Project name: 5dafc7bbcc90654

Chain sequence(s)	A: MNKYGIFYGYWVKNWGADLEDLKNYVAKVDELGFDIIELSCDIVDELSSSEKRELKREAENRGISFSFNTNLNPNNDISSEDEEVRRRGIRHLESCIELIDEMDGEVLTGLTYGSWNPSFRGDLEEKLSHFDRSVESWREVVKTAEKLDVKCTVEVVNRFEQFILNTAEEGVEFVDRVDSPNLGILLDTFHMNIEEDSIPEAIEKAGDKLFHLHVGENNRKPPGRGGHIQWDSIGEVLERIGFDGGIVMEPFLLAGGEIGSSVGVWRDLKGEKDLDEEVKRSLEFLKTKLG; B: MNKYGIFYGYWVKNWGADLEDLKNYVAKVDELGFDIIELSCDIVDELSSSEKRELKREAENRGISFSFNTNLNPNNDISSEDEEVRRRGIRHLESCIELIDEMDGEVLTGLTYGSWNPSFRGDLEEKLSHFDRSVESWREVVKTAEKLDVKCTVEVVNRFEQFILNTAEEGVEFVDRVDSPNLGILLDTFHMNIEEDSIPEAIEKAGDKLFHLHVGENNRKPPGRGGHIQWDSIGEVLERIGFDGGIVMEPFLLAGGEIGSSVGVWRDLKGEKDLDEEVKRSLEFLKTKLG
Selected Chain(s)	A,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                                          (00:10:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:33)

• Minimal score value: -4.5303
• Maximal score value: 0.2221
• Average score: -1.1962
• Total score value: -696.1772

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	0.1825
2	N	A	-0.9286
3	K	A	-1.0759
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	-0.0682
12	V	A	-0.7622
13	K	A	-1.8457
14	N	A	-2.0636
15	W	A	-1.1626
16	G	A	-1.7288
17	A	A	-1.9683
18	D	A	-2.9713
19	L	A	-2.4898
20	E	A	-2.9801
21	D	A	-2.4896
22	L	A	0.0000
23	K	A	-2.2904
24	N	A	-1.8180
25	Y	A	0.0000
26	V	A	0.0000
27	A	A	-1.5514
28	K	A	-1.6067
29	V	A	0.0000
30	D	A	-2.3109
31	E	A	-2.6475
32	L	A	0.0000
33	G	A	-1.7089
34	F	A	0.0000
35	D	A	-1.0969
36	I	A	0.0000
37	I	A	0.0000
38	E	A	0.0000
39	L	A	0.0000
40	S	A	-0.6909
41	C	A	0.0000
42	D	A	-2.2463
43	I	A	-1.9212
44	V	A	0.0000
45	D	A	-3.0385
46	E	A	-3.2491
47	L	A	-2.3223
48	S	A	-1.5078
49	S	A	-1.6749
50	S	A	-1.5105
51	E	A	-2.5722
52	K	A	0.0000
53	R	A	-3.2114
54	E	A	-3.4510
55	L	A	0.0000
56	K	A	-3.7351
57	R	A	-4.3522
58	E	A	-3.2967
59	A	A	0.0000
60	E	A	-4.0457
61	N	A	-3.3553
62	R	A	-2.8477
63	G	A	-2.2613
64	I	A	0.0000
65	S	A	-1.3818
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	-0.7408
72	L	A	0.0000
73	N	A	-1.5476
74	P	A	-1.4096
75	N	A	-2.4317
76	N	A	-2.5608
77	D	A	0.0000
78	I	A	0.0000
79	S	A	0.0000
80	S	A	-2.5744
81	E	A	-3.3217
82	D	A	-4.1663
83	E	A	-4.5303
84	E	A	-4.3993
85	V	A	-3.6986
86	R	A	-3.6449
87	R	A	-4.0305
88	R	A	-3.0935
89	G	A	0.0000
90	I	A	0.0000
91	R	A	-2.2398
92	H	A	-1.7147
93	L	A	0.0000
94	E	A	-1.6709
95	S	A	-1.7636
96	C	A	0.0000
97	I	A	0.0000
98	E	A	-2.9231
99	L	A	0.0000
100	I	A	0.0000
101	D	A	-3.7570
102	E	A	-3.3881
103	M	A	0.0000
104	D	A	-3.4615
105	G	A	-2.4527
106	E	A	-2.1421
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	-0.5079
117	N	A	-0.6733
118	P	A	-0.7533
119	S	A	-0.7824
120	F	A	0.0000
121	R	A	-2.6162
122	G	A	-2.3927
123	D	A	-2.4981
124	L	A	-1.6385
125	E	A	-2.3856
126	E	A	-2.6306
127	K	A	0.0000
128	L	A	-0.6282
129	S	A	-1.2821
130	H	A	-1.3394
131	F	A	0.0000
132	D	A	-1.7201
133	R	A	-2.0276
134	S	A	0.0000
135	V	A	0.0000
136	E	A	-2.9633
137	S	A	0.0000
138	W	A	0.0000
