Project name: asbt

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]                                                (00:00:00)
[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 A 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                                          (00:03:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:35)

• Minimal score value: -3.8578
• Maximal score value: 3.4641
• Average score: 0.1432
• Total score value: 49.8424

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	-0.0500
2	N	A	-1.9066
3	D	A	-2.7286
4	P	A	-1.9914
5	N	A	-1.9959
6	S	A	-1.1507
7	C	A	0.1258
8	V	A	0.5677
9	D	A	-1.4953
10	N	A	-1.2384
11	A	A	0.1937
12	T	A	0.6359
13	V	A	1.7566
14	C	A	1.2528
15	S	A	0.2669
16	G	A	-0.3093
17	A	A	0.0328
18	S	A	1.2103
19	C	A	1.9198
20	V	A	2.4478
21	V	A	2.1063
22	P	A	0.0794
23	E	A	-1.4743
24	S	A	-0.7109
25	N	A	-1.1735
26	F	A	0.8834
27	N	A	-0.4243
28	N	A	-0.0264
29	I	A	2.1832
30	L	A	1.8158
31	S	A	1.5570
32	V	A	2.9215
33	V	A	2.6716
34	L	A	2.0995
35	S	A	1.9019
36	T	A	1.9388
37	V	A	2.1909
38	L	A	0.0000
39	T	A	1.6065
40	I	A	2.6348
41	L	A	2.0677
42	L	A	0.0000
43	A	A	1.6164
44	L	A	1.7115
45	V	A	0.0000
46	M	A	0.0000
47	F	A	1.1246
48	S	A	0.0000
49	M	A	0.0000
50	G	A	0.0000
51	C	A	0.0000
52	N	A	-1.0796
53	V	A	0.0000
54	E	A	-1.4939
55	I	A	-1.0913
56	K	A	-2.2982
57	K	A	-2.4507
58	F	A	0.0000
59	L	A	-0.9033
60	G	A	-1.8678
61	H	A	-1.3102
62	I	A	-0.6336
63	K	A	-2.1771
64	R	A	-2.0512
65	P	A	-0.3322
66	W	A	0.7561
67	G	A	0.0000
68	I	A	0.8572
69	C	A	1.4865
70	V	A	0.0000
71	G	A	0.0000
72	F	A	1.8760
73	L	A	1.8305
74	C	A	0.0000
75	Q	A	0.0000
76	F	A	0.0000
77	G	A	0.8983
78	I	A	1.1056
79	M	A	0.0000
80	P	A	0.0000
81	L	A	1.6555
82	T	A	1.4614
83	G	A	0.0000
84	F	A	1.7997
85	I	A	2.3024
86	L	A	0.0000
87	S	A	0.0000
88	V	A	1.2848
89	A	A	0.6128
90	F	A	0.1895
91	D	A	-0.9710
92	I	A	0.0000
93	L	A	0.8148
94	P	A	0.4587
95	L	A	0.6914
96	Q	A	0.1707
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	0.1849
111	A	A	0.4915
112	S	A	0.0000
113	N	A	0.0000
114	I	A	1.6291
115	L	A	0.0000
116	A	A	0.0000
117	Y	A	0.9228
118	W	A	1.4753
119	V	A	0.0000
120	D	A	-0.0516
121	G	A	0.2429
122	D	A	-0.2601
123	M	A	0.1416
124	D	A	-1.0694
125	L	A	0.0000
126	S	A	0.0000
127	V	A	0.0000
128	S	A	0.0000
129	M	A	0.0000
130	T	A	0.0000
131	T	A	0.0000
132	C	A	0.7976
133	S	A	0.0000
134	T	A	0.0000
135	L	A	1.3113
136	L	A	1.2635
137	A	A	0.0000
138	L	A	1.1328
139	G	A	0.3954
140	M	A	0.8373
141	M	A	0.0000
142	P	A	0.8900
143	L	A	1.7079
144	C	A	0.0000
145	L	A	0.0000
146	L	A	2.2362
147	I	A	1.9964
148	Y	A	1.5470
149	T	A	0.0000
150	K	A	-0.7292
151	M	A	-0.0029
152	W	A	0.0000
153	V	A	-0.3192
154	D	A	-1.9019
155	S	A	-1.2925
156	G	A	-0.6887
157	S	A	-0.2364
158	I	A	0.6845
159	V	A	1.7118
160	I	A	0.0000
161	P	A	0.0314
