Project name: da05921806a4b01

Chain sequence(s)	A: MEKIRSKVIIKNELLKAALGEFLGTAILVLAINSVVAQSVLHVAPNKLININIGVGLGIAFGIAVTARISGGHINPAVSLMFLTFRQITALRFAVYFVAQLLGAFVDALITYIVYCDAIRTFDGGERAIFGSKATAHIFASYPATHLGIFNGLLDQIVATAVFCLLIAHTVDKRNHYPSWVQPFIIGTAFVLVGTAFALNAGYSCNPARDLGPRIFTLLAGYGWKVFSYNDYGWFWIPIVGPFIGALIGGWIYEIVVGFQTPDSVEYQVVSNGQELNIIPALKTTKGDSSRSGPKLVWRIHH
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                                          (00:05:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:08)

• Minimal score value: -2.8612
• Maximal score value: 3.3462
• Average score: 0.1285
• Total score value: 38.8015

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	-0.2019
2	E	A	-2.2710
3	K	A	-2.0934
4	I	A	0.0379
5	R	A	-1.4541
6	S	A	-1.2707
7	K	A	-1.1305
8	V	A	0.8549
9	I	A	0.7805
10	I	A	-0.1471
11	K	A	-1.6876
12	N	A	-1.8888
13	E	A	-2.0232
14	L	A	-0.2619
15	L	A	0.2026
16	K	A	-0.2039
17	A	A	0.0000
18	A	A	1.2257
19	L	A	1.5347
20	G	A	0.0000
21	E	A	0.0000
22	F	A	2.1609
23	L	A	1.7688
24	G	A	0.0000
25	T	A	0.0000
26	A	A	1.4757
27	I	A	1.5659
28	L	A	0.0000
29	V	A	0.0000
30	L	A	1.2499
31	A	A	1.0200
32	I	A	0.0000
33	N	A	0.0000
34	S	A	0.5924
35	V	A	0.1668
36	V	A	-0.0268
37	A	A	0.0000
38	Q	A	-0.6312
39	S	A	-0.3086
40	V	A	-0.0038
41	L	A	-0.1648
42	H	A	0.0346
43	V	A	1.1064
44	A	A	-0.0514
45	P	A	-0.5874
46	N	A	-1.0268
47	K	A	-0.6006
48	L	A	0.9660
49	I	A	1.1142
50	N	A	-0.3215
51	I	A	0.5750
52	N	A	0.0000
53	I	A	1.7924
54	G	A	0.9968
55	V	A	0.0000
56	G	A	0.0000
57	L	A	1.7779
58	G	A	0.0000
59	I	A	0.0000
60	A	A	0.0000
61	F	A	2.3763
62	G	A	0.0000
63	I	A	0.0000
64	A	A	0.9963
65	V	A	1.0152
66	T	A	0.0000
67	A	A	-0.2971
68	R	A	-1.2463
69	I	A	-0.1002
70	S	A	0.0000
71	G	A	-0.5882
72	G	A	0.0000
73	H	A	0.0000
74	I	A	0.0000
75	N	A	0.0000
76	P	A	0.0000
77	A	A	0.0000
78	V	A	0.0000
79	S	A	0.0000
80	L	A	0.5245
81	M	A	0.0000
82	F	A	-0.2288
83	L	A	-0.2392
84	T	A	-0.3267
85	F	A	-0.6739
86	R	A	-2.0578
87	Q	A	-1.7488
88	I	A	-0.5636
89	T	A	0.0262
90	A	A	0.7129
91	L	A	1.7158
92	R	A	0.9830
93	F	A	1.3025
94	A	A	1.4463
95	V	A	1.8604
96	Y	A	0.0000
97	F	A	2.0638
98	V	A	2.6961
99	A	A	0.0000
100	Q	A	0.0000
101	L	A	2.0725
102	L	A	2.4738
103	G	A	0.0000
104	A	A	0.0000
105	F	A	1.8154
106	V	A	2.0043
107	D	A	0.0000
108	A	A	0.0000
109	L	A	2.5847
110	I	A	2.8855
111	T	A	0.0000
112	Y	A	2.3341
113	I	A	3.3462
114	V	A	3.0188
115	Y	A	1.1671
116	C	A	0.4727
117	D	A	-1.6612
118	A	A	-1.1208
119	I	A	0.0000
120	R	A	-2.8612
121	T	A	-1.3994
122	F	A	-1.2561
123	D	A	0.0000
124	G	A	-2.1389
125	G	A	-2.4540
126	E	A	-2.7091
127	R	A	-1.5740
128	A	A	-0.8600
129	I	A	0.1922
130	F	A	1.3125
131	G	A	0.0159
132	S	A	-0.5728
