Project name: a73a9457846b57f

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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:16:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:46)

• Minimal score value: -3.5297
• Maximal score value: 0.8451
• Average score: -0.6544
• Total score value: -501.2756

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	A	C	-2.2160
2	K	C	-2.9294
3	H	C	-2.0474
4	L	C	-0.5047
5	F	C	0.0000
6	T	C	0.0000
7	S	C	0.0000
8	E	C	-0.2427
9	S	C	0.0000
10	V	C	0.0000
11	S	C	0.0000
12	E	C	-0.6093
13	G	C	0.0000
14	H	C	0.0000
15	P	C	0.0000
16	D	C	0.0000
17	K	C	0.0000
18	I	C	0.0000
19	A	C	0.0000
20	D	C	0.0000
21	Q	C	-0.6782
22	I	C	0.0000
23	S	C	0.0000
24	D	C	0.0000
25	A	C	0.0000
26	V	C	0.0000
27	L	C	0.0000
28	D	C	-1.2388
29	A	C	-0.9627
30	I	C	0.0000
31	L	C	0.0000
32	E	C	-2.7767
33	Q	C	-2.3292
34	D	C	-1.9427
35	P	C	-1.8618
36	K	C	-2.1964
37	A	C	0.0000
38	R	C	-0.9705
39	V	C	0.0000
40	A	C	-0.3839
41	C	C	0.0000
42	E	C	-0.2073
43	T	C	0.0000
44	Y	C	0.0000
45	V	C	0.0000
46	K	C	-0.3089
47	T	C	-0.0966
48	G	C	-0.2568
49	M	C	0.0000
50	V	C	0.0000
51	L	C	0.0000
52	V	C	0.0000
53	G	C	0.0000
54	G	C	0.0000
55	E	C	0.0000
56	I	C	-0.4958
57	T	C	-0.8919
58	T	C	-0.6866
59	S	C	-0.3765
60	A	C	-0.1811
61	W	C	0.8451
62	V	C	-0.1552
63	D	C	-1.5999
64	I	C	-1.2647
65	E	C	-2.4357
66	E	C	-2.9454
67	I	C	-1.5757
68	T	C	0.0000
69	R	C	-2.0710
70	N	C	-2.1963
71	T	C	0.0000
72	V	C	0.0000
73	R	C	-1.9957
74	E	C	-2.4595
75	I	C	0.0000
76	G	C	-1.1682
77	Y	C	0.0000
78	V	C	-0.5661
79	H	C	-1.5325
80	S	C	-1.5579
81	D	C	-2.2191
82	M	C	-0.8015
83	G	C	-0.5426
84	F	C	0.0000
85	D	C	-1.0674
86	A	C	0.0000
87	N	C	-1.6152
88	S	C	-0.8523
89	C	C	0.0000
90	A	C	-0.2080
91	V	C	-0.1809
92	L	C	0.5588
93	S	C	0.1795
94	A	C	0.2608
95	I	C	0.1728
96	G	C	-0.7129
97	K	C	-1.7464
98	Q	C	-1.1024
99	S	C	0.0000
100	P	C	-0.7294
101	D	C	0.0000
102	I	C	-0.3257
103	N	C	-1.0203
104	Q	C	-1.2504
105	G	C	0.0000
106	V	C	0.0000
107	D	C	-1.5928
108	R	C	-1.7643
109	A	C	-1.2819
110	D	C	-1.8708
111	P	C	-1.1987
112	L	C	-0.6089
113	E	C	-1.8055
114	Q	C	-1.6024
115	G	C	0.0000
116	A	C	0.0000
117	G	C	0.0000
118	D	C	-0.3312
119	Q	C	0.0000
120	G	C	0.0000
121	L	C	0.0000
122	M	C	0.0000
123	F	C	0.0000
124	G	C	0.0000
125	Y	C	0.0000
126	A	C	0.0000
127	T	C	0.0000
128	N	C	-2.7303
129	E	C	-2.2621
130	T	C	-1.5934
131	D	C	-2.2968
132	V	C	-1.6323
133	L	C	0.0000
134	M	C	0.0000
135	P	C	0.0000
136	A	C	0.0000
137	P	C	0.0000
138	I	C	0.0000
139	T	C	-0.2071
140	Y	C	-0.2746
