Project name: d6da7457d2f4c8

Chain sequence(s)	A: MRRWCYRKCYKGYCYRKCRGGSSRSSSPQRVNGKVKGRIFVGSSQVPIVFENTDLASYVVMNHGNSYTAISTIPETVGYSLLPLAPVGGIIGWMFAVEQDGFKNGFSITGGEFTRQAEVTFVGHPGNLVIKQRFSGIDEHGHLTIDTELEGRVPQIPFGSSVHIEPYTELYHYSTSVITSSSTREYTVTEPERDGASPSRIYTYQWRQTITFQECVHDDSRPALPSTQQLSVDSVSVLYNQEEKILAYALSNSIGPVREGSPDAKHHHHHH
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                                          (00:04:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:36)

• Minimal score value: -3.8903
• Maximal score value: 1.366
• Average score: -0.7899
• Total score value: -214.0628

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	-0.3613
2	R	A	-1.8694
3	R	A	-2.4643
4	W	A	0.0000
5	C	A	-1.4972
6	Y	A	-1.3984
7	R	A	-1.9055
8	K	A	-1.7123
9	C	A	-0.1291
10	Y	A	0.7051
11	K	A	-0.7644
12	G	A	-0.1007
13	Y	A	0.8290
14	C	A	-0.1955
15	Y	A	-0.4856
16	R	A	-2.3616
17	K	A	-2.2727
18	C	A	-1.6350
19	R	A	-1.8559
20	G	A	-1.8201
21	G	A	-1.6264
22	S	A	-1.3591
23	S	A	-1.2529
24	R	A	-2.3403
25	S	A	-1.9232
26	S	A	-1.0861
27	S	A	-1.0176
28	P	A	-0.5429
29	Q	A	0.0000
30	R	A	-0.6336
31	V	A	0.0000
32	N	A	-1.3263
33	G	A	-2.0341
34	K	A	-3.3538
35	V	A	0.0000
36	K	A	-3.1682
37	G	A	0.0000
38	R	A	-1.4308
39	I	A	0.0000
40	F	A	-0.1386
41	V	A	0.0000
42	G	A	-0.9337
43	S	A	-0.6171
44	S	A	-0.2774
45	Q	A	-0.3639
46	V	A	1.2932
47	P	A	0.5791
48	I	A	0.8303
49	V	A	0.2267
50	F	A	0.0000
51	E	A	-3.3211
52	N	A	-3.2916
53	T	A	0.0000
54	D	A	-3.1116
55	L	A	0.0000
56	A	A	-0.7152
57	S	A	0.0000
58	Y	A	0.4511
59	V	A	0.0000
60	V	A	-0.3004
61	M	A	0.0000
62	N	A	-1.6893
63	H	A	-1.4890
64	G	A	0.0000
65	N	A	-0.6111
66	S	A	0.0000
67	Y	A	0.5446
68	T	A	0.0000
69	A	A	0.1441
70	I	A	0.0000
71	S	A	-1.2230
72	T	A	-1.3513
73	I	A	0.0000
74	P	A	-0.3502
75	E	A	-1.1329
76	T	A	-0.2899
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	-0.0053
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	-0.5186
98	E	A	0.0000
99	Q	A	-1.3403
100	D	A	-2.1826
101	G	A	-1.4388
102	F	A	-0.8524
103	K	A	-0.7715
104	N	A	0.0000
105	G	A	0.0000
106	F	A	0.0000
107	S	A	-0.3376
108	I	A	0.0000
109	T	A	0.0000
110	G	A	0.0000
111	G	A	0.0000
112	E	A	-2.5201
113	F	A	0.0000
114	T	A	-1.7374
115	R	A	0.0000
116	Q	A	-2.2483
117	A	A	0.0000
118	E	A	-2.2968
119	V	A	0.0000
120	T	A	-0.8338
121	F	A	0.0000
122	V	A	0.9261
123	G	A	-0.0075
124	H	A	-0.5734