133	K	A	-1.4301
134	A	A	0.0000
135	T	A	0.0000
136	A	A	0.0000
137	H	A	-0.0297
138	I	A	0.0000
139	F	A	0.0000
140	A	A	0.0000
141	S	A	0.0000
142	Y	A	0.1977
143	P	A	0.0000
144	A	A	-0.1603
145	T	A	-0.6180
146	H	A	-1.2866
147	L	A	0.0000
148	G	A	-0.2087
149	I	A	1.1428
150	F	A	1.8717
151	N	A	0.0369
152	G	A	0.0000
153	L	A	1.5075
154	L	A	1.4518
155	D	A	0.0000
156	Q	A	0.0000
157	I	A	1.4594
158	V	A	1.5502
159	A	A	0.0000
160	T	A	0.0000
161	A	A	1.4926
162	V	A	1.4113
163	F	A	0.0000
164	C	A	0.0000
165	L	A	1.2371
166	L	A	0.7194
167	I	A	0.0000
168	A	A	0.0000
169	H	A	-0.2005
170	T	A	0.0000
171	V	A	-0.3901
172	D	A	-1.2752
173	K	A	-2.5634
174	R	A	-2.0771
175	N	A	-1.7069
176	H	A	-1.9732
177	Y	A	-0.4547
178	P	A	-0.1527
179	S	A	0.0001
180	W	A	1.2656
181	V	A	1.2900
182	Q	A	0.9728
183	P	A	0.0000
184	F	A	1.9705
185	I	A	1.3378
186	I	A	0.0000
187	G	A	0.0000
188	T	A	1.1344
189	A	A	1.0284
190	F	A	0.0000
191	V	A	1.6341
192	L	A	1.7139
193	V	A	0.0000
194	G	A	0.0000
195	T	A	1.3910
196	A	A	0.8025
197	F	A	1.0046
198	A	A	1.0722
199	L	A	1.5782
200	N	A	0.1502
201	A	A	0.0000
202	G	A	0.2841
203	Y	A	0.0000
204	S	A	0.0000
205	C	A	0.0000
206	N	A	0.0000
207	P	A	0.0000
208	A	A	0.0000
209	R	A	0.0000
210	D	A	0.0000
211	L	A	0.8288
212	G	A	0.0000
213	P	A	0.0000
214	R	A	0.0000
215	I	A	1.3854
216	F	A	0.0000
217	T	A	0.0000
218	L	A	1.1958
219	L	A	1.8972
220	A	A	0.7918
221	G	A	-0.1414
222	Y	A	0.0000
223	G	A	0.1695
224	W	A	0.5255
225	K	A	-1.0625
226	V	A	0.0000
227	F	A	0.0793
228	S	A	-0.7662
229	Y	A	-0.7183
230	N	A	-1.8889
231	D	A	-2.1329
232	Y	A	-0.4831
233	G	A	-0.1064
234	W	A	0.0000
235	F	A	0.5684
236	W	A	1.1053
237	I	A	0.0000
238	P	A	0.0000
239	I	A	1.1015
240	V	A	1.3548
241	G	A	0.0000
242	P	A	0.0000
243	F	A	1.3012
244	I	A	1.8080
245	G	A	0.0000
246	A	A	0.0000
247	L	A	1.5736
248	I	A	2.0322
249	G	A	0.0000
250	G	A	0.0000
251	W	A	2.0144
252	I	A	2.6374
253	Y	A	0.0000
254	E	A	2.0118
255	I	A	3.1464
256	V	A	3.2834
257	V	A	2.3818
258	G	A	0.0000
259	F	A	2.1035
260	Q	A	0.3924
261	T	A	-0.1508
262	P	A	-0.9086
263	D	A	-2.0121
264	S	A	-1.2323
265	V	A	0.5050
266	E	A	-1.2880
267	Y	A	0.6543
268	Q	A	1.1296
269	V	A	1.3628
270	V	A	0.8629
271	S	A	-0.5716
272	N	A	-2.2227
273	G	A	-1.8482
274	Q	A	-2.4127
275	E	A	-2.0185
276	L	A	0.4415
277	N	A	0.7848
278	I	A	2.4631
279	I	A	1.9740
280	P	A	0.8532
281	A	A	0.3783
282	L	A	0.7397
283	K	A	-1.2837
284	T	A	-1.3084
285	T	A	-1.6188
286	K	A	-2.6415
287	G	A	-2.2802
288	D	A	-2.8592
289	S	A	-1.9591
290	S	A	-1.8114
291	R	A	-2.4480
292	S	A	-1.8066
293	G	A	-1.3667
294	P	A	-0.8372
295	K	A	-1.0148
296	L	A	0.9677
297	V	A	0.9580
298	W	A	0.4361
299	R	A	-1.3576
300	I	A	-0.7594
301	H	A	-1.8639
302	H	A	-1.7787