L	B	0.0000
255	A	B	-0.9288
256	T	B	-1.0695
257	A	B	0.0000
258	A	B	-1.3029
259	K	B	-1.8308
260	T	B	-1.2553
261	G	B	-1.0545
262	T	B	0.0000
263	A	B	-0.6934
264	V	B	0.0000
265	V	B	0.0000
266	R	B	0.0000
267	S	B	0.0000
268	S	B	0.0000
269	R	B	-0.6662
270	V	B	0.0000
271	P	B	-0.2945
272	T	B	-0.1681
273	G	B	-0.2403
274	A	B	0.0000
275	T	B	0.0000
276	T	B	0.0000
277	Q	B	-2.0230
278	D	B	-2.6039
279	A	B	-1.7270
280	E	B	-1.2224
281	V	B	0.0000
282	D	B	-2.4212
283	D	B	0.0000
284	A	B	-1.5658
285	K	B	-1.9355
286	Y	B	-1.2816
287	G	B	-1.6064
288	F	B	0.0000
289	T	B	-1.1361
290	R	B	-1.3167
291	A	B	0.0000
292	D	B	-2.0003
293	N	B	-1.1181
294	N	B	0.0000
295	L	B	0.0000
296	T	B	-0.1996
297	P	B	-0.1581
298	E	B	-0.3178
299	E	B	0.0000
300	L	B	0.0000
301	L	B	0.0096
302	A	B	0.0000
303	A	B	-0.6364
304	V	B	0.0000
305	E	B	-0.9020
306	A	B	-1.1989
307	A	B	-1.7429
308	L	B	-1.5894
309	K	B	-2.5490
310	D	B	-3.0232
311	K	B	-2.4927
312	V	B	-0.7106
313	D	B	-2.3914
314	K	B	-2.3547
22	L	C	0.8593
23	P	C	-0.1675
24	K	C	-1.3378
25	I	C	0.0000
26	V	C	-0.2842
27	K	C	0.0000
28	F	C	0.0000
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