Project name: d94b55855dac53b

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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[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                                          (00:08:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:28)

• Minimal score value: -3.7555
• Maximal score value: 2.1992
• Average score: -0.5108
• Total score value: -704.9607

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	-0.7297
2	K	A	-1.3995
3	A	A	0.0000
4	V	A	0.0000
5	Q	A	0.0000
6	Y	A	0.0000
7	T	A	-0.8457
8	E	A	-1.7276
9	I	A	-0.8502
10	G	A	-1.4580
11	S	A	-1.6361
12	E	A	-2.4186
13	P	A	0.0000
14	V	A	-0.1310
15	V	A	-0.0034
16	V	A	-0.3769
17	D	A	-1.4789
18	I	A	-0.5307
19	P	A	-0.4595
20	T	A	-0.3795
21	P	A	-0.0383
22	T	A	-0.3250
23	P	A	0.0000
24	G	A	-0.9249
25	P	A	-1.6801
26	G	A	-1.2482
27	E	A	-1.2029
28	I	A	0.0000
29	L	A	0.0000
30	L	A	0.0000
31	K	A	-1.3474
32	V	A	0.0000
33	T	A	-0.4413
34	A	A	0.0000
35	A	A	0.0000
36	G	A	0.0000
37	L	A	0.0000
38	C	A	0.0000
39	H	A	-1.1059
40	S	A	-0.5806
41	D	A	0.0000
42	I	A	0.0000
43	F	A	-0.5610
44	V	A	0.0000
45	M	A	0.0000
46	D	A	-1.9986
47	M	A	0.0000
48	P	A	-0.8316
49	A	A	-0.5904
50	A	A	-0.3259
51	Q	A	-1.0259
52	Y	A	-0.3260
53	A	A	0.0199
54	Y	A	0.1982
55	G	A	-0.0694
56	L	A	0.2399
57	P	A	-0.1589
58	L	A	0.0000
59	T	A	0.0000
60	L	A	0.0000
61	G	A	0.0000
62	H	A	0.0000
63	E	A	0.0000
64	G	A	0.0000
65	V	A	0.0000
66	G	A	0.0000
67	T	A	-0.6139
68	V	A	0.0000
69	A	A	-0.4609
70	E	A	-0.9765
71	L	A	-0.4859
72	G	A	0.0000
73	E	A	-2.5901
74	G	A	-1.7964
75	V	A	-0.9660
76	T	A	-0.4759
77	G	A	-0.4271
78	F	A	-0.0443
79	G	A	0.2087
80	V	A	1.0185
81	G	A	-0.3047
82	D	A	-0.8212
83	A	A	-1.0879
84	V	A	0.0000
85	A	A	0.0000
86	V	A	0.0000
87	Y	A	0.0000
88	G	A	0.0000
89	P	A	0.0000
90	W	A	0.0000
91	G	A	0.0000
92	C	A	-0.1017
93	G	A	-0.4674
94	A	A	-0.4337
95	C	A	-0.4828
96	H	A	-0.7357
97	A	A	0.0000
98	C	A	0.0000
99	A	A	0.0000
100	R	A	-1.3009
101	G	A	0.0000
102	R	A	-0.7780
103	E	A	0.0000
104	N	A	0.0000
105	Y	A	0.0000
106	C	A	-0.3844
107	T	A	-0.9772
108	R	A	-1.5920
109	A	A	-0.5218
110	A	A	-0.7399
111	D	A	-1.5488
112	L	A	0.2266
113	G	A	-0.2160
114	I	A	0.2198
115	T	A	0.2655
116	P	A	-0.0745
117	P	A	0.0000
118	G	A	0.0000
119	L	A	0.0000
120	G	A	-0.0566
121	S	A	-0.2068
122	P	A	-0.2579
123	G	A	0.0000
124	S	A	0.0000
125	M	A	0.0000
126	A	A	0.0000
127	E	A	-0.9388
