Project name: b5007e0ef54ee63

Chain sequence(s)	A: MRRWCYRKCYKGYCYRKCRGGSSRSSSPQRVNGKVKGRIFVGSSQTPIVFENTDLASYVVMNHGNSYTAISTIPETVGYSLLPLAPVGGIIGWMFAVEQDGFKNGFSITGGEFTRQAEVTFQGHPGNLVIKQRFSGIDEKGNLTIDTELEGRVPQIPEGSSVHIEPYTELYHYSTSVITSSSTREYTVTEPERDCGASPSRIYTYQWRQTITFQESTHDDSRPALPSTQQLSVDSVSVLYNQEEKILAYALSNSIGPVREGSPDAKHHHHHH
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                                          (00:04:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:28)

• Minimal score value: -3.587
• Maximal score value: 1.4023
• Average score: -0.9378
• Total score value: -255.0905

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	-0.5075
2	R	A	-2.5549
3	R	A	-2.9376
4	W	A	-1.5474
5	C	A	-1.6424
6	Y	A	0.0000
7	R	A	-1.2801
8	K	A	-0.8781
9	C	A	-0.3068
10	Y	A	0.5983
11	K	A	-0.8216
12	G	A	-0.4349
13	Y	A	0.9539
14	C	A	-0.1591
15	Y	A	-0.4447
16	R	A	-2.3658
17	K	A	-2.2474
18	C	A	-1.8185
19	R	A	-2.5727
20	G	A	-2.1644
21	G	A	-2.1608
22	S	A	-1.5592
23	S	A	-1.2871
24	R	A	-2.2609
25	S	A	-1.4639
26	S	A	-1.4142
27	S	A	-0.7915
28	P	A	-0.5281
29	Q	A	0.0000
30	R	A	-1.7258
31	V	A	0.0000
32	N	A	-1.6527
33	G	A	-2.0350
34	K	A	-3.0796
35	V	A	0.0000
36	K	A	-2.9083
37	G	A	0.0000
38	R	A	-1.5294
39	I	A	0.0000
40	F	A	-0.5896
41	V	A	0.0000
42	G	A	-0.8719
43	S	A	-0.7936
44	S	A	-0.8334
45	Q	A	-1.2073
46	T	A	-0.5175
47	P	A	-0.2446
48	I	A	0.5253
49	V	A	0.2404
50	F	A	0.0000
51	E	A	-3.1423
52	N	A	-3.1105
53	T	A	0.0000
54	D	A	-2.9991
55	L	A	0.0000
56	A	A	-0.8737
57	S	A	0.0000
58	Y	A	0.2953
59	V	A	0.0000
60	V	A	-0.1915
61	M	A	-0.4329
62	N	A	-1.7125
63	H	A	-1.3740
64	G	A	0.0000
65	N	A	-0.4093
66	S	A	0.0000
67	Y	A	0.5956
68	T	A	0.0000
69	A	A	0.1882
70	I	A	0.0000
71	S	A	-1.2318
72	T	A	-1.4620
73	I	A	0.0000
74	P	A	-0.5844
75	E	A	-2.1699
76	T	A	-1.0199
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	0.0000
87	V	A	0.0000
88	G	A	0.0000
89	G	A	0.0099
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	-0.5745
98	E	A	-1.3867
99	Q	A	-2.0432
100	D	A	-2.5298
101	G	A	-1.6381
102	F	A	-1.0916
103	K	A	-0.8226
104	N	A	0.0000
105	G	A	0.0000
106	F	A	0.0000
107	S	A	0.0000
108	I	A	0.0000
109	T	A	0.0000
110	G	A	0.0000
111	G	A	0.0000
112	E	A	-2.3712
113	F	A	0.0000
114	T	A	-1.7227
115	R	A	0.0000
116	Q	A	-1.9353
117	A	A	0.0000
118	E	A	-1.9457
119	V	A	0.0000
120	T	A	-1.4339
121	F	A	0.0000
122	Q	A	-1.6779
123	G	A	-1.1015
