Secondary structure calculation program - copyright by David Keith Smith, 1989
1f6bA.pdb
1F6B PROTEIN TRANSPORT MOL_ID: 1; MOL_ID: 1;
Sequence length - 176
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 13 SER S h > > T 0 0 999.9 61.7 177.9 999.9 999.9 999.9 0 0.0 4 -0.9 0 0.0 5 -0.7 5 25
2 A 14 SER S H H > 3 T + 0 0 -68.1 -4.9 180.0 85.3 999.9 58.3 0 0.0 6 -2.0 0 0.0 0 0.0 5 24
3 A 15 VAL V H H > 3 TS+ 0 0 -62.4 -49.9 -179.7 48.2 85.7 18.8 0 0.0 7 -1.5 0 0.0 0 0.0 8 36
4 A 16 LEU L H H 4 <>TS+ 0 0 -61.1 -38.7 179.8 52.9 109.4 28.1 1 -0.9 9 -2.5 0 0.0 10 -0.8 10 43
5 A 17 GLN Q H H < >5TS+ 0 0 -63.5 -41.8 179.4 51.8 107.4 21.8 1 -0.7 8 -1.0 0 0.0 0 0.0 9 31
6 A 18 PHE F H H < 35TS+ 0 0 -62.1 -32.4 -179.4 45.1 113.4 34.9 2 -2.0 0 0.0 0 0.0 0 0.0 9 33
7 A 19 LEU L T h < 35TS- 0 0 -90.2 -5.3 -179.7 -117.4 113.5 60.7 3 -1.5 0 0.0 0 0.0 0 0.0 12 52
8 A 20 GLY G T T <5TS+ 0 0 76.6 19.1 -178.5 108.7 88.3 46.8 5 -1.0 0 0.0 0 0.0 0 0.0 9 38
9 A 21 LEU L t > TS- 58 0 -66.0 161.3 177.5 -80.4 73.5 101.8 0 0.0 24 -1.7 0 0.0 0 0.0 13 52
22 A 34 ASP D T e 3 TS+ 0 0 -59.3 145.1 178.4 25.6 119.3 109.7 58 -0.5 0 0.0 0 0.0 0 0.0 10 44
23 A 35 ASN N T T 3 TS+ 0 0 78.1 4.8 -179.4 119.1 82.7 62.4 0 0.0 0 0.0 0 0.0 0 0.0 6 44
24 A 36 ALA A S t < TS- 0 0 -71.7 -26.5 179.4 -100.8 89.8 38.1 21 -1.7 0 0.0 0 0.0 0 0.0 10 58
25 A 37 GLY G S h > TS+ 0 0 118.4 13.8 -178.1 132.6 78.9 58.0 0 0.0 29 -2.2 0 0.0 0 0.0 11 58
26 A 38 LYS K H H > TS+ 0 0 -61.5 -48.6 -179.9 43.2 77.3 25.3 0 0.0 30 -2.3 0 0.0 0 0.0 12 55
27 A 39 THR T H H > TS+ 0 0 -66.6 -39.8 178.8 54.1 112.8 27.4 0 0.0 31 -2.6 0 0.0 0 0.0 11 50
28 A 40 THR T H H > TS+ 0 0 -60.4 -42.1 179.1 48.9 109.3 23.7 0 0.0 32 -1.5 0 0.0 0 0.0 10 50
29 A 41 LEU L H H X TS+ 0 0 -63.7 -44.8 -179.9 50.8 109.8 21.4 25 -2.2 33 -0.9 0 0.0 0 0.0 10 67
30 A 42 LEU L H H X > TS+ 0 0 -59.4 -41.3 -179.8 53.9 107.6 24.2 26 -2.3 34 -1.8 0 0.0 33 -1.0 12 58
31 A 43 HIS H H H < 3 TS+ 0 0 -62.5 -33.3 179.0 58.1 101.7 33.1 27 -2.6 0 0.0 0 0.0 0 0.0 9 38
32 A 44 MET M H H < 3 TS+ 0 0 -67.8 -22.5 179.3 49.3 107.2 40.9 28 -1.5 0 0.0 0 0.0 0 0.0 10 43