128	Y	A	-0.5742
129	M	A	0.0000
130	I	A	-0.2451
131	V	A	0.0000
132	D	A	-0.6841
133	S	A	-0.5773
134	A	A	-0.4185
135	R	A	-0.5697
136	H	A	0.0000
137	L	A	0.0000
138	V	A	0.0000
139	P	A	-0.6784
140	I	A	0.0000
141	G	A	-1.9247
142	D	A	-2.6845
143	L	A	-1.9674
144	D	A	-2.1532
145	P	A	-1.0129
146	V	A	-0.3115
147	A	A	-0.7048
148	A	A	0.0000
149	A	A	0.0000
150	P	A	0.0000
151	L	A	0.0000
152	T	A	0.0000
153	D	A	0.0000
154	A	A	0.0000
155	G	A	0.0000
156	L	A	0.0000
157	T	A	0.0000
158	P	A	0.0000
159	Y	A	0.0000
160	H	A	0.0000
161	A	A	0.0000
162	I	A	0.0000
163	S	A	-0.0523
164	R	A	-0.2423
165	V	A	0.2077
166	L	A	0.3329
167	P	A	0.1063
168	L	A	0.3726
169	L	A	0.0000
170	G	A	-0.2016
171	P	A	0.0000
172	G	A	-0.9203
173	S	A	0.0000
174	T	A	0.0000
175	A	A	0.0000
176	V	A	0.0000
177	V	A	0.0000
178	I	A	0.0000
179	G	A	0.2332
180	V	A	0.0000
181	G	A	-0.3505
182	G	A	-0.2249
183	L	A	0.1463
184	G	A	0.0000
185	H	A	0.0000
186	V	A	0.0000
187	G	A	0.0000
188	I	A	0.0000
189	Q	A	0.0000
190	I	A	0.0000
191	L	A	0.0000
192	R	A	-1.1814
193	A	A	0.0000
194	V	A	-0.2496
195	S	A	0.0000
196	A	A	-0.7358
197	A	A	0.0000
198	R	A	-1.2351
199	V	A	0.0000
200	I	A	0.0000
201	A	A	0.0000
202	V	A	0.0000
203	D	A	0.0000
204	L	A	-0.1498
205	D	A	-2.1277
206	D	A	-3.0789
207	D	A	-2.9843
208	R	A	-2.4656
209	L	A	0.0000
210	A	A	-2.2937
211	L	A	0.0000
212	A	A	0.0000
213	R	A	-3.1251
214	E	A	-2.9877
215	V	A	-1.8965
216	G	A	-1.7096
217	A	A	-1.8152
218	D	A	-1.9078
219	A	A	-0.8918
220	A	A	-1.0963
221	V	A	-0.7114
222	K	A	-1.6961
223	S	A	-0.7423
224	G	A	-0.4173
225	A	A	-0.9634
226	G	A	-1.2815
227	A	A	0.0000
228	A	A	-2.0608
229	D	A	-2.7397
230	A	A	-1.8425
231	I	A	0.0000
232	R	A	-2.3147
233	E	A	-2.5173
234	L	A	-0.9513
235	T	A	-1.1677
236	G	A	-1.5358
237	G	A	-1.9617
238	Q	A	-1.4734
239	G	A	0.0000
240	A	A	0.0000
241	T	A	-0.1187
242	A	A	0.0000
243	V	A	0.0000
244	F	A	0.0000
245	D	A	0.0000
246	F	A	0.4833
247	V	A	0.3798
248	G	A	0.0000
249	A	A	-0.6167
250	Q	A	-1.2574
251	S	A	-1.1120
252	T	A	0.0000
253	I	A	0.0000
254	D	A	-2.4243
255	T	A	-1.7990
256	A	A	0.0000
257	Q	A	-1.3904
258	Q	A	-2.0236
259	V	A	0.0000
260	V	A	0.0000
261	A	A	-0.1485
262	V	A	0.5797
263	D	A	0.2840
264	G	A	0.0000
265	H	A	0.0000
266	I	A	0.0000
267	S	A	0.0000
268	V	A	0.0000
269	V	A	0.0000
270	G	A	0.2131
271	I	A	0.3890
272	H	A	-0.4905
273	A	A	-0.0730
274	G	A	-0.3463
275	A	A	0.0000
276	H	A	-0.7115
277	A	A	0.0000
278	K	A	-1.0664