124	H	A	-1.1827
125	P	A	-1.1050
126	G	A	-1.1847
127	N	A	-1.5618
128	L	A	0.0000
129	V	A	-1.4022
130	I	A	0.0000
131	K	A	-2.3029
132	Q	A	0.0000
133	R	A	-2.9670
134	F	A	0.0000
135	S	A	-1.3562
136	G	A	0.0000
137	I	A	-1.2020
138	D	A	-1.7917
139	E	A	-2.7969
140	K	A	-2.8945
141	G	A	-1.8494
142	N	A	0.0000
143	L	A	0.0000
144	T	A	-1.4177
145	I	A	0.0000
146	D	A	-2.6730
147	T	A	0.0000
148	E	A	-2.7273
149	L	A	0.0000
150	E	A	-2.1136
151	G	A	-1.3078
152	R	A	-1.2009
153	V	A	0.0000
154	P	A	-1.0674
155	Q	A	-1.5119
156	I	A	0.0000
157	P	A	-1.4666
158	E	A	-2.5503
159	G	A	-1.8171
160	S	A	0.0000
161	S	A	-0.4847
162	V	A	0.0000
163	H	A	-1.3719
164	I	A	0.0000
165	E	A	-2.7151
166	P	A	-1.8098
167	Y	A	-0.9815
168	T	A	-0.4115
169	E	A	0.0000
170	L	A	0.0000
171	Y	A	0.0000
172	H	A	-0.2905
173	Y	A	-0.0414
174	S	A	-0.1154
175	T	A	-0.2930
176	S	A	-0.5060
177	V	A	0.0663
178	I	A	0.0000
179	T	A	-0.5031
180	S	A	0.0000
181	S	A	-1.2529
182	S	A	0.0000
183	T	A	-1.1456
184	R	A	0.0000
185	E	A	-2.0255
186	Y	A	0.0000
187	T	A	-1.0223
188	V	A	0.0000
189	T	A	-1.1209
190	E	A	-1.8832
191	P	A	-2.4028
192	E	A	-3.3588
193	R	A	-3.5870
194	D	A	-2.9048
195	C	A	-1.2735
196	G	A	-1.7648
197	A	A	-1.3389
198	S	A	-1.8343
199	P	A	-1.4468
200	S	A	-1.0538
201	R	A	-1.2899
202	I	A	0.0517
203	Y	A	-0.0244
204	T	A	-0.7055
205	Y	A	0.0000
206	Q	A	-1.6877
207	W	A	0.0000
208	R	A	-2.4103
209	Q	A	0.0000
210	T	A	-0.8584
211	I	A	0.0000
212	T	A	-0.8360
213	F	A	0.0000
214	Q	A	-1.9635
215	E	A	-1.8434
216	S	A	-1.2809
217	T	A	-1.4747
218	H	A	-1.8491
219	D	A	-2.2276
220	D	A	-2.6531
221	S	A	-1.7761
222	R	A	-1.6923
223	P	A	-0.9717
224	A	A	-0.4666
225	L	A	-0.0836
226	P	A	-0.1964
227	S	A	-0.2436
228	T	A	-0.0703
229	Q	A	0.0000
230	Q	A	-0.3075
231	L	A	0.0000
232	S	A	-0.2419
233	V	A	0.0000
234	D	A	-1.6446
235	S	A	-1.1248
236	V	A	-0.9223
237	S	A	-0.2113
238	V	A	0.6722
239	L	A	1.4023
240	Y	A	0.0000
241	N	A	-1.5475
242	Q	A	-2.6492
243	E	A	-3.2923
244	E	A	-3.2421
245	K	A	-2.4400
246	I	A	-1.0518
247	L	A	0.0000
248	A	A	0.6668
249	Y	A	0.0000
250	A	A	0.3193
251	L	A	0.0000
252	S	A	-0.6234
253	N	A	0.0000
254	S	A	-0.4767
255	I	A	0.0000
256	G	A	0.0000
257	P	A	-1.0010
258	V	A	-0.7897
259	R	A	-2.5786
260	E	A	-3.1018
261	G	A	-2.1495
262	S	A	0.0000
263	P	A	-1.6181
264	D	A	-1.6198
265	A	A	-2.3874
266	K	A	-3.3988
267	H	A	-3.0913
268	H	A	-3.1244
269	H	A	-3.1580
270	H	A	-3.0482
271	H	A	-2.6055
272	H	A	-2.1062