Secondary structure calculation program - copyright by David Keith Smith, 1989
1ii5A.pdb
1II5 MEMBRANE PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 221
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 1 GLY G 0 0 999.9 136.5 179.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 14
2 A 2 SER S + 0 0 -99.3 15.9 -179.8 131.1 999.9 77.1 0 0.0 0 0.0 0 0.0 0 0.0 3 13
3 A 3 ALA A S S S- 0 0 -70.1 150.6 179.4 -82.3 71.6 108.0 0 0.0 0 0.0 0 0.0 0 0.0 6 14
4 A 4 MET M - 0 0 -52.1 133.8 -179.4 -114.9 52.5 102.0 0 0.0 0 0.0 0 0.0 0 0.0 5 18
5 A 5 ALA A - 0 0 -76.2 143.8 176.7 -119.9 20.8 117.0 0 0.0 0 0.0 0 0.0 0 0.0 8 27
6 A 6 LEU L E E Aa - 41 0 -79.9 138.0 179.4 -122.3 26.8 130.6 40 -2.8 42 -2.1 0 0.0 8 -0.9 11 42
7 A 7 LYS K E E Aa - 42 0 -86.9 107.4 -177.7 -166.1 31.5 140.2 0 0.0 62 -2.6 0 0.0 63 -1.7 12 42
8 A 8 VAL V E E Aab - 43 63 -103.1 110.6 177.8 -154.4 7.6 149.1 42 -2.6 44 -2.6 6 -0.9 0 0.0 13 58
9 A 9 GLY G E E Aab - 44 64 -79.9 137.3 -179.5 -157.2 12.9 128.9 63 -2.9 65 -3.0 0 0.0 0 0.0 14 56
10 A 10 VAL V E E Aab + 45 65 -122.8 131.1 -179.9 156.0 21.2 167.2 44 -2.2 46 -2.9 0 0.0 0 0.0 13 56
11 A 11 VAL V e + 0 0 -147.0 154.7 180.0 65.1 27.1 166.4 65 -1.7 0 0.0 0 0.0 0 0.0 15 60
12 A 12 GLY G - 0 0 125.3 178.2 -178.4 -86.8 61.6 126.5 0 0.0 0 0.0 0 0.0 0 0.0 11 64
13 A 13 ASN N t > > T - 0 0 -126.0 168.6 179.4 -32.4 56.9 136.8 0 0.0 17 -1.4 0 0.0 16 -1.4 9 62
14 A 14 PRO P T T 4 3 TS+ 0 0 -60.6 149.6 0.8 23.5 114.3 107.8 0 0.0 0 0.0 0 0.0 0 0.0 9 48
15 A 15 PRO P T T 4 3 TS+ 0 0 -88.6 8.8 -179.2 42.2 132.0 167.2 0 0.0 25 -2.2 0 0.0 0 0.0 12 49
16 A 16 PHE F T T 4 < TS+ 0 0 -79.5 -35.7 179.2 16.2 128.0 30.0 13 -1.4 26 -1.5 0 0.0 27 -0.9 14 60
17 A 17 VAL V t < T - 0 0 -143.3 131.5 177.8 -178.8 62.8 175.8 13 -1.4 0 0.0 0 0.0 0 0.0 17 53
18 A 18 PHE F E E BC - 23 0 -126.2 144.3 -179.8 -139.5 20.2 167.4 23 -2.3 23 -1.7 0 0.0 20 -0.6 12 42
19 A 19 TYR Y E E BC 22 0 -112.6 110.0 -179.8 999.9 999.9 154.3 0 0.0 0 0.0 0 0.0 0 0.0 6 29
20!A 20 GLY G e 0 0 -80.4 999.9 999.9 999.9 999.9 111.5 21 -1.7 0 0.0 18 -0.6 0 0.0 5 18
21!A 26 ALA A e 0 0 999.9 -46.8 179.0 999.9 999.9 999.9 0 0.0 20 -1.7 0 0.0 0 0.0 5 26
22 A 27 PHE F E E BC + 19 0 -140.3 128.0 179.1 151.2 999.9 171.2 0 0.0 0 0.0 0 0.0 0 0.0 9 34
23 A 28 THR T E E BC + 18 0 -142.9 176.7 179.6 89.5 18.4 149.3 18 -1.7 18 -2.3 0 0.0 0 0.0 12 37
24 A 29 GLY G S h > TS- 0 0 118.7 171.4 -178.9 -55.9 83.9 118.5 0 0.0 28 -2.3 0 0.0 0 0.0 12 45
25 A 30 ILE I H H > TS+ 0 0 -53.0 -47.7 -179.9 50.4 131.5 28.6 15 -2.2 29 -2.1 0 0.0 0 0.0 13 52
