Project name: f68b24372a3d2bc

Chain sequence(s)	A: MTRPLGIHLSYWQRSWADDLIPLVDKAARAGYDGAEIPLLEPERLDLEGLRAALEGAGLQATCGTGLNPVTDITHPDEGVRRAGVAHLRRCLEAAASLGSPVLGGVTYAPWGLFPQDDRAARRQRAVASLREVSKIAADLDVCLCLEVLNRFEGYLLNTVSQGLAFLDEIDASHVKLHLDTFHLNIEEVEIESAIVAAGEQLGHFHCSENHRGFPGTGHIPWQAVDRALNAIDYRGWLVVEPYLQPEGEVGRDLFVWRSLTQTPDADARAGAEFLRSLTGA; B: MTRPLGIHLSYWQRSWADDLIPLVDKAARAGYDGAEIPLLEPERLDLEGLRAALEGAGLQATCGTGLNPVTDITHPDEGVRRAGVAHLRRCLEAAASLGSPVLGGVTYAPWGLFPQDDRAARRQRAVASLREVSKIAADLDVCLCLEVLNRFEGYLLNTVSQGLAFLDEIDASHVKLHLDTFHLNIEEVEIESAIVAAGEQLGHFHCSENHRGFPGTGHIPWQAVDRALNAIDYRGWLVVEPYLQPEGEVGRDLFVWRSLTQTPDADARAGAEFLRSLTGA
Selected Chain(s)	A,B
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                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)

• Minimal score value: -3.2693
• Maximal score value: 1.2953
• Average score: -0.7189
• Total score value: -403.9963

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	M	A	-0.4644
2	T	A	-0.5566
3	R	A	0.0000
4	P	A	-0.8033
5	L	A	0.0000
6	G	A	0.0000
7	I	A	0.0000
8	H	A	0.0000
9	L	A	0.0000
10	S	A	0.0000
11	Y	A	0.0000
12	W	A	0.0000
13	Q	A	0.0000
14	R	A	-2.3177
15	S	A	-1.8335
16	W	A	-0.8786
17	A	A	-1.1627
18	D	A	-1.6892
19	D	A	-2.1279
20	L	A	0.0000
21	I	A	-0.7401
22	P	A	-0.8541
23	L	A	0.0000
24	V	A	0.0000
25	D	A	-1.9203
26	K	A	-1.8222
27	A	A	0.0000
28	A	A	-1.9378
29	R	A	-2.4255
30	A	A	0.0000
31	G	A	-1.6554
32	Y	A	0.0000
33	D	A	-1.1039
34	G	A	0.0000
35	A	A	0.0000
36	E	A	0.0000
37	I	A	0.0000
38	P	A	0.0768
39	L	A	0.0000
40	L	A	-0.2744
41	E	A	-1.8727
42	P	A	0.0000
43	E	A	-3.2153
44	R	A	-3.1614
45	L	A	-2.4844
46	D	A	-3.0812
47	L	A	-2.1679
48	E	A	-2.6371
49	G	A	-1.8454
50	L	A	0.0000
51	R	A	-2.6855
52	A	A	-1.8873
53	A	A	-1.6316
54	L	A	0.0000
55	E	A	-2.7311
56	G	A	-1.8118
57	A	A	-1.9732
58	G	A	-1.7590
59	L	A	0.0000
60	Q	A	-2.0787
61	A	A	0.0000
62	T	A	0.0000
63	C	A	0.0000
64	G	A	0.0000
65	T	A	0.0364
66	G	A	0.0000
67	L	A	0.0000
68	N	A	0.2433
69	P	A	0.5283
70	V	A	1.2921
71	T	A	0.0000
72	D	A	0.0000
73	I	A	0.0000
74	T	A	0.0000
75	H	A	-1.4885
76	P	A	-1.9029
77	D	A	-2.7801
78	E	A	-3.2656
79	G	A	-1.9754
80	V	A	-1.2189
81	R	A	-2.0616
82	R	A	-2.4808
83	A	A	-0.8953
84	G	A	0.0000
85	V	A	0.0000
86	A	A	-0.9787
87	H	A	0.0000
88	L	A	0.0000
89	R	A	-1.7486
90	R	A	-1.9584
91	C	A	0.0000
92	L	A	0.0000
93	E	A	-1.8218
94	A	A	0.0000
95	A	A	0.0000
96	A	A	-0.9249
97	S	A	-0.9266
98	L	A	0.0000
