Project name: 685930c31b6e29

Chain sequence(s)	A: STAGKVIKCKAAVLWELKKPFSIEEVEVAPPKAHEVRIKMVAVGICGTDDHVVSGTMVTPLPVILGHEAAGIVESVGEGVTTVKPGDKVIPLAIPQCGKCRICKNPESNYCLKNDVSNPQGTLQDGTSRFTCRRKPIHHFLGISTFSQYTVVDENAVAKIDAASPLEKVCLIGCGFSTGYGSAVNVAKVTPGSTCAVFGLGGVGLSAIMGCKAAGAARIIAVDINKDKFAKAKELGATECINPQDYKKPIQEVLKEMTDGGVDFSFEVIGRLDTMMASLLCCHEACGTSVIVGVPPDSQNLSMNPMLLLTGRTWKGAILGGFKSKECVPKLVADFMAKKFSLDALITHVLPFEKINEGFDLLHSGKSIRTILMF; B: STAGKVIKCKAAVLWELKKPFSIEEVEVAPPKAHEVRIKMVAVGICGTDDHVVSGTMVTPLPVILGHEAAGIVESVGEGVTTVKPGDKVIPLAIPQCGKCRICKNPESNYCLKNDVSNPQGTLQDGTSRFTCRRKPIHHFLGISTFSQYTVVDENAVAKIDAASPLEKVCLIGCGFSTGYGSAVNVAKVTPGSTCAVFGLGGVGLSAIMGCKAAGAARIIAVDINKDKFAKAKELGATECINPQDYKKPIQEVLKEMTDGGVDFSFEVIGRLDTMMASLLCCHEACGTSVIVGVPPDSQNLSMNPMLLLTGRTWKGAILGGFKSKECVPKLVADFMAKKFSLDALITHVLPFEKINEGFDLLHSGKSIRTILMF
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]                                                (00:00:00)
[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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:55)

• Minimal score value: -3.5913
• Maximal score value: 1.5898
• Average score: -0.6763
• Total score value: -505.8773

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	S	A	-0.5191
2	T	A	-0.8231
3	A	A	-0.6627
4	G	A	-1.2107
5	K	A	-1.8013
6	V	A	-0.7391
7	I	A	0.0000
8	K	A	-2.5331
9	C	A	-1.9323
10	K	A	-2.2786
11	A	A	0.0000
12	A	A	0.0000
13	V	A	0.0000
14	L	A	0.0000
15	W	A	-0.8194
16	E	A	-2.1237
17	L	A	-1.2585
18	K	A	-2.6762
19	K	A	-2.9087
20	P	A	-1.9989
21	F	A	0.0000
22	S	A	-0.7287
23	I	A	-0.8884
24	E	A	-1.4207
25	E	A	-3.0196
26	V	A	0.0000
27	E	A	-1.9799
28	V	A	0.0000
29	A	A	-0.6079
30	P	A	-0.6901
31	P	A	-1.0489
32	K	A	-1.7528
33	A	A	-1.8181
34	H	A	-1.7497
35	E	A	0.0000
36	V	A	0.0000
37	R	A	0.0000
38	I	A	0.0000
39	K	A	-0.6660
40	M	A	0.0000
41	V	A	0.5549
42	A	A	0.0000
43	V	A	0.0000
44	G	A	0.0000
45	I	A	0.0000
46	C	A	0.0000
47	G	A	-0.2330
48	T	A	-0.1673
49	D	A	0.0000
50	D	A	-0.7021
51	H	A	-0.2384
52	V	A	0.0000
53	V	A	-0.7849
54	S	A	-0.7758
55	G	A	-0.2172
56	T	A	-0.0039
57	M	A	0.5531
58	V	A	1.5009
59	T	A	0.0000
60	P	A	0.2128
61	L	A	0.3980
62	P	A	0.0000
63	V	A	0.0000