26 A 31 SER S H H > TS+ 0 0 -61.0 -40.3 178.8 48.1 111.9 27.1 16 -1.5 30 -2.5 0 0.0 0 0.0 12 64
27 A 32 LEU L H H > TS+ 0 0 -68.6 -35.8 178.3 53.4 109.3 31.5 16 -0.9 31 -2.8 0 0.0 0 0.0 13 58
28 A 33 ASP D H H X TS+ 0 0 -64.6 -40.8 179.6 47.4 110.7 27.7 24 -2.3 32 -1.8 0 0.0 0 0.0 10 52
29 A 34 VAL V H H X TS+ 0 0 -65.2 -50.9 179.9 44.4 115.4 15.6 25 -2.1 33 -1.9 0 0.0 0 0.0 12 63
30 A 35 TRP W H H X TS+ 0 0 -60.6 -47.6 -179.5 51.1 112.5 23.0 26 -2.5 34 -3.0 0 0.0 0 0.0 9 66
31 A 36 ARG R H H X TS+ 0 0 -59.9 -37.4 178.6 52.8 107.7 29.0 27 -2.8 35 -2.9 0 0.0 0 0.0 8 47
32 A 37 ALA A H H X TS+ 0 0 -64.2 -40.9 178.9 46.4 112.2 24.1 28 -1.8 36 -1.9 0 0.0 0 0.0 8 41
33 A 38 VAL V H H X TS+ 0 0 -64.3 -51.8 -179.4 45.6 114.9 14.6 29 -1.9 37 -1.0 0 0.0 0 0.0 11 48
34 A 39 ALA A H H < >>TS+ 0 0 -59.4 -42.9 -179.9 50.7 112.6 26.4 30 -3.0 39 -2.8 0 0.0 37 -0.7 11 43
35 A 40 GLU E H H < >5TS+ 0 0 -64.0 -39.0 -179.7 57.6 104.1 29.9 31 -2.9 38 -0.7 0 0.0 0 0.0 8 28
36 A 41 SER S H H < 35TS+ 0 0 -64.1 -22.9 -180.0 37.1 115.9 41.1 32 -1.9 0 0.0 0 0.0 0 0.0 8 27
37 A 42 GLN Q T h < <5TS- 0 0 -106.5 -1.5 -178.7 -121.9 109.5 65.4 33 -1.0 0 0.0 34 -0.7 0 0.0 6 30
38 A 43 LYS K T T <5T + 0 0 60.1 37.7 179.8 163.0 56.7 29.7 35 -0.7 0 0.0 0 0.0 0 0.0 7 22
39 A 44 TRP W t T - 0 0 -156.5 169.1 179.4 -102.2 68.7 163.2 0 0.0 52 -2.2 0 0.0 0 0.0 8 43
49 A 54 ILE I H H > TS+ 0 0 -65.3 -41.8 179.3 52.0 120.8 23.0 0 0.0 53 -2.8 0 0.0 0 0.0 12 53
50 A 55 SER S H H > TS+ 0 0 -60.6 -46.3 179.5 47.2 110.3 24.2 0 0.0 54 -2.1 0 0.0 0 0.0 7 50
51 A 56 ALA A H H > TS+ 0 0 -61.4 -42.9 179.6 49.7 113.7 24.6 0 0.0 55 -1.9 0 0.0 0 0.0 9 39
52 A 57 GLY G H H X TS+ 0 0 -64.0 -42.1 179.7 51.1 108.5 26.4 48 -2.2 56 -1.7 0 0.0 0 0.0 15 48
53 A 58 ILE I H H X TS+ 0 0 -63.8 -40.2 178.6 49.9 110.2 24.2 49 -2.8 57 -2.4 0 0.0 0 0.0 11 53
54 A 59 THR T H H X TS+ 0 0 -64.9 -38.1 179.4 54.7 107.4 28.2 50 -2.1 58 -2.6 0 0.0 0 0.0 8 43
55 A 60 ALA A H H < >TS+ 0 0 -64.8 -33.5 178.7 47.0 109.7 31.4 51 -1.9 60 -1.9 0 0.0 61 -1.6 10 39
56 A 61 VAL V H H < >5TS+ 0 0 -72.8 -42.5 179.6 47.7 113.5 22.5 52 -1.7 59 -1.2 0 0.0 0 0.0 16 52
57 A 62 ALA A H H < 35TS+ 0 0 -64.0 -36.9 -179.4 49.4 112.8 30.3 53 -2.4 0 0.0 0 0.0 0 0.0 13 36
58 A 63 GLU E T h < 35TS- 0 0 -84.0 1.5 179.3 -114.0 117.1 67.1 54 -2.6 0 0.0 0 0.0 0 0.0 8 28
59 A 64 GLY G T T <5TS+ 0 0 79.5 4.8 179.1 117.8 85.5 59.0 56 -1.2 0 0.0 0 0.0 0 0.0 8 32
60 A 65 GLU E S t T - 0 0 -121.5 158.9 179.7 -116.3 48.0 149.1 69 -0.9 75 -2.7 0 0.0 0 0.0 7 40
72 A 77 PRO P H H > TS+ 0 0 -57.4 -43.3 -179.8 52.3 115.9 27.5 0 0.0 76 -1.2 0 0.0 0 0.0 6 28
