Project name: eae7544f683aa5f

Chain sequence(s)	A: MRRWCYRKCYKGYCYRKCRGGSSRSSSPQRVNGKVKGRIFVGSSQTPIVFENTDLASYVVMNHGNSYTAISTIPETVGYSLLPLAPVGGIIGWMFAVEQDGFKNGFSITGGEFTRQAEVTFQGHPGNLVIKQRFSGIDEKGNLTIDTELEGRVPQIPEGSSVHIEPYTELYHYSTSVITSSSTREYTVTEPERDGASPSRIYTYQWRQTITFQESTHDDSRPALPSTQQLSVDSVSVLYNQEEKILAYALSNSIGPVREGSPDAKHHHHHH
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                                          (00:04:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:24)

• Minimal score value: -3.8828
• Maximal score value: 1.3862
• Average score: -0.9506
• Total score value: -257.6255

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	-0.7221
2	R	A	-2.3804
3	R	A	-2.7993
4	W	A	-1.5323
5	C	A	-1.4487
6	Y	A	-1.1904
7	R	A	-1.5244
8	K	A	-0.9316
9	C	A	0.1087
10	Y	A	0.7702
11	K	A	-0.7963
12	G	A	-0.2668
13	Y	A	0.9153
14	C	A	-0.0028
15	Y	A	-0.4840
16	R	A	-2.3832
17	K	A	-2.5274
18	C	A	-1.8867
19	R	A	-2.8010
20	G	A	-2.0925
21	G	A	-2.1638
22	S	A	-1.5271
23	S	A	-1.3707
24	R	A	-2.1292
25	S	A	-1.3351
26	S	A	-0.9491
27	S	A	-0.5720
28	P	A	-0.0878
29	Q	A	0.0000
30	R	A	-0.4903
31	V	A	0.0000
32	N	A	-1.3927
33	G	A	-2.0658
34	K	A	-3.2312
35	V	A	0.0000
36	K	A	-3.0564
37	G	A	0.0000
38	R	A	-1.4798
39	I	A	0.0000
40	F	A	-0.5760
41	V	A	0.0000
42	G	A	-0.9632
43	S	A	-0.8529
44	S	A	-0.8578
45	Q	A	-1.2517
46	T	A	-0.5000
47	P	A	-0.2083
48	I	A	0.5921
49	V	A	0.3381
50	F	A	0.0000
51	E	A	-3.1370
52	N	A	-3.0664
53	T	A	0.0000
54	D	A	-2.4892
55	L	A	0.0000
56	A	A	-0.5500
57	S	A	0.0000
58	Y	A	0.7893
59	V	A	0.0000
60	V	A	0.2116
61	M	A	-0.3088
62	N	A	-1.4289
63	H	A	-1.3651
64	G	A	0.0000
65	N	A	-0.3962
66	S	A	0.0000
67	Y	A	0.6747
68	T	A	0.0000
69	A	A	0.2652
70	I	A	0.0000
71	S	A	-1.0731
72	T	A	-1.3861
73	I	A	0.0000
74	P	A	-0.6840
75	E	A	-2.4039
76	T	A	-1.1206
77	V	A	0.0000
78	G	A	0.0000
79	Y	A	0.0000
80	S	A	0.0000
81	L	A	0.0000
82	L	A	0.0000
83	P	A	0.0000
84	L	A	0.0000
85	A	A	0.0000
86	P	A	-0.0540
87	V	A	0.0000
88	G	A	0.0000
89	G	A	-0.0208
90	I	A	0.0000
91	I	A	0.0000
92	G	A	0.0000
93	W	A	0.0000
94	M	A	0.0000
95	F	A	0.0000
96	A	A	0.0000
97	V	A	-0.6492
98	E	A	-1.3555
99	Q	A	-1.7793
100	D	A	-2.4168
101	G	A	-1.5908
102	F	A	-1.0728
103	K	A	-1.1020
104	N	A	0.0000
105	G	A	0.0000
106	F	A	0.0000
107	S	A	-0.1094
108	I	A	-0.2752
109	T	A	0.0000
110	G	A	-0.8659
111	G	A	0.0000
112	E	A	-1.9041
113	F	A	0.0000
114	T	A	-1.6778
115	R	A	0.0000
116	Q	A	-2.3015
117	A	A	0.0000
118	E	A	-2.1479
119	V	A	0.0000