33 A 45 LEU L H H < < TS+ 0 0 -83.5 -35.4 178.3 60.9 98.8 33.3 30 -1.0 0 0.0 29 -0.9 0 0.0 8 46
34 A 46 LYS K S h < TS- 0 0 -61.2 -14.2 175.9 -78.8 134.3 45.3 30 -1.8 0 0.0 0 0.0 0 0.0 7 35
35 A 47 ASP D 0 0 117.5 140.8 -179.6 999.9 999.9 85.7 0 0.0 0 0.0 0 0.0 0 0.0 6 28
36!A 48 ASP D 0 0 107.2 999.9 999.9 999.9 999.9 135.8 0 0.0 0 0.0 0 0.0 0 0.0 5 25
37!A 55 PRO P 0 0 999.9 78.6 -179.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 15
38 A 56 THR T - 0 0 172.7 149.8 177.0 -119.7 999.9 146.0 0 0.0 0 0.0 0 0.0 0 0.0 3 21
39 A 57 LEU L - 0 0 -100.2 151.9 -178.7 -147.7 22.4 140.2 0 0.0 0 0.0 0 0.0 0 0.0 4 20
40 A 58 HIS H - 0 0 -129.0 88.2 -179.6 -170.0 15.3 135.5 0 0.0 0 0.0 0 0.0 0 0.0 6 30
41 A 59 PRO P - 0 0 -65.5 167.1 179.9 -103.8 39.3 94.2 0 0.0 0 0.0 0 0.0 0 0.0 6 28
42 A 60 THR T S S S+ 0 0 -68.2 -19.0 179.8 17.4 104.3 46.5 0 0.0 57 -1.1 0 0.0 0 0.0 8 35
43 A 61 SER S + 0 0 -159.7 133.3 178.7 172.6 62.7 158.9 0 0.0 0 0.0 0 0.0 0 0.0 9 39
44 A 62 GLU E e - 0 0 -139.2 149.3 -179.5 -153.9 13.7 169.4 0 0.0 55 -2.7 0 0.0 0 0.0 10 37
45 A 63 GLU E E E AC - 54 0 -127.7 139.3 179.1 -179.1 10.6 167.0 0 0.0 0 0.0 0 0.0 0 0.0 8 38
46 A 64 LEU L E E AC - 53 0 -139.6 134.1 178.7 -167.3 6.1 177.4 53 -2.8 53 -3.4 0 0.0 0 0.0 9 36
47 A 65 THR T E E AC + 52 0 -124.9 128.2 177.8 176.9 7.3 170.9 0 0.0 0 0.0 0 0.0 0 0.0 8 35
48 A 66 ILE I E E AC > T - 51 0 -128.6 116.5 -178.8 -51.8 66.5 171.1 51 -2.7 51 -2.5 0 0.0 0 0.0 8 32
49 A 67 ALA A T T 3 TS- 0 0 52.6 -127.8 -178.9 -13.1 125.0 105.9 0 0.0 0 0.0 0 0.0 0 0.0 6 26
50 A 68 GLY G T e 3 TS+ 0 0 -85.3 3.8 -178.9 89.2 121.0 64.7 0 0.0 14 -2.3 0 0.0 0 0.0 9 30
51 A 69 MET M E E AaC< T - 14 48 -107.7 134.0 177.6 -171.9 52.1 149.7 48 -2.5 48 -2.7 0 0.0 0 0.0 12 44
52 A 70 THR T E E AaC - 15 47 -122.2 138.2 -179.6 -166.7 3.0 164.0 14 -2.1 16 -2.8 0 0.0 0 0.0 11 46
53 A 71 PHE F E E AaC - 16 46 -125.3 129.7 -179.3 -179.1 8.4 173.2 46 -3.4 46 -2.8 0 0.0 0 0.0 12 54
54 A 72 THR T E E AaC - 17 45 -134.6 136.0 -179.4 -149.4 12.3 174.5 16 -1.9 18 -2.8 0 0.0 0 0.0 12 49
