Secondary structure calculation program - copyright by David Keith Smith, 1989
1jfrA.pdb
1JFR SERINE HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 260
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 3 ASN N t > T 0 0 999.9 112.1 -177.9 999.9 999.9 999.9 0 0.0 4 -1.5 0 0.0 0 0.0 5 24
2 A 4 PRO P T T 3 T + 0 0 -67.7 -15.8 -177.2 61.2 999.9 49.7 0 0.0 0 0.0 0 0.0 0 0.0 3 25
3 A 5 TYR Y T T 3 TS+ 0 0 -93.1 -3.9 177.3 119.6 72.0 60.7 0 0.0 0 0.0 0 0.0 0 0.0 8 38
4 A 6 GLU E t < T - 0 0 -62.8 131.4 178.5 -174.7 42.3 114.4 1 -1.5 0 0.0 0 0.0 0 0.0 8 36
5 A 7 ARG R + 0 0 -130.0 139.9 173.6 3.9 39.3 170.4 0 0.0 0 0.0 0 0.0 0 0.0 6 51
6 A 8 GLY G S S S- 0 0 81.2 169.8 -176.4 -46.1 92.2 89.2 0 0.0 0 0.0 0 0.0 0 0.0 8 46
7 A 9 PRO P S S S- 0 0 -73.3 165.8 177.4 -69.0 76.1 98.4 0 0.0 0 0.0 0 0.0 0 0.0 4 31
8 A 10 ALA A - 0 0 -54.4 135.7 -176.1 -119.8 64.1 107.3 0 0.0 0 0.0 0 0.0 0 0.0 5 31
9 A 11 PRO P - 0 0 -82.7 156.4 172.1 -174.0 29.1 119.0 0 0.0 0 0.0 0 0.0 0 0.0 9 36
10 A 12 THR T h > T - 0 0 -133.2 170.0 176.1 -98.9 45.4 152.3 0 0.0 14 -1.6 0 0.0 0 0.0 6 30
11 A 13 ASN N H H > TS+ 0 0 -59.4 -34.8 177.4 53.5 125.5 29.9 0 0.0 15 -0.9 0 0.0 0 0.0 7 33
12 A 14 ALA A H H > TS+ 0 0 -65.6 -39.8 -178.2 53.6 104.1 29.7 0 0.0 16 -1.0 0 0.0 0 0.0 7 26
13 A 15 SER S H H 4 TS+ 0 0 -69.1 -28.9 178.5 46.4 110.3 32.3 0 0.0 0 0.0 0 0.0 0 0.0 8 35
14 A 16 ILE I H H < TS+ 0 0 -86.2 -14.4 176.6 49.3 113.7 51.7 10 -1.6 0 0.0 0 0.0 0 0.0 12 47
15 A 17 GLU E H H < TS+ 0 0 -92.9 -16.5 -177.7 110.3 87.5 54.2 11 -0.9 0 0.0 0 0.0 0 0.0 10 37
16 A 18 ALA A h < T - 0 0 -59.6 147.7 179.8 -136.2 69.4 106.4 12 -1.0 0 0.0 0 0.0 0 0.0 7 37
17 A 19 SER S S S S+ 0 0 -75.7 -23.7 -177.4 36.9 95.6 40.6 0 0.0 0 0.0 0 0.0 0 0.0 5 36
18 A 20 ARG R S S S- 0 0 -132.2 117.7 179.3 -152.8 80.0 171.4 0 0.0 0 0.0 0 0.0 0 0.0 9 39
19 A 21 GLY G - 0 0 -75.1 -167.4 -175.8 -79.0 41.6 90.7 0 0.0 0 0.0 0 0.0 0 0.0 13 46
20 A 22 PRO P S S S+ 0 0 -70.2 -27.7 -177.1 83.9 103.0 45.9 0 0.0 0 0.0 0 0.0 0 0.0 8 39
21 A 23 TYR Y S S S- 0 0 -85.2 126.6 167.0 -134.7 74.2 136.5 77 -2.9 0 0.0 0 0.0 0 0.0 13 42
22 A 24 ALA A e - 0 0 -63.4 145.6 -175.4 -147.2 35.0 124.2 0 0.0 45 -2.5 0 0.0 0 0.0 9 33
23 A 25 THR T E E AA - 44 0 -124.8 160.5 176.1 -166.7 20.6 145.3 0 0.0 0 0.0 0 0.0 0 0.0 11 40
24 A 26 SER S E E AA - 43 0 -128.4 172.9 175.4 -147.7 12.9 139.2 43 -3.1 43 -2.2 0 0.0 0 0.0 8 37
25 A 27 GLN Q E E AA - 42 0 -148.2 153.5 176.4 -172.6 10.8 172.9 0 0.0 0 0.0 0 0.0 0 0.0 8 41
26 A 28 THR T E E AA - 41 0 -136.9 152.1 175.0 -128.6 21.3 169.3 41 -1.8 41 -3.1 0 0.0 0 0.0 7 35
27 A 29 SER S E E AA - 40 0 -100.9 148.5 175.5 -155.1 8.5 126.6 0 0.0 29 -0.5 0 0.0 0 0.0 8 38
28 A 30 VAL V E E AA - 39 0 -120.3 112.7 -175.9 -138.4 21.2 169.3 39 -3.3 39 -2.3 0 0.0 0 0.0 10 43
29 A 31 SER S t > > T - 0 0 -71.8 156.6 176.5 -121.5 16.4 112.4 27 -0.5 33 -1.8 0 0.0 32 -0.7 9 30
30 A 32 SER S T T 4 3 TS+ 0 0 -66.5 -19.7 176.8 64.2 111.3 43.1 0 0.0 0 0.0 0 0.0 0 0.0 10 31
31 A 33 LEU L T T 4 3 TS+ 0 0 -68.0 -39.4 -177.0 36.4 110.0 31.0 0 0.0 0 0.0 0 0.0 0 0.0 5 22
32 A 34 VAL V T T 4 < TS+ 0 0 -84.2 -30.2 -176.8 96.6 96.1 42.2 29 -0.7 0 0.0 0 0.0 0 0.0 7 29
33 A 35 ALA A t < T - 0 0 -68.1 124.0 178.0 -146.5 65.2 119.3 29 -1.8 35 -0.7 0 0.0 0 0.0 12 38
34 A 36 SER S S S S- 0 0 -96.8 116.0 175.3 -3.6 77.5 144.7 0 0.0 0 0.0 0 0.0 0 0.0 9 32
35 A 37 GLY G S S S+ 0 0 89.4 7.4 176.8 58.7 123.5 58.6 33 -0.7 0 0.0 0 0.0 0 0.0 8 38
