Project name: asbt_del

Chain sequence(s)	A: MNDPNSCVDNATSGASPESNFNNWFSLWCSTYLTRLLALVMFSMGCNVEIKKFLGHIKRPWGICVGFLCQFGIMPLTGFALSVAFDILPLQAVVVLIIGCCPGGTASNILAYWVDGDMDLSVSMTTCSTLLALGMMPLCLLYYTKMWVDSGSIVIPYDNIGTSLISLYCPVSIGMFVNHKWPQKAKIILKIGSIAGAWLWILIAFVGGLLYQSAWCIAPKLWIIGTIFPVAGYSLGFLLARIAGLPWYRCRTVAFETGMQNTQLCSTIVQLSFTPEELNVVFTFPLIYSCGQWAFAALFLGFYVAYKKCHGKNKAEIPESKENGTEPESSFYKANGGFQPDEK
Selected Chain(s)	A
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 A 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                                          (00:06:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:49)

• Minimal score value: -3.8089
• Maximal score value: 3.1781
• Average score: 0.0188
• Total score value: 6.4567

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	-0.0055
2	N	A	-1.7973
3	D	A	-2.4415
4	P	A	-1.4803
5	N	A	-1.9170
6	S	A	-1.5239
7	C	A	-0.1261
8	V	A	0.4227
9	D	A	-1.8200
10	N	A	-1.8147
11	A	A	-1.0046
12	T	A	-1.0450
13	S	A	-1.0231
14	G	A	-1.1113
15	A	A	-0.6992
16	S	A	-0.9532
17	P	A	-1.5833
18	E	A	-2.4882
19	S	A	-1.4405
20	N	A	-1.1019
21	F	A	0.9255
22	N	A	-0.5699
23	N	A	-0.2417
24	W	A	1.7625
25	F	A	1.5680
26	S	A	1.2901
27	L	A	2.3714
28	W	A	1.9305
29	C	A	0.0000
30	S	A	0.9616
31	T	A	0.6676
32	Y	A	0.8610
33	L	A	0.5028
34	T	A	-0.2862
35	R	A	-1.2000
36	L	A	0.0603
37	L	A	0.0000
38	A	A	0.0658
39	L	A	0.5959
40	V	A	0.7825
41	M	A	0.0000
42	F	A	1.2188
43	S	A	0.0000
44	M	A	0.0000
45	G	A	0.0000
46	C	A	0.0000
47	N	A	-0.5950
48	V	A	0.0000
49	E	A	-0.7238
50	I	A	-0.3821
51	K	A	-1.6775
52	K	A	-1.1496
53	F	A	-0.0921
54	L	A	0.2451
55	G	A	-1.0002
56	H	A	-0.9118
57	I	A	0.1853
58	K	A	-1.7998
59	R	A	-1.9070
60	P	A	-0.4385
61	W	A	0.8034
62	G	A	0.0000
63	I	A	1.0256
64	C	A	1.4039
65	V	A	0.0000
66	G	A	0.0000
67	F	A	1.7461
68	L	A	1.6003
69	C	A	0.0000
70	Q	A	0.0000
71	F	A	0.0000
72	G	A	0.8522
73	I	A	0.0000
74	M	A	0.0000
75	P	A	0.0000
76	L	A	1.6031
77	T	A	1.1040
78	G	A	0.0000
79	F	A	1.2735
80	A	A	0.9802
81	L	A	0.8616
82	S	A	0.0000
83	V	A	0.9384
84	A	A	0.3912
85	F	A	0.1071
86	D	A	-0.9764
87	I	A	0.0000
88	L	A	1.0895
89	P	A	0.7948
90	L	A	0.0000
91	Q	A	0.2212
92	A	A	0.0000
93	V	A	0.0000
94	V	A	0.0000
95	V	A	0.0000
96	L	A	0.0000
97	I	A	0.0000
98	I	A	0.0000
99	G	A	0.0000
100	C	A	0.0000
101	C	A	0.0000
102	P	A	0.0000
103	G	A	0.0000
104	G	A	0.0000
105	T	A	0.1536
106	A	A	0.4445
107	S	A	0.0000
108	N	A	0.0000
109	I	A	1.9870
110	L	A	0.0000
111	A	A	0.0000
112	Y	A	1.5232
113	W	A	1.6933
114	V	A	0.0000
115	D	A	-0.3852
116	G	A	-0.1810
117	D	A	-0.6700
118	M	A	-0.2714
119	D	A	-1.3416
120	L	A	0.0000
121	S	A	0.0000
122	V	A	-0.1484
123	S	A	0.0000
124	M	A	0.0000
125	T	A	0.0000
126	T	A	0.0000
127	C	A	0.0000
128	S	A	0.0000
129	T	A	0.5387
130	L	A	0.8516
131	L	A	1.1218
132	A	A	0.0000
133	L	A	1.1784
134	G	A	0.4592
135	M	A	0.9210
136	M	A	0.0000
137	P	A	1.0634
138	L	A	2.0437
139	C	A	0.0000
140	L	A	0.0000
141	L	A	1.5863
142	Y	A	1.6866
143	Y	A	0.0000
144	T	A	0.0000
145	K	A	-0.7206
146	M	A	-0.1267
147	W	A	-0.0061
148	V	A	-0.1106
149	D	A	-1.6618