73 A 78 GLU E H H 4 TS+ 0 0 -64.0 -38.8 179.1 42.7 113.6 30.3 0 0.0 0 0.0 0 0.0 0 0.0 6 28
74 A 79 ARG R H H 4 > TS+ 0 0 -75.7 -38.6 179.8 54.1 110.9 27.7 0 0.0 77 -1.4 0 0.0 0 0.0 7 42
75 A 80 ALA A H H < 3 TS+ 0 0 -66.2 -21.6 -179.8 60.3 103.5 42.8 71 -2.7 0 0.0 0 0.0 0 0.0 10 36
76 A 81 ALA A T h < 3 TS+ 0 0 -82.7 -10.9 179.9 114.9 76.0 56.3 72 -1.2 0 0.0 0 0.0 0 0.0 6 23
77 A 82 ILE I S t X TS- 0 0 -64.5 126.8 -179.8 -111.8 75.0 117.2 74 -1.4 80 -1.3 0 0.0 0 0.0 7 32
78 A 83 GLU E T T 3 TS+ 0 0 -62.5 137.0 177.4 20.3 93.5 107.9 0 0.0 0 0.0 0 0.0 0 0.0 5 27
79 A 84 GLY G T e 3 TS+ 0 0 88.6 -0.6 179.5 90.5 104.6 63.4 0 0.0 191 -2.3 0 0.0 0 0.0 8 33
80 A 85 ILE I E E AE < T - 190 0 -127.8 164.8 178.3 -171.5 46.0 148.3 77 -1.3 0 0.0 0 0.0 0 0.0 13 44
81 A 86 THR T E E AE - 189 0 -151.0 140.4 178.5 -125.2 22.7 168.2 189 -2.2 189 -2.8 0 0.0 0 0.0 10 47
82 A 87 PHE F E E AE - 188 0 -86.4 151.4 175.6 -126.7 21.4 126.0 0 0.0 0 0.0 0 0.0 0 0.0 11 54
83 A 88 THR T e - 0 0 -80.5 176.1 175.0 -71.7 50.6 109.2 187 -2.2 0 0.0 0 0.0 0 0.0 11 53
84 A 89 GLN Q - 0 0 -64.2 144.2 179.8 -96.1 67.0 114.1 0 0.0 0 0.0 0 0.0 0 0.0 9 47
85 A 90 PRO P - 0 0 -67.4 148.6 -178.8 -169.2 33.8 112.6 0 0.0 0 0.0 0 0.0 0 0.0 11 48
86 A 91 TYR Y + 0 0 -115.3 -3.1 -179.1 31.5 68.7 66.4 185 -2.4 0 0.0 0 0.0 0 0.0 11 51
87 A 92 PHE F E E AF - 185 0 -157.6 143.4 178.8 -141.9 62.5 170.0 185 -0.9 185 -2.7 0 0.0 89 -0.6 7 56
88 A 93 SER S E E AF + 184 0 -110.0 110.2 -177.9 176.5 34.5 160.6 0 0.0 0 0.0 0 0.0 0 0.0 9 40
89 A 94 SER S E E AF - 183 0 -111.1 172.1 179.2 -140.2 20.3 124.7 183 -2.9 183 -2.5 87 -0.6 0 0.0 11 47
90 A 95 GLY G E E AF - 182 0 -131.9 149.8 178.1 -128.5 15.0 162.0 0 0.0 158 -3.1 0 0.0 92 -0.6 12 44
91 A 96 ILE I E E AFG + 181 157 -97.7 123.5 -179.0 168.6 43.2 154.4 181 -2.0 180 -2.3 0 0.0 181 -0.8 14 55
92 A 97 GLY G E E A G - 0 156 -121.5 -162.4 -179.3 -105.7 29.5 119.5 156 -2.7 156 -1.6 90 -0.6 0 0.0 16 58
93 A 98 LEU L E E A G - 0 155 -136.6 136.2 178.1 -154.9 11.3 174.2 0 0.0 176 -2.3 0 0.0 0 0.0 14 67
94 A 99 LEU L E E AHG + 175 154 -108.3 126.0 -179.2 162.2 29.4 159.2 154 -2.6 154 -2.0 0 0.0 0 0.0 13 67
95 A 100 ILE I E E AH - 174 0 -139.4 167.2 179.2 -83.8 44.4 152.1 174 -3.0 174 -3.2 0 0.0 0 0.0 14 58
96 A 101 PRO P E E AH > T - 173 0 -70.4 149.6 -179.8 -115.4 43.8 117.7 0 0.0 99 -1.6 0 0.0 0 0.0 12 44
97 A 102 GLY G G e > TS+ 0 0 -55.7 -28.3 -179.9 57.9 115.1 38.0 172 -1.7 100 -0.9 0 0.0 0 0.0 8 31
98 A 103 THR T G G 3 TS+ 0 0 -75.6 -19.5 -178.5 61.3 98.0 45.3 0 0.0 0 0.0 0 0.0 0 0.0 5 23