36 A 38 PHE F S S S- 0 0 -155.7 175.9 -171.8 -98.2 90.4 155.6 0 0.0 0 0.0 0 0.0 0 0.0 14 52
37 A 39 GLY G - 0 0 -92.5 21.3 -179.0 -102.1 63.5 78.7 86 -2.1 0 0.0 0 0.0 0 0.0 13 49
38 A 40 GLY G e - 0 0 89.5 -175.4 179.1 -177.9 46.4 115.7 0 0.0 86 -2.5 0 0.0 0 0.0 14 49
39 A 41 GLY G E E AAB - 28 85 168.4 -167.8 -177.8 -75.4 27.1 173.7 28 -2.3 28 -3.3 0 0.0 0 0.0 13 59
40 A 42 THR T E E AAB - 27 84 -126.3 133.7 179.9 -149.2 29.5 171.8 84 -2.4 84 -2.2 0 0.0 42 -0.5 11 55
41 A 43 ILE I E E AAB - 26 83 -105.7 126.4 175.8 -167.2 9.3 155.9 26 -3.1 26 -1.8 0 0.0 0 0.0 13 63
42 A 44 TYR Y E E AAB + 25 82 -108.3 131.7 -174.8 163.3 19.8 156.9 82 -3.3 82 -2.9 40 -0.5 0 0.0 14 57
43 A 45 TYR Y E E AA - 24 0 -149.9 152.8 174.5 -93.0 43.7 172.2 24 -2.2 24 -3.1 0 0.0 0 0.0 14 56
44 A 46 PRO P E E AA - 23 0 -60.0 135.2 177.8 -142.2 30.7 118.0 0 0.0 0 0.0 0 0.0 0 0.0 14 46
45 A 47 THR T S e S+ 0 0 -66.3 -40.6 -174.6 84.0 77.1 27.0 22 -2.5 0 0.0 0 0.0 0 0.0 8 38
46 A 48 SER S + 0 0 -70.2 135.1 171.5 179.5 46.9 117.6 0 0.0 0 0.0 0 0.0 0 0.0 7 29
47 A 49 THR T t > T + 0 0 -106.6 5.6 -172.0 95.3 62.5 70.1 0 0.0 50 -1.2 0 0.0 0 0.0 8 32
48 A 50 ALA A T T 3 TS+ 0 0 -75.4 -20.3 -180.0 51.3 80.5 47.3 0 0.0 0 0.0 0 0.0 0 0.0 4 23
49 A 51 ASP D T T 3 TS- 0 0 -93.4 -0.8 178.8 -109.3 114.0 63.3 0 0.0 0 0.0 0 0.0 0 0.0 6 31
50 A 52 GLY G t < T - 0 0 105.9 -171.0 -176.9 -30.0 54.3 126.0 47 -1.2 0 0.0 0 0.0 0 0.0 6 32
51 A 53 THR T - 0 0 -81.8 169.1 -177.0 -140.5 56.6 110.4 0 0.0 0 0.0 0 0.0 0 0.0 9 44
52 A 54 PHE F E E Ac - 118 0 -127.7 156.9 171.0 -106.1 17.1 147.5 117 -2.4 119 -3.0 0 0.0 0 0.0 11 59
53 A 55 GLY G E E A* - 0 0 -72.6 169.0 -174.6 -133.6 39.7 112.1 0 0.0 81 -2.4 0 0.0 0 0.0 15 64
54 A 56 ALA A E E Acd - 123 81 -134.9 144.8 -179.2 -165.6 16.5 157.4 122 -1.8 124 -2.3 0 0.0 0 0.0 14 74
55 A 57 VAL V E E Acd - 124 82 -128.6 135.0 174.7 -155.9 7.1 175.6 81 -2.4 83 -2.5 0 0.0 0 0.0 12 88
56 A 58 VAL V E E Acd - 125 83 -110.9 144.1 -176.0 -158.7 12.0 155.0 124 -1.7 126 -2.2 0 0.0 0 0.0 14 87
57 A 59 ILE I E E Acd - 126 84 -128.1 131.5 -179.4 -160.6 2.9 171.2 83 -2.7 85 -2.6 0 0.0 0 0.0 14 85
58 A 60 SER S E E Ac - 127 0 -112.3 138.7 172.7 -138.0 11.6 152.9 126 -1.6 128 -2.2 0 0.0 0 0.0 19 75
59 A 61 PRO P - 0 0 -76.2 178.3 179.4 -106.5 29.1 103.8 0 0.0 0 0.0 0 0.0 0 0.0 18 68
60 A 62 GLY G t > T - 0 0 -101.5 -170.7 -176.5 -40.4 54.8 96.3 0 0.0 63 -2.2 0 0.0 0 0.0 13 59
61 A 63 PHE F T T 3 TS- 0 0 -55.5 129.7 -178.8 -0.2 127.1 107.1 0 0.0 0 0.0 0 0.0 0 0.0 11 49
62 A 64 THR T T T 3 TS+ 0 0 63.4 17.2 -177.1 119.8 110.9 60.4 90 -2.9 0 0.0 0 0.0 0 0.0 6 34
63 A 65 ALA A t < T - 0 0 -113.9 160.2 -179.9 -158.6 45.7 130.5 60 -2.2 0 0.0 0 0.0 0 0.0 9 42
64 A 66 TYR Y g > T - 0 0 -118.7 -175.3 177.2 -77.5 46.2 127.7 0 0.0 67 -1.7 0 0.0 0 0.0 12 45
65 A 67 GLN Q G G > > TS+ 0 0 -56.9 -32.1 -177.1 74.1 118.3 41.7 0 0.0 68 -2.0 0 0.0 69 -1.0 12 54
66 A 68 SER S G G 4 3 TS+ 0 0 -57.1 -27.8 178.1 60.8 89.2 35.9 0 0.0 0 0.0 0 0.0 0 0.0 6 38
67 A 69 SER S G G 4 < TS+ 0 0 -72.2 -17.0 -177.3 25.0 119.0 50.5 64 -1.7 0 0.0 0 0.0 0 0.0 10 41
68 A 70 ILE I T g 4 X TS+ 0 0 -128.5 7.9 -173.3 107.5 88.6 72.8 65 -2.0 71 -1.2 0 0.0 0 0.0 16 56
69 A 71 ALA A T G < > T + 0 0 -62.4 -33.1 -177.0 68.6 67.4 41.7 65 -1.0 72 -1.3 0 0.0 0 0.0 9 51
70 A 72 TRP W T h > 3 TS+ 0 0 -59.7 -28.4 174.3 60.4 93.4 35.6 0 0.0 74 -1.1 0 0.0 0 0.0 10 53
71 A 73 LEU L H H > < TS+ 0 0 -66.4 -22.4 -177.0 73.9 90.6 39.1 68 -1.2 75 -2.4 0 0.0 0 0.0 9 66
