Project name: ELN

Chain sequence(s)	A: GVPGVPGAIPGIGGIAGVGTPAAAAAAAAAAKAAKYGAAAGLVPGGPGFGPGVVGVPGAGVPGVGVPGAGIPVVPGAGIPGAAVPGVVSPEAAAKAAAKAAKYGARPGVGVGGIPTYGVGAGGFPGFGVGVGGIPGVAGVPGVGGVPGVGGVPGVGISPEAQAAAAAKAAKYGAAGAGVLGGLVPGAPGAVPGVPGTGGVPG
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                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -2.4724
• Maximal score value: 2.8636
• Average score: 0.4551
• Total score value: 91.9278

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	G	A	0.2741
2	V	A	1.5216
3	P	A	0.6375
4	G	A	0.5522
5	V	A	1.4626
6	P	A	0.4710
7	G	A	0.3911
8	A	A	0.8561
9	I	A	1.8664
10	P	A	0.8615
11	G	A	0.7842
12	I	A	1.8333
13	G	A	0.7285
14	G	A	0.8433
15	I	A	2.0830
16	A	A	0.9808
17	G	A	0.8054
18	V	A	1.5922
19	G	A	0.2343
20	T	A	0.0687
21	P	A	-0.0796
22	A	A	-0.0826
23	A	A	0.1254
24	A	A	-0.0298
25	A	A	0.0765
26	A	A	0.0163
27	A	A	-0.0289
28	A	A	-0.2090
29	A	A	-0.4964
30	A	A	-0.5378
31	A	A	-0.8451
32	K	A	-1.6125
33	A	A	-0.2762
34	A	A	-0.6254
35	K	A	-1.5356
36	Y	A	0.4638
37	G	A	0.5760
38	A	A	0.3424
39	A	A	0.2763
40	A	A	0.6948
41	G	A	0.9691
42	L	A	2.3697
43	V	A	2.2172
44	P	A	0.5880
45	G	A	-0.0678
46	G	A	-0.2958
47	P	A	-0.4529
48	G	A	0.0355
49	F	A	1.4153
50	G	A	0.3374
51	P	A	0.3770
52	G	A	0.8296
53	V	A	2.6624
54	V	A	2.8636
55	G	A	1.7119
56	V	A	1.8954
57	P	A	0.3360
58	G	A	-0.0666
59	A	A	0.2448
60	G	A	0.3244
61	V	A	1.4678
62	P	A	0.5692
63	G	A	0.8084
64	V	A	1.9290
65	G	A	1.0173
66	V	A	1.6777
67	P	A	0.4251
68	G	A	-0.0407
69	A	A	0.3653
70	G	A	0.8097
71	I	A	2.3511
72	P	A	1.9288
73	V	A	2.8134
74	V	A	2.5245
75	P	A	0.7611
76	G	A	0.3142
77	A	A	0.7328
78	G	A	0.6845
79	I	A	1.5047
80	P	A	0.3885
81	G	A	0.1566
82	A	A	0.5461
83	A	A	0.6578
84	V	A	1.7114
85	P	A	1.1179
86	G	A	1.3018
87	V	A	2.4906
88	V	A	2.0696
89	S	A	0.4771
90	P	A	-0.6841
91	E	A	-2.0740
92	A	A	-1.0395
93	A	A	-0.8420
94	A	A	-1.6069
95	K	A	-2.4724
96	A	A	-1.4365
97	A	A	-1.3093
98	A	A	-1.4602
99	K	A	-2.0718
100	A	A	-0.8794
101	A	A	-1.0608
102	K	A	-1.8099
103	Y	A	-0.3457
104	G	A	-0.8675
105	A	A	-1.0771
106	R	A	-1.8427
107	P	A	-1.0976
108	G	A	0.0552
109	V	A	1.6014
110	G	A	0.9101
111	V	A	1.6944
112	G	A	0.3366
113	G	A	0.0273
114	I	A	0.5345
115	P	A	0.3774
116	T	A	0.8846
117	Y	A	1.7032
118	G	A	1.1857
119	V	A	2.3309
120	G	A	1.2191
121	A	A	0.3554
122	G	A	-0.3409
123	G	A	-0.0270
124	F	A	1.4192
125	P	A	0.5721
126	G	A	1.2352
127	F	A	2.3687
128	G	A	2.0534
129	V	A	2.4665
130	G	A	1.7735
131	V	A	2.1017
132	G	A	0.7010
133	G	A	0.6247
134	I	A	1.7154
135	P	A	0.6726
136	G	A	0.8503
137	V	A	1.8679
138	A	A	0.8382
139	G	A	0.6751
140	V	A	1.6816
141	P	A	0.5439
142	G	A	0.6553
143	V	A	1.3531
144	G	A	0.3131
145	G	A	0.5563
146	V	A	1.4723
147	P	A	0.8884
148	G	A	0.5776
149	V	A	1.5260
150	G	A	0.4450
151	G	A	0.5706
152	V	A	1.5767
153	P	A	0.7218
154	G	A	0.7446
155	V	A	1.7623
156	G	A	0.7505
157	I	A	0.6303
158	S	A	-0.4108
159	P	A	-1.3295
160	E	A	-2.1209
161	A	A	-1.0252
162	Q	A	-1.6997
163	A	A	-1.3847
164	A	A	-1.1734
165	A	A	-1.0821
166	A	A	-1.0625
167	A	A	-1.0793
168	K	A	-1.8981
169	A	A	-0.8527
170	A	A	-0.9427
171	K	A	-1.6543
172	Y	A	-0.1208
173	G	A	-0.6100
174	A	A	-0.2638
175	A	A	-0.2312
176	G	A	0.1333
177	A	A	0.1288
178	G	A	0.5494
179	V	A	2.0508
180	L	A	2.1287
181	G	A	0.9714
182	G	A	1.0593
183	L	A	2.1570
184	V	A	2.0944
185	P	A	0.7341
186	G	A	0.0719
187	A	A	-0.2496
188	P	A	-0.3614
189	G	A	-0.1879
190	A	A	0.4109
191	V	A	1.6158
192	P	A	0.7906
193	G	A	0.6349
194	V	A	1.4318
195	P	A	0.1482
196	G	A	-0.3605
197	T	A	-0.2668
198	G	A	-0.5037
199	G	A	-0.0222
200	V	A	1.1953
201	P	A	0.2148
202	G	A	-0.1911