99 A 104 ALA A G G > X T + 0 0 -90.5 5.0 -179.6 107.3 67.8 69.0 96 -1.6 102 -1.3 0 0.0 103 -0.8 8 32
100 A 105 THR T T g 4 < TS+ 0 0 -54.0 -35.3 179.6 57.0 74.9 36.4 97 -0.9 0 0.0 0 0.0 0 0.0 11 27
101 A 106 PRO P T T 4 3 TS+ 0 0 -67.3 -26.2 -178.4 55.7 104.0 35.9 0 0.0 0 0.0 0 0.0 0 0.0 6 25
102 A 107 LEU L T T 4 < TS+ 0 0 -77.8 -25.5 -178.8 57.9 101.0 43.7 99 -1.3 104 -0.7 0 0.0 0 0.0 6 31
103 A 108 PHE F t < T + 0 0 -114.2 90.4 -178.4 128.0 56.1 140.2 99 -0.8 0 0.0 0 0.0 0 0.0 11 38
104 A 109 ARG R S S S+ 0 0 -115.3 -13.2 179.6 6.8 74.5 59.1 102 -0.7 0 0.0 0 0.0 0 0.0 10 29
105 A 110 SER S S g > TS- 0 0 -161.4 168.2 179.7 -97.1 78.0 166.8 0 0.0 108 -1.3 0 0.0 0 0.0 7 33
106 A 111 VAL V G G > TS+ 0 0 -63.8 -26.2 178.7 67.8 117.6 38.3 0 0.0 109 -1.7 0 0.0 0 0.0 11 43
107 A 112 GLY G G G > TS+ 0 0 -64.0 -25.1 180.0 63.3 90.5 38.4 0 0.0 110 -0.9 0 0.0 0 0.0 6 30
108 A 113 ASP D G G < TS+ 0 0 -76.5 -7.1 -179.9 73.3 86.9 57.6 105 -1.3 0 0.0 0 0.0 0 0.0 9 37
109 A 114 LEU L G G X T + 0 0 -77.0 -26.9 -179.7 114.7 67.2 41.2 106 -1.7 112 -1.8 0 0.0 0 0.0 13 47
110 A 115 LYS K T g < TS- 0 0 -51.9 119.2 179.5 -7.2 93.9 104.5 107 -0.9 0 0.0 0 0.0 0 0.0 10 33
111 A 116 ASN N T T 3 TS+ 0 0 75.3 -7.0 178.8 131.0 99.1 72.6 130 -2.4 0 0.0 0 0.0 0 0.0 7 28
112 A 117 LYS K e < T - 0 0 -77.1 140.9 -179.9 -108.5 69.6 124.1 109 -1.8 132 -2.7 0 0.0 114 -0.8 11 42
113 A 118 GLU E E E Ai - 132 0 -71.6 107.6 -179.6 -174.3 45.6 126.7 0 0.0 152 -2.8 0 0.0 153 -1.0 12 47
114 A 119 VAL V E E Aij - 133 153 -113.9 128.5 178.6 -147.6 16.3 157.6 132 -1.3 134 -2.7 112 -0.8 0 0.0 15 60
115 A 120 ALA A E E Aij + 134 154 -90.4 136.5 179.7 175.6 22.8 137.4 153 -2.9 155 -2.6 0 0.0 0 0.0 17 56
116 A 121 VAL V E E Ai - 135 0 -139.5 154.6 179.2 -113.1 32.0 163.4 134 -2.1 136 -2.2 0 0.0 0 0.0 17 54
117 A 122 VAL V E E Ai > T - 136 0 -90.0 134.5 -179.1 -102.9 44.5 139.5 0 0.0 120 -0.7 0 0.0 0 0.0 14 51
118 A 123 ARG R T e 3 TS+ 0 0 -57.1 147.2 179.4 17.1 99.3 100.2 136 -2.9 0 0.0 0 0.0 0 0.0 9 38
119 A 124 ASP D T T 3 TS+ 0 0 59.1 37.2 176.0 117.9 96.2 32.7 0 0.0 0 0.0 0 0.0 0 0.0 8 44
120 A 125 THR T S h > X TS- 0 0 -125.1 159.0 -179.3 -112.0 79.5 154.6 117 -0.7 123 -1.5 0 0.0 124 -0.6 10 60
121 A 126 THR T H H > 3 TS+ 0 0 -60.8 -24.2 179.5 74.4 111.6 38.5 0 0.0 125 -2.0 0 0.0 0 0.0 7 57
122 A 127 ALA A H H > 3 TS+ 0 0 -58.5 -32.2 179.3 62.2 86.3 36.0 0 0.0 126 -2.6 0 0.0 0 0.0 12 62
123 A 128 VAL V H H > < TS+ 0 0 -59.4 -46.0 -179.5 42.0 108.2 18.1 120 -1.5 127 -1.7 0 0.0 0 0.0 13 46
124 A 129 ASP D H H X TS+ 0 0 -70.1 -38.3 179.0 49.8 114.6 30.5 120 -0.6 128 -2.4 0 0.0 0 0.0 8 42