55 A 73 THR T E E Aa + 18 0 -105.9 148.5 178.3 177.7 13.9 140.9 44 -2.7 0 0.0 0 0.0 0 0.0 14 53
56 A 74 PHE F E E Aa - 19 0 -147.6 130.4 177.5 -130.2 26.3 166.5 18 -1.8 20 -0.6 0 0.0 0 0.0 12 50
57 A 75 ASP D E E Aa - 20 0 -79.3 135.0 179.8 -142.7 29.3 130.4 42 -1.1 0 0.0 0 0.0 0 0.0 10 47
58 A 76 LEU L E E Aa - 21 0 -105.4 144.3 179.6 -49.0 42.2 143.4 20 -2.4 22 -0.5 0 0.0 0 0.0 9 47
59 A 77 GLY G 0 0 35.7 -140.5 179.2 999.9 999.9 82.6 0 0.0 0 0.0 0 0.0 0 0.0 6 34
60!A 78 GLY G 0 0 79.0 999.9 999.9 999.9 999.9 89.6 0 0.0 0 0.0 0 0.0 0 0.0 5 27
61!A 83 ARG R 0 0 999.9 42.7 -178.3 999.9 999.9 999.9 0 0.0 63 -2.4 0 0.0 0 0.0 2 13
62 A 84 ARG R g > T + 0 0 -48.7 18.9 -179.2 135.2 999.9 83.6 0 0.0 65 -2.6 0 0.0 0 0.0 4 23
63 A 85 VAL V G G > T + 0 0 -41.4 -43.6 -178.0 70.8 61.2 31.8 61 -2.4 66 -2.6 0 0.0 0 0.0 5 20
64 A 86 TRP W G G > TS+ 0 0 -48.6 -28.6 -179.3 70.4 83.4 42.1 0 0.0 67 -1.6 0 0.0 0 0.0 7 36
65 A 87 LYS K G G X TS+ 0 0 -65.5 -21.4 179.6 69.4 83.5 42.5 62 -2.6 68 -0.8 0 0.0 0 0.0 6 36
66 A 88 ASN N G G < TS+ 0 0 -70.4 -13.9 -179.3 56.8 95.4 48.6 63 -2.6 0 0.0 0 0.0 0 0.0 6 24
67 A 89 TYR Y G G > X TS+ 0 0 -89.2 -19.0 -177.9 85.3 83.2 47.3 64 -1.6 70 -1.9 0 0.0 71 -0.5 7 35
68 A 90 LEU L G G 4 X TS+ 0 0 -54.5 -37.5 -180.0 62.8 78.4 35.1 65 -0.8 71 -1.1 0 0.0 0 0.0 9 41
69 A 91 PRO P G G 4 3 TS+ 0 0 -62.6 -17.8 -177.6 48.1 106.7 42.1 0 0.0 0 0.0 0 0.0 0 0.0 7 27
70 A 92 ALA A G G 4 < TS+ 0 0 -99.4 -8.6 -177.6 104.7 89.5 56.9 67 -1.9 0 0.0 0 0.0 0 0.0 6 32
71 A 93 ILE I g < < T - 0 0 -80.5 157.6 -179.3 -169.4 44.4 110.2 68 -1.1 0 0.0 67 -0.5 0 0.0 12 46
72 A 94 ASN N S S S+ 0 0 -117.5 -9.6 179.8 13.7 73.3 62.4 15 -3.4 0 0.0 0 0.0 0 0.0 10 46
73 A 95 GLY G E E Ab - 16 0 -165.6 153.1 -179.8 -142.7 59.2 167.2 15 -1.0 17 -1.8 0 0.0 0 0.0 13 60
74 A 96 ILE I E E Abd - 17 107 -124.8 133.1 176.6 -166.4 4.1 168.1 106 -2.1 108 -3.2 0 0.0 76 -0.6 13 68
75 A 97 VAL V E E Abd - 18 108 -117.7 110.4 -177.5 -166.1 14.9 166.3 17 -2.7 19 -2.9 0 0.0 77 -0.6 12 74
76 A 98 PHE F E E Abd - 19 109 -104.3 114.2 -179.2 -155.5 4.6 152.2 108 -2.9 110 -2.6 74 -0.6 0 0.0 12 71