120	T	A	-1.5028
121	F	A	0.0000
122	Q	A	-1.8013
123	G	A	-1.3260
124	H	A	-1.4126
125	P	A	-1.1777
126	G	A	-1.1069
127	N	A	-1.4086
128	L	A	0.0000
129	V	A	-1.4277
130	I	A	0.0000
131	K	A	-2.5415
132	Q	A	0.0000
133	R	A	-3.0128
134	F	A	0.0000
135	S	A	-1.1934
136	G	A	0.0000
137	I	A	-0.5500
138	D	A	-1.6827
139	E	A	-2.7525
140	K	A	-2.7555
141	G	A	-1.6012
142	N	A	-1.2332
143	L	A	0.0000
144	T	A	-1.2261
145	I	A	0.0000
146	D	A	-2.9216
147	T	A	0.0000
148	E	A	-3.0040
149	L	A	0.0000
150	E	A	-2.1548
151	G	A	-1.2583
152	R	A	-1.2812
153	V	A	0.0000
154	P	A	0.0000
155	Q	A	-1.5346
156	I	A	0.0000
157	P	A	-1.5483
158	E	A	-2.6520
159	G	A	-2.0281
160	S	A	0.0000
161	S	A	-0.5515
162	V	A	0.0000
163	H	A	-1.3197
164	I	A	0.0000
165	E	A	-2.7033
166	P	A	-1.6134
167	Y	A	-0.9763
168	T	A	-0.4765
169	E	A	-0.2253
170	L	A	-0.0817
171	Y	A	0.0000
172	H	A	-0.3950
173	Y	A	0.0054
174	S	A	-0.0283
175	T	A	-0.1414
176	S	A	-0.2292
177	V	A	0.3837
178	I	A	0.0000
179	T	A	-0.4371
180	S	A	0.0000
181	S	A	-1.2493
182	S	A	0.0000
183	T	A	-1.3471
184	R	A	-1.5706
185	E	A	-2.0096
186	Y	A	0.0000
187	T	A	-0.9632
188	V	A	0.0000
189	T	A	-1.2226
190	E	A	-2.1899
191	P	A	-2.3317
192	E	A	-3.5464
193	R	A	-3.8828
194	D	A	-3.3267
195	G	A	-2.4380
196	A	A	-2.1303
197	S	A	-2.0081
198	P	A	-1.5838
199	S	A	-1.0331
200	R	A	-1.2026
201	I	A	0.2884
202	Y	A	-0.2531
203	T	A	-0.9487
204	Y	A	0.0000
205	Q	A	-1.9681
206	W	A	0.0000
207	R	A	-2.3767
208	Q	A	0.0000
209	T	A	-0.8948
210	I	A	0.0000
211	T	A	-0.6370
212	F	A	0.0000
213	Q	A	-1.6384
214	E	A	-1.2379
215	S	A	-1.4194
216	T	A	-1.3349
217	H	A	-1.9373
218	D	A	-2.2623
219	D	A	-2.7258
220	S	A	-1.9321
221	R	A	-2.0315
222	P	A	-1.1060
223	A	A	-0.4372
224	L	A	0.0519
225	P	A	-0.1556
226	S	A	-0.2497
227	T	A	-0.0470
228	Q	A	0.0000
229	Q	A	0.0000
230	L	A	0.0000
231	S	A	-0.2418
232	V	A	0.0000
233	D	A	-1.6159
234	S	A	-1.1053
235	V	A	-0.9379
236	S	A	-0.2312
237	V	A	0.6589
238	L	A	1.3862
239	Y	A	0.0000
240	N	A	-1.5926
241	Q	A	-2.8190
242	E	A	-3.3748
243	E	A	-3.3096
244	K	A	-2.5739
245	I	A	-1.0562
246	L	A	0.0000
247	A	A	0.6495
248	Y	A	0.0000
249	A	A	0.2780
250	L	A	0.0000
251	S	A	-0.6608
252	N	A	0.0000
253	S	A	-0.5065
254	I	A	0.0000
255	G	A	0.0000
256	P	A	-0.7839
257	V	A	-0.7557
258	R	A	-2.4571
259	E	A	-3.0512
260	G	A	-2.1282
261	S	A	-1.6819
262	P	A	-1.5487
263	D	A	-1.9461
264	A	A	-2.4256
265	K	A	-3.4167
266	H	A	-3.1846
267	H	A	-3.1723
268	H	A	-3.1659
269	H	A	-3.0504
270	H	A	-2.6166
271	H	A	-2.1158