Project name: asbt_del2

Chain sequence(s)	A: MNDPNSDNATSGASPESNFNNILSVVLSTVLTILLALVMFSMGCNVEIKKFLGHIKRPWGICVGFLCQFGIMPLTGFILSVAFDILPLQAVVVLIIGCCPGGTASNILAYWVDGDMDLSVSMTTCSTLLALGMMPLCLLIYTKMWVDSGSIVIPYDNIGTSLVSLVVPVSIGMFVNHKWPQKAKIILKIGSIAGAILIVLIAVVGGILYQSAWIIAPKLWIIGTIFPVAGYSLGFLLARIAGLPWYRCRTVAFETGMQNTQLCSTIVQLSFTPEELNVVFTFPLIYSIFQLAFAAIFLGFYVAYKKCHGKNKAEIPESKENGTEPESSFYKANGGFQPDEK
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:07)

• Minimal score value: -3.8418
• Maximal score value: 3.4381
• Average score: 0.1169
• Total score value: 39.8632

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	-0.0286
2	N	A	-1.8431
3	D	A	-2.6353
4	P	A	-2.2059
5	N	A	-2.7293
6	S	A	-2.3111
7	D	A	-2.8831
8	N	A	-2.3891
9	A	A	-1.3069
10	T	A	-0.9341
11	S	A	-0.6421
12	G	A	-0.6561
13	A	A	-0.7081
14	S	A	-0.9843
15	P	A	-1.5360
16	E	A	-2.4308
17	S	A	-1.3151
18	N	A	-0.8990
19	F	A	1.2414
20	N	A	-0.1319
21	N	A	0.4664
22	I	A	2.9216
23	L	A	2.4293
24	S	A	2.0412
25	V	A	3.4381
26	V	A	3.4224
27	L	A	2.5162
28	S	A	2.0359
29	T	A	2.1794
30	V	A	2.5869
31	L	A	2.0933
32	T	A	1.6697
33	I	A	2.6081
34	L	A	1.9385
35	L	A	0.0000
36	A	A	1.4900
37	L	A	1.3523
38	V	A	0.0000
39	M	A	0.0000
40	F	A	1.3646
41	S	A	0.0000
42	M	A	0.0000
43	G	A	0.0000
44	C	A	0.0000
45	N	A	-0.6933
46	V	A	0.0000
47	E	A	-0.8371
48	I	A	-0.4147
49	K	A	-1.6860
50	K	A	-1.1675
51	F	A	-0.0301
52	L	A	0.4724
53	G	A	-0.5214
54	H	A	0.0000
55	I	A	0.3127
56	K	A	-1.6844
57	R	A	-1.9130
58	P	A	-0.5930
59	W	A	0.4715
60	G	A	0.0000
61	I	A	0.8172
62	C	A	1.0744
63	V	A	0.0000
64	G	A	0.0000
65	F	A	1.4430
66	L	A	1.3506
67	C	A	0.0000
68	Q	A	0.0000
69	F	A	0.0000
70	G	A	0.6755
71	I	A	1.0299
72	M	A	0.0000
73	P	A	0.0000
74	L	A	1.6755
75	T	A	0.0000
76	G	A	0.0000
77	F	A	2.0354
78	I	A	2.6217
79	L	A	0.0000
80	S	A	0.0000
81	V	A	1.5708
82	A	A	0.9118
83	F	A	0.4265
84	D	A	-0.8044
85	I	A	0.0000
86	L	A	0.8405
87	P	A	0.6560
88	L	A	0.0000
89	Q	A	0.1320
90	A	A	0.0000
91	V	A	0.0000
92	V	A	0.0000
93	V	A	0.0000
94	L	A	0.0000
95	I	A	0.0000
96	I	A	0.0000
97	G	A	0.0000
98	C	A	0.0000
99	C	A	0.0000
100	P	A	0.0000
101	G	A	0.0000
102	G	A	0.0000
103	T	A	0.1851
104	A	A	0.5321
105	S	A	0.0000
106	N	A	0.9165
107	I	A	2.0707
108	L	A	0.0000
109	A	A	0.0000
110	Y	A	1.7033
111	W	A	2.0816
112	V	A	0.0000
113	D	A	0.4494
114	G	A	0.0000
115	D	A	-0.4418
116	M	A	-0.1481
117	D	A	-1.3875
118	L	A	0.0000
119	S	A	0.0000
120	V	A	-0.1567
121	S	A	0.0000
122	M	A	0.0000
123	T	A	0.0000
124	T	A	0.0000
125	C	A	0.0000
126	S	A	0.0000
127	T	A	0.0000
128	L	A	0.9529
129	L	A	1.2093
130	A	A	0.0000
131	L	A	1.3464
132	G	A	0.5887
133	M	A	0.7639
134	M	A	0.0000
135	P	A	0.7263
136	L	A	1.6127
137	C	A	0.0000
138	L	A	0.0000
139	L	A	1.8370
140	I	A	2.2947
141	Y	A	1.6801
142	T	A	0.0000
143	K	A	-0.7062
144	M	A	-0.1796
145	W	A	0.0000
146	V	A	-0.2164
147	D	A	-1.7756
148	S	A	-1.1819
149	G	A	-0.6610
150	S	A	0.0327
151	I	A	0.7667
152	V	A	1.7496
153	I	A	0.0000
154	P	A	-0.2503