77 A 99 LEU L E E A d - 0 110 -95.1 137.8 179.1 -168.9 7.8 137.0 19 -2.9 0 0.0 75 -0.6 0 0.0 15 71
78 A 100 VAL V E E A d - 0 111 -122.5 128.3 177.3 -133.9 23.3 169.1 110 -2.5 112 -2.1 0 0.0 80 -1.3 13 73
79 A 101 ASP D E E A d> T - 0 112 -81.6 98.6 -178.3 -170.8 21.7 135.0 0 0.0 82 -1.6 0 0.0 0 0.0 13 60
80 A 102 CYS C T e 3 TS+ 0 0 -67.7 -10.9 179.7 60.0 80.8 51.3 112 -2.1 120 -2.0 78 -1.3 0 0.0 15 50
81 A 103 ALA A T T 3 TS+ 0 0 -92.8 -8.3 -179.7 76.6 88.7 57.7 0 0.0 83 -0.9 0 0.0 0 0.0 12 39
82 A 104 ASP D g X T + 0 0 -105.6 81.5 -178.4 171.9 54.8 134.9 79 -1.6 85 -1.3 0 0.0 0 0.0 8 36
83 A 105 HIS H G G > TS+ 0 0 -56.6 -41.9 -178.5 63.1 71.9 29.9 81 -0.9 86 -1.5 0 0.0 0 0.0 7 35
84 A 106 GLU E G G 3 TS+ 0 0 -58.5 -24.3 -178.3 41.5 108.6 42.3 0 0.0 0 0.0 0 0.0 0 0.0 5 24
85 A 107 ARG R G h > < TS+ 0 0 -107.5 6.1 179.5 97.7 83.0 68.4 82 -1.3 89 -2.3 0 0.0 0 0.0 7 35
86 A 108 LEU L H H > < TS+ 0 0 -59.1 -42.5 -179.8 49.4 86.4 24.3 83 -1.5 90 -2.6 0 0.0 0 0.0 11 45
87 A 109 LEU L H H > TS+ 0 0 -63.5 -43.1 179.5 49.3 110.4 25.7 0 0.0 91 -2.3 0 0.0 0 0.0 7 35
88 A 110 GLU E H H > TS+ 0 0 -63.1 -38.6 179.6 51.0 111.5 27.7 0 0.0 92 -1.9 0 0.0 0 0.0 9 34
89 A 111 SER S H H X TS+ 0 0 -63.7 -47.2 179.9 50.0 109.1 20.9 85 -2.3 93 -2.3 0 0.0 0 0.0 11 48
90 A 112 LYS K H H X TS+ 0 0 -58.8 -42.8 180.0 54.3 107.8 25.8 86 -2.6 94 -2.9 0 0.0 0 0.0 9 45
91 A 113 GLU E H H X TS+ 0 0 -60.0 -41.7 179.5 48.9 108.2 24.6 87 -2.3 95 -1.8 0 0.0 0 0.0 8 35
92 A 114 GLU E H H X TS+ 0 0 -64.9 -43.7 178.7 47.9 112.3 21.5 88 -1.9 96 -1.7 0 0.0 0 0.0 11 39
93 A 115 LEU L H H X TS+ 0 0 -61.8 -44.2 -179.7 54.1 108.8 23.4 89 -2.3 97 -2.5 0 0.0 0 0.0 10 56
94 A 116 ASP D H H X TS+ 0 0 -58.5 -36.9 179.7 53.4 106.1 29.0 90 -2.9 98 -0.6 0 0.0 0 0.0 8 43
95 A 117 SER S H H < > TS+ 0 0 -65.4 -40.8 178.9 48.1 109.2 25.1 91 -1.8 98 -0.9 0 0.0 0 0.0 8 32
96 A 118 LEU L H H < > TS+ 0 0 -64.6 -40.6 -178.3 55.1 108.6 25.0 92 -1.7 99 -1.3 0 0.0 0 0.0 8 49
97 A 119 MET M H H < 3 TS+ 0 0 -71.3 -8.7 178.4 46.4 109.3 55.9 93 -2.5 0 0.0 0 0.0 0 0.0 8 39