150	S	A	-1.0993
151	G	A	-0.6111
152	S	A	0.0990
153	I	A	0.8713
154	V	A	1.7752
155	I	A	0.0000
156	P	A	-0.2466
157	Y	A	-0.4917
158	D	A	-2.0709
159	N	A	-1.3002
160	I	A	0.0000
161	G	A	-0.4466
162	T	A	-0.0807
163	S	A	0.0000
164	L	A	0.0000
165	I	A	2.1267
166	S	A	1.0479
167	L	A	0.0000
168	Y	A	1.6648
169	C	A	1.6043
170	P	A	1.5837
171	V	A	0.0000
172	S	A	1.5648
173	I	A	2.4296
174	G	A	0.0000
175	M	A	0.9098
176	F	A	1.3903
177	V	A	0.0000
178	N	A	-0.9754
179	H	A	-1.3382
180	K	A	-1.8158
181	W	A	-1.2492
182	P	A	-1.7599
183	Q	A	-2.3366
184	K	A	-2.0950
185	A	A	0.0000
186	K	A	-2.0571
187	I	A	-0.4404
188	I	A	0.0446
189	L	A	-0.1190
190	K	A	-0.3627
191	I	A	1.4652
192	G	A	0.0000
193	S	A	1.0972
194	I	A	2.3336
195	A	A	1.8643
196	G	A	1.4021
197	A	A	1.7385
198	W	A	2.3987
199	L	A	0.0000
200	W	A	2.0733
201	I	A	3.1673
202	L	A	2.3904
203	I	A	0.0000
204	A	A	2.1719
205	F	A	3.1781
206	V	A	2.1019
207	G	A	0.0000
208	G	A	1.4389
209	L	A	1.9667
210	L	A	1.0821
211	Y	A	0.3484
212	Q	A	-0.2853
213	S	A	0.1819
214	A	A	0.0000
215	W	A	1.0914
216	C	A	1.2536
217	I	A	1.2271
218	A	A	0.4863
219	P	A	0.0649
220	K	A	-0.3445
221	L	A	0.0000
222	W	A	1.2305
223	I	A	1.4562
224	I	A	0.0000
225	G	A	0.0000
226	T	A	1.0158
227	I	A	1.1548
228	F	A	0.0000
229	P	A	0.0000
230	V	A	0.7221
231	A	A	0.4809
232	G	A	0.0000
233	Y	A	0.0000
234	S	A	0.7190
235	L	A	1.0618
236	G	A	0.0000
237	F	A	1.2608
238	L	A	1.7943
239	L	A	1.5025
240	A	A	0.0000
241	R	A	0.2766
242	I	A	1.7223
243	A	A	0.7792
244	G	A	-0.0436
245	L	A	0.0000
246	P	A	-0.0764
247	W	A	0.3717
248	Y	A	0.1667
249	R	A	-0.5005
250	C	A	0.0000
251	R	A	0.0477
252	T	A	0.0000
253	V	A	0.0000
254	A	A	0.0000
255	F	A	0.0000
256	E	A	0.0000
257	T	A	0.0000
258	G	A	0.0000
259	M	A	0.0000
260	Q	A	0.0000
261	N	A	-0.2076
262	T	A	0.0000
263	Q	A	-0.2177
264	L	A	0.0000
265	C	A	0.0000
266	S	A	0.0000
267	T	A	0.0000
268	I	A	0.0000
269	V	A	0.0000
270	Q	A	-0.1279
271	L	A	0.1779
272	S	A	0.0000
273	F	A	0.0000
274	T	A	-0.9178
275	P	A	-1.1566
276	E	A	-2.0883
277	E	A	-1.2750
278	L	A	0.0000
279	N	A	-0.3883
280	V	A	0.8625
281	V	A	0.0000
282	F	A	0.0000
283	T	A	0.0000
284	F	A	0.0000
285	P	A	0.0000
286	L	A	0.3282
287	I	A	0.0000
288	Y	A	0.0000
289	S	A	0.0000
290	C	A	1.0433
291	G	A	1.0577
292	Q	A	0.0000
293	W	A	1.2626
294	A	A	1.1187
295	F	A	1.3369
296	A	A	0.0000
297	A	A	1.2025
298	L	A	1.8276
299	F	A	1.9680
300	L	A	1.8380
301	G	A	1.6170
302	F	A	2.5756
303	Y	A	1.6152
304	V	A	1.2206
305	A	A	0.8058
306	Y	A	0.9086
307	K	A	-1.6205
308	K	A	-1.7844
309	C	A	-0.7055
310	H	A	-1.9727
311	G	A	-2.7694
312	K	A	-3.8089
313	N	A	-3.2988
314	K	A	-2.8801
315	A	A	-1.4942
316	E	A	-0.9393
317	I	A	0.4181
318	P	A	-0.8783
319	E	A	-2.5913
320	S	A	-2.4081
321	K	A	-3.6551
322	E	A	-3.7191
323	N	A	-2.8708
324	G	A	-2.1812
325	T	A	-1.9772
326	E	A	-2.5494
327	P	A	-2.1628
328	E	A	-2.2812
329	S	A	-0.7582
330	S	A	-0.3090
331	F	A	1.5756
332	Y	A	1.0547
333	K	A	-0.9725
334	A	A	-0.5791
335	N	A	-0.9880
336	G	A	-1.1485
337	G	A	-0.1641
338	F	A	0.7253
339	Q	A	-1.2226
340	P	A	-1.6923
341	D	A	-3.2756
342	E	A	-3.7418
343	K	A	-3.0707