Secondary structure calculation program - copyright by David Keith Smith, 1989
1j4nA.pdb
1J4N MEMBRANE PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 249
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 MET M 0 0 999.9 135.2 179.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 20
2 A 2 ALA A + 0 0 -135.0 57.8 -179.7 102.0 999.9 114.6 0 0.0 0 0.0 0 0.0 0 0.0 5 16
3 A 3 SER S S t > TS- 0 0 -135.6 171.8 -179.6 -7.4 70.3 147.7 0 0.0 6 -2.3 0 0.0 0 0.0 6 11
4 A 4 GLU E T T > TS- 0 0 39.9 -139.8 -179.0 -18.5 125.7 89.6 0 0.0 7 -1.1 0 0.0 0 0.0 6 11
5 A 5 PHE F T h > 3 TS+ 0 0 -78.4 10.2 178.2 99.5 109.6 71.2 0 0.0 9 -2.3 0 0.0 0 0.0 6 13
6 A 6 LYS K H H > < TS+ 0 0 -66.0 -13.4 178.0 53.3 87.2 47.2 3 -2.3 10 -0.7 0 0.0 0 0.0 9 19
7 A 7 LYS K H H > < TS+ 0 0 -80.3 -53.9 179.3 49.7 106.9 22.3 4 -1.1 11 -2.4 0 0.0 0 0.0 9 21
8 A 8 LYS K H H > TS+ 0 0 -47.3 -69.8 -179.7 48.8 108.7 18.0 0 0.0 12 -3.0 0 0.0 0 0.0 8 20
9 A 9 LEU L H H X TS+ 0 0 -40.1 -49.4 179.7 52.4 112.2 29.5 5 -2.3 13 -1.8 0 0.0 0 0.0 9 29
10 A 10 PHE F H H X > TS+ 0 0 -53.9 -62.5 -180.0 41.9 111.9 14.1 6 -0.7 14 -2.0 0 0.0 13 -0.8 9 38
11 A 11 TRP W H H X 3 TS+ 0 0 -56.1 -35.9 179.6 59.3 109.9 30.7 7 -2.4 15 -3.2 0 0.0 0 0.0 8 36
12 A 12 ARG R H H X 3 TS+ 0 0 -61.2 -35.1 178.5 47.9 107.6 29.7 8 -3.0 16 -2.6 0 0.0 0 0.0 10 31
13 A 13 ALA A H H X < TS+ 0 0 -65.9 -67.6 179.1 46.9 111.4 3.0 9 -1.8 17 -3.9 10 -0.8 0 0.0 11 44
14 A 14 VAL V H H X TS+ 0 0 -38.4 -50.3 179.7 46.1 117.3 30.0 10 -2.0 18 -1.3 0 0.0 0 0.0 13 46
15 A 15 VAL V H H X TS+ 0 0 -63.3 -45.6 179.3 46.1 113.6 24.7 11 -3.2 19 -3.4 0 0.0 0 0.0 9 41
16 A 16 ALA A H H X TS+ 0 0 -64.4 -36.1 179.3 51.9 113.1 28.4 12 -2.6 20 -2.7 0 0.0 0 0.0 11 43
17 A 17 GLU E H H X TS+ 0 0 -68.3 -27.8 -179.8 46.3 112.8 38.4 13 -3.9 21 -0.8 0 0.0 0 0.0 16 55
18 A 18 PHE F H H X TS+ 0 0 -81.7 -46.0 179.7 43.1 115.0 25.2 14 -1.3 22 -1.1 0 0.0 0 0.0 14 52
19 A 19 LEU L H H X > TS+ 0 0 -66.3 -43.3 -179.6 54.5 111.9 21.9 15 -3.4 23 -1.6 0 0.0 22 -0.5 9 49
20 A 20 ALA A H H X 3 TS+ 0 0 -59.8 -34.3 179.5 56.4 103.3 33.6 16 -2.7 24 -2.4 0 0.0 0 0.0 12 55
