Project name: 30bc3afef2174

Chain sequence(s)	A: MSHHHHHHSGSEASKLVENLLKVLELEEELLKEENSSLLETLENFVLYLAMVALTLFMLALILRYAHLMGELVDIPKLREVLEKLEKFIEKLKKLLEEKGKKWTTSKGEEVELSDELLKKIEELIETLEEYLEVFSEIVYSTPVDQPIPEEDIEKLIALLPKLGEVFDEVIDLVIESFPDLPDEVVILLYRSRWLFERSLRVLGEGDPGWLRYLVYRGMWRIMDILEFITGKKIRYRIDHKKQEFVIESVENS
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]                                                (00:00:04)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:04)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:04)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:04)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:04)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:12)

• Minimal score value: -4.5486
• Maximal score value: 0.6776
• Average score: -1.2291
• Total score value: -310.967

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	0.5599
2	S	A	-0.6143
3	H	A	-1.7422
4	H	A	-2.3355
5	H	A	-2.7368
6	H	A	-2.7480
7	H	A	-2.5192
8	H	A	-2.1227
9	S	A	-1.4520
10	G	A	-1.2865
11	S	A	-0.8704
12	E	A	-1.4631
13	A	A	0.0000
14	S	A	-1.0070
15	K	A	-1.7156
16	L	A	0.0000
17	V	A	0.0000
18	E	A	-1.7687
19	N	A	0.0000
20	L	A	0.0000
21	L	A	-1.2066
22	K	A	-1.0818
23	V	A	0.0000
24	L	A	0.0000
25	E	A	-2.2020
26	L	A	-1.4266
27	E	A	0.0000
28	E	A	-2.9079
29	E	A	-3.0436
30	L	A	-1.8813
31	L	A	0.0000
32	K	A	-3.2742
33	E	A	-3.5960
34	E	A	-3.1793
35	N	A	-2.4256
36	S	A	-1.8521
37	S	A	-1.1315
38	L	A	-0.6177
39	L	A	0.0000
40	E	A	-0.9203
41	T	A	-1.0565
42	L	A	0.0000
43	E	A	0.0000
44	N	A	0.0000
45	F	A	0.0000
46	V	A	0.0000
47	L	A	0.0000
48	Y	A	0.0000
49	L	A	0.0000
50	A	A	0.0000
51	M	A	0.0000
52	V	A	0.0000
53	A	A	0.0000
54	L	A	0.0000
55	T	A	0.0000
56	L	A	0.0000
57	F	A	0.0000
58	M	A	0.0000
59	L	A	0.0000
60	A	A	0.0000
61	L	A	0.0000
62	I	A	0.0000
63	L	A	0.0000
64	R	A	-0.9185
65	Y	A	0.0000
66	A	A	0.0000
67	H	A	-0.4859
68	L	A	0.0205
69	M	A	0.2633
70	G	A	-0.1913
71	E	A	-0.4067
72	L	A	-0.2724
73	V	A	0.0000
74	D	A	-0.9266
75	I	A	0.0000
76	P	A	-0.5508
77	K	A	-1.6459
78	L	A	0.0000
79	R	A	-1.3986
80	E	A	-2.3993
81	V	A	0.0000
82	L	A	0.0000
83	E	A	-2.8415
84	K	A	-2.5943
85	L	A	0.0000
86	E	A	-4.2760
87	K	A	-3.7466
88	F	A	0.0000
89	I	A	0.0000
90	E	A	-3.8939
91	K	A	-2.7817
92	L	A	0.0000
93	K	A	-3.6187
94	K	A	-3.4606
95	L	A	-2.5610
96	L	A	0.0000
97	E	A	-3.6999
98	E	A	-3.5775
99	K	A	-2.5704
100	G	A	-2.3506
101	K	A	-2.6108
102	K	A	-2.8250
