Project name: ce7828bde1ab4cf

Chain sequence(s)	A: MEENLKGLYAALLVPFDENGQVKEEGLKAIAKNAIENEELDGLYVNGSSGENFLINTEQKKQIFKIAKEAVGDDVKMIAQIGSLDLNEAIELGKYATELGYDALSAVTPFYYPLSFEEIKQYYFDLIEATQNKMIIYSIPDLTGVNIDVDQFGELFNHEKIIGVKYTAPNFFLLERLRKAYPDKLIFSGFDEMLIQAVISGVDGAIGSTYNVNGKRSRQIFELAQQGKVDEAYQVQHETNDIIAKILELGLYPTLKEILKYRGIDSGLPKRPFAPFNEENRAALDELVNKYNL
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                                          (00:06:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:22)

• Minimal score value: -3.4854
• Maximal score value: 2.3321
• Average score: -0.8681
• Total score value: -254.3427

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	-1.2227
2	E	A	-1.9343
3	E	A	-2.8925
4	N	A	-2.5867
5	L	A	0.0000
6	K	A	-1.7519
7	G	A	-0.9779
8	L	A	0.0000
9	Y	A	0.0000
10	A	A	0.0000
11	A	A	0.0000
12	L	A	0.0000
13	L	A	0.0000
14	V	A	0.0000
15	P	A	0.0000
16	F	A	0.0000
17	D	A	-2.1204
18	E	A	-3.1054
19	N	A	-2.9183
20	G	A	-2.3840
21	Q	A	-2.2640
22	V	A	-1.7040
23	K	A	-2.0325
24	E	A	-2.6131
25	E	A	-2.8998
26	G	A	0.0000
27	L	A	0.0000
28	K	A	-2.3139
29	A	A	-1.5159
30	I	A	0.0000
31	A	A	0.0000
32	K	A	-1.7845
33	N	A	0.0000
34	A	A	0.0000
35	I	A	-1.8261
36	E	A	-2.9669
37	N	A	-2.7405
38	E	A	0.0000
39	E	A	-3.2337
40	L	A	0.0000
41	D	A	-1.5708
42	G	A	0.0000
43	L	A	0.0000
44	Y	A	0.0000
45	V	A	0.0000
46	N	A	0.0000
47	G	A	0.0000
48	S	A	0.3614
49	S	A	0.0000
50	G	A	0.0000
51	E	A	0.0000
52	N	A	0.0000
53	F	A	0.9037
54	L	A	0.2990
55	I	A	0.0000
56	N	A	-1.7813
57	T	A	-1.9660
58	E	A	-2.5572
59	Q	A	-1.9534
60	K	A	0.0000
61	K	A	-1.7584
62	Q	A	-1.6720
63	I	A	0.0000
64	F	A	0.0000
65	K	A	-1.4816
66	I	A	0.0000
67	A	A	0.0000
68	K	A	-1.7282
69	E	A	-2.4229
70	A	A	-1.9427
71	V	A	-1.7050
72	G	A	-2.1502
73	D	A	-3.1820
74	D	A	-2.7962
75	V	A	0.0000
76	K	A	-1.6405
77	M	A	0.0000
78	I	A	0.0000
79	A	A	0.0000
80	Q	A	0.0000
81	I	A	0.0000
82	G	A	0.0000
83	S	A	-0.0719
84	L	A	0.4488
85	D	A	-1.4743
86	L	A	-0.9622
87	N	A	-1.8376
88	E	A	-1.6764
89	A	A	0.0000
90	I	A	-1.3801
91	E	A	-1.9333
92	L	A	0.0000
93	G	A	0.0000
94	K	A	-1.8117
95	Y	A	-1.2843
96	A	A	0.0000
97	T	A	-1.7311
98	E	A	-1.9752
99	L	A	-1.3781
100	G	A	-1.5110
101	Y	A	0.0000
102	D	A	-1.3796
103	A	A	0.0000
104	L	A	0.0000
105	S	A	0.0000
106	A	A	0.0000
107	V	A	0.0000
108	T	A	0.0000
109	P	A	0.0000
110	F	A	1.7153
111	Y	A	2.3321
112	Y	A	2.1296
113	P	A	0.7718
114	L	A	0.2660
115	S	A	-0.9540
116	F	A	-1.6944
117	E	A	-3.1270
118	E	A	-2.9799
119	I	A	0.0000
120	K	A	-2.3465
121	Q	A	-2.3733
122	Y	A	0.0000
123	Y	A	0.0000
124	F	A	-1.3289
125	D	A	-1.5151
126	L	A	0.0000
127	I	A	0.0000
128	E	A	-2.3233