64	I	A	0.0000
65	L	A	0.0000
66	G	A	0.0000
67	H	A	0.0000
68	E	A	0.0000
69	A	A	0.0000
70	A	A	0.0000
71	G	A	0.0000
72	I	A	-0.2937
73	V	A	0.0000
74	E	A	-0.7099
75	S	A	0.0000
76	V	A	-0.8562
77	G	A	-1.6140
78	E	A	-2.3815
79	G	A	-1.6168
80	V	A	-1.2216
81	T	A	-0.7572
82	T	A	-0.8526
83	V	A	0.0000
84	K	A	-2.0263
85	P	A	-1.1211
86	G	A	-1.1179
87	D	A	-1.5098
88	K	A	-1.2054
89	V	A	0.0000
90	I	A	0.0000
91	P	A	0.0000
92	L	A	0.0000
93	A	A	0.0000
94	I	A	0.0000
95	P	A	0.0000
96	Q	A	-1.0167
97	C	A	0.0000
98	G	A	-1.6792
99	K	A	-2.1619
100	C	A	-1.2812
101	R	A	-1.4840
102	I	A	0.0000
103	C	A	-1.6720
104	K	A	-2.7050
105	N	A	-1.9094
106	P	A	-1.7515
107	E	A	-2.3004
108	S	A	0.0000
109	N	A	0.0000
110	Y	A	0.0000
111	C	A	0.0000
112	L	A	0.7537
113	K	A	-0.5822
114	N	A	-0.5569
115	D	A	-0.9375
116	V	A	-0.2824
117	S	A	-0.8401
118	N	A	-1.5141
119	P	A	-1.0648
120	Q	A	-1.8212
121	G	A	0.0000
122	T	A	-1.1371
123	L	A	0.0000
124	Q	A	-1.8684
125	D	A	-2.3079
126	G	A	-1.7223
127	T	A	-1.1265
128	S	A	-0.7129
129	R	A	0.0000
130	F	A	0.0000
131	T	A	-2.1086
132	C	A	0.0000
133	R	A	-3.5716
134	R	A	-3.4669
135	K	A	-2.8961
136	P	A	-1.6883
137	I	A	0.0000
138	H	A	-0.5355
139	H	A	0.0000
140	F	A	0.0000
141	L	A	0.0000
142	G	A	-0.4765
143	I	A	0.0000
144	S	A	0.0000
145	T	A	0.0000
146	F	A	0.0000
147	S	A	0.0000
148	Q	A	-0.7037
149	Y	A	-0.6481
150	T	A	0.0000
151	V	A	0.0000
152	V	A	0.0000
153	D	A	0.0000
154	E	A	-0.6124
155	N	A	-0.6857
156	A	A	0.0000
157	V	A	0.0000
158	A	A	0.0000
159	K	A	-2.1993
160	I	A	0.0000
161	D	A	-1.6585
162	A	A	-0.8251
163	A	A	-0.3033
164	S	A	0.0000
165	P	A	-0.5842
166	L	A	0.0000
167	E	A	-0.7696
168	K	A	-1.1230
169	V	A	0.0000
170	C	A	0.0000
171	L	A	0.0000
172	I	A	0.0000
173	G	A	0.0000
174	C	A	0.0000
175	G	A	0.0000
176	F	A	0.0000
177	S	A	0.0000
178	T	A	0.1348
179	G	A	0.0000
180	Y	A	0.0909
181	G	A	0.0000
182	S	A	0.0000
183	A	A	0.0000
184	V	A	-0.6343
185	N	A	-0.9927
186	V	A	-0.7411
187	A	A	0.0000
188	K	A	-1.7165
189	V	A	0.0000
190	T	A	-0.7638
191	P	A	-1.0585
192	G	A	-0.7795
193	S	A	0.0000
194	T	A	-0.4809
195	C	A	0.0000
196	A	A	0.0000
197	V	A	0.0000
198	F	A	0.0000
199	G	A	0.0000
200	L	A	0.0000
201	G	A	-0.0148
202	G	A	0.0000
