Project name: 881385aff9c0140

Chain sequence(s)	A: MNKYGIFYGYWVKNWGADLEDLKNYVAKVDELGFDIIELSCDIVDELSSSEKRELKREAENRGISFSFNTNLNPNNDISSEDEEVRRRGIRHLESCIELIDEMDGEVLTGLTYGSWNPSFRGDLEEKLSHFDRSVESWREVVKTAEKLDVKCTVEVVNRFEQFILNTAEEGVEFVDRVDSPNLGILLDTFHMNIEEDSIPEAIEKAGDKLFHLHVGENNRKPPGRGGHIQWDSIGEVLERIGFDGGIVMEPFLLAGGEIGSSVGVWRDLKGEKDLDEEVKRSLEFLKTKLG; B: MNKYGIFYGYWVKNWGADLEDLKNYVAKVDELGFDIIELSCDIVDELSSSEKRELKREAENRGISFSFNTNLNPNNDISSEDEEVRRRGIRHLESCIELIDEMDGEVLTGLTYGSWNPSFRGDLEEKLSHFDRSVESWREVVKTAEKLDVKCTVEVVNRFEQFILNTAEEGVEFVDRVDSPNLGILLDTFHMNIEEDSIPEAIEKAGDKLFHLHVGENNRKPPGRGGHIQWDSIGEVLERIGFDGGIVMEPFLLAGGEIGSSVGVWRDLKGEKDLDEEVKRSLEFLKTKLG
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.                                          (00:00:06)

• Minimal score value: -4.6459
• Maximal score value: 0.1908
• Average score: -1.1468
• Total score value: -667.4407

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	0.1008
2	N	A	-1.0831
3	K	A	-1.4257
4	Y	A	0.0000
5	G	A	0.0000
6	I	A	0.0000
7	F	A	0.0000
8	Y	A	0.0000
9	G	A	0.0000
10	Y	A	0.0000
11	W	A	-0.1582
12	V	A	-0.9969
13	K	A	-2.2821
14	N	A	-2.2015
15	W	A	-1.2554
16	G	A	-1.8185
17	A	A	-1.9966
18	D	A	-3.1000
19	L	A	-2.5257
20	E	A	-3.0999
21	D	A	-2.6870
22	L	A	0.0000
23	K	A	-2.2508
24	N	A	-2.1746
25	Y	A	0.0000
26	V	A	0.0000
27	A	A	-1.6484
28	K	A	-1.6059
29	V	A	0.0000
30	D	A	-2.3418
31	E	A	-2.5769
32	L	A	0.0000
33	G	A	-1.6704
34	F	A	0.0000
35	D	A	-1.3573
36	I	A	0.0000
37	I	A	0.0000
38	E	A	0.0000
39	L	A	0.0000
40	S	A	-0.6695
41	C	A	0.0000
42	D	A	-2.1155
43	I	A	0.0000
44	V	A	0.0000
45	D	A	-2.9993
46	E	A	-3.3110
47	L	A	0.0000
48	S	A	-1.5877
49	S	A	-1.7327
50	S	A	-1.5244
51	E	A	-2.5137
52	K	A	-2.7497
53	R	A	-3.3431
54	E	A	-2.8118
55	L	A	0.0000
56	K	A	-3.5169
57	R	A	-4.0010
58	E	A	-3.0731
59	A	A	0.0000
60	E	A	-3.8818
61	N	A	-3.3110
62	R	A	-2.8742
63	G	A	-2.2887
64	I	A	0.0000
65	S	A	-1.3983
66	F	A	0.0000
67	S	A	0.0000
68	F	A	0.0000
69	N	A	0.0000
70	T	A	0.0000
71	N	A	-0.6692
72	L	A	0.0000
73	N	A	-1.4665
74	P	A	-1.4373
75	N	A	-2.5703
76	N	A	-2.8805
77	D	A	-2.3017
78	I	A	0.0000
79	S	A	0.0000
80	S	A	-2.6621
81	E	A	-3.3671
82	D	A	-4.1733
83	E	A	-4.5656
84	E	A	-4.3893
85	V	A	0.0000
86	R	A	-3.9159
87	R	A	-4.2649
88	R	A	-3.7890
89	G	A	0.0000
90	I	A	-2.3153
91	R	A	-2.8640
92	H	A	-1.9917
93	L	A	0.0000
94	E	A	0.0000
95	S	A	-1.6361
96	C	A	0.0000
97	I	A	0.0000
98	E	A	-2.4648
99	L	A	0.0000
100	I	A	0.0000
101	D	A	-3.2285
102	E	A	-2.9839
103	M	A	0.0000
104	D	A	-3.1737