21 A 21 MET M H H X 3 TS+ 0 0 -67.3 -31.5 -179.7 57.3 102.3 32.0 17 -0.8 25 -2.4 0 0.0 0 0.0 13 68
22 A 22 ILE I H H X < TS+ 0 0 -63.4 -51.1 179.8 42.2 109.6 14.6 18 -1.1 26 -2.6 19 -0.5 0 0.0 12 54
23 A 23 LEU L H H X TS+ 0 0 -59.7 -44.5 -179.6 56.9 112.7 21.8 19 -1.6 27 -3.0 0 0.0 0 0.0 10 50
24 A 24 PHE F H H X TS+ 0 0 -49.9 -65.4 -179.5 35.4 113.5 15.9 20 -2.4 28 -3.0 0 0.0 0 0.0 12 63
25 A 25 ILE I H H X >TS+ 0 0 -59.3 -46.0 -179.3 53.4 116.9 24.5 21 -2.4 29 -1.8 0 0.0 30 -1.0 13 70
26 A 26 PHE F H H X 5TS+ 0 0 -56.2 -49.0 -179.7 39.3 116.1 19.4 22 -2.6 30 -0.7 0 0.0 0 0.0 12 52
27 A 27 ILE I H H X 5TS+ 0 0 -64.1 -56.2 -178.2 41.0 122.0 13.2 23 -3.0 31 -1.9 0 0.0 0 0.0 11 48
28 A 28 SER S H H X 5TS+ 0 0 -62.0 -60.8 178.5 35.3 122.3 17.6 24 -3.0 32 -2.4 0 0.0 0 0.0 12 66
29 A 29 ILE I H H X 5TS+ 0 0 -62.7 -30.5 178.5 61.4 115.9 28.7 25 -1.8 33 -2.1 0 0.0 0 0.0 11 69
30 A 30 GLY G H H X TS+ 0 0 -73.0 -43.7 -180.0 56.5 109.6 25.0 27 -1.9 34 -0.8 0 0.0 0 0.0 11 47
32 A 32 ALA A H H < > TS+ 0 0 -58.0 -37.0 -179.1 47.4 107.6 33.8 28 -2.4 35 -0.6 0 0.0 0 0.0 12 55
33 A 33 LEU L H H < > TS+ 0 0 -81.3 -13.3 -178.3 89.0 89.7 49.7 29 -2.1 36 -1.5 0 0.0 0 0.0 10 50
34 A 34 GLY G G h < X TS+ 0 0 -57.8 -24.7 -178.6 63.3 75.2 44.4 31 -0.8 37 -1.0 30 -0.5 0 0.0 7 40
35 A 35 PHE F G G < TS+ 0 0 -74.3 -23.0 178.0 71.7 87.2 39.0 32 -0.6 0 0.0 0 0.0 0 0.0 11 34
36 A 36 HIS H G G < TS+ 0 0 -71.7 15.3 -177.6 101.0 76.9 75.3 33 -1.5 0 0.0 0 0.0 0 0.0 9 37
37 A 37 TYR Y g < T + 0 0 -108.5 60.8 178.6 101.1 31.2 112.0 34 -1.0 0 0.0 0 0.0 0 0.0 6 30
38 A 38 PRO P + 0 0 -105.4 -6.9 -178.8 148.3 59.5 68.7 0 0.0 0 0.0 0 0.0 0 0.0 7 21
39 A 39 ILE I + 0 0 -33.9 138.4 178.5 154.1 19.8 79.8 0 0.0 0 0.0 0 0.0 0 0.0 7 22
40 A 40 LYS K S S S- 0 0 -164.2 43.9 -180.0 -79.1 79.1 96.5 0 0.0 0 0.0 0 0.0 0 0.0 4 15
41 A 41 SER S S S S+ 0 0 62.8 12.4 179.7 100.6 108.7 52.8 0 0.0 0 0.0 0 0.0 0 0.0 4 14
42 A 42 ASN N - 0 0 -110.7 -167.1 -179.9 -143.7 64.7 110.2 0 0.0 0 0.0 0 0.0 0 0.0 5 14
43 A 43 GLN Q + 0 0 -162.8 66.4 -179.9 136.9 41.1 107.0 0 0.0 0 0.0 0 0.0 0 0.0 5 15
44 A 44 THR T - 0 0 -124.3 115.0 180.0 -52.4 67.3 163.2 0 0.0 0 0.0 0 0.0 0 0.0 4 14
