Project name: Beta-secretase

Status: done

submitted: 2018-11-30 01:13:34, status changed: 2018-11-30 01:41:38
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Chain sequence(s) A: ETLEARINRATNPLNKELDWASINGFCEQLNEDFEGPPLATRLLAHKIQSPQEWEAIQALTVLETCMKSCGKRFHDEVGKFRFLNELIKVVSPKYLGSRTSEKVKNKILELLYSWTVGLPEEVKIAEAYQMLKKQGIVKSDP
C: ETLEARINRATNPLNKELDWASINGFCEQLNEDFEGPPLATRLLAHKIQSPQEWEAIQALTVLETCMKSCGKRFHDEVGKFRFLNELIKVVSPKYLGSRTSEKVKNKILELLYSWTVGLPEEVKIAEAYQMLKKQGIV
B: PETLEARINRATNPLNKELDWASINGFCEQLNEDFEGPPLATRLLAHKIQSPQEWEAIQALTVLETCMKSCGKRFHDEVGKFRFLNELIKVVSPKYLGSRTSEKVKNKILELLYSWTVGLPEEVKIAEAYQMLKKQGIV
E: DDILLK
D: ETLEARINRATNPLNKELDWASINGFCEQLNEDFEGPPLATRLLAHKIQSPQEWEAIQALTVLETCMKSCGKRFHDEVGKFRFLNELIKVVSPKYLGSRTSEKVKNKILELLYSWTVGLPEEVKIAEAYQMLKKQGIVKSDP
G: DILLK
F: DDILLK
H: DDILLK
Distance of aggregation 10 Å
Dynamic mode No
Show buried residues

Minimal score value
-3.7317
Maximal score value
1.5942
Average score
-0.8486
Total score value
-495.5686

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
residue index residue name chain Aggrescan3D score
mutation
8 E A -1.9932
9 T A -1.1443
10 L A -0.9761
11 E A -1.0848
12 A A -1.0268
13 R A -1.5136
14 I A 0.0000
15 N A 0.0000
16 R A -1.6708
17 A A 0.0000
18 T A 0.0000
19 N A -0.7105
20 P A -0.2275
21 L A 0.5180
22 N A -1.0736
23 K A -2.2111
24 E A -2.2591
25 L A -0.9264
26 D A -0.8133
27 W A 0.4988
28 A A 0.0503
29 S A -0.6273
30 I A 0.0000
31 N A -0.8986
32 G A 0.0000
33 F A 0.0000
34 C A 0.0000
35 E A -2.8025
36 Q A -2.5634
37 L A 0.0000
38 N A -2.8473
39 E A -3.1082
40 D A -2.3367
41 F A -0.3944
42 E A -1.6472
43 G A 0.0000
44 P A 0.0000
45 P A -0.9610
46 L A -0.4243
47 A A 0.0000
48 T A 0.0000
49 R A -1.0076
50 L A 0.0000
51 L A 0.0000
52 A A 0.0000
53 H A -0.4892
54 K A 0.0000
55 I A 0.0000
56 Q A -0.4405
57 S A 0.0000
58 P A -0.9401
59 Q A 0.0000
60 E A -1.1096
61 W A -0.2869
62 E A 0.0000
63 A A 0.0000
64 I A 0.0000
65 Q A 0.0000
66 A A 0.0000
67 L A 0.0000
68 T A 0.0000
69 V A 0.0000
70 L A 0.0000
71 E A -1.1278
72 T A -0.9367
73 C A 0.0000
74 M A 0.0000
75 K A -2.0643
76 S A -1.5411
77 C A -1.8736
78 G A -2.3539
79 K A -3.1512
80 R A -2.9660
81 F A 0.0000
82 H A -2.3068
83 D A -2.7768
84 E A -1.8532
85 V A 0.0000
86 G A 0.0000
87 K A -0.8905
88 F A -0.2175
89 R A -0.8840
90 F A 0.0000
91 L A 0.0000
92 N A 0.0000
93 E A -0.6949
94 L A 0.0000
95 I A 0.0000
96 K A -0.7522
97 V A 0.0000
98 V A 0.0000
99 S A 0.0000
100 P A -1.2744
101 K A -1.8893