105	G	A	-2.1560
106	E	A	-1.7976
107	V	A	0.0000
108	L	A	0.0000
109	T	A	0.0000
110	G	A	0.0000
111	L	A	0.0000
112	T	A	0.0000
113	Y	A	0.0000
114	G	A	0.0000
115	S	A	0.0000
116	W	A	-0.4737
117	N	A	-0.6524
118	P	A	-0.7551
119	S	A	-0.7876
120	F	A	0.0000
121	R	A	-2.5860
122	G	A	-2.2135
123	D	A	-2.0889
124	L	A	-1.1695
125	E	A	-2.0855
126	E	A	-2.3502
127	K	A	0.0000
128	L	A	-0.3223
129	S	A	-1.1563
130	H	A	-1.2902
131	F	A	0.0000
132	D	A	-1.6979
133	R	A	-2.0615
134	S	A	0.0000
135	V	A	0.0000
136	E	A	-3.0096
137	S	A	0.0000
138	W	A	0.0000
139	R	A	-3.2452
140	E	A	-2.7875
141	V	A	0.0000
142	V	A	0.0000
143	K	A	-3.3139
144	T	A	-2.6268
145	A	A	0.0000
146	E	A	-3.3023
147	K	A	-3.1031
148	L	A	-2.7215
149	D	A	-3.2279
150	V	A	0.0000
151	K	A	-1.6342
152	C	A	0.0000
153	T	A	0.0000
154	V	A	0.0000
155	E	A	0.0000
156	V	A	0.0000
157	V	A	0.0000
158	N	A	0.0000
159	R	A	0.0000
160	F	A	0.1908
161	E	A	0.0000
162	Q	A	0.0000
163	F	A	0.0000
164	I	A	0.0000
165	L	A	0.0000
166	N	A	0.0000
167	T	A	0.0000
168	A	A	0.0000
169	E	A	-2.5906
170	E	A	-1.7560
171	G	A	0.0000
172	V	A	-2.3076
173	E	A	-2.9045
174	F	A	0.0000
175	V	A	0.0000
176	D	A	-3.1557
177	R	A	-3.0182
178	V	A	0.0000
179	D	A	-3.0732
180	S	A	0.0000
181	P	A	-1.4298
182	N	A	0.0000
183	L	A	0.0000
184	G	A	0.0000
185	I	A	0.0000
186	L	A	0.0000
187	L	A	0.0000
188	D	A	0.0000
189	T	A	0.0000
190	F	A	0.0000
191	H	A	0.0000
192	M	A	0.0000
193	N	A	0.0000
194	I	A	0.0000
195	E	A	0.0000
196	E	A	0.0000
197	D	A	-1.5457
198	S	A	-1.3539
199	I	A	0.0000
200	P	A	-2.2229
201	E	A	-2.8551
202	A	A	0.0000
203	I	A	0.0000
204	E	A	-3.0792
205	K	A	-3.1994
206	A	A	0.0000
207	G	A	-2.3250
208	D	A	-2.5367
209	K	A	-1.7731
210	L	A	0.0000
211	F	A	-0.8043
212	H	A	0.0000
213	L	A	0.0000
214	H	A	0.0000
215	V	A	0.0000
216	G	A	0.0000
217	E	A	0.0000
218	N	A	0.0000
219	N	A	0.0000
220	R	A	0.0000
221	K	A	-0.6304
222	P	A	0.0000
223	P	A	0.0000
224	G	A	-1.0324
225	R	A	-1.1115
226	G	A	-1.0304
227	G	A	-1.0317
228	H	A	-0.9596
229	I	A	0.0000
230	Q	A	-1.9034
231	W	A	0.0000
232	D	A	-2.8701
233	S	A	-2.3873
234	I	A	0.0000
235	G	A	-2.7318
236	E	A	-3.5228
237	V	A	0.0000
238	L	A	0.0000
239	E	A	-3.6863
240	R	A	-3.3913
241	I	A	-2.6504
242	G	A	-2.4042
243	F	A	0.0000
244	D	A	-2.2698
245	G	A	-1.3210
246	G	A	-0.8953
247	I	A	0.0000
248	V	A	0.0000
249	M	A	0.0000
250	E	A	-0.2035
251	P	A	0.0000
252	F	A	0.0000
253	L	A	0.0000
254	L	A	-0.5900
255	A	A	-1.0339
256	G	A	0.0000
257	G	A	-2.0919
258	E	A	-2.8267
259	I	A	0.0000
260	G	A	0.0000
261	S	A	-1.6658
262	S	A	-0.9111