45 A 45 THR T - 0 0 51.7 -168.3 -179.8 -118.9 65.3 85.0 0 0.0 0 0.0 0 0.0 0 0.0 4 15
46 A 46 GLY G - 0 0 -163.2 163.8 -179.5 -93.3 14.5 173.4 0 0.0 0 0.0 0 0.0 0 0.0 6 21
47 A 47 ALA A - 0 0 -82.5 158.9 179.9 -111.9 38.1 113.7 0 0.0 49 -0.5 0 0.0 0 0.0 7 20
48 A 48 VAL V - 0 0 -95.0 122.8 178.9 -112.4 35.1 144.1 0 0.0 0 0.0 0 0.0 0 0.0 5 21
49 A 49 GLN Q - 0 0 -51.1 142.8 179.7 -132.1 23.3 97.7 47 -0.5 51 -0.7 0 0.0 0 0.0 6 32
50 A 50 ASP D h > T - 0 0 -102.9 112.6 -178.2 -166.8 15.2 153.0 0 0.0 54 -2.0 0 0.0 0 0.0 7 32
51 A 51 ASN N H H > TS+ 0 0 -72.7 -23.8 178.9 50.7 87.8 43.7 49 -0.7 55 -2.1 0 0.0 0 0.0 9 37
52 A 52 VAL V H H > TS+ 0 0 -76.6 -45.3 179.1 52.6 108.9 23.0 0 0.0 56 -3.1 0 0.0 0 0.0 7 35
53 A 53 LYS K H H > TS+ 0 0 -52.5 -53.2 -179.1 40.5 115.7 18.1 0 0.0 57 -2.3 0 0.0 0 0.0 9 37
54 A 54 VAL V H H X TS+ 0 0 -65.6 -47.8 179.6 51.6 113.7 21.1 50 -2.0 58 -2.3 0 0.0 0 0.0 12 48
55 A 55 SER S H H X TS+ 0 0 -57.8 -42.5 178.7 45.1 113.8 22.6 51 -2.1 59 -2.6 0 0.0 0 0.0 15 51
56 A 56 LEU L H H X TS+ 0 0 -67.9 -36.3 179.8 58.8 107.8 25.0 52 -3.1 60 -3.3 0 0.0 0 0.0 11 43
57 A 57 ALA A H H X TS+ 0 0 -55.8 -49.4 179.2 37.7 113.7 18.6 53 -2.3 61 -1.3 0 0.0 0 0.0 13 48
58 A 58 PHE F H H X TS+ 0 0 -66.7 -51.4 -178.5 46.1 120.0 17.7 54 -2.3 62 -1.8 0 0.0 0 0.0 14 63
59 A 59 GLY G H H X TS+ 0 0 -61.0 -47.1 180.0 44.6 115.0 24.5 55 -2.6 63 -2.6 0 0.0 0 0.0 15 62
60 A 60 LEU L H H X TS+ 0 0 -70.1 -26.1 178.4 61.4 106.8 36.4 56 -3.3 64 -2.9 0 0.0 0 0.0 12 48
61 A 61 SER S H H X TS+ 0 0 -60.9 -47.3 179.9 40.7 111.0 15.0 57 -1.3 65 -3.2 0 0.0 0 0.0 14 54
62 A 62 ILE I H H X TS+ 0 0 -65.1 -48.8 178.7 52.2 113.0 22.4 58 -1.8 66 -3.9 0 0.0 0 0.0 13 62
63 A 63 ALA A H H X TS+ 0 0 -52.9 -49.1 -178.7 41.6 117.0 17.9 59 -2.6 67 -1.5 0 0.0 0 0.0 14 46
64 A 64 THR T H H X TS+ 0 0 -64.9 -50.0 179.6 44.7 117.5 19.3 60 -2.9 68 -2.3 0 0.0 0 0.0 11 43
65 A 65 LEU L H H X TS+ 0 0 -64.0 -38.5 179.3 52.4 112.0 28.3 61 -3.2 69 -2.5 0 0.0 0 0.0 12 49
66 A 66 ALA A H H X TS+ 0 0 -65.6 -31.4 179.6 46.6 112.9 32.9 62 -3.9 70 -1.2 0 0.0 0 0.0 12 52
67 A 67 GLN Q H H < TS+ 0 0 -75.6 -37.5 -178.8 49.0 113.8 32.9 63 -1.5 0 0.0 0 0.0 0 0.0 9 38