129	A	A	-1.6956
130	T	A	0.0000
131	Q	A	-2.2250
132	N	A	-1.7129
133	K	A	-1.7158
134	M	A	0.0000
135	I	A	0.0000
136	I	A	0.0000
137	Y	A	0.0000
138	S	A	0.0000
139	I	A	-0.2204
140	P	A	-0.8393
141	D	A	-1.3552
142	L	A	0.6990
143	T	A	0.4022
144	G	A	-0.3658
145	V	A	-0.3848
146	N	A	-1.7913
147	I	A	0.0000
148	D	A	-2.3887
149	V	A	0.0000
150	D	A	-2.8753
151	Q	A	-2.6417
152	F	A	0.0000
153	G	A	-2.1454
154	E	A	-2.9173
155	L	A	0.0000
156	F	A	0.0000
157	N	A	-2.4975
158	H	A	-2.0631
159	E	A	-2.6056
160	K	A	-2.2616
161	I	A	0.0000
162	I	A	0.0000
163	G	A	0.0000
164	V	A	0.0000
165	K	A	0.0000
166	Y	A	0.0000
167	T	A	0.0000
168	A	A	-0.5397
169	P	A	-0.3213
170	N	A	0.0103
171	F	A	0.6182
172	F	A	1.2442
173	L	A	0.0000
174	L	A	0.0000
175	E	A	-1.3728
176	R	A	-2.1796
177	L	A	0.0000
178	R	A	-1.9798
179	K	A	-2.7686
180	A	A	-1.8132
181	Y	A	-1.4297
182	P	A	-1.5901
183	D	A	-2.2461
184	K	A	-1.4429
185	L	A	0.0000
186	I	A	0.0000
187	F	A	0.0000
188	S	A	0.0000
189	G	A	0.0009
190	F	A	0.0213
191	D	A	0.0000
192	E	A	-0.9293
193	M	A	-0.2075
194	L	A	0.0000
195	I	A	0.0000
196	Q	A	0.5520
197	A	A	0.0000
198	V	A	0.0000
199	I	A	1.4046
200	S	A	0.3460
201	G	A	-0.3101
202	V	A	0.0000
203	D	A	0.0000
204	G	A	0.0000
205	A	A	0.0000
206	I	A	0.0000
207	G	A	0.0000
208	S	A	0.0747
209	T	A	0.0000
210	Y	A	0.0000
211	N	A	0.0000
212	V	A	0.0000
213	N	A	0.0000
214	G	A	0.0000
215	K	A	-2.7454
216	R	A	-1.7751
217	S	A	0.0000
218	R	A	-2.1370
219	Q	A	-2.3224
220	I	A	0.0000
221	F	A	-1.3703
222	E	A	-2.8734
223	L	A	-2.4533
224	A	A	0.0000
225	Q	A	-2.2482
226	Q	A	-2.5591
227	G	A	-2.0493
228	K	A	-2.5775
229	V	A	-1.4905
230	D	A	-2.5746
231	E	A	-2.7998
232	A	A	0.0000
233	Y	A	-1.2873
234	Q	A	-2.1910
235	V	A	-1.7150
236	Q	A	0.0000
237	H	A	-1.9948
238	E	A	-2.1071
239	T	A	0.0000
240	N	A	-1.9929
241	D	A	-2.2816
242	I	A	0.0000
243	I	A	0.0000
244	A	A	-0.8522
245	K	A	-1.1420
246	I	A	0.0000
247	L	A	0.4763
248	E	A	-1.3473
249	L	A	0.0000
250	G	A	-0.1867
251	L	A	0.4488
252	Y	A	0.5861
253	P	A	0.0969
254	T	A	0.0000
255	L	A	0.0000
256	K	A	0.0000
257	E	A	0.0000
258	I	A	0.0000
259	L	A	0.0000
260	K	A	-1.2137
261	Y	A	-0.3411
262	R	A	-0.9869
263	G	A	-1.1289
264	I	A	0.0000
265	D	A	-2.1655
266	S	A	0.0000
267	G	A	-0.9197
268	L	A	-0.9048
269	P	A	0.0000
270	K	A	-1.5153
271	R	A	-2.0768
272	P	A	-0.9066
273	F	A	0.0540
274	A	A	-0.2847
275	P	A	-0.9087
276	F	A	0.0000
277	N	A	-2.7559
278	E	A	-3.4854
279	E	A	-3.3124
280	N	A	-2.6460
281	R	A	-2.4204
282	A	A	-1.5868
283	A	A	-1.5734
284	L	A	0.0000
285	D	A	-2.1774
286	E	A	-3.2255
287	L	A	0.0000
288	V	A	0.0000
289	N	A	-3.2887
290	K	A	-3.3398
291	Y	A	0.0000
292	N	A	-2.3311
293	L	A	-1.0570