203	V	A	0.3231
204	G	A	0.0000
205	L	A	0.0000
206	S	A	0.0000
207	A	A	0.0000
208	I	A	0.0000
209	M	A	-0.4943
210	G	A	0.0000
211	C	A	0.0000
212	K	A	-1.7691
213	A	A	-0.9402
214	A	A	-0.9665
215	G	A	-1.1301
216	A	A	-1.1063
217	A	A	-0.8052
218	R	A	-1.0364
219	I	A	0.0000
220	I	A	0.0000
221	A	A	0.0000
222	V	A	0.0000
223	D	A	0.0439
224	I	A	0.5967
225	N	A	-1.0860
226	K	A	-2.1430
227	D	A	-2.8098
228	K	A	0.0000
229	F	A	-1.6740
230	A	A	-1.7886
231	K	A	-1.9091
232	A	A	0.0000
233	K	A	-2.7664
234	E	A	-2.7265
235	L	A	-1.6843
236	G	A	-1.8468
237	A	A	0.0000
238	T	A	-1.2978
239	E	A	-0.9761
240	C	A	-0.7133
241	I	A	0.0000
242	N	A	0.0000
243	P	A	-1.0110
244	Q	A	-1.8886
245	D	A	-2.3202
246	Y	A	-1.7873
247	K	A	-2.4476
248	K	A	-2.2103
249	P	A	-1.4015
250	I	A	-1.3597
251	Q	A	-1.1911
252	E	A	-2.1331
253	V	A	0.0000
254	L	A	0.0000
255	K	A	-2.1126
256	E	A	-2.7366
257	M	A	-1.3877
258	T	A	0.0000
259	D	A	-2.4396
260	G	A	-1.8794
261	G	A	0.0000
262	V	A	0.0000
263	D	A	-0.4836
264	F	A	0.0000
265	S	A	0.0000
266	F	A	0.0000
267	E	A	0.0000
268	V	A	0.3914
269	I	A	0.4594
270	G	A	0.0000
271	R	A	-1.9441
272	L	A	-1.6755
273	D	A	-2.1648
274	T	A	-1.0949
275	M	A	0.0000
276	M	A	-0.6181
277	A	A	0.0000
278	S	A	0.0000
279	L	A	0.0000
280	L	A	-0.0054
281	C	A	0.0000
282	C	A	0.0000
283	H	A	0.0000
284	E	A	-0.4251
285	A	A	0.0000
286	C	A	-0.6322
287	G	A	0.0000
288	T	A	-0.4165
289	S	A	0.0000
290	V	A	0.0000
291	I	A	0.0000
292	V	A	0.0000
293	G	A	0.0000
294	V	A	0.1098
295	P	A	0.0000
296	P	A	-1.0542
297	D	A	-1.1582
298	S	A	-1.2089
299	Q	A	-1.9921
300	N	A	-1.7948
301	L	A	0.0000
302	S	A	-1.2915
303	M	A	0.0000
304	N	A	-1.0102
305	P	A	0.0000
306	M	A	-0.1586
307	L	A	0.2105
308	L	A	0.0000
309	L	A	0.0000
310	T	A	-0.0102
311	G	A	-0.3455
312	R	A	0.0000
313	T	A	-0.2224
314	W	A	0.0000
315	K	A	-0.2513
316	G	A	0.0000
317	A	A	-0.0083
318	I	A	0.2444
319	L	A	0.0000
320	G	A	0.0000
321	G	A	-0.3365
322	F	A	-0.4294
323	K	A	-0.8276
324	S	A	0.0000
325	K	A	-1.4844
326	E	A	-1.9655
327	C	A	-1.2199
328	V	A	0.0000
329	P	A	-1.8591
330	K	A	-2.2432
331	L	A	0.0000
332	V	A	0.0000
333	A	A	-1.5033
334	D	A	-1.9549
335	F	A	-1.4093
336	M	A	-1.0631
337	A	A	-1.3365