139	R	A	-3.1554
140	E	A	-2.8515
141	V	A	0.0000
142	V	A	0.0000
143	K	A	-3.3437
144	T	A	-2.7338
145	A	A	0.0000
146	E	A	-3.2633
147	K	A	-3.1159
148	L	A	-2.9019
149	D	A	-3.2982
150	V	A	0.0000
151	K	A	-1.6385
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	0.2221
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	-2.6557
170	E	A	-1.9025
171	G	A	0.0000
172	V	A	-2.4576
173	E	A	-3.2315
174	F	A	0.0000
175	V	A	0.0000
176	D	A	-3.4592
177	R	A	-3.0938
178	V	A	0.0000
179	D	A	-3.1474
180	S	A	-2.1213
181	P	A	-1.4519
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	-1.3877
197	D	A	-1.9529
198	S	A	-1.5549
199	I	A	0.0000
200	P	A	-2.1470
201	E	A	-2.7813
202	A	A	0.0000
203	I	A	0.0000
204	E	A	-2.6346
205	K	A	-2.9119
206	A	A	0.0000
207	G	A	-2.1294
208	D	A	-2.4875
209	K	A	-1.7826
210	L	A	0.0000
211	F	A	-0.7955
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	-0.5705
222	P	A	0.0000
223	P	A	0.0000
224	G	A	-1.0256
225	R	A	-1.0516
226	G	A	-1.0540
227	G	A	-1.1316
228	H	A	-0.9751
229	I	A	0.0000
230	Q	A	-1.8661
231	W	A	0.0000
232	D	A	-2.7341
233	S	A	-2.3039
234	I	A	0.0000
235	G	A	-2.6850
236	E	A	-3.4006
237	V	A	0.0000
238	L	A	0.0000
239	E	A	-3.5221
240	R	A	-3.0068
241	I	A	-2.3949
242	G	A	-2.3024
243	F	A	0.0000
244	D	A	-2.2144
245	G	A	-1.2971
246	G	A	-0.8071
247	I	A	0.0000
248	V	A	0.0000
249	M	A	0.0000
250	E	A	0.0000
251	P	A	0.0000
252	F	A	0.0000
253	L	A	0.0000
254	L	A	-0.5206
255	A	A	-1.0048
256	G	A	0.0000
257	G	A	-2.0394
258	E	A	-2.6124
259	I	A	0.0000
260	G	A	0.0000
261	S	A	-1.5978
262	S	A	-0.8859
263	V	A	0.0000
264	G	A	0.0000
265	V	A	0.0000
266	W	A	0.0000
267	R	A	-1.0278
268	D	A	-2.1097
269	L	A	-1.3300
270	K	A	-1.9189
271	G	A	-2.2519
272	E	A	-2.8884
273	K	A	-2.7664
274	D	A	-3.2312
275	L	A	-2.0906
276	D	A	-2.8393
277	E	A	-3.5756
278	E	A	0.0000
279	V	A	0.0000
280	K	A	-3.3294
281	R	A	-3.4628
282	S	A	0.0000
283	L	A	0.0000
284	E	A	-3.0106
285	F	A	-1.6858
286	L	A	0.0000
287	K	A	-1.9653
288	T	A	-1.5324
289	K	A	-2.1733
290	L	A	-1.9106
291	G	A	-1.7063
1	M	B	0.1110
2	N	B	-1.0728
3	K	B	-1.2944
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	-0.1036
12	V	B	-0.8147
13	K	B	-1.9745
14	N	B	-2.0892
15	W	B	-1.2226
16	G	B	-1.8134
17	A	B	-2.0115
18	D	B	-3.0064
19	L	B	-2.4875
20	E	B	-2.9487
21	D	B	-2.4368
22	L	B	0.0000
23	K	B	-2.1959
24	N	B	-1.7823
25	Y	B	0.0000
26	V	B	0.0000
27	A	B	-1.5600
28	K	B	-1.6570
29	V	B	0.0000
30	D	B	-2.3923
31	E	B	-2.6519
32	L	B	0.0000
33	G	B	-1.7447
34	F	B	0.0000
35	D	B	-1.3792
36	I	B	0.0000
37	I	B	0.0000
38	E	B	0.0000
39	L	B	0.0000
40	S	B	-0.7979
41	C	B	0.0000
42	D	B	-2.4847
43	I	B	0.0000
44	V	B	0.0000
45	D	B	-3.2154
46	E	B	-3.4340
47	L	B	0.0000
48	S	B	-1.6674
49	S	B	-1.8985
50	S	B	-1.6775
51	E	B	-2.7278
52	K	B	-3.0097
53	R	B	-3.6833
54	E	B	-3.3619
55	L	B	0.0000
56	K	B	-3.7068
57	R	B	-4.2981
58	E	B	-3.2151
59	A	B	0.0000
60	E	B	-3.9478
61	N	B	-3.3322
62	R	B	-2.8978
63	G	B	-2.3181
64	I	B	0.0000
65	S	B	-1.4218