279	V	A	0.0000
280	G	A	0.0000
281	F	A	0.0000
282	F	A	2.1992
283	M	A	0.7862
284	I	A	0.0000
285	P	A	0.7954
286	F	A	1.2550
287	G	A	0.0000
288	A	A	0.0000
289	S	A	0.1181
290	V	A	0.0000
291	V	A	0.0000
292	T	A	0.0000
293	P	A	0.0000
294	Y	A	0.4706
295	W	A	0.0000
296	G	A	0.0000
297	T	A	0.0000
298	R	A	0.0000
299	S	A	0.0000
300	E	A	0.0000
301	L	A	0.0000
302	M	A	-0.1356
303	E	A	-0.5138
304	V	A	0.0000
305	V	A	0.0000
306	A	A	-0.9632
307	L	A	0.0000
308	A	A	-1.5275
309	R	A	-2.1797
310	A	A	-1.4498
311	G	A	-1.8874
312	R	A	-2.2714
313	L	A	-1.7667
314	D	A	-2.2205
315	I	A	-0.8059
316	H	A	-0.7886
317	T	A	-0.6891
318	E	A	-0.7840
319	T	A	-0.3369
320	F	A	0.0000
321	T	A	-0.9271
322	L	A	0.0000
323	D	A	-2.1229
324	E	A	-1.9600
325	G	A	0.0000
326	P	A	-1.3121
327	A	A	-1.6590
328	A	A	0.0000
329	Y	A	0.0000
330	R	A	-3.4083
331	R	A	-2.5663
332	L	A	-2.3706
333	R	A	-3.2794
334	E	A	-3.3058
335	G	A	-2.5026
336	S	A	-1.6131
337	I	A	0.0000
338	R	A	-1.2309
339	G	A	0.0000
340	R	A	0.0000
341	G	A	0.0000
342	V	A	0.0000
343	V	A	0.0000
344	V	A	0.0560
345	P	A	-0.6291
1	M	B	-0.7098
2	K	B	-1.3807
3	A	B	0.0000
4	V	B	0.0000
5	Q	B	0.0000
6	Y	B	0.0000
7	T	B	-0.6884
8	E	B	-1.6743
9	I	B	-0.7919
10	G	B	-1.3524
11	S	B	-1.4447
12	E	B	-1.9931
13	P	B	0.0000
14	V	B	0.0069
15	V	B	0.0280
16	V	B	-0.3268
17	D	B	-1.4494
18	I	B	-0.4948
19	P	B	-0.4621
20	T	B	-0.3795
21	P	B	-0.0258
22	T	B	-0.3405
23	P	B	0.0000
24	G	B	-0.9718
25	P	B	-1.7283
26	G	B	-1.3072
27	E	B	-1.3024
28	I	B	0.0000
29	L	B	0.0000
30	L	B	0.0000
31	K	B	-1.4087
32	V	B	0.0000
33	T	B	-0.3900
34	A	B	0.0000
35	A	B	0.0000
36	G	B	0.0000
37	L	B	0.0000
38	C	B	0.0000
39	H	B	-1.1942
40	S	B	-0.5545
41	D	B	0.0000
42	I	B	0.0000
43	F	B	-0.6815
44	V	B	0.0000
45	M	B	0.0000
46	D	B	-1.7725
47	M	B	0.0000
48	P	B	-0.8382
49	A	B	-0.6060
50	A	B	-0.4581
51	Q	B	-1.1195
52	Y	B	-0.3419
53	A	B	0.0368
54	Y	B	0.2747
55	G	B	0.0370
56	L	B	0.3100
57	P	B	-0.1110
58	L	B	0.0000
59	T	B	0.0000
60	L	B	0.0000
61	G	B	0.0000
62	H	B	0.0000
63	E	B	0.0000
64	G	B	0.0000
65	V	B	0.0000
66	G	B	0.0000
67	T	B	-0.6295
68	V	B	0.0000
69	A	B	-0.5299
70	E	B	-1.1504
71	L	B	-0.5216
72	G	B	0.0000
73	E	B	-2.6258
74	G	B	-1.8635
75	V	B	-1.0095
76	T	B	-0.4567
77	G	B	-0.4081
78	F	B	0.1260
79	G	B	0.2456
80	V	B	1.0185
81	G	B	-0.3029
82	D	B	-0.7921
83	A	B	-1.0841
84	V	B	0.0000
85	A	B	0.0000
86	V	B	0.0000
87	Y	B	0.0000
88	G	B	0.0000
89	P	B	0.0000
90	W	B	0.0000