99	G	A	-1.0794
100	S	A	0.0000
101	P	A	-0.7052
102	V	A	0.0000
103	L	A	0.0000
104	G	A	0.0000
105	G	A	-0.0108
106	V	A	0.0000
107	T	A	0.0000
108	Y	A	0.0000
109	A	A	0.0000
110	P	A	0.0000
111	W	A	0.3258
112	G	A	0.1114
113	L	A	0.6947
114	F	A	0.2025
115	P	A	-0.9522
116	Q	A	-2.1832
117	D	A	-2.6439
118	D	A	-2.9007
119	R	A	-2.1552
120	A	A	-1.4025
121	A	A	-1.5738
122	R	A	0.0000
123	R	A	-1.5273
124	Q	A	-1.7665
125	R	A	-1.6241
126	A	A	0.0000
127	V	A	0.0000
128	A	A	-1.4197
129	S	A	0.0000
130	L	A	0.0000
131	R	A	-2.9305
132	E	A	-2.9151
133	V	A	0.0000
134	S	A	0.0000
135	K	A	-3.1211
136	I	A	-2.2675
137	A	A	0.0000
138	A	A	-1.9349
139	D	A	-2.4498
140	L	A	-1.7818
141	D	A	-2.4017
142	V	A	0.0000
143	C	A	-0.4790
144	L	A	0.0000
145	C	A	0.0000
146	L	A	0.0000
147	E	A	0.0000
148	V	A	0.0000
149	L	A	0.0000
150	N	A	0.0000
151	R	A	0.0000
152	F	A	0.0000
153	E	A	0.0000
154	G	A	0.0000
155	Y	A	0.0000
156	L	A	0.0000
157	L	A	0.0000
158	N	A	0.0000
159	T	A	0.0000
160	V	A	0.0000
161	S	A	-0.2252
162	Q	A	-0.4450
163	G	A	0.0000
164	L	A	-0.5419
165	A	A	-0.9864
166	F	A	0.0000
167	L	A	0.0000
168	D	A	-2.7888
169	E	A	-2.6202
170	I	A	0.0000
171	D	A	-3.0302
172	A	A	-2.1964
173	S	A	-0.9934
174	H	A	-1.4790
175	V	A	0.0000
176	K	A	-0.9850
177	L	A	0.0000
178	H	A	0.0000
179	L	A	0.0000
180	D	A	0.0000
181	T	A	0.0000
182	F	A	0.0000
183	H	A	0.0000
184	L	A	0.0000
185	N	A	0.0000
186	I	A	0.0000
187	E	A	0.0000
188	E	A	0.1075
189	V	A	0.8177
190	E	A	-0.7496
191	I	A	0.0000
192	E	A	-0.7750
193	S	A	-0.0703
194	A	A	0.0000
195	I	A	0.0000
196	V	A	0.3396
197	A	A	0.2162
198	A	A	0.0000
199	G	A	-0.8575
200	E	A	-2.1649
201	Q	A	-1.2630
202	L	A	0.0000
203	G	A	-0.8984
204	H	A	0.0000
205	F	A	0.0000
206	H	A	0.0000
207	C	A	0.0000
208	S	A	0.0000
209	E	A	0.0000
210	N	A	0.0000
211	H	A	0.0000
212	R	A	0.0000
213	G	A	0.0000
214	F	A	0.0000
215	P	A	0.0000
216	G	A	-0.3183
217	T	A	-0.0460
218	G	A	0.0142
219	H	A	-0.3426
220	I	A	0.0000
221	P	A	-0.8417
222	W	A	0.0000
223	Q	A	-1.7468
224	A	A	-1.4794
225	V	A	0.0000
226	D	A	0.0000
227	R	A	-2.1192
228	A	A	0.0000
229	L	A	0.0000
230	N	A	-1.5741
231	A	A	-0.7599
232	I	A	-1.2742
233	D	A	-2.5977
234	Y	A	0.0000
235	R	A	-2.3925
236	G	A	-1.2924
237	W	A	0.0000
238	L	A	0.0000
239	V	A	0.0000
240	V	A	0.0000
241	E	A	0.0000
242	P	A	0.0000
243	Y	A	0.0000
244	L	A	0.0000
245	Q	A	-1.3724
246	P	A	-1.8029
247	E	A	-2.7764
248	G	A	-2.4635
249	E	A	-2.3422
250	V	A	0.0000
251	G	A	0.0000