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	-0.7482
72	L	B	0.0000
73	N	B	-1.5333
74	P	B	-1.4083
75	N	B	-2.4030
76	N	B	-2.4393
77	D	B	0.0000
78	I	B	0.0000
79	S	B	0.0000
80	S	B	-2.5640
81	E	B	-3.2925
82	D	B	-4.0917
83	E	B	-4.4706
84	E	B	-4.3634
85	V	B	-3.7210
86	R	B	-3.9060
87	R	B	-4.1553
88	R	B	-3.2872
89	G	B	0.0000
90	I	B	0.0000
91	R	B	-2.8741
92	H	B	-2.0553
93	L	B	0.0000
94	E	B	-1.9275
95	S	B	-1.9160
96	C	B	0.0000
97	I	B	0.0000
98	E	B	-3.0274
99	L	B	0.0000
100	I	B	0.0000
101	D	B	-3.7411
102	E	B	-3.6758
103	M	B	0.0000
104	D	B	-3.4550
105	G	B	-2.4021
106	E	B	-2.0390
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	-0.5162
117	N	B	-0.6951
118	P	B	-0.7702
119	S	B	-0.7929
120	F	B	0.0000
121	R	B	-2.5933
122	G	B	-2.3014
123	D	B	-2.2701
124	L	B	-1.4328
125	E	B	-2.2107
126	E	B	-2.5455
127	K	B	0.0000
128	L	B	-0.5182
129	S	B	-1.3952
130	H	B	-1.4729
131	F	B	0.0000
132	D	B	-2.4350
133	R	B	-2.3613
134	S	B	0.0000
135	V	B	0.0000
136	E	B	-3.1864
137	S	B	0.0000
138	W	B	0.0000
139	R	B	-3.1590
140	E	B	-2.4222
141	V	B	0.0000
142	V	B	0.0000
143	K	B	-3.2485
144	T	B	-2.6822
145	A	B	0.0000
146	E	B	-3.3260
147	K	B	-3.3184
148	L	B	-2.9147
149	D	B	-3.3001
150	V	B	0.0000
151	K	B	-1.6016
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	0.2116
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	-2.4415
170	E	B	-1.6574
171	G	B	0.0000
172	V	B	-2.2427
173	E	B	-2.7006
174	F	B	0.0000
175	V	B	0.0000
176	D	B	-3.5588
177	R	B	-3.7018
178	V	B	0.0000
179	D	B	-3.3331
180	S	B	-2.2587
181	P	B	-1.4674
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	-1.9572
198	S	B	-1.5472
199	I	B	0.0000
200	P	B	-2.1499
201	E	B	-2.7978
202	A	B	0.0000
203	I	B	0.0000
204	E	B	-2.7794
205	K	B	-2.9132
206	A	B	0.0000
207	G	B	-2.2210
208	D	B	-2.5394
209	K	B	-1.8833
210	L	B	0.0000
211	F	B	-0.7934
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	-0.5508
222	P	B	0.0000
223	P	B	0.0000
224	G	B	-0.9843
225	R	B	-1.0357
226	G	B	-1.0603
227	G	B	-1.1043
228	H	B	-0.9315
229	I	B	0.0000
230	Q	B	-1.5215
231	W	B	0.0000
232	D	B	-2.7586
233	S	B	-2.2813
234	I	B	0.0000
235	G	B	-2.7721
236	E	B	-3.4898
237	V	B	0.0000
238	L	B	0.0000
239	E	B	-3.6847
240	R	B	-3.3573
241	I	B	-2.5793
242	G	B	-2.2241
243	F	B	0.0000
244	D	B	-2.2201
245	G	B	-1.2994
246	G	B	-0.8666
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	-0.5284
255	A	B	-1.0637
256	G	B	0.0000
257	G	B	-2.0627
258	E	B	-2.6309
259	I	B	0.0000
260	G	B	0.0000
261	S	B	-1.6254
262	S	B	-0.8742
263	V	B	0.0000
264	G	B	0.0000
265	V	B	0.0000
266	W	B	0.0000
267	R	B	-1.0701
268	D	B	-2.1081
269	L	B	-1.3096
270	K	B	-1.9049
271	G	B	-2.2441
272	E	B	-2.8804
273	K	B	-2.7547
274	D	B	-3.2407
275	L	B	-2.0718
276	D	B	-2.8250
277	E	B	-3.4983
278	E	B	0.0000
279	V	B	0.0000
280	K	B	-3.0675
281	R	B	-3.3299
282	S	B	0.0000
283	L	B	0.0000
284	E	B	-2.9936
285	F	B	-1.6829
286	L	B	0.0000
287	K	B	-2.1461
288	T	B	-1.6250
289	K	B	-2.2193
290	L	B	-2.0080
291	G	B	-1.8328