141	A	C	0.0000
142	H	C	0.0000
143	R	C	-1.2169
144	L	C	0.0000
145	V	C	0.0000
146	Q	C	-1.4457
147	R	C	-1.6708
148	Q	C	0.0000
149	A	C	0.0000
150	E	C	-2.6384
151	V	C	0.0000
152	R	C	-2.1845
153	K	C	-3.2906
154	N	C	-2.7693
155	G	C	-1.9574
156	T	C	-1.3052
157	L	C	0.0000
158	P	C	-0.9189
159	W	C	-0.6411
160	L	C	0.0000
161	R	C	0.0000
162	P	C	0.0000
163	D	C	0.0000
164	A	C	0.0000
165	K	C	-0.3665
166	S	C	0.0000
167	Q	C	0.0000
168	V	C	0.0000
169	T	C	0.0000
170	F	C	0.0000
171	Q	C	-0.6069
172	Y	C	0.0000
173	D	C	-2.6269
174	D	C	-3.0407
175	G	C	-2.5179
176	K	C	-2.5066
177	I	C	-0.5453
178	V	C	0.5114
179	G	C	0.0000
180	I	C	0.0000
181	D	C	-0.7347
182	A	C	0.0000
183	V	C	0.0000
184	V	C	0.0000
185	L	C	0.0000
186	S	C	0.0000
187	T	C	0.0000
188	Q	C	0.0000
189	H	C	0.0000
190	S	C	0.0000
191	E	C	-3.0577
192	E	C	-2.8474
193	I	C	-2.2523
194	D	C	-3.5297
195	Q	C	-2.9476
196	K	C	-3.3059
197	S	C	-2.4647
198	L	C	0.0000
199	Q	C	-2.5647
200	E	C	-3.2951
201	A	C	-2.2422
202	V	C	0.0000
203	M	C	-1.9591
204	E	C	-2.9487
205	E	C	-1.9718
206	I	C	0.0000
207	I	C	0.0000
208	K	C	-2.0937
209	P	C	-1.2795
210	I	C	-0.7843
211	L	C	0.0000
212	P	C	-0.7092
213	A	C	-1.0076
214	E	C	-1.4364
215	W	C	-0.2832
216	L	C	-0.6559
217	T	C	-0.6596
218	S	C	-0.5144
219	A	C	-0.5174
220	T	C	0.0000
221	K	C	-1.4796
222	F	C	-0.1635
223	F	C	0.1018
224	I	C	0.0000
225	N	C	0.0000
226	P	C	-0.2131
227	T	C	0.0000
228	G	C	-1.0204
229	R	C	-1.2148
230	F	C	0.0000
231	V	C	-0.6398
232	I	C	-0.0196
233	G	C	0.0000
234	G	C	0.0000
235	P	C	0.0000
236	M	C	0.1315
237	G	C	-0.3009
238	D	C	-0.7903
239	C	C	0.0000
240	G	C	0.0000
241	L	C	0.0000
242	T	C	0.0000
243	G	C	0.0000
244	R	C	-0.3987
245	K	C	-0.3591
246	I	C	0.0000
247	I	C	0.0000
248	V	C	0.0000
249	D	C	0.0000
250	T	C	0.0000
251	Y	C	0.0000
252	G	C	0.0000
253	G	C	0.0000
254	M	C	0.0477
255	A	C	0.0000
256	R	C	-0.3149
257	H	C	0.0000
258	G	C	0.0000
259	G	C	-0.3425
260	G	C	-0.2998
261	A	C	0.0000
262	F	C	0.0000
263	S	C	0.0000
264	G	C	0.0000
265	K	C	0.0000
266	D	C	0.0000
267	P	C	0.0000
268	S	C	0.0000
269	K	C	-0.4437
270	V	C	0.0000
271	D	C	-0.4235
272	R	C	0.0000
273	S	C	0.0000
274	A	C	0.0000
275	A	C	0.0000
276	Y	C	0.0000
277	A	C	0.0000
278	A	C	0.0000
279	R	C	0.0000
280	Y	C	0.0000
281	V	C	0.0000
282	A	C	0.0000
283	K	C	0.0000
284	N	C	0.0000
285	I	C	0.0000
286	V	C	0.0000
287	A	C	-1.1329
288	A	C	0.0000
289	G	C	-1.3527
290	L	C	0.0000
291	A	C	0.0000
292	D	C	-3.0499
293	R	C	-2.2573
294	C	C	0.0000
295	E	C	0.0000
296	I	C	0.0000
297	Q	C	0.0000