263	V	A	0.0000
264	G	A	0.0000
265	V	A	0.0000
266	W	A	0.0000
267	R	A	-0.9958
268	D	A	-2.1302
269	L	A	0.0000
270	K	A	-2.0635
271	G	A	-2.3466
272	E	A	-3.0165
273	K	A	-2.9005
274	D	A	-3.1098
275	L	A	-1.8857
276	D	A	-2.2585
277	E	A	-2.7353
278	E	A	0.0000
279	V	A	0.0000
280	K	A	-2.6420
281	R	A	-2.5473
282	S	A	0.0000
283	L	A	0.0000
284	E	A	-2.6461
285	F	A	-1.4380
286	L	A	0.0000
287	K	A	-1.6953
288	T	A	-1.3704
289	K	A	-2.0288
290	L	A	-1.8088
291	G	A	-1.6246
1	M	B	0.0622
2	N	B	-1.1156
3	K	B	-1.3973
4	Y	B	0.0000
5	G	B	0.0000
6	I	B	0.0000
7	F	B	0.0000
8	Y	B	0.0000
9	G	B	0.0000
10	Y	B	0.0000
11	W	B	-0.1472
12	V	B	-0.9674
13	K	B	-2.2233
14	N	B	-2.1617
15	W	B	-1.2471
16	G	B	-1.8262
17	A	B	-2.0106
18	D	B	-3.1038
19	L	B	-2.5371
20	E	B	-3.1081
21	D	B	-2.6915
22	L	B	0.0000
23	K	B	-2.2167
24	N	B	-2.1520
25	Y	B	0.0000
26	V	B	0.0000
27	A	B	-1.6334
28	K	B	-1.5897
29	V	B	0.0000
30	D	B	-2.3364
31	E	B	-2.5756
32	L	B	0.0000
33	G	B	-1.6727
34	F	B	0.0000
35	D	B	-1.3485
36	I	B	0.0000
37	I	B	0.0000
38	E	B	0.0000
39	L	B	0.0000
40	S	B	-0.7156
41	C	B	0.0000
42	D	B	-2.2451
43	I	B	0.0000
44	V	B	0.0000
45	D	B	-3.1375
46	E	B	-3.3839
47	L	B	0.0000
48	S	B	-1.6046
49	S	B	-1.7427
50	S	B	-1.4991
51	E	B	-2.4798
52	K	B	-2.7106
53	R	B	-3.2563
54	E	B	-2.6977
55	L	B	0.0000
56	K	B	-3.3238
57	R	B	-3.8369
58	E	B	-2.9736
59	A	B	0.0000
60	E	B	-3.8049
61	N	B	-3.2680
62	R	B	-2.8606
63	G	B	-2.2790
64	I	B	0.0000
65	S	B	-1.3731
66	F	B	0.0000
67	S	B	0.0000
68	F	B	0.0000
69	N	B	0.0000
70	T	B	0.0000
71	N	B	-0.6814
72	L	B	0.0000
73	N	B	-1.4588
74	P	B	-1.4335
75	N	B	-2.5882
76	N	B	-2.7192
77	D	B	-2.3591
78	I	B	0.0000
79	S	B	0.0000
80	S	B	-2.7005
81	E	B	-3.4091
82	D	B	-4.2557
83	E	B	-4.6459
84	E	B	-4.6113
85	V	B	0.0000
86	R	B	-4.1686
87	R	B	-4.2860
88	R	B	-3.8195
89	G	B	0.0000
90	I	B	0.0000
91	R	B	-2.6414
92	H	B	-1.9017
93	L	B	0.0000
94	E	B	-1.4755
95	S	B	-1.4260
96	C	B	0.0000
97	I	B	0.0000
98	E	B	-2.0025
99	L	B	0.0000
100	I	B	0.0000
101	D	B	-3.0057
102	E	B	-2.8116
103	M	B	0.0000
104	D	B	-3.0882
105	G	B	-2.0716
106	E	B	-1.7887
107	V	B	0.0000
108	L	B	0.0000
109	T	B	0.0000
110	G	B	0.0000
111	L	B	0.0000
112	T	B	0.0000
113	Y	B	0.0000
114	G	B	0.0000
115	S	B	0.0000
116	W	B	-0.4847
117	N	B	-0.6734
118	P	B	-0.7672
119	S	B	-0.7952
120	F	B	0.0000
121	R	B	-2.5901
122	G	B	-2.2204
123	D	B	-2.1113
124	L	B	-1.2019
125	E	B	-2.0957
126	E	B	-2.3558
127	K	B	0.0000
128	L	B	-0.3093
129	S	B	-1.1483
130	H	B	-1.2830
131	F	B	0.0000
132	D	B	-1.6904
133	R	B	-2.0575
134	S	B	0.0000