338	K	A	-2.4880
339	K	A	-2.5586
340	F	A	-1.4430
341	S	A	-1.3140
342	L	A	0.0000
343	D	A	-1.5421
344	A	A	-1.0250
345	L	A	0.0000
346	I	A	-0.1130
347	T	A	-0.1396
348	H	A	0.5323
349	V	A	1.5898
350	L	A	0.2965
351	P	A	-0.3712
352	F	A	0.0000
353	E	A	-2.4389
354	K	A	-2.1980
355	I	A	0.0000
356	N	A	-2.4743
357	E	A	-3.0936
358	G	A	0.0000
359	F	A	0.0000
360	D	A	-2.9281
361	L	A	-1.8931
362	L	A	-1.4752
363	H	A	-1.9947
364	S	A	-1.5084
365	G	A	-1.9507
366	K	A	-2.4259
367	S	A	0.0000
368	I	A	0.0000
369	R	A	0.0000
370	T	A	0.0000
371	I	A	0.0000
372	L	A	0.0000
373	M	A	0.5607
374	F	A	0.5150
1	S	B	-0.5335
2	T	B	-0.8290
3	A	B	-0.7200
4	G	B	-1.3418
5	K	B	-1.8469
6	V	B	-0.8998
7	I	B	0.0000
8	K	B	-2.6427
9	C	B	0.0000
10	K	B	-2.1476
11	A	B	0.0000
12	A	B	0.0000
13	V	B	0.0000
14	L	B	0.0000
15	W	B	-0.7712
16	E	B	-2.0689
17	L	B	-1.1828
18	K	B	-2.5100
19	K	B	-2.5215
20	P	B	-1.8168
21	F	B	0.0000
22	S	B	-0.6439
23	I	B	-0.8535
24	E	B	-1.3498
25	E	B	-3.0258
26	V	B	0.0000
27	E	B	-2.2800
28	V	B	0.0000
29	A	B	-0.8251
30	P	B	-0.9431
31	P	B	-1.5052
32	K	B	-2.5187
33	A	B	-2.2157
34	H	B	-2.0813
35	E	B	0.0000
36	V	B	0.0000
37	R	B	0.0000
38	I	B	0.0000
39	K	B	-1.0811
40	M	B	0.0000
41	V	B	0.3974
42	A	B	0.0000
43	V	B	0.0000
44	G	B	0.0000
45	I	B	0.0000
46	C	B	0.0000
47	G	B	-0.2166
48	T	B	-0.1610
49	D	B	0.0000
50	D	B	-0.6537
51	H	B	-0.3475
52	V	B	0.0000
53	V	B	-0.7543
54	S	B	-0.7844
55	G	B	-0.3555
56	T	B	-0.1178
57	M	B	0.5003
58	V	B	1.4370
59	T	B	0.5266
60	P	B	0.2026
61	L	B	0.3733
62	P	B	0.0000
63	V	B	0.0000
64	I	B	0.0000
65	L	B	0.0000
66	G	B	0.0000
67	H	B	0.0000
68	E	B	0.0000
69	A	B	0.0000
70	A	B	0.0000
71	G	B	0.0000
72	I	B	-0.6155
73	V	B	0.0000
74	E	B	-0.9419
75	S	B	0.0000
76	V	B	-1.2543
77	G	B	-2.0132
78	E	B	-2.5948
79	G	B	-1.6774
80	V	B	0.0000
81	T	B	-0.8577
82	T	B	-0.9208
83	V	B	0.0000
84	K	B	-2.1697
85	P	B	-1.3013
86	G	B	-1.2383
87	D	B	-1.6123
88	K	B	-1.3493
89	V	B	0.0000
90	I	B	0.0000
91	P	B	0.0000
92	L	B	0.0000
93	A	B	0.0000
94	I	B	0.0000
95	P	B	0.0000
96	Q	B	-0.9869
97	C	B	-0.9506
98	G	B	-1.6149
99	K	B	-2.2126
100	C	B	0.0000
101	R	B	-1.4732
102	I	B	0.0000
103	C	B	-1.6510
104	K	B	-2.6585
105	N	B	-1.9819
106	P	B	-1.7161