298	V	C	0.0000
299	S	C	0.0000
300	Y	C	0.0000
301	A	C	0.0000
302	I	C	0.0000
303	G	C	0.0000
304	V	C	-0.6187
305	A	C	0.0000
306	E	C	-2.2130
307	P	C	-1.0657
308	T	C	-0.6767
309	S	C	0.0000
310	I	C	0.0456
311	M	C	0.0000
312	V	C	-0.2690
313	E	C	-0.7435
314	T	C	0.0000
315	F	C	-0.2962
316	G	C	-1.0873
317	T	C	-1.5353
318	E	C	-2.0551
319	K	C	-2.2637
320	V	C	-1.4757
321	P	C	-1.6302
322	S	C	-1.7908
323	E	C	-2.1812
324	Q	C	-1.4867
325	L	C	0.0000
326	T	C	-0.7962
327	L	C	-0.1128
328	L	C	0.0000
329	V	C	0.0000
330	R	C	-1.7571
331	E	C	-2.0197
332	F	C	-0.5716
333	F	C	0.0000
334	D	C	-1.4889
335	L	C	0.0000
336	R	C	-1.3853
337	P	C	0.0000
338	Y	C	0.0000
339	G	C	0.0000
340	L	C	0.0000
341	I	C	-0.9514
342	Q	C	-1.6805
343	M	C	-0.9345
344	L	C	0.0000
345	D	C	-2.1156
346	L	C	0.0000
347	L	C	-1.1215
348	H	C	-1.4510
349	P	C	-1.1893
350	I	C	-0.5084
351	Y	C	0.0000
352	K	C	-1.5075
353	E	C	-1.9206
354	T	C	0.0000
355	A	C	0.0000
356	A	C	0.0000
357	Y	C	-0.4681
358	G	C	0.0000
359	H	C	0.0000
360	F	C	0.0000
361	G	C	-1.2230
362	R	C	-1.7676
363	E	C	-3.1335
364	H	C	-2.3950
365	F	C	0.0000
366	P	C	-1.4800
367	W	C	0.0000
368	E	C	0.0000
369	K	C	-2.7647
370	T	C	-1.7775
371	D	C	-1.4040
372	K	C	-1.0114
373	A	C	0.0000
374	Q	C	-1.1933
375	L	C	0.0825
376	L	C	0.0000
377	R	C	-1.3453
378	D	C	-1.7544
379	A	C	-0.9428
380	A	C	-0.9697
381	G	C	-0.9614
382	L	C	-0.8658
383	K	C	-1.6804
1	A	D	-2.1484
2	K	D	-2.8029
3	H	D	-1.7347
4	L	D	-0.3943
5	F	D	0.0000
6	T	D	0.0000
7	S	D	0.0000
8	E	D	-0.2869
9	S	D	0.0000
10	V	D	0.0000
11	S	D	0.0000
12	E	D	-0.6683
13	G	D	0.0000
14	H	D	0.0000
15	P	D	0.0000
16	D	D	0.0000
17	K	D	0.0000
18	I	D	0.0000
19	A	D	0.0000
20	D	D	0.0000
21	Q	D	-0.6785
22	I	D	0.0000
23	S	D	0.0000
24	D	D	0.0000
25	A	D	0.0000
26	V	D	0.0000
27	L	D	0.0000
28	D	D	-1.2591
29	A	D	-0.9673
30	I	D	0.0000
31	L	D	0.0000
32	E	D	-2.8090
33	Q	D	-2.3290
34	D	D	-1.9685
35	P	D	-1.9240
36	K	D	-2.2170
37	A	D	0.0000
38	R	D	0.0000
39	V	D	0.0000
40	A	D	-0.3689
41	C	D	0.0000
42	E	D	-0.2120
43	T	D	0.0000
44	Y	D	0.0000
45	V	D	0.0000
46	K	D	0.0000
47	T	D	-0.0022
48	G	D	-0.1862
49	M	D	0.2426
50	V	D	0.0000
51	L	D	0.0000
52	V	D	0.0000
53	G	D	0.0000
54	G	D	0.0000
55	E	D	0.0000
56	I	D	0.0000
57	T	D	-0.9313
58	T	D	-0.6931
59	S	D	-0.3636
60	A	D	-0.1771
61	W	D	0.8202
62	V	D	-0.2135
63	D	D	-1.7323
64	I	D	-1.3503
65	E	D	-2.6387
66	E	D	-2.9856
67	I	D	-1.6066
68	T	D	0.0000
69	R	D	-2.0800
70	N	D	-2.2101
71	T	D	0.0000
72	V	D	0.0000
73	R	D	-1.9314
74	E	D	-2.4332
75	I	D	0.0000
76	G	D	-1.1455