72 A 74 GLY G H H > < TS+ 0 0 -57.6 -67.9 -177.9 25.1 107.1 13.2 69 -1.3 76 -2.5 0 0.0 0 0.0 13 63
73 A 75 PRO P H H > TS+ 0 0 -65.6 -37.9 -175.8 60.0 120.1 33.8 0 0.0 77 -2.0 0 0.0 0 0.0 12 52
74 A 76 ARG R H H < TS+ 0 0 -61.4 -45.1 176.8 30.5 116.3 22.6 70 -1.1 0 0.0 0 0.0 0 0.0 12 56
75 A 77 LEU L H H < > TS+ 0 0 -80.8 -42.5 -178.3 57.6 116.2 31.0 71 -2.4 78 -1.5 0 0.0 0 0.0 13 69
76 A 78 ALA A H H X > TS+ 0 0 -59.3 -36.0 -179.0 60.9 98.4 26.0 72 -2.5 79 -2.3 0 0.0 80 -1.2 15 64
77 A 79 SER S T h < 3 TS+ 0 0 -70.4 -3.2 173.6 61.7 96.7 52.2 73 -2.0 21 -2.9 0 0.0 0 0.0 15 51
78 A 80 GLN Q T T 4 < TS- 0 0 -96.2 0.3 176.1 -81.5 134.8 60.7 75 -1.5 0 0.0 0 0.0 0 0.0 12 64
79 A 81 GLY G T T 4 < TS+ 0 0 102.3 48.7 177.1 118.5 89.5 33.9 76 -2.3 0 0.0 0 0.0 0 0.0 14 69
80 A 82 PHE F t < T - 0 0 -138.8 149.1 169.6 -127.9 60.8 170.3 76 -1.2 82 -0.6 0 0.0 0 0.0 13 75
81 A 83 VAL V E E A d - 0 54 -93.4 122.2 -170.1 -167.4 38.0 154.3 53 -2.4 55 -2.4 0 0.0 0 0.0 15 73
82 A 84 VAL V E E ABd - 42 55 -122.9 128.6 -174.7 -166.5 13.5 165.0 42 -2.9 42 -3.3 80 -0.6 84 -0.6 14 76
83 A 85 PHE F E E ABd - 41 56 -120.3 106.9 174.6 -165.7 2.3 160.3 55 -2.5 57 -2.7 0 0.0 85 -0.6 14 75
84 A 86 THR T E E ABd - 40 57 -87.6 125.1 -173.4 -163.5 23.3 149.8 40 -2.2 40 -2.4 82 -0.6 0 0.0 14 71
85 A 87 ILE I E E AB - 39 0 -114.8 158.1 164.8 -140.0 23.0 133.7 57 -2.6 0 0.0 83 -0.6 0 0.0 16 71
86 A 88 ASP D e - 0 0 -99.7 147.7 177.7 -126.3 32.1 149.5 38 -2.5 37 -2.1 0 0.0 0 0.0 12 62
87 A 89 THR T - 0 0 -89.0 171.2 -177.0 -99.6 27.0 116.2 0 0.0 0 0.0 0 0.0 0 0.0 14 59
88 A 90 ASN N S S S- 0 0 -56.8 -50.0 171.9 -1.2 108.2 25.0 0 0.0 0 0.0 0 0.0 0 0.0 8 43
89 A 91 THR T S t > TS- 0 0 -130.5 158.6 177.5 -120.5 73.5 166.0 0 0.0 92 -1.4 0 0.0 0 0.0 6 35
90 A 92 THR T T T 3 TS+ 0 0 -77.3 -4.0 179.8 60.9 110.5 55.2 0 0.0 62 -2.9 0 0.0 0 0.0 10 37
91 A 93 LEU L T T 3 TS+ 0 0 -101.8 6.4 -177.1 132.4 73.4 69.4 0 0.0 0 0.0 0 0.0 0 0.0 6 30
92 A 94 ASP D t < T - 0 0 -61.2 143.9 -179.6 -125.5 53.8 106.1 89 -1.4 0 0.0 0 0.0 0 0.0 10 39
93 A 95 GLN Q h > T - 0 0 -85.0 172.9 -178.3 -93.7 28.5 109.1 0 0.0 97 -2.6 0 0.0 0 0.0 9 39
94 A 96 PRO P H H > TS+ 0 0 -56.2 -41.9 -179.4 52.3 122.3 28.1 0 0.0 98 -2.6 0 0.0 0 0.0 14 55
95 A 97 ASP D H H > TS+ 0 0 -65.4 -39.6 175.6 46.1 112.4 21.0 0 0.0 99 -1.8 0 0.0 0 0.0 10 48
96 A 98 SER S H H > TS+ 0 0 -65.2 -40.7 177.8 53.9 110.3 19.8 0 0.0 100 -2.4 0 0.0 0 0.0 9 47
97 A 99 ARG R H H X TS+ 0 0 -62.3 -38.4 175.4 54.3 105.5 25.9 93 -2.6 101 -2.3 0 0.0 0 0.0 15 62
98 A 100 GLY G H H X TS+ 0 0 -61.6 -39.6 177.6 48.1 108.5 23.9 94 -2.6 102 -1.7 0 0.0 0 0.0 15 63
99 A 101 ARG R H H X TS+ 0 0 -67.7 -35.5 178.4 52.4 110.5 25.7 95 -1.8 103 -2.4 0 0.0 0 0.0 11 49
100 A 102 GLN Q H H X TS+ 0 0 -69.4 -35.5 174.0 55.5 104.4 30.8 96 -2.4 104 -2.2 0 0.0 0 0.0 11 60
101 A 103 LEU L H H X TS+ 0 0 -58.3 -46.8 178.4 45.5 110.8 24.0 97 -2.3 105 -2.0 0 0.0 0 0.0 16 68
102 A 104 LEU L H H X TS+ 0 0 -64.9 -39.2 175.5 51.6 111.4 24.7 98 -1.7 106 -2.3 0 0.0 0 0.0 9 62
103 A 105 SER S H H X TS+ 0 0 -62.7 -37.9 177.2 51.6 109.1 32.8 99 -2.4 107 -2.4 0 0.0 0 0.0 11 51
104 A 106 ALA A H H X TS+ 0 0 -65.9 -39.1 174.5 49.4 109.1 26.5 100 -2.2 108 -2.9 0 0.0 0 0.0 15 64
105 A 107 LEU L H H X TS+ 0 0 -62.6 -44.0 176.2 51.3 110.7 25.8 101 -2.0 109 -2.4 0 0.0 0 0.0 10 68
106 A 108 ASP D H H X TS+ 0 0 -55.1 -49.6 177.4 45.8 112.4 19.6 102 -2.3 110 -2.1 0 0.0 0 0.0 9 51