102 Y A -0.8052
103 L A -0.7792
104 G A 0.0000
105 S A -1.5099
106 R A -2.0584
107 T A -1.8896
108 S A -2.4588
109 E A -3.4835
110 K A -3.3918
111 V A 0.0000
112 K A -2.5310
113 N A -3.2310
114 K A -2.6305
115 I A 0.0000
116 L A 0.0000
117 E A -2.6028
118 L A 0.0000
119 L A 0.0000
120 Y A -0.5664
121 S A -0.3328
122 W A 0.0000
123 T A 0.3106
124 V A 1.3147
125 G A -0.0334
126 L A -0.1904
127 P A -0.3582
128 E A -1.5098
129 E A -1.0570
130 V A 0.2318
131 K A -1.0119
132 I A 0.0000
133 A A -0.7645
134 E A -1.8303
135 A A 0.0000
136 Y A 0.0000
137 Q A -2.3306
138 M A 0.0000
139 L A 0.0000
140 K A -2.7929
141 K A -2.7809
142 Q A -1.9800
143 G A -1.5591
144 I A -1.1527
145 V A 0.0000
146 K A -2.5904
147 S A -1.9156
148 D A -2.4545
149 P A -1.9712
7 P B -1.2069
8 E B -2.1685
9 T B -1.2846
10 L B 0.0000
11 E B -0.9944
12 A B -0.9394
13 R B -1.5103
14 I B 0.0000
15 N B -0.7654
16 R B -1.2552
17 A B 0.0000
18 T B 0.0000
19 N B -0.6551
20 P B -0.2680
21 L B 0.5277
22 N B -1.1520
23 K B -2.2784
24 E B -2.3290
25 L B -0.8517
26 D B -0.8469
27 W B 0.2953
28 A B -0.0690
29 S B 0.0000
30 I B 0.0000
31 N B -1.4066
32 G B -1.4340
33 F B 0.0000
34 C B 0.0000
35 E B -3.0965
36 Q B -2.9409
37 L B 0.0000
38 N B -3.7317
39 E B -3.6537
40 D B -2.6332
41 F B -0.5434
42 E B -1.9216
43 G B 0.0000
44 P B 0.0000
45 P B -1.2734
46 L B -0.7583
47 A B 0.0000
48 T B 0.0000
49 R B -1.5820
50 L B 0.0000
51 L B 0.0000
52 A B 0.0000
53 H B 0.0000
54 K B 0.0000
55 I B 0.0000
56 Q B -0.4799
57 S B 0.0000
58 P B -0.9227
59 Q B -0.7343
60 E B -1.4835
61 W B -0.4155
62 E B 0.0000
63 A B 0.0000
64 I B 0.0000
65 Q B 0.0000
66 A B 0.0000
67 L B 0.0000
68 T B 0.0000
69 V B 0.0000
70 L B 0.0000
71 E B -1.4215
72 T B -1.0614
73 C B 0.0000
74 M B 0.0000
75 K B -2.0574
76 S B -1.7203
77 C B -1.9313
78 G B -2.3371
79 K B -3.2660
80 R B -3.6173
81 F B 0.0000
82 H B -2.3894
83 D B -2.4919
84 E B -1.9461
85 V B 0.0000
86 G B 0.0000
87 K B -0.8687
88 F B 0.0000
89 R B -1.0908
90 F B 0.0000
91 L B 0.0000
92 N B 0.0000
93 E B -0.6694
94 L B 0.0000
95 I B 0.0000
96 K B -0.5948
97 V B 0.0000
98 V B 0.0000
99 S B 0.0000
100 P B -1.1862
101 K B -1.7942
102 Y B -0.7222
103 L B -0.6807
104 G B 0.0000
105 S B -1.5332
106 R B -2.0693
107 T B -1.9507
108 S B -2.5082
109 E B -3.5301
110 K B -3.3413
111 V B 0.0000
112 K B -2.3753
113 N B -2.7468
114 K B -2.2025
115 I B 0.0000
116 L B -0.7172
117 E B -1.6957
118 L B 0.0000
119 L B 0.0000
120 Y B 0.9287
121 S B 0.3826