107	E	B	-2.2744
108	S	B	0.0000
109	N	B	0.0000
110	Y	B	0.0000
111	C	B	0.0000
112	L	B	0.6522
113	K	B	-0.7793
114	N	B	-0.5915
115	D	B	-0.8993
116	V	B	-0.1951
117	S	B	-0.8582
118	N	B	-1.5110
119	P	B	-1.0193
120	Q	B	-1.7839
121	G	B	0.0000
122	T	B	-1.0458
123	L	B	0.0000
124	Q	B	-1.7972
125	D	B	-2.1022
126	G	B	-1.5645
127	T	B	-1.0260
128	S	B	-0.5537
129	R	B	0.0000
130	F	B	0.0000
131	T	B	-2.2376
132	C	B	0.0000
133	R	B	-3.5913
134	R	B	-3.4906
135	K	B	-2.8750
136	P	B	-1.7188
137	I	B	0.0000
138	H	B	-0.5517
139	H	B	0.0000
140	F	B	0.0000
141	L	B	-0.0777
142	G	B	-0.4427
143	I	B	0.0000
144	S	B	0.0000
145	T	B	0.0000
146	F	B	0.0000
147	S	B	0.0000
148	Q	B	-0.7223
149	Y	B	-0.8031
150	T	B	0.0000
151	V	B	0.0000
152	V	B	0.0000
153	D	B	-1.1696
154	E	B	-0.7742
155	N	B	-0.7981
156	A	B	0.0000
157	V	B	0.0000
158	A	B	0.0000
159	K	B	-2.2006
160	I	B	0.0000
161	D	B	-1.7362
162	A	B	-0.8774
163	A	B	-0.3166
164	S	B	0.0000
165	P	B	-0.6520
166	L	B	0.0000
167	E	B	-0.9242
168	K	B	-1.3560
169	V	B	0.0000
170	C	B	0.0000
171	L	B	0.0000
172	I	B	0.0000
173	G	B	0.0000
174	C	B	0.1423
175	G	B	0.0000
176	F	B	0.0000
177	S	B	0.0000
178	T	B	0.2107
179	G	B	0.0000
180	Y	B	0.1198
181	G	B	0.0000
182	S	B	0.0000
183	A	B	0.0000
184	V	B	-0.3904
185	N	B	-0.8793
186	V	B	0.0000
187	A	B	0.0000
188	K	B	-1.6348
189	V	B	0.0000
190	T	B	-0.8888
191	P	B	-1.0709
192	G	B	-0.9571
193	S	B	0.0000
194	T	B	-0.4433
195	C	B	0.0000
196	A	B	0.0000
197	V	B	0.0000
198	F	B	0.0000
199	G	B	0.0000
200	L	B	0.0000
201	G	B	-0.0288
202	G	B	0.0000
203	V	B	0.3351
204	G	B	0.0000
205	L	B	0.0000
206	S	B	0.0000
207	A	B	0.0000
208	I	B	0.0000
209	M	B	-0.4607
210	G	B	0.0000
211	C	B	0.0000
212	K	B	-1.7793
213	A	B	-0.8862
214	A	B	-0.9175
215	G	B	-1.1224
216	A	B	0.0000
217	A	B	-0.8205
218	R	B	-1.0223
219	I	B	0.0000
220	I	B	0.0000
221	A	B	0.0000
222	V	B	0.0000
223	D	B	0.0180
224	I	B	0.5572
225	N	B	-1.1346
226	K	B	-2.1943
227	D	B	-2.8632
228	K	B	-1.9707
229	F	B	-1.6469
230	A	B	-1.7474
231	K	B	-1.7765
232	A	B	0.0000
233	K	B	-2.6585
234	E	B	-2.6369
235	L	B	-1.5851
236	G	B	-1.7588
237	A	B	0.0000
238	T	B	-1.1689
239	E	B	-0.7567
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