107 A 109 TYR Y H H X >TS+ 0 0 -57.2 -53.9 -179.2 49.5 113.6 17.9 103 -2.4 111 -2.3 0 0.0 112 -1.9 11 49
108 A 110 LEU L H H < 5TS+ 0 0 -52.7 -48.8 -173.8 35.9 119.0 25.7 104 -2.9 0 0.0 0 0.0 0 0.0 11 57
109 A 111 THR T H H < 5TS+ 0 0 -82.3 -25.1 -174.7 30.2 128.9 41.1 105 -2.4 0 0.0 0 0.0 0 0.0 13 41
110 A 112 GLN Q H H < 5TS+ 0 0 -105.8 -32.1 -171.5 13.1 133.2 40.9 106 -2.1 0 0.0 0 0.0 0 0.0 7 30
111 A 113 ARG R T h < 5TS+ 0 0 -125.1 -19.6 -172.9 103.3 90.2 52.7 107 -2.3 0 0.0 0 0.0 0 0.0 8 32
112 A 114 SER S S t > TS+ 0 0 -113.3 19.5 -179.8 113.0 73.3 71.1 0 0.0 117 -2.5 0 0.0 0 0.0 8 44
115 A 117 ARG R G G X TS+ 0 0 -62.6 -26.3 176.6 59.2 72.4 38.3 112 -1.4 118 -1.0 0 0.0 0 0.0 10 41
116 A 118 THR T G G 3 TS+ 0 0 -79.2 -6.8 175.9 56.1 100.7 57.4 0 0.0 0 0.0 0 0.0 0 0.0 8 33
117 A 119 ARG R G e < TS+ 0 0 -90.7 -11.4 -172.6 82.1 97.7 64.5 114 -2.5 52 -2.4 0 0.0 0 0.0 10 45
118 A 120 VAL V E E Ac < TS- 52 0 -104.0 138.4 170.9 -142.3 70.4 149.8 115 -1.0 120 -0.9 0 0.0 0 0.0 12 46
119 A 121 ASP D E E A* > T - 0 0 -90.2 108.5 -173.3 -158.5 17.4 145.9 52 -3.0 122 -1.9 0 0.0 0 0.0 12 45
120 A 122 ALA A E E A* 3 TS+ 0 0 -72.0 -6.9 177.0 63.9 84.8 57.7 118 -0.9 0 0.0 0 0.0 0 0.0 8 42
121 A 123 THR T E E A* 3 TS+ 0 0 -86.6 -7.6 -173.7 61.1 96.3 62.5 0 0.0 123 -0.5 0 0.0 0 0.0 5 38
122 A 124 ARG R E E A* < TS+ 0 0 -127.3 85.8 -169.7 148.0 71.8 148.8 119 -1.9 54 -1.8 0 0.0 0 0.0 11 53
123 A 125 LEU L E E Ac - 54 0 -123.9 151.6 175.3 -175.1 20.7 157.8 121 -0.5 146 -2.7 0 0.0 147 -0.8 14 62
124 A 126 GLY G E E Ace - 55 147 -141.2 168.1 179.3 -142.5 12.1 159.7 54 -2.3 56 -1.7 0 0.0 0 0.0 14 76
125 A 127 VAL V E E Ace + 56 148 -131.8 149.6 176.7 169.9 17.7 164.0 147 -2.0 149 -2.1 0 0.0 0 0.0 15 81
126 A 128 MET M E E Ace + 57 149 -146.2 161.0 172.8 165.7 5.2 160.7 56 -2.2 58 -1.6 0 0.0 0 0.0 15 85
127 A 129 GLY G E E Ace - 58 150 -170.6 164.6 176.1 -117.2 30.8 153.3 149 -1.4 151 -3.0 0 0.0 0 0.0 18 82
128 A 130 HIS H E E A e> TS- 0 151 -108.6 133.3 171.9 -36.3 74.8 144.9 58 -2.2 131 -2.2 0 0.0 0 0.0 16 78
129 A 131 SER S T h > 3 TS+ 0 0 61.2 -123.3 176.2 7.4 140.2 107.5 151 -2.4 133 -2.1 0 0.0 154 -1.8 16 68
130 A 132 MET M H H > 3 TS+ 0 0 -59.0 -30.6 174.4 57.9 133.2 33.4 0 0.0 134 -2.0 0 0.0 0 0.0 16 68
131 A 133 GLY G H H > < TS+ 0 0 -62.1 -36.2 176.9 51.8 104.3 36.7 128 -2.2 135 -1.3 0 0.0 0 0.0 20 74
132 A 134 GLY G H H > TS+ 0 0 -68.1 -40.5 171.8 49.6 107.9 23.7 0 0.0 136 -1.3 0 0.0 0 0.0 20 81
133 A 135 GLY G H H X TS+ 0 0 -64.4 -31.8 176.2 54.9 109.3 29.2 129 -2.1 137 -1.7 0 0.0 0 0.0 17 68
134 A 136 GLY G H H X TS+ 0 0 -68.7 -30.2 -179.0 60.1 99.2 32.3 130 -2.0 138 -2.4 0 0.0 0 0.0 19 72
135 A 137 SER S H H X TS+ 0 0 -68.3 -30.8 175.9 47.9 105.7 27.5 131 -1.3 139 -2.0 0 0.0 0 0.0 18 76
136 A 138 LEU L H H X TS+ 0 0 -71.9 -41.2 177.0 51.5 110.4 22.7 132 -1.3 140 -1.7 0 0.0 0 0.0 12 74
137 A 139 GLU E H H X TS+ 0 0 -60.6 -40.8 177.7 50.5 109.8 28.1 133 -1.7 141 -1.7 0 0.0 0 0.0 12 61
138 A 140 ALA A H H X TS+ 0 0 -63.6 -42.7 177.8 50.1 109.0 24.8 134 -2.4 142 -1.7 0 0.0 0 0.0 14 58
139 A 141 ALA A H H < TS+ 0 0 -68.6 -23.5 175.0 56.0 107.4 38.0 135 -2.0 0 0.0 0 0.0 0 0.0 15 64
140 A 142 LYS K H H < TS+ 0 0 -71.9 -39.4 179.8 39.7 113.4 23.8 136 -1.7 0 0.0 0 0.0 0 0.0 10 47
141 A 143 SER S H H < TS+ 0 0 -77.8 -32.3 -175.9 36.0 125.2 48.0 137 -1.7 0 0.0 0 0.0 0 0.0 6 36
142 A 144 ARG R h < > T + 0 0 -127.3 86.9 -174.9 177.3 63.2 139.2 138 -1.7 145 -1.6 0 0.0 0 0.0 7 42