125 A 130 TRP W H H X TS+ 0 0 -68.4 -38.1 179.7 51.0 110.0 27.8 121 -2.0 129 -2.1 0 0.0 0 0.0 9 50
126 A 131 ALA A H H < >TS+ 0 0 -66.0 -39.0 178.4 45.7 113.2 28.2 122 -2.6 131 -2.4 0 0.0 0 0.0 15 49
127 A 132 ASN N H H < >5TS+ 0 0 -69.7 -41.1 179.8 53.2 111.0 24.9 123 -1.7 130 -1.5 0 0.0 0 0.0 10 36
128 A 133 PHE F H H < 35TS+ 0 0 -62.1 -37.5 179.6 48.6 109.0 31.3 124 -2.4 0 0.0 0 0.0 0 0.0 7 30
129 A 134 TYR Y T h < 35TS- 0 0 -87.8 12.1 177.7 -116.8 116.1 73.6 125 -2.1 0 0.0 0 0.0 0 0.0 10 38
130 A 135 GLN Q T T <5T + 0 0 59.2 34.0 177.9 157.0 57.7 40.8 127 -1.5 111 -2.4 0 0.0 0 0.0 9 27
131 A 136 ALA A t TS- 0 0 -157.8 170.5 -178.8 -95.9 75.5 163.2 0 0.0 142 -2.0 0 0.0 0 0.0 8 40
139 A 144 LEU L H H > TS+ 0 0 -62.1 -39.3 179.4 55.6 120.4 28.9 0 0.0 143 -2.6 0 0.0 0 0.0 9 56
140 A 145 THR T H H > TS+ 0 0 -59.5 -43.1 179.1 48.4 109.0 22.9 0 0.0 144 -2.4 0 0.0 0 0.0 6 40
141 A 146 ALA A H H > TS+ 0 0 -63.8 -42.2 179.1 49.7 111.1 27.6 0 0.0 145 -1.5 0 0.0 0 0.0 9 33
142 A 147 ALA A H H X TS+ 0 0 -64.4 -41.0 180.0 44.7 114.4 26.3 138 -2.0 146 -0.7 0 0.0 0 0.0 15 47
143 A 148 ILE I H H X TS+ 0 0 -73.6 -31.7 178.1 56.7 108.4 32.6 139 -2.6 147 -2.3 0 0.0 0 0.0 10 54
144 A 149 THR T H H X TS+ 0 0 -66.7 -30.3 179.0 53.2 105.2 33.6 140 -2.4 148 -1.3 0 0.0 0 0.0 8 37
145 A 150 LEU L H H < >TS+ 0 0 -73.8 -25.8 178.7 48.6 109.4 44.6 141 -1.5 151 -1.3 0 0.0 150 -0.6 11 36
146 A 151 LEU L H H < 5TS+ 0 0 -80.5 -37.2 179.5 53.5 107.8 34.4 142 -0.7 0 0.0 0 0.0 0 0.0 15 46
147 A 152 GLN Q H H < 5TS+ 0 0 -67.1 -31.3 175.8 42.2 116.4 36.5 143 -2.3 0 0.0 0 0.0 0 0.0 6 34
148 A 153 LYS K T h < 5TS- 0 0 -80.5 -121.6 178.1 -108.9 111.8 57.7 144 -1.3 0 0.0 0 0.0 0 0.0 7 25
149 A 154 LYS K T T 5TS+ 0 0 -157.1 4.9 -179.0 110.9 83.2 66.5 0 0.0 0 0.0 0 0.0 0 0.0 7 28
150 A 155 GLN Q S t AG T - 91 0 -51.0 128.3 -178.8 -130.5 51.7 105.4 0 0.0 161 -1.8 0 0.0 0 0.0 11 64
158 A 163 ARG R H H > TS+ 0 0 -52.9 -45.4 -180.0 53.8 101.6 32.5 90 -3.1 162 -2.7 0 0.0 0 0.0 12 55
159 A 164 PRO P H H > TS+ 0 0 -61.0 -38.4 179.6 48.3 110.4 26.1 0 0.0 163 -2.4 0 0.0 0 0.0 10 57
160 A 165 ALA A H H > TS+ 0 0 -67.7 -38.2 179.3 49.1 112.2 28.4 0 0.0 164 -2.1 0 0.0 0 0.0 12 61
161 A 166 LEU L H H X TS+ 0 0 -66.8 -43.9 179.1 47.1 112.7 23.5 157 -1.8 165 -2.3 0 0.0 0 0.0 13 57
162 A 167 ILE I H H X TS+ 0 0 -64.0 -42.9 179.8 51.8 110.9 24.2 158 -2.7 166 -2.0 0 0.0 0 0.0 9 47
163 A 168 TYR Y H H X TS+ 0 0 -60.5 -42.4 -179.7 51.2 109.5 22.1 159 -2.4 167 -0.7 0 0.0 0 0.0 11 45
164 A 169 TYR Y H H X > TS+ 0 0 -60.2 -51.4 179.8 50.1 107.8 20.8 160 -2.1 167 -1.5 0 0.0 168 -0.9 8 47