98 A 120 THR T T h < < TS+ 0 0 -113.5 7.6 179.4 114.5 83.1 73.2 95 -0.9 100 -0.7 94 -0.6 0 0.0 7 24
99 A 121 ASP D g X T - 0 0 -82.9 112.7 -180.0 -156.3 55.0 135.2 96 -1.3 102 -1.4 0 0.0 0 0.0 8 28
100 A 122 GLU E G G > TS+ 0 0 -56.5 -33.2 -178.4 69.4 88.2 35.6 98 -0.7 103 -1.2 0 0.0 0 0.0 5 22
101 A 123 THR T G G 3 TS+ 0 0 -57.9 -29.6 -177.4 24.9 114.2 38.4 0 0.0 0 0.0 0 0.0 0 0.0 6 25
102 A 124 ILE I G G X TS+ 0 0 -127.5 28.0 -179.0 131.9 77.8 89.0 99 -1.4 105 -1.7 0 0.0 0 0.0 10 36
103 A 125 ALA A T g < TS+ 0 0 -51.9 -30.4 -178.6 38.0 82.1 42.0 100 -1.2 0 0.0 0 0.0 0 0.0 9 30
104 A 126 ASN N T T 3 TS+ 0 0 -106.3 4.8 -179.4 116.7 86.2 69.0 0 0.0 0 0.0 0 0.0 0 0.0 7 38
105 A 127 VAL V S t < TS- 0 0 -78.0 124.5 179.9 -115.9 70.4 127.3 102 -1.7 0 0.0 0 0.0 0 0.0 11 49
106 A 128 PRO P e - 0 0 -59.2 144.7 -179.9 -149.5 28.1 104.8 0 0.0 74 -2.1 0 0.0 0 0.0 12 60
107 A 129 ILE I E E Ade - 74 151 -124.7 122.2 177.2 -168.1 11.9 166.0 150 -2.4 152 -1.7 0 0.0 109 -0.6 13 61
108 A 130 LEU L E E Ade - 75 152 -106.3 117.9 178.2 -158.3 11.6 159.4 74 -3.2 76 -2.9 0 0.0 110 -0.6 15 66
109 A 131 ILE I E E Ade - 76 153 -99.0 123.0 178.7 -160.6 4.2 151.4 152 -2.8 154 -2.7 107 -0.6 111 -0.6 12 73
110 A 132 LEU L E E Ade - 77 154 -106.5 117.0 177.6 -153.2 9.8 156.4 76 -2.6 78 -2.5 108 -0.6 112 -1.3 14 71
111 A 133 GLY G E E Ade - 78 155 -87.3 95.6 -176.1 -163.6 34.4 139.3 154 -2.2 156 -2.9 109 -0.6 0 0.0 15 66
112 A 134 ASN N E E Ad + 79 0 -88.6 161.7 179.0 35.1 50.4 110.6 78 -2.1 80 -2.1 110 -1.3 0 0.0 15 62
113 A 135 LYS K t > T + 0 0 71.5 36.9 -179.6 152.3 56.6 37.1 0 0.0 116 -1.7 0 0.0 0 0.0 13 46
114 A 136 ILE I T T 3 T + 0 0 -71.1 -9.2 178.3 76.8 61.7 53.7 156 -1.6 0 0.0 0 0.0 0 0.0 13 37
115 A 137 ASP D T T 3 TS+ 0 0 -72.0 -16.7 179.8 91.3 78.8 47.5 0 0.0 0 0.0 0 0.0 0 0.0 7 30
116 A 138 ARG R S t X TS- 0 0 -82.0 132.1 179.8 -136.8 80.0 130.0 113 -1.7 119 -2.0 0 0.0 0 0.0 7 27
117 A 139 PRO P T T 3 TS+ 0 0 -56.6 -33.0 -179.4 53.6 105.3 32.5 0 0.0 0 0.0 0 0.0 0 0.0 6 19
118 A 140 GLU E T T 3 TS+ 0 0 -82.6 -0.4 179.9 122.5 80.2 62.2 0 0.0 0 0.0 0 0.0 0 0.0 6 25