143 A 145 THR T T T 3 TS+ 0 0 -75.5 -0.6 172.7 74.7 72.7 49.8 0 0.0 0 0.0 0 0.0 0 0.0 9 38
144 A 146 SER S T T 3 T + 0 0 -83.1 -3.2 175.9 119.6 66.5 57.0 0 0.0 0 0.0 0 0.0 0 0.0 7 39
145 A 147 LEU L t < T - 0 0 -59.7 139.5 -176.9 -148.7 58.3 112.1 142 -1.6 0 0.0 0 0.0 0 0.0 12 57
146 A 148 LYS K S S S+ 0 0 -86.8 -24.0 178.8 13.8 70.9 46.3 123 -2.7 0 0.0 0 0.0 0 0.0 11 55
147 A 149 ALA A E E Ae - 124 0 -153.9 145.5 176.4 -169.8 53.4 172.8 123 -0.8 125 -2.0 0 0.0 0 0.0 14 68
148 A 150 ALA A E E Aea - 125 167 -134.1 131.2 -179.4 -179.2 6.2 172.7 166 -1.7 168 -2.1 0 0.0 0 0.0 15 77
149 A 151 ILE I E E Ae - 126 0 -136.2 92.6 170.2 -168.9 5.8 136.2 125 -2.1 127 -1.4 0 0.0 0 0.0 14 82
150 A 152 PRO P E E Ae - 127 0 -75.9 125.9 179.3 -150.9 12.5 127.1 0 0.0 170 -2.3 0 0.0 152 -0.6 17 81
151 A 153 LEU L E E Aeb S- 128 170 -102.3 112.2 -174.4 -25.9 77.8 159.1 127 -3.0 129 -2.4 0 0.0 0 0.0 13 82
152 A 154 THR T S S S- 0 0 41.6 58.9 -171.3 -153.7 97.2 23.5 170 -2.8 0 0.0 150 -0.6 0 0.0 17 69
153 A 155 GLY G - 0 0 -68.5 146.8 180.0 -159.9 18.6 103.7 0 0.0 0 0.0 0 0.0 0 0.0 18 74
154 A 156 TRP W + 0 0 -129.7 129.6 177.0 141.8 25.3 174.9 129 -1.8 0 0.0 0 0.0 0 0.0 13 60
155 A 157 ASN N - 0 0 -166.9 137.8 176.4 -143.3 45.4 151.6 0 0.0 0 0.0 0 0.0 0 0.0 10 54
156 A 158 THR T S S S+ 0 0 -74.1 -25.4 174.8 79.7 91.1 39.7 0 0.0 158 -0.7 0 0.0 0 0.0 5 37
157 A 159 ASP D + 0 0 -82.7 116.4 -172.0 177.6 61.1 140.4 0 0.0 0 0.0 0 0.0 0 0.0 4 42
158 A 160 LYS K + 0 0 -97.6 -19.4 -171.9 73.1 49.9 52.4 156 -0.7 0 0.0 0 0.0 0 0.0 10 39
159 A 161 THR T + 0 0 -114.0 128.0 -174.6 173.3 43.9 149.8 0 0.0 0 0.0 0 0.0 0 0.0 8 36
160 A 162 TRP W t > T + 0 0 -129.3 62.7 -179.1 143.9 21.4 110.6 0 0.0 163 -1.2 0 0.0 0 0.0 11 50
161 A 163 PRO P T T 3 T + 0 0 -78.5 -9.6 -180.0 68.2 68.1 49.5 0 0.0 0 0.0 0 0.0 0 0.0 7 31
162 A 164 GLU E T T 3 TS+ 0 0 -80.5 -16.6 -169.6 115.6 73.3 58.6 0 0.0 0 0.0 0 0.0 0 0.0 7 33
163 A 165 LEU L t < T + 0 0 -69.5 140.1 176.1 169.5 30.1 116.8 160 -1.2 0 0.0 0 0.0 0 0.0 10 45
164 A 166 ARG R + 0 0 -121.4 2.8 -177.7 102.6 52.2 79.9 0 0.0 0 0.0 0 0.0 0 0.0 8 44
165 A 167 THR T S S S- 0 0 -94.0 124.3 175.8 -111.6 82.6 149.2 0 0.0 0 0.0 0 0.0 0 0.0 13 55
166 A 168 PRO P - 0 0 -54.0 123.1 -170.9 -162.2 44.5 106.7 0 0.0 148 -1.7 0 0.0 0 0.0 11 68
167 A 169 THR T E E Bfa - 197 148 -125.2 128.9 175.0 -162.6 23.5 160.6 196 -0.9 198 -1.9 0 0.0 169 -0.6 10 77
168 A 170 LEU L E E Bf - 198 0 -104.9 111.6 179.7 -156.1 17.0 164.6 148 -2.1 170 -0.6 0 0.0 0 0.0 13 78
169 A 171 VAL V E E Bf - 199 0 -91.9 118.3 -177.6 -162.6 6.5 143.1 198 -3.0 200 -3.0 167 -0.6 171 -0.6 16 81
170 A 172 VAL V E E Bfb + 200 151 -107.6 121.1 -176.6 173.5 14.2 157.2 150 -2.3 152 -2.8 168 -0.6 0 0.0 15 77
171 A 173 GLY G E E Bf - 201 0 -121.0 168.1 -179.9 -133.5 24.9 138.6 200 -3.1 202 -2.9 169 -0.6 0 0.0 14 67
172 A 174 ALA A E E Bf > T - 202 0 -125.8 131.6 -174.0 -140.2 11.2 172.0 0 0.0 175 -1.4 0 0.0 0 0.0 16 55
173 A 175 ASP D T e 3 TS+ 0 0 -62.5 -36.7 -179.5 40.2 102.7 27.3 202 -2.3 0 0.0 0 0.0 0 0.0 13 41
174 A 176 GLY G T T 3 TS+ 0 0 -97.7 17.4 178.6 135.4 80.3 78.5 205 -1.6 0 0.0 0 0.0 0 0.0 10 33
175 A 177 ASP D t < T + 0 0 -68.8 121.1 179.4 171.5 22.0 118.3 172 -1.4 0 0.0 0 0.0 0 0.0 13 36
176 A 178 THR T S S S+ 0 0 -105.4 -4.1 -176.4 58.3 74.2 62.3 0 0.0 0 0.0 0 0.0 0 0.0 7 28
177 A 179 VAL V S S S+ 0 0 -93.9 -44.9 172.4 12.5 126.2 26.9 0 0.0 0 0.0 0 0.0 0 0.0 5 34