122 W B 0.0000
123 T B 0.5764
124 V B 1.5942
125 G B 0.1460
126 L B 0.1701
127 P B -0.0228
128 E B -1.1839
129 E B -0.8360
130 V B 0.4702
131 K B -0.6965
132 I B 0.0000
133 A B -0.2952
134 E B -1.2722
135 A B 0.0000
136 Y B 0.0000
137 Q B -2.2534
138 M B -1.9481
139 L B 0.0000
140 K B -1.9826
141 K B -2.7457
142 Q B -2.0675
143 G B -1.2108
144 I B -0.2170
145 V B 0.4477
8 E C -2.0673
9 T C -1.2708
10 L C 0.0000
11 E C -1.0749
12 A C -1.1318
13 R C -1.6694
14 I C 0.0000
15 N C -1.0685
16 R C -1.5844
17 A C 0.0000
18 T C 0.0000
19 N C -0.9245
20 P C -0.2944
21 L C 0.4575
22 N C -1.2743
23 K C -2.3398
24 E C -2.4094
25 L C -0.9803
26 D C -1.2410
27 W C 0.0917
28 A C -0.2055
29 S C -0.8217
30 I C 0.0000
31 N C -1.3446
32 G C -1.4385
33 F C 0.0000
34 C C 0.0000
35 E C -3.0574
36 Q C -2.9567
37 L C 0.0000
38 N C -3.5219
39 E C -3.7245
40 D C -2.7151
41 F C -0.7993
42 E C -2.0026
43 G C 0.0000
44 P C 0.0000
45 P C -1.0181
46 L C -0.5549
47 A C 0.0000
48 T C 0.0000
49 R C -1.6566
50 L C 0.0000
51 L C 0.0000
52 A C -0.8059
53 H C -0.5935
54 K C 0.0000
55 I C 0.0000
56 Q C -0.3844
57 S C 0.0000
58 P C -0.8789
59 Q C -0.5228
60 E C -1.0615
61 W C -0.2461
62 E C 0.0000
63 A C 0.0000
64 I C -0.1887
65 Q C 0.0000
66 A C 0.0000
67 L C 0.0000
68 T C 0.0000
69 V C 0.0000
70 L C 0.0000
71 E C -1.4303
72 T C -1.0378
73 C C 0.0000
74 M C 0.0000
75 K C -2.0536
76 S C -1.7087
77 C C -1.9143
78 G C -2.3140
79 K C -3.1195
80 R C -3.4111
81 F C 0.0000
82 H C 0.0000
83 D C -2.7474
84 E C -2.5312
85 V C 0.0000
86 G C 0.0000
87 K C -1.5246
88 F C 0.0000
89 R C -2.0897
90 F C 0.0000
91 L C 0.0000
92 N C 0.0000
93 E C -0.8439
94 L C 0.0000
95 I C 0.0000
96 K C -0.7230
97 V C 0.0000
98 V C 0.0000
99 S C 0.0000
100 P C -1.1658
101 K C -1.8263
102 Y C -0.8838
103 L C -0.6547
104 G C 0.0000
105 S C -1.5054
106 R C -2.0791
107 T C -1.8297
108 S C -2.2409
109 E C -3.3788
110 K C -3.0706
111 V C 0.0000
112 K C -2.0567
113 N C -2.6533
114 K C -2.1241
115 I C 0.0000
116 L C -0.7374
117 E C -1.7164
118 L C 0.0000
119 L C 0.0000
120 Y C 0.9016
121 S C 0.3618
122 W C 0.0000
123 T C 0.6459
124 V C 1.3362
125 G C 0.1217
126 L C 0.0948
127 P C -0.4750
128 E C -1.3976
129 E C -0.9964
130 V C 0.2695
131 K C -1.0418
132 I C 0.0000
133 A C -0.4975
134 E C -1.7632
135 A C 0.0000
136 Y C 0.0000
137 Q C -2.2662
138 M C 0.0000
139 L C 0.0000
140 K C -2.0495
141 K C -2.5731
142 Q C -1.8621
143 G C -1.0351
144 I C -0.0988
145 V C 0.6520
8 E D -2.0553
9 T D -1.2420
