Project name: asbt_wt

Chain sequence(s)	A: MNDPNSCVDNATVCSGASCVVPESNFNNILSVVLSTVLTILLALVMFSMGCNVEIKKFLGHIKRPWGICVGFLCQFGIMPLTGFILSVAFDILPLQAVVVLIIGCCPGGTASNILAYWVDGDMDLSVSMTTCSTLLALGMMPLCLLIYTKMWVDSGSIVIPYDNIGTSLVSLVVPVSIGMFVNHKWPQKAKIILKIGSIAGAILIVLIAVVGGILYQSAWIIAPKLWIIGTIFPVAGYSLGFLLARIAGLPWYRCRTVAFETGMQNTQLCSTIVQLSFTPEELNVVFTFPLIYSIFQLAFAAIFLGFYVAYKKCHGKNKAEIPESKENGTEPESSFYKANGGFQPDEK
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                                          (00:03:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:05)

• Minimal score value: -3.7992
• Maximal score value: 3.2133
• Average score: 0.23
• Total score value: 80.0423

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	-0.0427
2	N	A	-1.8648
3	D	A	-2.6005
4	P	A	-1.9568
5	N	A	-2.0441
6	S	A	-1.2079
7	C	A	0.4762
8	V	A	1.0257
9	D	A	-1.3006
10	N	A	-0.6499
11	A	A	1.3895
12	T	A	1.3931
13	V	A	2.7341
14	C	A	2.0255
15	S	A	0.4092
16	G	A	-0.5482
17	A	A	-0.5021
18	S	A	0.6972
19	C	A	2.1314
20	V	A	3.1569
21	V	A	2.2371
22	P	A	-0.0155
23	E	A	-1.7030
24	S	A	-0.9980
25	N	A	-0.9410
26	F	A	1.0871
27	N	A	0.1105
28	N	A	-0.0145
29	I	A	2.5652
30	L	A	2.2470
31	S	A	1.9441
32	V	A	2.9307
33	V	A	3.2020
34	L	A	2.2515
35	S	A	1.7887
36	T	A	2.0039
37	V	A	2.3192
38	L	A	1.7502
39	T	A	1.6761
40	I	A	2.5699
41	L	A	1.9546
42	L	A	1.2824
43	A	A	1.4792
44	L	A	1.4640
45	V	A	0.0000
46	M	A	0.0000
47	F	A	1.2607
48	S	A	0.0000
49	M	A	0.0000
50	G	A	0.0000
51	C	A	0.0000
52	N	A	-0.5091
53	V	A	0.0000
54	E	A	-0.7988
55	I	A	0.0276
56	K	A	-1.5383
57	K	A	-1.0426
58	F	A	-0.1096
59	L	A	0.0601
60	G	A	-1.0675
61	H	A	-1.0350
62	I	A	0.0609
63	K	A	-1.8809
64	R	A	-2.0038
65	P	A	-0.5589
66	W	A	0.6232
67	G	A	0.0000
68	I	A	0.8773
69	C	A	1.1708
70	V	A	0.0000
71	G	A	0.0000
72	F	A	1.4479
73	L	A	1.3876
74	C	A	0.0000
75	Q	A	0.0000
76	F	A	0.0000
77	G	A	0.6714
78	I	A	1.0084
79	M	A	0.0000
80	P	A	0.0000
81	L	A	1.6804
82	T	A	1.5196
83	G	A	0.0000
84	F	A	1.9041
85	I	A	2.4444
86	L	A	0.0000
87	S	A	0.0000
88	V	A	1.3949
89	A	A	0.8021
90	F	A	0.3757
91	D	A	-0.8371
92	I	A	0.0000
93	L	A	1.0333
94	P	A	0.7613
95	L	A	0.0000
96	Q	A	0.2192
97	A	A	0.0000
98	V	A	0.0000
99	V	A	0.0000
100	V	A	0.0000
101	L	A	0.0000
102	I	A	0.0000
103	I	A	0.0000
104	G	A	0.0000
105	C	A	0.0000
106	C	A	0.0000
107	P	A	0.0000
108	G	A	0.0000
109	G	A	0.0000
110	T	A	0.2375
111	A	A	0.6109
112	S	A	0.0000
113	N	A	0.0000
114	I	A	2.1241
115	L	A	0.0000
116	A	A	0.0000
117	Y	A	1.8905
118	W	A	1.8998
119	V	A	0.0000
120	D	A	-0.3070
121	G	A	0.0197
122	D	A	-0.3614
123	M	A	0.1011
124	D	A	-1.0541
125	L	A	0.0000
126	S	A	0.0000
127	V	A	-0.1294
128	S	A	0.0000
129	M	A	0.0000
130	T	A	0.0000
131	T	A	0.0000
132	C	A	0.8796
133	S	A	0.0000
134	T	A	0.0000
135	L	A	1.2719
136	L	A	1.2720
137	A	A	0.0000
138	L	A	1.3556
139	G	A	0.4214
140	M	A	0.7862
141	M	A	0.0000
142	P	A	0.7431
143	L	A	1.6683
144	C	A	0.0000
145	L	A	0.0000
146	L	A	1.8521
147	I	A	2.3167
148	Y	A	1.7213
149	T	A	0.0000
150	K	A	-0.5788
151	M	A	-0.0530
152	W	A	-0.0260
153	V	A	-0.0972
154	D	A	-1.6915
155	S	A	-1.1083