68 A 68 SER S H H < TS+ 0 0 -74.1 -37.3 -179.3 2.7 135.6 32.8 64 -2.3 0 0.0 0 0.0 0 0.0 7 35
69 A 69 VAL V H H X > TS+ 0 0 -135.7 11.3 179.5 111.1 92.0 75.0 65 -2.5 73 -2.1 0 0.0 72 -1.1 13 40
70 A 70 GLY G H H X 3 TS+ 0 0 -57.9 -30.7 179.1 53.1 82.2 36.0 66 -1.2 74 -0.7 0 0.0 0 0.0 12 44
71 A 71 HIS H H H 4 3 TS+ 0 0 -76.2 -21.1 -178.8 49.1 110.4 42.3 0 0.0 0 0.0 0 0.0 0 0.0 8 30
72 A 72 ILE I H H 4 < TS- 0 0 -85.3 -45.1 -179.5 -2.3 136.1 26.0 69 -1.1 0 0.0 0 0.0 0 0.0 10 33
73 A 73 SER S H H < TS- 0 0 -125.1 -12.8 -178.1 -102.3 95.8 56.7 69 -2.1 0 0.0 0 0.0 0 0.0 13 51
74 A 74 GLY G h < T - 0 0 101.5 -4.7 179.4 -105.8 53.3 70.5 70 -0.7 0 0.0 0 0.0 0 0.0 9 61
75 A 75 ALA A + 0 0 48.4 54.0 179.6 156.1 64.6 27.5 0 0.0 0 0.0 0 0.0 0 0.0 12 69
76 A 76 HIS H + 0 0 -68.4 -62.3 179.0 167.3 6.8 7.9 0 0.0 0 0.0 0 0.0 0 0.0 11 82
77 A 77 LEU L + 0 0 53.9 25.3 -177.9 76.2 56.9 42.6 0 0.0 0 0.0 0 0.0 0 0.0 11 80
78 A 78 ASN N h > > T - 0 0 -170.2 112.3 -179.8 -146.4 69.9 134.7 0 0.0 82 -2.6 0 0.0 81 -2.1 12 83
79 A 79 PRO P H H > 3 TS+ 0 0 -47.4 -36.9 178.7 59.0 105.1 35.8 0 0.0 83 -3.5 0 0.0 0 0.0 16 71
80 A 80 ALA A H H > 3 TS+ 0 0 -64.3 -31.5 179.0 40.8 111.6 31.6 0 0.0 84 -0.8 0 0.0 0 0.0 16 68
81 A 81 VAL V H H > < TS+ 0 0 -78.8 -51.6 178.5 45.8 118.0 21.1 78 -2.1 85 -2.5 0 0.0 0 0.0 13 79
82 A 82 THR T H H X TS+ 0 0 -52.8 -56.4 179.9 47.6 114.5 14.5 78 -2.6 86 -3.0 0 0.0 0 0.0 13 64
83 A 83 LEU L H H X TS+ 0 0 -53.8 -35.1 179.8 57.3 109.4 30.6 79 -3.5 87 -2.2 0 0.0 0 0.0 11 58
84 A 84 GLY G H H X TS+ 0 0 -62.9 -44.8 -179.6 41.7 109.9 21.2 80 -0.8 88 -0.6 0 0.0 0 0.0 15 63
85 A 85 LEU L H H < >>TS+ 0 0 -66.6 -50.9 179.8 57.1 110.8 15.3 81 -2.5 88 -1.6 0 0.0 90 -1.3 12 61
86 A 86 LEU L H H < >5TS+ 0 0 -44.6 -58.1 180.0 47.1 107.1 25.0 82 -3.0 89 -2.6 0 0.0 0 0.0 13 51
87 A 87 LEU L H H < 35TS+ 0 0 -61.0 -17.4 179.7 58.9 107.2 46.2 83 -2.2 0 0.0 0 0.0 0 0.0 9 49
88 A 88 SER S T h < <5TS- 0 0 -86.9 -6.3 179.7 -124.9 113.9 58.6 85 -1.6 0 0.0 84 -0.6 0 0.0 9 58
89 A 89 CYS C T T <5TS+ 0 0 62.6 45.2 179.7 119.0 79.3 24.3 86 -2.6 0 0.0 0 0.0 0 0.0 11 45