252	R	A	-2.8351
253	D	A	-2.0241
254	L	A	0.0000
255	F	A	-0.5537
256	V	A	0.0000
257	W	A	-0.5668
258	R	A	-0.5407
259	S	A	-0.7325
260	L	A	-0.1758
261	T	A	-0.7561
262	Q	A	-1.3666
263	T	A	-0.9151
264	P	A	-0.9109
265	D	A	-1.3774
266	A	A	-1.0666
267	D	A	-1.2411
268	A	A	0.0000
269	R	A	-1.8476
270	A	A	-1.2494
271	G	A	0.0000
272	A	A	0.0000
273	E	A	-2.2543
274	F	A	-0.8685
275	L	A	0.0000
276	R	A	-1.5245
277	S	A	-0.9919
278	L	A	0.0000
279	T	A	-0.8076
280	G	A	-0.9123
281	A	A	-0.7320
1	M	B	-0.4776
2	T	B	-0.5610
3	R	B	0.0000
4	P	B	-0.8022
5	L	B	0.0000
6	G	B	0.0000
7	I	B	0.0000
8	H	B	0.0000
9	L	B	0.0000
10	S	B	0.0000
11	Y	B	0.0000
12	W	B	0.0000
13	Q	B	0.0000
14	R	B	-2.3177
15	S	B	-1.8257
16	W	B	-0.8636
17	A	B	-1.1510
18	D	B	-1.6956
19	D	B	-2.1270
20	L	B	0.0000
21	I	B	-0.7423
22	P	B	-0.8540
23	L	B	0.0000
24	V	B	0.0000
25	D	B	-1.9124
26	K	B	-1.8241
27	A	B	0.0000
28	A	B	-1.9360
29	R	B	-2.4334
30	A	B	0.0000
31	G	B	-1.6559
32	Y	B	0.0000
33	D	B	-1.0927
34	G	B	0.0000
35	A	B	0.0000
36	E	B	0.0000
37	I	B	0.0000
38	P	B	0.0877
39	L	B	0.0000
40	L	B	-0.2439
41	E	B	-1.9091
42	P	B	0.0000
43	E	B	-3.2230
44	R	B	-3.1677
45	L	B	-2.4776
46	D	B	-3.0760
47	L	B	-2.1729
48	E	B	-2.6421
49	G	B	-1.8514
50	L	B	0.0000
51	R	B	-2.7027
52	A	B	-1.8974
53	A	B	-1.6365
54	L	B	0.0000
55	E	B	-2.7367
56	G	B	-1.8128
57	A	B	-1.9738
58	G	B	-1.7566
59	L	B	0.0000
60	Q	B	-2.0819
61	A	B	0.0000
62	T	B	0.0000
63	C	B	0.0000
64	G	B	0.0000
65	T	B	0.0424
66	G	B	-0.0205
67	L	B	0.0000
68	N	B	0.2519
69	P	B	0.5310
70	V	B	1.2953
71	T	B	0.0000
72	D	B	0.0000
73	I	B	0.0000
74	T	B	0.0000
75	H	B	-1.4916
76	P	B	-1.9064
77	D	B	-2.7865
78	E	B	-3.2693
79	G	B	-1.9807
80	V	B	-1.2216
81	R	B	-2.0620
82	R	B	-2.4827
83	A	B	-0.8956
84	G	B	0.0000
85	V	B	0.0000
86	A	B	-0.9763
87	H	B	0.0000
88	L	B	0.0000
89	R	B	-1.7394
90	R	B	-1.9611
91	C	B	0.0000
92	L	B	0.0000
93	E	B	-1.8076
94	A	B	0.0000
95	A	B	0.0000
96	A	B	-0.9220
97	S	B	-0.9256
98	L	B	0.0000
99	G	B	-1.0805
100	S	B	0.0000
101	P	B	-0.7060
102	V	B	0.0000
103	L	B	0.0000
104	G	B	0.0000
105	G	B	0.0000
106	V	B	0.0000
107	T	B	0.0000
108	Y	B	0.0000
109	A	B	0.0000
110	P	B	0.0000
111	W	B	0.3343
112	G	B	0.1256
113	L	B	0.7050
114	F	B	0.2055
115	P	B	-0.9644
116	Q	B	-2.1959
117	D	B	-2.6693
118	D	B	-2.9197
119	R	B	-2.1769
120	A	B	-1.4150
121	A	B	-1.5829
122	R	B	0.0000
123	R	B	-1.5339
124	Q	B	-1.7691
125	R	B	-1.6258
126	A	B	0.0000
127	V	B	0.0000
128	A	B	-1.4201
129	S	B	0.0000