178 A 180 ALA A S S S- 0 0 -128.7 72.4 -175.5 -153.7 89.5 132.7 0 0.0 0 0.0 0 0.0 0 0.0 13 47
179 A 181 PRO P t > > T - 0 0 -49.7 137.3 -178.1 -131.8 16.1 102.4 0 0.0 183 -1.8 0 0.0 182 -1.2 12 43
180 A 182 VAL V T T 4 3>TS+ 0 0 -63.9 -30.7 177.2 64.7 104.2 30.8 0 0.0 185 -2.7 0 0.0 0 0.0 13 53
181 A 183 ALA A T T 4 35TS+ 0 0 -58.9 -33.5 -177.3 25.0 116.6 35.0 0 0.0 0 0.0 0 0.0 0 0.0 7 37
182 A 184 THR T T T 4 <5TS+ 0 0 -113.1 -6.8 177.7 19.3 136.9 57.0 179 -1.2 0 0.0 0 0.0 0 0.0 9 35
183 A 185 HIS H T h X 5TS+ 0 0 -122.3 -82.8 -174.5 32.2 123.3 57.0 179 -1.8 187 -2.5 0 0.0 0 0.0 14 50
184 A 186 SER S H H > 5TS+ 0 0 -53.0 -46.2 -177.3 45.8 120.5 34.4 0 0.0 188 -2.4 0 0.0 0 0.0 16 60
185 A 187 LYS K H H > TS+ 0 0 -53.1 -42.1 177.0 51.7 111.7 28.4 0 0.0 190 -1.9 0 0.0 0 0.0 12 41
187 A 189 PHE F H H X TS+ 0 0 -59.2 -52.2 -177.3 44.1 113.3 15.4 183 -2.5 191 -0.7 0 0.0 0 0.0 12 60
188 A 190 TYR Y H H < > TS+ 0 0 -58.1 -48.9 -176.6 49.4 113.5 22.5 184 -2.4 191 -1.2 0 0.0 0 0.0 11 57
189 A 191 GLU E H H < 3 TS+ 0 0 -66.8 -26.5 178.1 54.8 107.6 36.5 185 -3.1 0 0.0 0 0.0 0 0.0 6 40
190 A 192 SER S H H < 3 TS+ 0 0 -82.0 -15.0 -179.3 103.7 83.8 54.9 186 -1.9 0 0.0 0 0.0 0 0.0 10 41
191 A 193 LEU L S h < < TS- 0 0 -66.2 149.5 178.7 -82.4 91.2 116.0 188 -1.2 0 0.0 187 -0.7 0 0.0 13 43
192 A 194 PRO P t > T - 0 0 -49.4 145.0 -180.0 -129.0 33.5 94.1 0 0.0 195 -0.7 0 0.0 0 0.0 9 35
193 A 195 GLY G T T 3 TS+ 0 0 -69.0 -30.5 179.7 53.0 107.1 33.6 0 0.0 0 0.0 0 0.0 0 0.0 4 31
194 A 196 SER S T T 3 TS+ 0 0 -80.4 -12.6 -179.1 107.3 86.9 55.7 0 0.0 0 0.0 0 0.0 0 0.0 5 26
195 A 197 LEU L S t < TS- 0 0 -65.9 140.1 169.2 -114.9 80.7 119.0 192 -0.7 197 -0.6 0 0.0 0 0.0 10 42
196 A 198 ASP D e + 0 0 -67.9 113.9 -176.7 145.5 64.0 128.5 0 0.0 167 -0.9 0 0.0 0 0.0 13 53
197 A 199 LYS K E E Bf - 167 0 -150.2 167.9 -178.4 -167.1 31.1 161.8 195 -0.6 255 -1.6 0 0.0 0 0.0 12 61
198 A 200 ALA A E E BfG - 168 254 -162.1 150.5 -179.3 -146.2 13.5 170.4 167 -1.9 169 -3.0 0 0.0 0 0.0 12 65
199 A 201 TYR Y E E BfG - 169 253 -125.3 120.3 -178.3 -173.3 14.9 178.8 253 -2.5 253 -2.1 0 0.0 201 -0.5 14 60
200 A 202 LEU L E E BfG - 170 252 -117.9 113.8 176.4 -168.7 2.8 168.4 169 -3.0 171 -3.1 0 0.0 202 -0.6 13 68
201 A 203 GLU E E E BfG - 171 251 -105.8 118.3 -178.1 -138.6 18.0 157.5 251 -2.9 250 -2.4 199 -0.5 251 -1.3 12 61
202 A 204 LEU L E E BfG> T - 172 249 -75.0 143.6 176.4 -128.5 14.6 122.0 171 -2.9 173 -2.3 200 -0.6 205 -0.5 14 53
203 A 205 ARG R T e 3 TS+ 0 0 -92.5 136.7 176.7 5.9 85.6 139.5 248 -2.6 0 0.0 0 0.0 0 0.0 12 36
204 A 206 GLY G T T 3 TS+ 0 0 65.4 42.8 -174.4 129.9 101.6 26.7 0 0.0 0 0.0 0 0.0 0 0.0 8 31
205 A 207 ALA A t < T - 0 0 -126.9 162.5 177.7 -156.7 40.9 143.5 202 -0.5 174 -1.6 0 0.0 0 0.0 11 39
206 A 208 SER S t > T - 0 0 -124.1 -173.8 172.9 -82.8 44.9 138.2 0 0.0 209 -1.3 0 0.0 0 0.0 10 38
207 A 209 HIS H T T 3 TS+ 0 0 -58.1 -28.8 -176.2 50.1 127.8 36.3 0 0.0 0 0.0 0 0.0 0 0.0 13 51
208 A 210 PHE F T g > TS+ 0 0 -98.3 5.7 174.9 97.0 78.5 56.0 0 0.0 211 -2.1 0 0.0 0 0.0 7 48
209 A 211 THR T G G X TS+ 0 0 -60.0 -37.9 178.1 58.1 80.0 29.2 206 -1.3 212 -1.5 0 0.0 0 0.0 9 47
210 A 212 PRO P G G 3 TS+ 0 0 -68.6 -7.7 -179.1 69.6 92.7 53.4 0 0.0 0 0.0 0 0.0 0 0.0 12 62
211 A 213 ASN N G G < TS+ 0 0 -90.2 -0.7 176.8 51.7 99.3 60.9 208 -2.1 0 0.0 0 0.0 0 0.0 8 47
212 A 214 THR T S g < TS- 0 0 -129.9 152.0 179.6 -74.2 109.1 157.4 209 -1.5 0 0.0 0 0.0 0 0.0 9 36
