Project name: aaecb34cd8b0f75

Chain sequence(s)	A: MAKTQAEINKRLDAYAKGTVDSPYRIKKATSYDPSFGVMEAGAIDADGYYHAQCQDLITDYVLWLTDNKVRTWGNAKDQIKQSYGTGFKIHENKPSTVPKKGWIAVFTSGSYQQWGHIGIVYDGGNTSTFTILEQNWNGYANKKPTKRVDNYYGLTHFIEIPVKAGSSGSSGPGSSGSSGWKTNKYGTLYKSESASFTPNTDIITRTTGPFRSMPQSGVLKAGQTIHYDEVMKQDGHVWVGYTGNSGQRIYLPVRTWNKSTNTLGVLWGTIKLEHHHHHH
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                                          (00:06:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:09)

• Minimal score value: -2.9361
• Maximal score value: 2.0092
• Average score: -0.661
• Total score value: -185.0806

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	0.7682
2	A	A	0.1530
3	K	A	-0.3805
4	T	A	-0.6020
5	Q	A	-0.9628
6	A	A	-1.3192
7	E	A	-1.8108
8	I	A	0.0000
9	N	A	-1.5011
10	K	A	-2.3231
11	R	A	0.0000
12	L	A	0.0000
13	D	A	-1.6466
14	A	A	-1.6831
15	Y	A	0.0000
16	A	A	-1.5271
17	K	A	-1.9536
18	G	A	-1.7856
19	T	A	-1.5113
20	V	A	0.0000
21	D	A	-1.9220
22	S	A	-1.0382
23	P	A	-0.8480
24	Y	A	-0.8645
25	R	A	-1.5708
26	I	A	-1.5545
27	K	A	-2.6411
28	K	A	-2.4471
29	A	A	-0.8778
30	T	A	-0.2082
31	S	A	0.7198
32	Y	A	1.1611
33	D	A	0.6705
34	P	A	0.1744
35	S	A	0.3921
36	F	A	1.0876
37	G	A	1.1192
38	V	A	1.5260
39	M	A	0.0000
40	E	A	-1.0807
41	A	A	-1.5673
42	G	A	0.0000
43	A	A	0.0000
44	I	A	0.0000
45	D	A	-0.5390
46	A	A	0.0000
47	D	A	-1.3999
48	G	A	-0.3158
49	Y	A	1.0915
50	Y	A	1.5335
51	H	A	0.0000
52	A	A	0.0000
53	Q	A	-0.0677
54	C	A	0.0000
55	Q	A	0.0000
56	D	A	0.0000
57	L	A	0.0000
58	I	A	0.0000
59	T	A	0.0000
60	D	A	0.0000
61	Y	A	0.0000
62	V	A	0.0000
63	L	A	0.0000
64	W	A	-1.0787
65	L	A	0.0000
66	T	A	-1.4461
67	D	A	-2.0931
68	N	A	-2.7360
69	K	A	-2.8161
70	V	A	-1.6483
71	R	A	-1.4624
72	T	A	0.0000
73	W	A	0.4629
74	G	A	-0.1621
75	N	A	-0.5112
76	A	A	0.0000
77	K	A	-1.1360
78	D	A	0.0000
79	Q	A	0.0000
80	I	A	-0.7471
81	K	A	-1.4683
82	Q	A	-0.9216
83	S	A	-0.8151
84	Y	A	0.0000
85	G	A	-1.0162
86	T	A	-0.7250
87	G	A	-0.9309
88	F	A	-1.0056
89	K	A	-1.9535
90	I	A	-1.1956
91	H	A	-1.5043
92	E	A	-2.3012
93	N	A	-1.8494
94	K	A	-2.2859
95	P	A	-1.2770
96	S	A	-0.8793
97	T	A	-1.0334
98	V	A	-0.3951
99	P	A	0.0000
100	K	A	-1.9678
101	K	A	0.0000
102	G	A	0.0000
103	W	A	-0.7925
104	I	A	0.0000
105	A	A	0.0000
106	V	A	0.0000
107	F	A	0.0000
108	T	A	-0.7563
109	S	A	-0.8472
110	G	A	-0.9154
111	S	A	-0.8608
112	Y	A	0.0000
113	Q	A	-2.0013
114	Q	A	-1.8194
115	W	A	-0.8114
116	G	A	0.0000
117	H	A	-0.5689
118	I	A	0.0000
119	G	A	0.0000
120	I	A	0.0000
121	V	A	0.0000
122	Y	A	-0.5792
123	D	A	-1.1545