130	L	B	0.0000
131	R	B	-2.9347
132	E	B	-2.9095
133	V	B	0.0000
134	S	B	0.0000
135	K	B	-3.1219
136	I	B	-2.2673
137	A	B	0.0000
138	A	B	-1.9357
139	D	B	-2.4506
140	L	B	-1.7805
141	D	B	-2.4009
142	V	B	0.0000
143	C	B	-0.4796
144	L	B	0.0000
145	C	B	0.0000
146	L	B	0.0000
147	E	B	0.0000
148	V	B	0.0000
149	L	B	0.0000
150	N	B	0.0000
151	R	B	0.0000
152	F	B	0.0000
153	E	B	0.0000
154	G	B	0.0000
155	Y	B	0.0000
156	L	B	0.0000
157	L	B	0.0000
158	N	B	0.0000
159	T	B	0.0000
160	V	B	0.0000
161	S	B	-0.2232
162	Q	B	-0.4424
163	G	B	0.0000
164	L	B	-0.5357
165	A	B	-0.9818
166	F	B	0.0000
167	L	B	0.0000
168	D	B	-2.7852
169	E	B	-2.6170
170	I	B	0.0000
171	D	B	-3.0307
172	A	B	-2.2022
173	S	B	-0.9947
174	H	B	-1.4819
175	V	B	0.0000
176	K	B	-0.9795
177	L	B	0.0000
178	H	B	0.0000
179	L	B	0.0000
180	D	B	0.0000
181	T	B	0.0000
182	F	B	0.0000
183	H	B	0.0000
184	L	B	0.0000
185	N	B	0.0000
186	I	B	0.0000
187	E	B	0.0000
188	E	B	0.1108
189	V	B	0.8240
190	E	B	-0.7444
191	I	B	0.0000
192	E	B	-0.7752
193	S	B	-0.0682
194	A	B	0.0000
195	I	B	0.0000
196	V	B	0.3441
197	A	B	0.2188
198	A	B	0.0000
199	G	B	-0.8525
200	E	B	-2.1601
201	Q	B	-1.2560
202	L	B	0.0000
203	G	B	-0.8946
204	H	B	0.0000
205	F	B	0.0000
206	H	B	0.0000
207	C	B	0.0000
208	S	B	0.0000
209	E	B	0.0000
210	N	B	0.0000
211	H	B	0.0000
212	R	B	0.0000
213	G	B	0.0000
214	F	B	0.0000
215	P	B	0.0000
216	G	B	-0.3462
217	T	B	-0.0635
218	G	B	-0.0006
219	H	B	-0.3511
220	I	B	0.0000
221	P	B	-0.8461
222	W	B	0.0000
223	Q	B	-1.7489
224	A	B	-1.4824
225	V	B	0.0000
226	D	B	0.0000
227	R	B	-2.1289
228	A	B	0.0000
229	L	B	0.0000
230	N	B	-1.5841
231	A	B	-0.7636
232	I	B	-1.2716
233	D	B	-2.6043
234	Y	B	0.0000
235	R	B	-2.3949
236	G	B	-1.2923
237	W	B	0.0000
238	L	B	0.0000
239	V	B	0.0000
240	V	B	0.0000
241	E	B	0.0000
242	P	B	0.0000
243	Y	B	0.0000
244	L	B	0.0000
245	Q	B	-1.3634
246	P	B	-1.7833
247	E	B	-2.7653
248	G	B	-2.4494
249	E	B	-2.3238
250	V	B	0.0000
251	G	B	0.0000
252	R	B	-2.7695
253	D	B	-1.9604
254	L	B	0.0000
255	F	B	-0.5265
256	V	B	0.0000
257	W	B	-0.5594
258	R	B	-0.5426
259	S	B	-0.7302
260	L	B	-0.1779
261	T	B	-0.7588
262	Q	B	-1.3688
263	T	B	-0.9212
264	P	B	-0.9198
265	D	B	-1.3938
266	A	B	-1.0754
267	D	B	-1.2470
268	A	B	0.0000
269	R	B	-1.8495
270	A	B	-1.2521
271	G	B	0.0000
272	A	B	0.0000
273	E	B	-2.2541
274	F	B	-0.8758
275	L	B	0.0000
276	R	B	-1.5177
277	S	B	-0.9906
278	L	B	0.0000
279	T	B	-0.8050
280	G	B	-0.9144
281	A	B	-0.5481