213 A 215 SER S + 0 0 -45.5 128.6 178.7 179.2 53.3 100.3 0 0.0 0 0.0 0 0.0 0 0.0 8 36
214 A 216 ASP D h > T - 0 0 -139.3 117.4 -178.5 -155.5 24.2 167.2 0 0.0 218 -2.3 0 0.0 0 0.0 8 45
215 A 217 THR T H H > TS+ 0 0 -61.2 -36.7 179.2 52.4 95.5 31.6 0 0.0 219 -3.0 0 0.0 0 0.0 7 42
216 A 218 THR T H H > TS+ 0 0 -66.5 -47.6 175.7 44.6 111.9 18.7 0 0.0 220 -1.8 0 0.0 0 0.0 10 56
217 A 219 ILE I H H > TS+ 0 0 -58.0 -46.1 -176.8 48.8 116.7 21.0 0 0.0 221 -2.2 0 0.0 0 0.0 9 67
218 A 220 ALA A H H X TS+ 0 0 -62.7 -50.1 -175.7 48.4 109.5 20.0 214 -2.3 222 -2.9 0 0.0 0 0.0 14 61
219 A 221 LYS K H H X TS+ 0 0 -64.0 -39.6 -178.8 40.5 117.3 29.8 215 -3.0 223 -1.8 0 0.0 0 0.0 10 57
220 A 222 TYR Y H H X TS+ 0 0 -78.8 -29.0 177.0 52.8 114.7 37.3 216 -1.8 224 -2.1 0 0.0 0 0.0 10 68
221 A 223 SER S H H X TS+ 0 0 -69.1 -43.8 179.1 46.6 111.4 20.9 217 -2.2 225 -2.7 0 0.0 0 0.0 10 77
222 A 224 ILE I H H X TS+ 0 0 -60.6 -46.6 -178.1 47.5 114.1 19.7 218 -2.9 226 -2.8 0 0.0 0 0.0 11 80
223 A 225 SER S H H X TS+ 0 0 -61.0 -43.9 -177.9 49.5 112.3 26.0 219 -1.8 227 -2.7 0 0.0 0 0.0 13 72
224 A 226 TRP W H H X TS+ 0 0 -63.7 -45.2 177.5 44.8 113.9 21.8 220 -2.1 228 -2.0 0 0.0 0 0.0 12 73
225 A 227 LEU L H H X >TS+ 0 0 -66.6 -43.5 178.8 48.9 114.4 25.1 221 -2.7 229 -2.2 0 0.0 230 -1.2 11 70
226 A 228 LYS K H H X 5TS+ 0 0 -58.6 -49.7 -178.2 47.8 113.2 16.8 222 -2.8 232 -2.3 0 0.0 230 -0.7 11 68
227 A 229 ARG R H H < 5TS+ 0 0 -58.9 -40.2 -172.1 22.5 127.4 29.9 223 -2.7 0 0.0 0 0.0 0 0.0 13 61
228 A 230 PHE F H H < 5TS+ 0 0 -105.1 -37.9 175.3 43.5 125.0 31.5 224 -2.0 0 0.0 0 0.0 0 0.0 12 62
229 A 231 ILE I H H < 5TS+ 0 0 -73.5 -38.6 -178.3 25.4 132.6 22.5 225 -2.2 0 0.0 0 0.0 0 0.0 13 61
230 A 232 ASP D S h < T - 0 0 -89.5 99.0 -176.8 -172.9 22.4 130.7 226 -2.3 235 -1.8 0 0.0 0 0.0 13 43
233 A 235 THR T G G > TS+ 0 0 -71.7 -5.9 173.1 79.4 74.8 50.0 231 -1.2 236 -1.0 0 0.0 0 0.0 7 35
234 A 236 ARG R G G 3 TS+ 0 0 -68.0 -17.5 -177.5 51.0 93.7 43.8 0 0.0 0 0.0 0 0.0 0 0.0 8 38
235 A 237 TYR Y G G X TS+ 0 0 -99.8 -4.4 178.0 88.6 82.4 61.4 232 -1.8 238 -1.4 0 0.0 0 0.0 12 46
236 A 238 GLU E G G > X TS+ 0 0 -59.9 -32.4 -179.4 70.1 76.8 27.2 233 -1.0 240 -2.3 0 0.0 239 -1.6 11 42
237 A 239 GLN Q G G 4 3 TS+ 0 0 -59.8 -24.7 179.0 51.7 95.7 43.3 0 0.0 0 0.0 0 0.0 0 0.0 8 36
238 A 240 PHE F G G 4 < TS+ 0 0 -84.7 -15.6 -174.3 37.8 117.5 51.9 235 -1.4 0 0.0 0 0.0 0 0.0 11 47
239 A 241 LEU L T g 4 < TS+ 0 0 -106.1 -29.2 -176.5 82.8 102.6 47.0 236 -1.6 0 0.0 0 0.0 0 0.0 11 53
240 A 242 CYS C S t < TS+ 0 0 -137.6 129.4 0.4 33.1 86.4 176.8 236 -2.3 0 0.0 0 0.0 0 0.0 10 36
241 A 243 PRO P S S S- 0 0 -64.7 156.8 -176.2 -108.4 113.4 47.8 0 0.0 0 0.0 0 0.0 0 0.0 8 30
242 A 244 ILE I - 0 0 -60.9 147.5 177.0 -99.6 35.8 101.0 0 0.0 0 0.0 0 0.0 0 0.0 10 34
243 A 245 PRO P - 0 0 -59.4 149.8 172.9 -121.8 36.3 104.9 0 0.0 0 0.0 0 0.0 0 0.0 8 39
244 A 246 ARG R - 0 0 -88.2 159.6 173.6 -82.2 38.2 129.3 0 0.0 0 0.0 0 0.0 0 0.0 7 26
245 A 247 PRO P + 0 0 -56.2 145.0 -174.6 153.6 65.1 98.3 0 0.0 0 0.0 0 0.0 0 0.0 9 27
246 A 248 SER S - 0 0 -152.8 -161.8 175.9 -60.6 59.4 142.5 249 -2.7 0 0.0 0 0.0 0 0.0 6 22
247 A 249 LEU L S S S+ 0 0 -63.4 -40.1 -177.9 27.3 136.4 29.4 0 0.0 0 0.0 0 0.0 0 0.0 6 21
248 A 250 THR T S e S+ 0 0 -98.2 -22.5 -179.6 67.0 115.2 45.6 0 0.0 203 -2.6 0 0.0 250 -0.6 9 33
249 A 251 ILE I E E BG + 202 0 -107.5 117.4 177.0 177.5 47.9 155.1 0 0.0 246 -2.7 0 0.0 0 0.0 13 38