162	Y	A	-0.1752
163	D	A	-1.8491
164	N	A	-1.0281
165	I	A	0.0000
166	G	A	-0.4294
167	T	A	-0.1781
168	S	A	0.0000
169	L	A	0.0000
170	V	A	1.5354
171	S	A	1.0926
172	L	A	0.0000
173	V	A	1.6002
174	V	A	1.7842
175	P	A	1.5332
176	V	A	0.0000
177	S	A	1.4818
178	I	A	2.0285
179	G	A	0.0000
180	M	A	0.8190
181	F	A	1.2574
182	V	A	0.0000
183	N	A	-1.0936
184	H	A	-1.4598
185	K	A	-1.8238
186	W	A	-1.2709
187	P	A	-1.6513
188	Q	A	-2.1002
189	K	A	-1.6744
190	A	A	0.0000
191	K	A	-1.6058
192	I	A	0.4449
193	I	A	0.4693
194	L	A	0.2069
195	K	A	0.0736
196	I	A	2.2625
197	G	A	0.0000
198	S	A	1.3916
199	I	A	2.7476
200	A	A	2.4063
201	G	A	1.9307
202	A	A	2.3434
203	I	A	3.4641
204	L	A	0.0000
205	I	A	2.4165
206	V	A	3.4027
207	L	A	2.5875
208	I	A	0.0000
209	A	A	2.3710
210	V	A	2.8790
211	V	A	2.0987
212	G	A	0.0000
213	G	A	1.3453
214	I	A	2.2724
215	L	A	0.9200
216	Y	A	0.0000
217	Q	A	-0.0088
218	S	A	0.1848
219	A	A	0.0000
220	W	A	1.4473
221	I	A	2.1636
222	I	A	1.3669
223	A	A	0.6889
224	P	A	0.1426
225	K	A	-0.4734
226	L	A	0.0000
227	W	A	0.9454
228	I	A	1.4191
229	I	A	0.0000
230	G	A	0.0000
231	T	A	1.3858
232	I	A	1.3573
233	F	A	0.0000
234	P	A	0.0000
235	V	A	0.9118
236	A	A	0.6705
237	G	A	0.0000
238	Y	A	0.0000
239	S	A	0.7148
240	L	A	0.9908
241	G	A	0.0000
242	F	A	1.1360
243	L	A	1.2741
244	L	A	1.2823
245	A	A	0.0000
246	R	A	-0.2459
247	I	A	1.4135
248	A	A	0.6830
249	G	A	-0.0463
250	L	A	0.1585
251	P	A	-0.0580
252	W	A	0.7451
253	Y	A	0.7226
254	R	A	-0.0974
255	C	A	0.0000
256	R	A	0.1673
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	-0.0050
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	0.0000
276	L	A	0.5065
277	S	A	-0.2327
278	F	A	0.0000
279	T	A	-0.9841
280	P	A	-1.4919
281	E	A	-2.1756
282	E	A	-1.4020
283	L	A	0.0000
284	N	A	-0.7157
285	V	A	0.4133
286	V	A	0.0000
287	F	A	0.0000
288	T	A	0.0000
289	F	A	0.0000
290	P	A	0.0000
291	L	A	0.0000
292	I	A	0.0000
293	Y	A	0.0000
294	S	A	1.1478
295	I	A	2.0710
296	F	A	1.7728
297	Q	A	0.0000
298	L	A	1.8229
299	A	A	1.5944
300	F	A	1.5817
301	A	A	0.0000
302	A	A	1.3908
303	I	A	2.0936
304	F	A	2.0719
305	L	A	1.9608
306	G	A	1.6920
307	F	A	2.5576
308	Y	A	0.0000
309	V	A	1.2076
310	A	A	0.6569
311	Y	A	0.4018
312	K	A	-1.5593
313	K	A	-2.2131
314	C	A	-1.7688
315	H	A	-2.7358
316	G	A	-3.1892
317	K	A	-3.7480
318	N	A	-3.6867
319	K	A	-3.0721
320	A	A	-2.3944
321	E	A	-2.4315
322	I	A	-0.3348
323	P	A	-1.1197
324	E	A	-2.4619
325	S	A	-2.1300
326	K	A	-3.5172
327	E	A	-3.6674
328	N	A	-2.7843
329	G	A	-1.8960
330	T	A	-1.4983
331	E	A	-2.5526
332	P	A	-2.1792
333	E	A	-2.3003
334	S	A	-0.7460
335	S	A	0.3945
336	F	A	1.7141
337	Y	A	1.2360
338	K	A	-0.8252
339	A	A	-0.7651
340	N	A	-0.9937
341	G	A	-1.0356
342	G	A	-0.0543
343	F	A	0.6312
344	Q	A	-1.4470
345	P	A	-1.8281
346	D	A	-3.4538
347	E	A	-3.8578
348	K	A	-3.2078