77	Y	D	0.0000
78	V	D	-0.6195
79	H	D	-1.5661
80	S	D	-1.5839
81	D	D	-2.2361
82	M	D	-0.8252
83	G	D	-0.6018
84	F	D	0.0000
85	D	D	-1.0752
86	A	D	0.0000
87	N	D	-1.8060
88	S	D	-0.8696
89	C	D	0.0000
90	A	D	-0.1309
91	V	D	-0.1258
92	L	D	0.6528
93	S	D	0.2006
94	A	D	0.2034
95	I	D	0.0712
96	G	D	-0.8171
97	K	D	-1.7885
98	Q	D	-1.0898
99	S	D	0.0000
100	P	D	-0.7556
101	D	D	0.0000
102	I	D	-0.4716
103	N	D	-1.0219
104	Q	D	-1.2679
105	G	D	0.0000
106	V	D	0.0000
107	D	D	-1.4505
108	R	D	-1.5404
109	A	D	-1.0189
110	D	D	-1.3350
111	P	D	-0.7059
112	L	D	0.0284
113	E	D	-1.3985
114	Q	D	0.0000
115	G	D	0.0000
116	A	D	0.0000
117	G	D	-0.4223
118	D	D	-0.4652
119	Q	D	0.0000
120	G	D	0.0000
121	L	D	0.0000
122	M	D	0.0000
123	F	D	0.0000
124	G	D	0.0000
125	Y	D	0.0000
126	A	D	0.0000
127	T	D	0.0000
128	N	D	-2.7493
129	E	D	-2.2955
130	T	D	-1.6037
131	D	D	-2.2965
132	V	D	-1.5442
133	L	D	0.0000
134	M	D	0.0000
135	P	D	0.0000
136	A	D	0.0000
137	P	D	0.0000
138	I	D	0.0000
139	T	D	-0.1881
140	Y	D	-0.2606
141	A	D	0.0000
142	H	D	0.0000
143	R	D	-1.2564
144	L	D	0.0000
145	V	D	0.0000
146	Q	D	-1.6791
147	R	D	-1.9096
148	Q	D	0.0000
149	A	D	0.0000
150	E	D	-2.9448
151	V	D	0.0000
152	R	D	-2.3244
153	K	D	-3.3900
154	N	D	-2.8375
155	G	D	-1.9908
156	T	D	-1.3375
157	L	D	0.0000
158	P	D	-0.9302
159	W	D	-0.6480
160	L	D	0.0000
161	R	D	0.0000
162	P	D	0.0000
163	D	D	0.0000
164	A	D	0.0000
165	K	D	-0.3816
166	S	D	0.0000
167	Q	D	0.0000
168	V	D	0.0000
169	T	D	0.0000
170	F	D	0.0000
171	Q	D	-0.4674
172	Y	D	0.0000
173	D	D	-2.4342
174	D	D	-2.9659
175	G	D	-2.4466
176	K	D	-2.4176
177	I	D	-0.4857
178	V	D	0.5734
179	G	D	0.0000
180	I	D	0.0000
181	D	D	-0.7001
182	A	D	0.0000
183	V	D	0.0000
184	V	D	0.0000
185	L	D	0.0000
186	S	D	0.0000
187	T	D	0.0000
188	Q	D	0.0000
189	H	D	0.0000
190	S	D	0.0000
191	E	D	-2.9965
192	E	D	-2.7934
193	I	D	-2.1797
194	D	D	-3.2223
195	Q	D	-3.1741
196	K	D	-3.3960
197	S	D	-2.4297
198	L	D	0.0000
199	Q	D	-2.6728
200	E	D	-3.1851
201	A	D	-2.3081
202	V	D	0.0000
203	M	D	-2.0354
204	E	D	-3.0207
205	E	D	-2.0286
206	I	D	0.0000
207	I	D	0.0000
208	K	D	-2.2778
209	P	D	-1.3831
210	I	D	-0.8666
211	L	D	0.0000
212	P	D	-0.7212
213	A	D	-1.0163
214	E	D	-1.4123
215	W	D	-0.2401
216	L	D	-0.6076
217	T	D	-0.6244
218	S	D	-0.4980
219	A	D	-0.4983
220	T	D	0.0000
221	K	D	-1.4472
222	F	D	-0.1169
223	F	D	0.1075
224	I	D	0.0000
225	N	D	0.0000
226	P	D	-0.2274
227	T	D	0.0000
228	G	D	-1.0306
229	R	D	-1.1604
230	F	D	-0.2554
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