119 A 141 ALA A t < T - 0 0 -64.2 133.0 179.4 -119.9 65.4 114.2 116 -2.0 0 0.0 0 0.0 0 0.0 12 35
120 A 142 ILE I - 0 0 -71.6 157.1 179.9 -105.1 29.2 108.6 80 -2.0 0 0.0 0 0.0 0 0.0 10 37
121 A 143 SER S h > T - 0 0 -76.8 166.5 178.9 -110.2 26.2 106.8 0 0.0 125 -2.4 0 0.0 0 0.0 7 34
122 A 144 GLU E H H > TS+ 0 0 -64.1 -37.5 179.6 56.1 120.3 28.3 0 0.0 126 -2.9 0 0.0 0 0.0 10 42
123 A 145 GLU E H H > TS+ 0 0 -60.0 -47.6 179.9 45.0 109.2 18.8 0 0.0 127 -2.5 0 0.0 0 0.0 6 29
124 A 146 ARG R H H > TS+ 0 0 -64.4 -39.2 179.2 51.9 112.4 26.8 0 0.0 128 -2.9 0 0.0 0 0.0 8 31
125 A 147 LEU L H H X TS+ 0 0 -62.0 -49.1 -179.7 45.9 111.7 17.5 121 -2.4 129 -2.3 0 0.0 0 0.0 11 47
126 A 148 ARG R H H X >TS+ 0 0 -60.7 -44.0 -180.0 47.3 115.3 22.4 122 -2.9 131 -2.8 0 0.0 130 -0.5 11 41
127 A 149 GLU E H H < >5TS+ 0 0 -63.4 -49.2 -179.2 47.1 112.9 18.5 123 -2.5 130 -1.1 0 0.0 0 0.0 9 28
128 A 150 MET M H H < 35TS+ 0 0 -62.7 -35.2 179.6 44.2 116.3 31.5 124 -2.9 0 0.0 0 0.0 0 0.0 7 36
129 A 151 PHE F H H < 35TS- 0 0 -88.3 0.1 180.0 -123.4 110.2 62.6 125 -2.3 0 0.0 0 0.0 0 0.0 7 46
130 A 152 GLY G T h < <5T + 0 0 60.4 44.1 -177.7 143.0 63.0 26.8 127 -1.1 0 0.0 126 -0.5 0 0.0 7 29
131 A 153 LEU L t > > > T - 0 0 -63.3 145.8 -179.9 -121.0 21.4 108.4 140 -0.6 146 -1.6 0 0.0 145 -0.5 8 25
143 A 165 LEU L T T 4 3 TS+ 0 0 -68.4 3.0 178.7 70.5 110.7 63.6 0 0.0 0 0.0 0 0.0 0 0.0 9 30
144 A 166 LYS K T T 4 3 TS+ 0 0 -81.3 -54.0 179.3 38.2 102.1 21.8 0 0.0 0 0.0 0 0.0 0 0.0 5 17
145 A 167 GLU E T T 4 < TS+ 0 0 -65.1 -28.4 178.0 73.3 112.9 36.8 142 -0.5 0 0.0 0 0.0 0 0.0 6 18
146 A 168 LEU L t < T - 0 0 -86.5 132.5 178.2 -179.9 57.2 137.1 142 -1.6 0 0.0 0 0.0 0 0.0 10 26
147 A 169 ASN N + 0 0 -112.2 7.3 -179.8 67.6 65.7 74.0 0 0.0 0 0.0 0 0.0 0 0.0 6 20
148 A 170 ALA A S S S- 0 0 -121.1 173.9 179.7 -80.0 97.1 133.0 0 0.0 0 0.0 0 0.0 0 0.0 7 28
149 A 171 ARG R - 0 0 -74.9 128.9 179.9 -103.7 56.1 125.7 0 0.0 0 0.0 0 0.0 0 0.0 11 44
150 A 172 PRO P e + 0 0 -56.3 130.5 -179.2 166.3 52.4 108.7 0 0.0 107 -2.4 0 0.0 0 0.0 14 47
151 A 173 LEU L E E Ae + 107 0 -152.2 124.8 178.8 155.9 2.0 160.6 0 0.0 136 -2.7 0 0.0 0 0.0 12 57