155	Y	A	-0.4471
156	D	A	-2.0720
157	N	A	-1.2860
158	I	A	0.0000
159	G	A	-0.4629
160	T	A	-0.1511
161	S	A	0.0000
162	L	A	0.0000
163	V	A	2.1638
164	S	A	1.3072
165	L	A	0.0000
166	V	A	2.2474
167	V	A	2.6511
168	P	A	1.9620
169	V	A	0.0000
170	S	A	1.8563
171	I	A	2.3869
172	G	A	0.0000
173	M	A	0.9733
174	F	A	1.6530
175	V	A	0.0000
176	N	A	0.0000
177	H	A	-1.2091
178	K	A	-1.7165
179	W	A	-1.2536
180	P	A	-1.7528
181	Q	A	-2.3446
182	K	A	-2.1015
183	A	A	0.0000
184	K	A	-2.0741
185	I	A	-0.4396
186	I	A	0.0000
187	L	A	-0.3261
188	K	A	-0.7018
189	I	A	1.0221
190	G	A	0.0000
191	S	A	0.8054
192	I	A	1.8471
193	A	A	0.0000
194	G	A	0.0000
195	A	A	1.9429
196	I	A	3.0066
197	L	A	0.0000
198	I	A	2.1723
199	V	A	3.2352
200	L	A	2.5834
201	I	A	0.0000
202	A	A	2.1683
203	V	A	3.0716
204	V	A	0.0000
205	G	A	0.0000
206	G	A	1.6069
207	I	A	2.6142
208	L	A	1.6861
209	Y	A	0.4440
210	Q	A	0.0704
211	S	A	0.3826
212	A	A	0.0000
213	W	A	1.6521
214	I	A	2.2832
215	I	A	1.4955
216	A	A	0.7735
217	P	A	0.2952
218	K	A	-0.2266
219	L	A	0.0000
220	W	A	1.2226
221	I	A	1.7629
222	I	A	0.0000
223	G	A	0.0000
224	T	A	1.5311
225	I	A	1.5436
226	F	A	0.0000
227	P	A	0.0000
228	V	A	0.9967
229	A	A	0.6823
230	G	A	0.0000
231	Y	A	0.0000
232	S	A	0.8381
233	L	A	1.3145
234	G	A	0.0000
235	F	A	1.5118
236	L	A	2.1283
237	L	A	1.8315
238	A	A	0.0000
239	R	A	0.8106
240	I	A	1.9826
241	A	A	0.9203
242	G	A	0.1636
243	L	A	0.0000
244	P	A	0.1158
245	W	A	0.9052
246	Y	A	0.5387
247	R	A	-0.1386
248	C	A	0.0000
249	R	A	0.2878
250	T	A	0.0000
251	V	A	0.0000
252	A	A	0.0000
253	F	A	0.0000
254	E	A	0.0000
255	T	A	0.0000
256	G	A	0.0000
257	M	A	0.0000
258	Q	A	0.0000
259	N	A	0.0000
260	T	A	0.0000
261	Q	A	-0.0921
262	L	A	0.0000
263	C	A	0.0000
264	S	A	0.0000
265	T	A	0.0000
266	I	A	0.0000
267	V	A	0.0000
268	Q	A	-0.1371
269	L	A	0.3510
270	S	A	0.0000
271	F	A	0.0000
272	T	A	-0.9191
273	P	A	-1.1324
274	E	A	-2.1423
275	E	A	-1.3513
276	L	A	0.0000
277	N	A	-0.5097
278	V	A	0.6481
279	V	A	0.0000
280	F	A	0.0000
281	T	A	0.0000
282	F	A	0.0000
283	P	A	0.0000
284	L	A	0.0000
285	I	A	0.0000
286	Y	A	0.0000
287	S	A	1.3571
288	I	A	2.5747
289	F	A	2.0643
290	Q	A	0.0000
291	L	A	2.1633
292	A	A	1.8108
293	F	A	1.7340
294	A	A	0.0000
295	A	A	1.4643
296	I	A	2.1910
297	F	A	2.2016
298	L	A	2.0442
299	G	A	1.7776
300	F	A	2.6884
301	Y	A	1.8030
302	V	A	1.4363
303	A	A	0.8281
304	Y	A	0.8872
305	K	A	-1.2813
306	K	A	-2.0688
307	C	A	-1.4509
308	H	A	-2.6111
309	G	A	-3.2435
310	K	A	-3.8418
311	N	A	-3.5126
312	K	A	-3.0767
313	A	A	-2.4516
314	E	A	-2.4481
315	I	A	-0.3609
316	P	A	-1.1306
317	E	A	-2.5543
318	S	A	-2.3210
319	K	A	-3.6460
320	E	A	-3.7150
321	N	A	-3.0514
322	G	A	-2.1411
323	T	A	-1.9372
324	E	A	-2.7656
325	P	A	-2.2031
326	E	A	-2.4660
327	S	A	-1.1371
328	S	A	-0.5773
329	F	A	0.2397
330	Y	A	0.2983
331	K	A	-1.5808
332	A	A	-0.6686
333	N	A	-0.7730
334	G	A	-0.9594
335	G	A	-0.2833
336	F	A	0.7782
337	Q	A	-1.3260
338	P	A	-1.9222
339	D	A	-3.3251
340	E	A	-3.7706
341	K	A	-3.1281