165 A 170 THR T H H < > TS+ 0 0 -57.0 -34.9 -179.9 57.6 107.0 28.6 161 -2.3 168 -0.8 0 0.0 0 0.0 12 42
166 A 171 ARG R H H < 3 TS+ 0 0 -70.7 -18.3 178.2 48.3 105.5 48.2 162 -2.0 0 0.0 0 0.0 0 0.0 7 25
167 A 172 GLN Q H H < < TS+ 0 0 -94.2 -11.0 -179.1 38.2 121.1 57.4 164 -1.5 0 0.0 163 -0.7 0 0.0 6 27
168 A 173 ASN N h < X T + 0 0 -137.8 61.5 179.7 152.2 59.6 116.3 164 -0.9 171 -1.3 165 -0.8 0 0.0 8 26
169 A 174 PRO P G G > TS+ 0 0 -60.8 -26.8 179.1 68.4 74.2 38.1 0 0.0 172 -0.9 0 0.0 0 0.0 8 20
170 A 175 ASN N G G 3 TS+ 0 0 -61.0 -32.2 -178.0 68.2 86.8 38.0 0 0.0 0 0.0 0 0.0 0 0.0 4 16
171 A 176 LEU L G G < TS- 0 0 -64.7 -28.9 178.8 -141.9 90.0 43.8 168 -1.3 0 0.0 0 0.0 0 0.0 6 28
172 A 177 ASN N e < T + 0 0 67.8 36.0 177.5 150.5 45.7 27.4 169 -0.9 97 -1.7 0 0.0 0 0.0 9 28
173 A 178 LEU L E E AH - 96 0 -97.9 151.6 -178.9 -151.4 30.3 138.3 0 0.0 0 0.0 0 0.0 0 0.0 10 45
174 A 179 GLU E E E AH - 95 0 -131.1 142.3 178.0 -138.6 14.0 167.2 95 -3.2 95 -3.0 0 0.0 176 -0.7 10 43
175 A 180 VAL V E E AH - 94 0 -95.9 116.1 -179.0 -131.9 34.7 150.7 0 0.0 0 0.0 0 0.0 0 0.0 11 48
176 A 181 THR T e - 0 0 -62.9 167.7 178.5 -117.7 14.3 94.3 93 -2.3 0 0.0 174 -0.7 0 0.0 11 44
177 A 182 GLU E S S S+ 0 0 -82.2 -8.6 179.8 116.7 80.7 56.3 0 0.0 0 0.0 0 0.0 0 0.0 6 38
178 A 183 ILE I - 0 0 -65.3 129.6 177.2 -162.0 50.9 114.7 0 0.0 180 -0.7 0 0.0 0 0.0 10 40
179 A 184 ARG R - 0 0 -114.8 102.5 179.9 -173.0 6.2 160.8 0 0.0 0 0.0 0 0.0 0 0.0 10 40
180 A 185 VAL V S S S- 0 0 -64.6 -28.7 179.9 -18.3 71.5 36.5 91 -2.3 0 0.0 178 -0.7 0 0.0 9 48
181 A 186 SER S E E A F - 0 91 -169.4 164.6 176.6 -124.5 55.4 168.3 91 -0.8 91 -2.0 0 0.0 0 0.0 7 39
182 A 187 LEU L E E A F + 0 90 -120.3 123.4 -178.3 176.9 36.4 174.2 0 0.0 0 0.0 0 0.0 0 0.0 9 35
183 A 188 GLU E E E A F - 0 89 -134.7 138.0 179.2 -132.5 24.6 174.9 89 -2.5 89 -2.9 0 0.0 0 0.0 11 39
184 A 189 PRO P E E A F - 0 88 -86.3 147.6 177.8 -137.0 20.0 125.5 0 0.0 70 -2.4 0 0.0 0 0.0 12 42
185 A 190 TYR Y E E ADF + 69 87 -103.6 138.9 177.8 161.1 31.5 154.1 87 -2.7 86 -2.4 0 0.0 87 -0.9 14 58
186 A 191 GLY G E E AD - 68 0 -144.9 175.1 177.2 -109.4 36.1 146.9 68 -2.5 68 -0.7 0 0.0 0 0.0 16 60
187 A 192 PHE F E E A* - 0 0 -104.2 160.9 -179.3 -123.9 32.0 137.3 0 0.0 83 -2.2 0 0.0 0 0.0 14 72
188 A 193 VAL V E E ADE + 64 82 -114.9 128.2 179.7 175.9 29.5 158.8 64 -2.5 64 -2.1 0 0.0 0 0.0 13 68
189 A 194 LEU L E E ADE - 63 81 -119.5 167.8 176.9 -88.6 41.0 138.2 81 -2.8 81 -2.2 0 0.0 0 0.0 14 56
190 A 195 LYS K E E A E> T - 0 80 -72.6 142.8 178.7 -92.2 60.7 121.7 62 -0.6 193 -1.6 0 0.0 0 0.0 13 45