250 A 252 ALA A E E B* S- 0 0 -78.0 -42.1 -178.5 -10.6 75.2 31.6 201 -2.4 0 0.0 248 -0.6 0 0.0 12 34
251 A 253 GLU E E E BG - 201 0 -156.2 150.3 176.4 -168.4 57.6 167.4 201 -1.3 201 -2.9 0 0.0 0 0.0 11 37
252 A 254 TYR Y E E BG - 200 0 -145.6 128.7 177.3 -179.2 6.1 166.9 0 0.0 0 0.0 0 0.0 0 0.0 13 44
253 A 255 ARG R E E BG + 199 0 -122.9 150.0 -177.9 154.1 15.4 159.4 199 -2.1 199 -2.5 0 0.0 0 0.0 8 47
254 A 256 GLY G E E BG - 198 0 -170.2 160.2 174.0 -115.3 46.4 169.5 0 0.0 256 -0.6 0 0.0 0 0.0 9 48
255 A 257 THR T e - 0 0 -102.6 113.6 -179.4 -147.2 51.9 162.8 197 -1.6 0 0.0 0 0.0 0 0.0 10 38
256 A 258 CYS C + 0 0 -132.5 145.4 -4.3 41.9 69.2 163.2 254 -0.6 0 0.0 0 0.0 0 0.0 8 32
257 A 259 PRO P S S S- 0 0 -79.6 158.7 -179.2 -131.8 87.2 50.1 0 0.0 0 0.0 0 0.0 0 0.0 6 29
258 A 260 HIS H - 0 0 -74.2 150.4 -178.2 -163.2 13.8 114.1 0 0.0 0 0.0 0 0.0 0 0.0 8 41
259 A 261 THR T 0 0 -111.6 -8.6 171.9 999.9 999.9 62.0 0 0.0 0 0.0 0 0.0 0 0.0 4 32
260 A 262 SER S 0 0 -59.2 999.9 999.9 999.9 999.9 42.8 0 0.0 0 0.0 0 0.0 0 0.0 5 40
1jfrA.pdb
1JFR SERINE HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TT SS HHHHH SS SS EEEEEE TTT SSS EEEEEES TT EEEEEEE TT GGGTTTHHHHHHTTT EEEEE SSTT HHHHHHH Kabs/Sand
chirality ++-+-----+++++-+--+---------+++--+------+--++++-------------+--+++++++++++++-+----------++--+++++++ chirality
bends S SS SSSSS SS SS SSS SSS S SS SS SSSS SSSSSSSSSS SSSS SSSSSSS bends
turns TTTT TTTTTTT TTTTT TTTT TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33<>>33<< >>3<< >33< 3-turns
bridge-2 BBBB dddd dddd bridge-2
bridge-1 AAAAAA AAAAAA c*ccccc BBBB bridge-1
sheets AAAAAA AAAAAA AAAAAAA AAAAA sheets
4-turns >>>4<<< >444< >444<>>>><>>>XXXX 4-turns
summary tTTt SS hHHHHHhSS SSeEEEEEEtTTTtSSS eEEEEEEe tTTt EEEEEEE tTTtgGGGgGhHHHHHHhTTtEEEEEe StTTthHHHHHHH summary
sequence NPYERGPAPTNASIEASRGPYATSQTSVSSLVASGFGGGTIYYPTSTADGTFGAVVISPGFTAYQSSIAWLGPRLASQGFVVFTIDTNTTLDQPDSRGRQ sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHHTSTTGGGEEEEEEEEEEETHHHHHHHHHHHH TT SEEEEES S TT S EEEEEETT SSS TTTTHHHHHHHS TTS EEEE Kabs/Sand
chirality +++++++++++-+++++--+++--++--++++++++++++++++-+-------+-+++++++++-----+--+++++--+++++++++++--++-+---- chirality
bends SSSSSSSSSSSSSSSSSS SSS SSSSSSSSSSSSSS S S SS S S S SS SSS SSSSSSSSSSSS SSS bends
turns TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >3>X3<<>33< >33< >33< >33< >33< >33< >33<>33< 3-turns
bridge-2 eeeee a b a b GGG bridge-2
bridge-1 c****ccccc eeeee ffffff ffff bridge-1
sheets AAAAAAAAAAA AAAAA BBBBBB BBBB sheets
4-turns XXXXXXX<<<< >>>>XXXXXX<<<< >444X>>>X<<<< 4-turns
summary HHHHHHHHHHhtTgGGeEEEEEEEEEEEhHHHHHHHHHHHHhTTtSEEEEES S tTTt S EEEEEEeTtSSStTTThHHHHHHHhtTTteEEEE summary
sequence LLSALDYLTQRSSVRTRVDATRLGVMGHSMGGGGSLEAAKSRTSLKAAIPLTGWNTDKTWPELRTPTLVVGADGDTVAPVATHSKPFYESLPGSLDKAYL sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EETT TTGGGS HHHHHHHHHHHHHHHS GGGGGGTSS SSEEEEEE S Kabs/Sand
chirality --++--+++++-+-+++++++++++++++-+-++++++++----+-+++---+--+-- chirality
bends SS SSSSSS SSSSSSSSSSSSSSSS SSSSSSSSS SS S S bends
turns TTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33<>3>X3<< >>3XX3<< 3-turns
bridge-2 GG bridge-2
bridge-1 ff G*GGGG bridge-1
sheets BB BBBBBB sheets
4-turns >>>>XXXXXXXXX<<<< >444< 4-turns
summary EEeTttTgGGGg hHHHHHHHHHHHHHHHh gGGGGGGgtS SeEEEEEEe S summary
sequence ELRGASHFTPNTSDTTIAKYSISWLKRFIDSDTRYEQFLCPIPRPSLTIAEYRGTCPHTS sequence
210 220 230 240 250 260