152 A 174 GLU E E E Ae - 108 0 -148.7 160.8 179.9 -135.1 29.8 168.0 107 -1.7 109 -2.8 0 0.0 0 0.0 11 57
153 A 175 VAL V E E Ae + 109 0 -121.2 129.1 178.3 177.6 20.3 166.7 0 0.0 0 0.0 0 0.0 0 0.0 12 57
154 A 176 PHE F E E Ae - 110 0 -132.0 130.0 179.6 -137.1 21.8 176.7 109 -2.7 111 -2.2 0 0.0 0 0.0 13 55
155 A 177 MET M E E Ae + 111 0 -84.7 147.2 -178.7 159.5 35.5 126.9 0 0.0 0 0.0 0 0.0 0 0.0 11 51
156 A 178 CYS C e - 0 0 -159.6 168.4 174.5 -136.0 44.3 168.8 111 -2.9 114 -1.6 0 0.0 0 0.0 12 49
157 A 179 SER S B B A >T - 162 0 -129.9 99.4 179.7 -174.5 18.3 156.3 162 -2.8 162 -2.3 0 0.0 0 0.0 13 47
158 A 180 VAL V T T >5TS+ 0 0 -60.6 -43.4 -179.2 57.0 85.4 21.3 0 0.0 161 -1.7 0 0.0 0 0.0 14 46
159 A 181 LEU L T T 35TS+ 0 0 -55.9 -37.1 -179.5 41.6 111.7 33.4 0 0.0 0 0.0 0 0.0 0 0.0 8 40
160 A 182 LYS K T T 35TS- 0 0 -94.1 5.0 179.4 -120.7 110.8 69.3 0 0.0 0 0.0 0 0.0 0 0.0 6 28
161 A 183 ARG R T T <5T + 0 0 57.4 48.7 -179.4 130.4 68.9 21.1 158 -1.7 0 0.0 0 0.0 0 0.0 8 36
162 A 184 GLN Q B B A TS+ 0 0 91.1 -30.3 -178.4 85.8 98.6 90.3 0 0.0 167 -1.0 0 0.0 0 0.0 11 41
164 A 186 TYR Y H H > TS+ 0 0 -78.1 -25.7 179.0 64.8 79.6 36.2 0 0.0 168 -2.6 0 0.0 0 0.0 13 56
165 A 187 GLY G H H > TS+ 0 0 -59.1 -45.2 -179.9 50.6 101.5 20.7 0 0.0 169 -2.5 0 0.0 0 0.0 9 44
166 A 188 GLU E H H > TS+ 0 0 -59.1 -40.4 179.5 51.3 110.2 27.2 0 0.0 170 -1.5 0 0.0 0 0.0 9 41
167 A 189 GLY G H H X TS+ 0 0 -63.5 -46.5 179.8 47.2 110.1 22.1 163 -1.0 171 -2.1 0 0.0 0 0.0 12 53
168 A 190 PHE F H H X TS+ 0 0 -63.3 -40.7 179.7 54.1 109.0 26.4 164 -2.6 172 -2.7 0 0.0 0 0.0 11 64
169 A 191 ARG R H H X TS+ 0 0 -62.8 -33.2 178.3 51.3 108.2 31.3 165 -2.5 173 -0.7 0 0.0 0 0.0 12 48
170 A 192 TRP W H H < > TS+ 0 0 -66.5 -49.5 -179.6 43.1 113.6 18.3 166 -1.5 173 -0.9 0 0.0 0 0.0 10 49
171 A 193 MET M H H < > TS+ 0 0 -64.6 -35.4 -178.3 71.6 100.7 32.0 167 -2.1 174 -2.3 0 0.0 0 0.0 13 58
172 A 194 ALA A H H < > TS+ 0 0 -54.2 -29.2 -179.4 68.8 83.3 41.2 168 -2.7 175 -2.0 0 0.0 0 0.0 10 53
173 A 195 GLN Q T h < < TS+ 0 0 -64.8 -18.6 -179.9 47.5 102.4 44.0 170 -0.9 0 0.0 169 -0.7 0 0.0 8 45