191 A 196 GLU E T e 3 TS+ 0 0 -58.3 139.7 180.0 10.5 111.5 106.5 79 -2.3 0 0.0 0 0.0 0 0.0 8 35
192 A 197 ASN N T T 3 TS+ 0 0 60.0 29.2 179.4 176.8 91.2 40.5 0 0.0 0 0.0 0 0.0 0 0.0 6 26
193 A 198 SER S t X T - 0 0 -66.1 136.1 179.5 -135.4 37.0 112.3 190 -1.6 196 -1.3 0 0.0 0 0.0 7 32
194 A 199 PRO P T T 3 TS+ 0 0 -68.7 -5.1 179.9 57.8 106.3 56.1 0 0.0 0 0.0 0 0.0 0 0.0 5 26
195 A 200 LEU L T h > 3 TS+ 0 0 -96.3 -19.0 -177.4 91.1 80.8 52.1 0 0.0 199 -2.6 0 0.0 0 0.0 6 42
196 A 201 GLN Q H H > < TS+ 0 0 -45.5 -54.6 -178.5 44.1 86.0 30.7 193 -1.3 200 -2.8 0 0.0 0 0.0 10 35
197 A 202 LYS K H H > TS+ 0 0 -63.3 -44.9 -179.9 48.3 115.1 21.9 0 0.0 201 -2.7 0 0.0 0 0.0 7 28
198 A 203 THR T H H > TS+ 0 0 -60.9 -45.2 -180.0 46.5 114.5 23.1 0 0.0 202 -2.3 0 0.0 0 0.0 7 35
199 A 204 ILE I H H X TS+ 0 0 -64.2 -47.7 179.0 47.9 113.4 20.3 195 -2.6 203 -2.7 0 0.0 0 0.0 10 48
200 A 205 ASN N H H X TS+ 0 0 -59.6 -47.3 -179.8 50.1 111.7 20.9 196 -2.8 204 -2.6 0 0.0 0 0.0 10 41
201 A 206 VAL V H H X TS+ 0 0 -58.1 -46.0 -180.0 44.9 114.1 20.4 197 -2.7 205 -2.1 0 0.0 0 0.0 8 33
202 A 207 GLU E H H X TS+ 0 0 -67.4 -39.1 179.2 49.6 112.5 28.3 198 -2.3 206 -2.2 0 0.0 0 0.0 10 36
203 A 208 MET M H H X TS+ 0 0 -67.0 -37.5 178.8 50.2 111.6 25.1 199 -2.7 207 -2.1 0 0.0 0 0.0 12 49
204 A 209 LEU L H H X TS+ 0 0 -67.2 -37.3 178.0 51.6 109.2 28.0 200 -2.6 208 -2.9 0 0.0 0 0.0 10 34
205 A 210 ASN N H H X TS+ 0 0 -62.6 -46.9 179.7 47.3 111.2 23.3 201 -2.1 209 -2.0 0 0.0 0 0.0 8 33
206 A 211 LEU L H H < >TS+ 0 0 -61.8 -38.0 -179.9 49.0 114.2 29.8 202 -2.2 212 -1.6 0 0.0 211 -1.4 11 37
207 A 212 LEU L H H < >5TS+ 0 0 -66.7 -56.8 -179.3 41.2 114.6 13.6 203 -2.1 210 -1.4 0 0.0 0 0.0 11 36
208 A 213 TYR Y H H < 35TS+ 0 0 -65.3 -28.9 179.2 56.3 110.9 40.9 204 -2.9 0 0.0 0 0.0 0 0.0 7 24
209 A 214 SER S T h < 35TS- 0 0 -83.5 2.1 179.7 -120.4 112.8 65.3 205 -2.0 0 0.0 0 0.0 0 0.0 7 20
210 A 215 ARG R T h > <5TS+ 0 0 69.0 14.1 179.4 127.5 77.5 54.8 207 -1.4 214 -1.7 0 0.0 0 0.0 8 24
211 A 216 VAL V H H > TS+ 0 0 -64.4 -36.6 178.6 54.0 107.2 26.4 206 -1.6 216 -2.4 0 0.0 0 0.0 12 44
213 A 218 ALA A H H > TS+ 0 0 -63.8 -38.3 178.8 51.6 107.0 26.5 0 0.0 217 -2.7 0 0.0 0 0.0 8 34
214 A 219 GLU E H H X TS+ 0 0 -64.8 -41.3 178.9 50.6 108.6 25.3 210 -1.7 218 -1.8 0 0.0 0 0.0 8 28
215 A 220 PHE F H H X TS+ 0 0 -60.7 -47.4 -179.8 46.6 112.6 21.5 211 -2.1 219 -1.0 0 0.0 0 0.0 11 39
216 A 221 THR T H H X > TS+ 0 0 -62.1 -43.9 179.6 53.4 109.7 23.3 212 -2.4 220 -2.4 0 0.0 219 -0.8 10 42
217 A 222 GLU E H H X 3 TS+ 0 0 -61.7 -32.6 179.8 59.7 102.6 33.2 213 -2.7 221 -2.1 0 0.0 0 0.0 8 25