125	P	A	-0.7613
126	G	A	-0.7978
127	N	A	-1.0888
128	L	A	0.0000
129	V	A	-1.3660
130	I	A	0.0000
131	K	A	-2.1827
132	Q	A	0.0000
133	R	A	-2.8919
134	F	A	0.0000
135	S	A	-1.5377
136	G	A	0.0000
137	I	A	-1.2749
138	D	A	-2.2983
139	E	A	-2.8428
140	H	A	-2.3656
141	G	A	-1.7369
142	H	A	-1.4779
143	L	A	0.0000
144	T	A	-1.4328
145	I	A	0.0000
146	D	A	-2.5454
147	T	A	0.0000
148	E	A	-2.4649
149	L	A	0.0000
150	E	A	-2.0402
151	G	A	-1.2497
152	R	A	-1.2564
153	V	A	0.0000
154	P	A	0.0000
155	Q	A	-1.0443
156	I	A	0.0000
157	P	A	0.0410
158	F	A	0.7391
159	G	A	-0.3089
160	S	A	0.0000
161	S	A	-0.1371
162	V	A	0.0000
163	H	A	-1.3583
164	I	A	0.0000
165	E	A	-2.6259
166	P	A	-1.7522
167	Y	A	-0.9184
168	T	A	-0.2489
169	E	A	0.0000
170	L	A	0.0000
171	Y	A	0.0000
172	H	A	-0.3069
173	Y	A	-0.0650
174	S	A	-0.1192
175	T	A	0.0358
176	S	A	-0.1147
177	V	A	0.1647
178	I	A	0.0000
179	T	A	-0.5172
180	S	A	0.0000
181	S	A	-1.1598
182	S	A	0.0000
183	T	A	-0.7602
184	R	A	0.0000
185	E	A	-1.6726
186	Y	A	0.0000
187	T	A	-1.1430
188	V	A	0.0000
189	T	A	-1.3255
190	E	A	-1.6753
191	P	A	-1.9647
192	E	A	-3.5565
193	R	A	-3.8903
194	D	A	-3.3324
195	G	A	-2.4402
196	A	A	-2.1459
197	S	A	-2.0264
198	P	A	-1.5824
199	S	A	-1.1485
200	R	A	-1.5022
201	I	A	-0.2484
202	Y	A	0.1805
203	T	A	0.0279
204	Y	A	0.0000
205	Q	A	-1.3105
206	W	A	0.0000
207	R	A	-2.5681
208	Q	A	0.0000
209	T	A	-0.9864
210	I	A	0.0000
211	T	A	-0.7874
212	F	A	0.0000
213	Q	A	-1.6000
214	E	A	-0.7214
215	C	A	0.0000
216	V	A	0.7637
217	H	A	-0.5459
218	D	A	-1.2275
219	D	A	-2.0652
220	S	A	-1.5059
221	R	A	-1.1387
222	P	A	-0.7604
223	A	A	-0.3654
224	L	A	-0.0831
225	P	A	-0.2157
226	S	A	-0.2665
227	T	A	-0.0190
228	Q	A	0.0000
229	Q	A	0.0000
230	L	A	0.0000
231	S	A	-0.3255
232	V	A	0.0000
233	D	A	-1.5624
234	S	A	-1.0382
235	V	A	-0.8985
236	S	A	-0.2023
237	V	A	0.6598
238	L	A	1.3660
239	Y	A	0.0000
240	N	A	-1.4205
241	Q	A	-2.1049
242	E	A	-3.2051
243	E	A	-3.1230
244	K	A	-2.1833
245	I	A	-0.9275
246	L	A	0.0000
247	A	A	0.6631
248	Y	A	0.0000
249	A	A	0.2627
250	L	A	0.0000
251	S	A	-0.6531
252	N	A	0.0000
253	S	A	-0.3455
254	I	A	0.0000
255	G	A	0.0000
256	P	A	-0.5310
257	V	A	-0.2438
258	R	A	-1.9661
259	E	A	-2.7703
260	G	A	-1.9476
261	S	A	0.0000
262	P	A	-1.4248
263	D	A	0.0000
264	A	A	-2.1461
265	K	A	-3.3379
266	H	A	-3.0891
267	H	A	-3.1620
268	H	A	-3.2599
269	H	A	-3.1276
270	H	A	-2.6706
271	H	A	-2.1634