174 A 196 TYR Y T T < TS+ 0 0 -105.0 13.1 179.9 93.8 96.3 77.9 171 -2.3 0 0.0 0 0.0 0 0.0 9 48
175 A 197 ILE I t < T 0 0 -112.0 132.2 178.9 999.9 999.9 156.6 172 -2.0 0 0.0 0 0.0 0 0.0 11 44
176 A 198 ASP D 0 0 62.8 999.9 999.9 999.9 999.9 107.3 0 0.0 0 0.0 0 0.0 0 0.0 5 33
1f6bA.pdb
1F6B PROTEIN TRANSPORT MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHTT TT EEEEEEEETTSSHHHHHHHHS S EEEETTEEEEEEEE GGGGGGGG SEEEEEEETT GGGHHHHHHHHHHHHT G Kabs/Sand
chirality +++++-++++-+----++--++-+++++++++- ----++---+--+----+--- +++++++++-+-------+++++++++++++++++++-+ chirality
bends SSSSSS SS SSSSSSSSSSSSSS S SS SSSSSSS S SS SSSSSSSSSSSSSSSS S bends
turns TTTTTTTTTTTT TTTTTTTTTTTTTT TTTT TTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33<>33<>33< >33< >33< >33< >>>X33X>3<< >>3 3-turns
bridge-2 bbbb CCCC dddddd bridge-2
bridge-1 aaaaaaaa CCCC aaaaaaaa bbbb bridge-1
sheets AAAAAAAA AAAA AAAAAAAA AAAAAAA sheets
4-turns >>>4<<< >>>>XX<<<< >444< >>>>XXXXXX<<<< 4-turns
summary hHHHHHhTtTTt EEEEEEEEeTthHHHHHHHHh S eEEEETeEEEEEEEE gGGGGGGGGgSEEEEEEEeTgGGhHHHHHHHHHHHHhgG summary
sequence SSVLQFLGLYKKTGKLVFLGLDNAGKTTLLHMLKDDPTLHPTSEELTIAGMTFTTFDLGGRRVWKNYLPAINGIVFLVDCADHERLLESKEELDSLMTDE sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand GGTTS EEEEEE TTSTT HHHHHHHHT TTT SS TTT S EEEEE BTTTTBSHHHHHHHHHTT Kabs/Sand
chirality ++++-------++++-++---+++++++-+++++---+-+--+++-+--++-+-+--++-++++++++++++++ chirality
bends SSSSS SSSS SSSSSSSS SS SS SSS S SSS SSSSSSSSSSSS bends
turns TTTTT TTTTTTT TTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns 3X<3< >33X33< >33<>33< >33< >33< >>><<< 3-turns
bridge-2 eeeee bridge-2
bridge-1 dddddd eeeee A A bridge-1
sheets AAAAAA AAAAA sheets
4-turns >>>>XX<<<<>444< >444< >>>>XXX<<<< 4-turns
summary GGgTteEEEEEEtTTtTTt hHHHHHHHHhtTTTt SS tTTTt S eEEEEEeBTTTTBhHHHHHHHHHhTt summary
sequence TIANVPILILGNKIDRPEAISEERLREMFGLYGQTTGKGSVSLKELNARPLEVFMCSVLKRQGYGEGFRWMAQYID sequence
110 120 130 140 150 160 170
Messages
chain break between 36(A 48 ) and 37(A 55 )
chain break between 60(A 78 ) and 61(A 83 )