135	V	B	0.0000
136	E	B	-2.9172
137	S	B	0.0000
138	W	B	0.0000
139	R	B	-3.0198
140	E	B	-2.3227
141	V	B	0.0000
142	V	B	0.0000
143	K	B	-3.1863
144	T	B	-2.4668
145	A	B	0.0000
146	E	B	-3.2886
147	K	B	-3.1894
148	L	B	-2.5987
149	D	B	-3.2267
150	V	B	0.0000
151	K	B	-1.6305
152	C	B	0.0000
153	T	B	0.0000
154	V	B	0.0000
155	E	B	0.0000
156	V	B	0.0000
157	V	B	0.0000
158	N	B	0.0000
159	R	B	0.0000
160	F	B	0.1816
161	E	B	0.0000
162	Q	B	0.0000
163	F	B	0.0000
164	I	B	0.0000
165	L	B	0.0000
166	N	B	0.0000
167	T	B	0.0000
168	A	B	0.0000
169	E	B	-2.5901
170	E	B	-1.7640
171	G	B	0.0000
172	V	B	-2.3232
173	E	B	-2.9182
174	F	B	0.0000
175	V	B	0.0000
176	D	B	-3.1854
177	R	B	-3.0311
178	V	B	0.0000
179	D	B	-3.0794
180	S	B	0.0000
181	P	B	-1.4266
182	N	B	0.0000
183	L	B	0.0000
184	G	B	0.0000
185	I	B	0.0000
186	L	B	0.0000
187	L	B	0.0000
188	D	B	0.0000
189	T	B	0.0000
190	F	B	0.0000
191	H	B	0.0000
192	M	B	0.0000
193	N	B	0.0000
194	I	B	0.0000
195	E	B	0.0000
196	E	B	0.0000
197	D	B	-1.6142
198	S	B	-1.3858
199	I	B	0.0000
200	P	B	-2.2353
201	E	B	-2.8515
202	A	B	0.0000
203	I	B	0.0000
204	E	B	-3.0408
205	K	B	-3.1642
206	A	B	0.0000
207	G	B	-2.3085
208	D	B	-2.5303
209	K	B	-1.7783
210	L	B	0.0000
211	F	B	-0.7947
212	H	B	0.0000
213	L	B	0.0000
214	H	B	0.0000
215	V	B	0.0000
216	G	B	0.0000
217	E	B	0.0000
218	N	B	0.0000
219	N	B	0.0000
220	R	B	0.0000
221	K	B	-0.6011
222	P	B	0.0000
223	P	B	0.0000
224	G	B	-1.0498
225	R	B	-1.1347
226	G	B	-1.0271
227	G	B	-1.0126
228	H	B	-0.8848
229	I	B	0.0000
230	Q	B	-1.9032
231	W	B	0.0000
232	D	B	-2.8650
233	S	B	-2.3926
234	I	B	0.0000
235	G	B	-2.7450
236	E	B	-3.4777
237	V	B	0.0000
238	L	B	0.0000
239	E	B	-3.6825
240	R	B	-3.3852
241	I	B	-2.6387
242	G	B	-2.2206
243	F	B	0.0000
244	D	B	-2.2543
245	G	B	-1.3069
246	G	B	-0.8853
247	I	B	0.0000
248	V	B	0.0000
249	M	B	0.0000
250	E	B	0.0000
251	P	B	0.0000
252	F	B	0.0000
253	L	B	0.0000
254	L	B	-0.5928
255	A	B	-1.0288
256	G	B	0.0000
257	G	B	-2.0541
258	E	B	-2.8168
259	I	B	0.0000
260	G	B	0.0000
261	S	B	-1.6561
262	S	B	-0.9157
263	V	B	0.0000
264	G	B	0.0000
265	V	B	0.0000
266	W	B	0.0000
267	R	B	-0.9854
268	D	B	-2.1286
269	L	B	0.0000
270	K	B	-2.0560
271	G	B	-2.3415
272	E	B	-3.0108
273	K	B	-2.8866
274	D	B	-3.0998
275	L	B	-1.8798
276	D	B	-2.2495
277	E	B	-2.7170
278	E	B	0.0000
279	V	B	0.0000
280	K	B	-2.6390
281	R	B	-2.5416
282	S	B	0.0000
283	L	B	0.0000
284	E	B	-2.6406
285	F	B	-1.4292
286	L	B	0.0000
287	K	B	-1.7000
288	T	B	-1.3664
289	K	B	-2.0219
290	L	B	-1.8198
291	G	B	-1.6601