218 A 223 ARG R H H < 3 TS+ 0 0 -66.3 -30.2 -179.2 29.7 117.7 33.7 214 -1.8 0 0.0 0 0.0 0 0.0 7 26
219 A 224 TRP W H H < < TS+ 0 0 -103.7 -16.6 -176.8 15.6 140.1 48.7 215 -1.0 0 0.0 216 -0.8 0 0.0 9 35
220 A 225 LEU L H H < T 0 0 -142.6 10.3 -179.9 999.9 999.9 72.9 216 -2.4 0 0.0 0 0.0 0 0.0 8 33
221 A 226 GLY G h < T 0 0 -82.0 999.9 999.9 999.9 999.9 124.2 217 -2.1 0 0.0 0 0.0 0 0.0 5 25
1ii5A.pdb
1II5 MEMBRANE PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S EEEEE TTT EE EESHHHHHHHHHHHHTT EEEEE S HHHHHHHHHTTS SEEEEEEE HHHHTSTTEEE EEEEEEEEEEGGGT Kabs/Sand
chirality +-------++--+++-- ++-++++++++++++-+----------+++++++++-++-+--+-+--+-+++++-++------+-+--+--+--++++ chirality
bends S SSS SSSSSSSSSSSSSS S SSSSSSSSSSSS S SS SSSSSSSS SS S bends
turns TTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTT TTTTTTTTTT TTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >>3<< >33< >33X33< >>3X< 3-turns
bridge-2 bbb DD***DD GGGG bridge-2
bridge-1 aaaaa CC CC aaaaa bbb EEE FFFFF HHH bridge-1
sheets AAAAA BB BB AAAAA AAAAAAA AAA AAAAAAAAAA sheets
4-turns >444< >>>>XXXXXX<<<< >>>>XXX<<<< >>44<< >4 4-turns
summary S EEEEEe tTTTtEEeeEEhHHHHHHHHHHHHhTteEEEEEeShHHHHHHHHHhTt eEEEEEEEehHHHHhtTeEEEe EEEEEEEEEEeGGg summary
sequence GSAMALKVGVVGNPPFVFYGAFTGISLDVWRAVAESQKWNSEYVRQNSISAGITAVAEGELDILIGPISVTPERAAIEGITFTQPYFSSGIGLLIPGTAT sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand TT SSGGGGTT EEEEETTSHHHHHHHHTT EEEEESSHHHHHHHHHTTS SEEEEEHHHHHHHHHH GGG EEE S SEEEEEEEEEETT TTHHHHH Kabs/Sand
chirality ++++-++++-+---+--++-++++++++-+--------+++++++++-++-+--+--+++++++++++++-+----+----+--+--+--++-+++++++ chirality
bends SS SSSSS SS SSSSSSSSSSSS SSSSSSSSSSSSSS S SSSSSSSSSS SSS S S SS SSSSSSS bends
turns TTT TTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns 3< >>>33X33< >33< >>33<< >33X33< 3-turns
bridge-2 jj jj FFFFF EEE bridge-2
bridge-1 iiiii iiiii GGGG HHH DD*DD bridge-1
sheets AAAAA AAAAA AAAAA AAA AAAAAAAAAA sheets
4-turns 44< >>>>XX<<<< >>>>XXX<<<< >>>>XXXX<<<< >>>>XX 4-turns
summary TTtSgGGGGgTeEEEEEeThHHHHHHHHhTtEEEEEShHHHHHHHHHhTt SEEEEEHHHHHHHHHHhGGGeEEEeS SEEEEEEEEEEeTtThHHHHH summary
sequence PLFRSVGDLKNKEVAVVRDTTAVDWANFYQADVRETNNLTAAITLLQKKQVEAVMFDRPALIYYTRQNPNLNLEVTEIRVSLEPYGFVLKENSPLQKTIN sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHTTHHHHHHHHHH Kabs/Sand
chirality ++++++++-++++++++++ chirality
bends SSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXX<<<<>>>>XXXX<<<< 4-turns
summary HHHHHHHHhhHHHHHHHHHHh summary
sequence VEMLNLLYSRVIAEFTERWLG sequence
210 220
Messages
chain break between 20(A 20 ) and 21(A 26 )