10 L D 0.0000
11 E D -1.0768
12 A D -0.9795
13 R D -1.5426
14 I D 0.0000
15 N D -0.9234
16 R D -1.4470
17 A D 0.0000
18 T D 0.0000
19 N D -0.9889
20 P D -0.6090
21 L D -0.1058
22 N D -1.4305
23 K D -2.4268
24 E D -2.4359
25 L D -0.9692
26 D D -0.8746
27 W D 0.3007
28 A D -0.0019
29 S D 0.0000
30 I D 0.0000
31 N D -1.0770
32 G D -1.2631
33 F D 0.0000
34 C D 0.0000
35 E D -2.5384
36 Q D -2.5392
37 L D 0.0000
38 N D -2.3204
39 E D -2.9024
40 D D -2.1829
41 F D -0.1679
42 E D -1.0876
43 G D 0.0000
44 P D 0.0000
45 P D -1.0752
46 L D -0.6389
47 A D 0.0000
48 T D 0.0000
49 R D -1.5192
50 L D 0.0000
51 L D 0.0000
52 A D 0.0000
53 H D 0.0000
54 K D 0.0000
55 I D 0.0000
56 Q D -0.5307
57 S D 0.0000
58 P D -1.0263
59 Q D -0.8207
60 E D -1.4041
61 W D -0.2596
62 E D 0.0000
63 A D 0.0000
64 I D 0.0000
65 Q D 0.0000
66 A D 0.0000
67 L D 0.0000
68 T D 0.0000
69 V D 0.0000
70 L D 0.0000
71 E D -1.2057
72 T D -0.9061
73 C D 0.0000
74 M D 0.0000
75 K D -2.0212
76 S D -1.5055
77 C D -1.7470
78 G D -2.1787
79 K D -3.0812
80 R D -2.9070
81 F D 0.0000
82 H D -2.5357
83 D D -2.8924
84 E D -2.1788
85 V D 0.0000
86 G D 0.0000
87 K D -1.2330
88 F D 0.0000
89 R D -1.5310
90 F D 0.0000
91 L D 0.0000
92 N D 0.0000
93 E D -0.8919
94 L D 0.0000
95 I D 0.0000
96 K D -0.7037
97 V D 0.0000
98 V D 0.0000
99 S D 0.0000
100 P D -1.2604
101 K D -1.8986
102 Y D -0.8775
103 L D -0.8306
104 G D 0.0000
105 S D -1.5326
106 R D -2.0714
107 T D -1.9415
108 S D -2.4716
109 E D -3.5526
110 K D -3.3611
111 V D 0.0000
112 K D -2.3955
113 N D -3.0335
114 K D -2.3627
115 I D 0.0000
116 L D -1.3971
117 E D -2.3315
118 L D 0.0000
119 L D 0.0000
120 Y D -0.3204
121 S D -0.2161
122 W D 0.0000
123 T D 0.3524
124 V D 1.3019
125 G D -0.0597
126 L D -0.2285
127 P D -0.3444
128 E D -1.5659
129 E D -1.1082
130 V D 0.3166
131 K D -0.9199
132 I D 0.0000
133 A D -0.5864
134 E D -1.6809
135 A D 0.0000
136 Y D 0.0000
137 Q D -2.1705
138 M D 0.0000
139 L D 0.0000
140 K D -2.7486
141 K D -2.7802
142 Q D -2.0179
143 G D -1.9627
144 I D -1.2631
145 V D 0.0000
146 K D -2.5846
147 S D -1.7739
148 D D -2.0477
149 P D -1.6624
2 D E -1.7392
3 D E -0.5643
4 I E 1.3232
6 L E 0.2799
7 L E -0.1797
8 K E -1.6877
2 D F -1.7999
3 D F -0.7716
4 I F 1.1245
6 L F 0.0033
7 L F -0.3490
8 K F -1.6479
3 D G -1.4327
4 I G 0.6663
6 L G -0.2884
7 L G -0.4179
8 K G -1.7847
2 D H -1.8052
3 D H -0.9116
4 I H 0.9939
6 L H -0.2245
7 L H -0.3184
8 K H -1.6450

 

Laboratory of Theory of Biopolymers 2015