103	W	A	0.0000
104	T	A	-2.4381
105	T	A	-2.1215
106	S	A	-1.7417
107	K	A	-2.8003
108	G	A	-2.6483
109	E	A	-3.4252
110	E	A	-3.5737
111	V	A	-2.4493
112	E	A	-2.9535
113	L	A	0.0000
114	S	A	-2.4079
115	D	A	-3.4677
116	E	A	-3.4001
117	L	A	0.0000
118	L	A	-2.7412
119	K	A	-3.6272
120	K	A	-3.1618
121	I	A	0.0000
122	E	A	-3.4111
123	E	A	-3.0533
124	L	A	0.0000
125	I	A	0.0000
126	E	A	-3.7932
127	T	A	-2.9260
128	L	A	0.0000
129	E	A	-4.5486
130	E	A	-3.7155
131	Y	A	0.0000
132	L	A	0.0000
133	E	A	-3.5596
134	V	A	-2.1625
135	F	A	0.0000
136	S	A	-1.7309
137	E	A	-1.9110
138	I	A	0.0000
139	V	A	0.0000
140	Y	A	0.6776
141	S	A	0.0360
142	T	A	0.0000
143	P	A	-0.2983
144	V	A	0.1807
145	D	A	-1.7331
146	Q	A	-1.7631
147	P	A	-1.2874
148	I	A	0.0000
149	P	A	-2.2577
150	E	A	-3.4078
151	E	A	-3.7720
152	D	A	-3.0038
153	I	A	0.0000
154	E	A	-3.5795
155	K	A	-2.8271
156	L	A	0.0000
157	I	A	-0.9708
158	A	A	-0.8135
159	L	A	-0.6536
160	L	A	0.0000
161	P	A	-1.2385
162	K	A	-1.8790
163	L	A	0.0000
164	G	A	0.0000
165	E	A	-3.1304
166	V	A	0.0000
167	F	A	0.0000
168	D	A	-2.6080
169	E	A	-2.8930
170	V	A	0.0000
171	I	A	0.0000
172	D	A	-2.4664
173	L	A	-1.7841
174	V	A	0.0000
175	I	A	-1.1415
176	E	A	-2.1927
177	S	A	-1.3788
178	F	A	-1.0480
179	P	A	-1.5577
180	D	A	-2.2189
181	L	A	-1.7808
182	P	A	-1.9137
183	D	A	-2.5014
184	E	A	-2.1246
185	V	A	0.0000
186	V	A	-0.2681
187	I	A	0.1488
188	L	A	0.0000
189	L	A	0.0000
190	Y	A	0.3068
191	R	A	-0.4100
192	S	A	0.0000
193	R	A	-0.9679
194	W	A	-0.7054
195	L	A	0.0000
196	F	A	0.0000
197	E	A	-2.5552
198	R	A	-1.7658
199	S	A	0.0000
200	L	A	-1.4422
201	R	A	-2.4641
202	V	A	0.0000
203	L	A	0.0000
204	G	A	-2.0649
205	E	A	-2.6495
206	G	A	-1.7739
207	D	A	-1.6987
208	P	A	-0.6676
209	G	A	-0.3561
210	W	A	-0.2378
211	L	A	0.0000
212	R	A	-0.4473
213	Y	A	0.6456
214	L	A	0.0000
215	V	A	0.0000
216	Y	A	0.0000
217	R	A	-0.0819
218	G	A	0.0000
219	M	A	0.0000
220	W	A	0.2263
221	R	A	-0.3955
222	I	A	0.0000
223	M	A	0.0000
224	D	A	-0.6786
225	I	A	0.0000
226	L	A	0.0000
227	E	A	-1.2427
228	F	A	-0.5218
229	I	A	0.0000
230	T	A	0.0000
231	G	A	-1.2888
232	K	A	-2.2076
233	K	A	-2.4494
234	I	A	0.0000
235	R	A	-2.7232
236	Y	A	-1.6035
237	R	A	-2.3023
238	I	A	0.0000
239	D	A	-2.4990
240	H	A	-2.9906
241	K	A	-3.3048
242	K	A	-3.4087
243	Q	A	-2.7075
244	E	A	-2.5386
245	F	A	0.0000
246	V	A	-1.0468
247	I	A	-0.8858
248	E	A	-2.2654
249	S	A	-1.4288
250	V	A	-1.3237
251	E	A	-2.7320
252	N	A	-2.4509
253	S	A	-1.6962