124	G	A	-1.2814
125	G	A	-0.8745
126	N	A	-0.9963
127	T	A	-0.8083
128	S	A	-0.6937
129	T	A	-0.3673
130	F	A	0.0000
131	T	A	-0.1764
132	I	A	0.0000
133	L	A	0.0000
134	E	A	0.0000
135	Q	A	0.0000
136	N	A	-0.4969
137	W	A	-0.2418
138	N	A	-1.0112
139	G	A	-0.4081
140	Y	A	0.9768
141	A	A	0.0000
142	N	A	0.0297
143	K	A	-1.0857
144	K	A	-1.5850
145	P	A	0.0000
146	T	A	-1.1717
147	K	A	-1.0611
148	R	A	-0.1588
149	V	A	0.9691
150	D	A	0.0000
151	N	A	-0.6254
152	Y	A	0.1786
153	Y	A	0.7093
154	G	A	-0.0729
155	L	A	0.0000
156	T	A	-0.7462
157	H	A	-1.1828
158	F	A	0.0000
159	I	A	0.0000
160	E	A	-1.3592
161	I	A	0.0000
162	P	A	-0.2876
163	V	A	0.2340
164	K	A	-0.5024
165	A	A	-0.5058
166	G	A	-0.6884
167	S	A	-0.7620
168	S	A	-0.7764
169	G	A	-0.9937
170	S	A	-0.7612
171	S	A	-0.8717
172	G	A	-0.9860
173	P	A	-1.0583
174	G	A	-1.2087
175	S	A	-1.1958
176	S	A	-1.0967
177	G	A	-1.1430
178	S	A	-0.6901
179	S	A	-0.8518
180	G	A	-1.1027
181	W	A	-0.9231
182	K	A	-1.9834
183	T	A	-1.1953
184	N	A	-1.2638
185	K	A	-1.3675
186	Y	A	0.1623
187	G	A	-0.6322
188	T	A	0.0000
189	L	A	-0.5123
190	Y	A	-0.6405
191	K	A	-1.1749
192	S	A	-1.2910
193	E	A	-1.2453
194	S	A	-1.6084
195	A	A	0.0000
196	S	A	0.0000
197	F	A	0.0000
198	T	A	-1.0410
199	P	A	0.0000
200	N	A	-1.9341
201	T	A	-1.5450
202	D	A	-1.6149
203	I	A	0.0000
204	I	A	0.7087
205	T	A	0.0000
206	R	A	-0.6042
207	T	A	-0.8255
208	T	A	-0.3611
209	G	A	0.0000
210	P	A	0.0000
211	F	A	-0.4291
212	R	A	-1.1309
213	S	A	-0.8142
214	M	A	-0.6343
215	P	A	-1.0752
216	Q	A	-1.2162
217	S	A	-0.6145
218	G	A	0.0405
219	V	A	0.5322
220	L	A	-0.4816
221	K	A	-2.0314
222	A	A	-1.9600
223	G	A	-1.8379
224	Q	A	-1.9195
225	T	A	-0.9458
226	I	A	0.0000
227	H	A	-1.4669
228	Y	A	0.0000
229	D	A	-1.8346
230	E	A	-1.4270
231	V	A	0.0000
232	M	A	0.0000
233	K	A	0.0000
234	Q	A	-0.6490
235	D	A	-1.2740
236	G	A	-1.2940
237	H	A	-0.7772
238	V	A	0.0000
239	W	A	0.0000
240	V	A	0.0000
241	G	A	0.0000
242	Y	A	0.0000
243	T	A	-1.2576
244	G	A	-1.4395
245	N	A	-1.8279
246	S	A	-1.4744
247	G	A	-1.5756
248	Q	A	-1.7091
249	R	A	-1.1749
250	I	A	-0.5421
251	Y	A	-0.1563
252	L	A	0.0000
253	P	A	0.0000
254	V	A	0.0000
255	R	A	0.3878
256	T	A	0.0195
257	W	A	0.0000
258	N	A	-1.6949
259	K	A	-2.5771
260	S	A	-1.8510
261	T	A	-1.4965
262	N	A	-1.8371
263	T	A	-0.7278
264	L	A	0.4949
265	G	A	0.9343
266	V	A	2.0092
267	L	A	1.2020
268	W	A	0.2875
269	G	A	-0.0883
270	T	A	-0.1681
271	I	A	0.2776
272	K	A	-0.7852
273	L	A	-0.3158
274	E	A	-2.3702
275	H	A	-2.5409
276	H	A	-2.7130
277	H	A	-2.9361
278	H	A	-2.6699
279	H	A	-2.4004
280	H	A	-1.8823