91	G	B	0.0000
92	C	B	-0.3233
93	G	B	-0.5506
94	A	B	-0.5096
95	C	B	-0.5864
96	H	B	-0.7785
97	A	B	0.0000
98	C	B	0.0000
99	A	B	0.0000
100	R	B	-1.2465
101	G	B	0.0000
102	R	B	-0.7831
103	E	B	0.0000
104	N	B	0.0000
105	Y	B	0.0000
106	C	B	-0.5665
107	T	B	-1.3056
108	R	B	-2.2541
109	A	B	-0.9266
110	A	B	-1.0196
111	D	B	-1.8783
112	L	B	-0.2445
113	G	B	-0.4893
114	I	B	-0.0123
115	T	B	0.2526
116	P	B	0.0100
117	P	B	0.0000
118	G	B	0.0000
119	L	B	0.0733
120	G	B	0.0379
121	S	B	-0.1753
122	P	B	-0.2340
123	G	B	0.0000
124	S	B	0.0000
125	M	B	0.0000
126	A	B	0.0000
127	E	B	-0.9268
128	Y	B	-0.6101
129	M	B	0.0000
130	I	B	-0.3518
131	V	B	0.0000
132	D	B	-0.8113
133	S	B	-0.6458
134	A	B	-0.4357
135	R	B	-0.6006
136	H	B	0.0000
137	L	B	0.0000
138	V	B	0.0000
139	P	B	-0.6739
140	I	B	0.0000
141	G	B	-1.9411
142	D	B	-2.7032
143	L	B	-2.0048
144	D	B	-2.3124
145	P	B	-0.9861
146	V	B	-0.2572
147	A	B	-0.7028
148	A	B	0.0000
149	A	B	0.0000
150	P	B	0.0000
151	L	B	0.0000
152	T	B	0.0000
153	D	B	0.0000
154	A	B	0.0000
155	G	B	0.0000
156	L	B	0.0000
157	T	B	0.0000
158	P	B	0.0000
159	Y	B	0.0000
160	H	B	0.0000
161	A	B	0.0000
162	I	B	0.0000
163	S	B	-0.0568
164	R	B	-0.2436
165	V	B	0.2426
166	L	B	0.3694
167	P	B	0.2070
168	L	B	0.5967
169	L	B	0.0000
170	G	B	-0.1226
171	P	B	0.0000
172	G	B	-0.8805
173	S	B	0.0000
174	T	B	0.0000
175	A	B	0.0000
176	V	B	0.0000
177	V	B	0.0000
178	I	B	0.0000
179	G	B	0.2729
180	V	B	0.0000
181	G	B	-0.3571
182	G	B	-0.2345
183	L	B	0.1690
184	G	B	0.0000
185	H	B	0.0000
186	V	B	0.0000
187	G	B	0.0000
188	I	B	0.0000
189	Q	B	0.0000
190	I	B	0.0000
191	L	B	0.0000
192	R	B	-1.2335
193	A	B	-0.7855
194	V	B	-0.2657
195	S	B	0.0000
196	A	B	-0.7072
197	A	B	0.0000
198	R	B	-1.0898
199	V	B	0.0000
200	I	B	0.0000
201	A	B	0.0000
202	V	B	0.0000
203	D	B	-0.8496
204	L	B	-0.2421
205	D	B	-2.0406
206	D	B	-2.8972
207	D	B	-2.5143
208	R	B	-2.1849
209	L	B	-2.0806
210	A	B	-2.1378
211	L	B	0.0000
212	A	B	0.0000
213	R	B	-3.0855
214	E	B	-3.0568
215	V	B	0.0000
216	G	B	-2.0248
217	A	B	0.0000
218	D	B	-1.7746
219	A	B	-0.7739
220	A	B	-1.1679
221	V	B	0.0000
222	K	B	-2.0167
223	S	B	-0.9657
224	G	B	-0.5771
225	A	B	-0.8308
226	G	B	-1.3810
227	A	B	0.0000
228	A	B	-2.0843
229	D	B	-2.7571
230	A	B	-1.9097
231	I	B	0.0000
232	R	B	-2.4464
233	E	B	-2.5330
234	L	B	-0.8486
235	T	B	-1.2532
236	G	B	-1.6457
237	G	B	-1.7995
238	Q	B	-1.7245
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