156	G	A	-0.6055
157	S	A	0.1078
158	I	A	0.8500
159	V	A	1.7837
160	I	A	0.0000
161	P	A	-0.2497
162	Y	A	-0.4547
163	D	A	-2.0746
164	N	A	-1.2285
165	I	A	0.0000
166	G	A	-0.4713
167	T	A	-0.1379
168	S	A	0.0000
169	L	A	0.0000
170	V	A	2.2498
171	S	A	1.3745
172	L	A	0.0000
173	V	A	2.4112
174	V	A	2.7125
175	P	A	1.9662
176	V	A	0.0000
177	S	A	1.8117
178	I	A	2.2526
179	G	A	0.0000
180	M	A	0.8704
181	F	A	1.3901
182	V	A	0.0000
183	N	A	0.0000
184	H	A	-1.1958
185	K	A	-1.8059
186	W	A	-1.3197
187	P	A	-1.6104
188	Q	A	-2.2015
189	K	A	-1.9505
190	A	A	0.0000
191	K	A	-1.7550
192	I	A	0.1696
193	I	A	0.3008
194	L	A	-0.0249
195	K	A	-0.3259
196	I	A	1.5055
197	G	A	0.0000
198	S	A	1.0374
199	I	A	2.1361
200	A	A	0.0000
201	G	A	0.0000
202	A	A	1.9743
203	I	A	2.9614
204	L	A	0.0000
205	I	A	2.1554
206	V	A	3.2133
207	L	A	2.5379
208	I	A	0.0000
209	A	A	2.1709
210	V	A	2.9817
211	V	A	0.0000
212	G	A	0.0000
213	G	A	1.5901
214	I	A	2.3968
215	L	A	1.4689
216	Y	A	0.5523
217	Q	A	0.1178
218	S	A	0.5576
219	A	A	0.0000
220	W	A	2.1551
221	I	A	2.5733
222	I	A	1.6900
223	A	A	0.8671
224	P	A	0.2825
225	K	A	-0.2726
226	L	A	0.0000
227	W	A	1.2089
228	I	A	1.7895
229	I	A	0.0000
230	G	A	0.0000
231	T	A	1.5784
232	I	A	1.6332
233	F	A	0.0000
234	P	A	0.0000
235	V	A	0.9604
236	A	A	0.7005
237	G	A	0.0000
238	Y	A	0.0000
239	S	A	0.8505
240	L	A	1.3306
241	G	A	0.0000
242	F	A	1.4722
243	L	A	2.1609
244	L	A	1.8605
245	A	A	0.0000
246	R	A	0.7945
247	I	A	1.9944
248	A	A	0.9628
249	G	A	0.2578
250	L	A	0.0000
251	P	A	-0.1646
252	W	A	0.5390
253	Y	A	0.0000
254	R	A	-0.6066
255	C	A	0.0000
256	R	A	-0.0002
257	T	A	0.0000
258	V	A	0.0000
259	A	A	0.0000
260	F	A	0.0000
261	E	A	0.0000
262	T	A	0.0000
263	G	A	0.0000
264	M	A	0.0000
265	Q	A	0.0000
266	N	A	0.0000
267	T	A	0.0000
268	Q	A	-0.0568
269	L	A	0.0000
270	C	A	0.0000
271	S	A	0.0000
272	T	A	0.0000
273	I	A	0.0000
274	V	A	0.0000
275	Q	A	0.0879
276	L	A	0.7324
277	S	A	0.0000
278	F	A	0.0000
279	T	A	-0.8918
280	P	A	-1.1402
281	E	A	-2.1587
282	E	A	-1.4038
283	L	A	0.0000
284	N	A	-0.4214
285	V	A	0.8907
286	V	A	0.0000
287	F	A	0.0000
288	T	A	0.7228
289	F	A	0.0000
290	P	A	0.0000
291	L	A	0.9785
292	I	A	0.0000
293	Y	A	0.0000
294	S	A	0.0000
295	I	A	2.7665
296	F	A	2.2466
297	Q	A	0.0000
298	L	A	2.6028
299	A	A	1.9864
300	F	A	1.8911
301	A	A	0.0000
302	A	A	1.6037
303	I	A	2.2552
304	F	A	2.1766
305	L	A	1.9678
306	G	A	1.6842
307	F	A	2.6347
308	Y	A	1.5599
309	V	A	1.1745
310	A	A	0.7626
311	Y	A	0.9020
312	K	A	-1.6417
313	K	A	-1.8086
314	C	A	-0.7181
315	H	A	-1.9346
316	G	A	-2.7535
317	K	A	-3.7992
318	N	A	-3.3031
319	K	A	-2.7324
320	A	A	-1.3494
321	E	A	-1.1074
322	I	A	-0.1740
323	P	A	-1.1036
324	E	A	-2.4739
325	S	A	-2.5849
326	K	A	-3.7199
327	E	A	-3.7735
328	N	A	-3.1985
329	G	A	-2.5786
330	T	A	-2.1285
331	E	A	-2.7866
332	P	A	-2.1699
333	E	A	-2.3245
334	S	A	-0.8115
335	S	A	0.0773
336	F	A	1.7383
337	Y	A	1.1478
338	K	A	-0.9178
339	A	A	-0.7988
340	N	A	-1.5521
341	G	A	-1.2779
342	G	A	-0.3080
343	F	A	0.6187
344	Q	A	-1.2062
345	P	A	-1.8725
346	D	A	-3.2605
347	E	A	-3.7308
348	K	A	-3.0351