90 A 90 GLN Q S t > T - 0 0 -93.8 145.2 -179.8 -127.2 22.9 134.9 0 0.0 96 -2.9 0 0.0 95 -0.9 12 39
93 A 93 VAL V H H > 3 TS+ 0 0 -58.1 -36.6 178.2 62.8 113.6 28.2 247 -1.5 97 -3.2 0 0.0 0 0.0 9 33
94 A 94 LEU L H H > 3 TS+ 0 0 -52.9 -39.0 178.8 39.4 112.0 23.4 0 0.0 98 -1.9 0 0.0 0 0.0 7 35
95 A 95 ARG R H H > < TS+ 0 0 -72.5 -60.6 179.5 50.6 113.8 13.4 92 -0.9 99 -2.8 0 0.0 0 0.0 9 51
96 A 96 ALA A H H X TS+ 0 0 -41.0 -55.8 -179.5 45.5 116.1 22.7 92 -2.9 100 -3.2 0 0.0 0 0.0 13 46
97 A 97 ILE I H H X TS+ 0 0 -53.7 -68.0 -178.7 44.4 113.1 14.2 93 -3.2 101 -1.7 0 0.0 0 0.0 8 42
98 A 98 MET M H H X TS+ 0 0 -51.3 -31.0 -179.3 49.7 118.1 36.1 94 -1.9 102 -1.5 0 0.0 0 0.0 9 45
99 A 99 TYR Y H H X TS+ 0 0 -73.8 -55.5 -179.5 52.2 104.9 16.7 95 -2.8 103 -2.6 0 0.0 0 0.0 13 52
100 A 100 ILE I H H X TS+ 0 0 -53.9 -26.8 179.7 49.1 112.8 39.4 96 -3.2 104 -2.3 0 0.0 0 0.0 12 54
101 A 101 ILE I H H X TS+ 0 0 -80.1 -43.5 178.7 51.0 107.5 25.8 97 -1.7 105 -2.7 0 0.0 0 0.0 8 44
102 A 102 ALA A H H X TS+ 0 0 -59.8 -32.1 179.5 50.4 114.2 30.7 98 -1.5 106 -1.9 0 0.0 0 0.0 12 51
103 A 103 GLN Q H H X TS+ 0 0 -68.8 -67.0 179.1 41.9 110.8 5.0 99 -2.6 107 -2.7 0 0.0 0 0.0 15 58
104 A 104 CYS C H H X TS+ 0 0 -49.9 -41.7 179.4 50.2 117.7 28.5 100 -2.3 108 -3.2 0 0.0 0 0.0 13 54
105 A 105 VAL V H H X TS+ 0 0 -64.9 -45.2 -180.0 49.4 109.2 20.8 101 -2.7 109 -3.8 0 0.0 0 0.0 11 43
106 A 106 GLY G H H X TS+ 0 0 -59.2 -40.8 178.8 46.7 114.3 25.3 102 -1.9 110 -3.6 0 0.0 0 0.0 13 50
107 A 107 ALA A H H X TS+ 0 0 -61.1 -59.5 179.5 46.5 114.4 8.4 103 -2.7 111 -4.1 0 0.0 0 0.0 16 58
108 A 108 ILE I H H X TS+ 0 0 -49.3 -44.3 179.9 46.0 116.4 28.6 104 -3.2 112 -0.9 0 0.0 0 0.0 13 53
109 A 109 VAL V H H X TS+ 0 0 -66.7 -48.5 -179.1 41.9 117.7 18.1 105 -3.8 113 -0.8 0 0.0 0 0.0 10 44
110 A 110 ALA A H H X > TS+ 0 0 -64.1 -50.9 179.8 53.3 111.2 20.5 106 -3.6 114 -1.7 0 0.0 113 -1.2 14 51
111 A 111 THR T H H X 3 TS+ 0 0 -55.5 -25.2 -178.7 50.1 112.1 39.0 107 -4.1 115 -0.8 0 0.0 0 0.0 15 52
112 A 112 ALA A H H X 3 TS+ 0 0 -89.4 -18.6 178.8 54.4 104.2 49.3 108 -0.9 116 -0.5 0 0.0 0 0.0 9 45
113 A 113 ILE I H H X < TS+ 0 0 -84.3 -24.3 179.1 54.2 106.2 42.0 110 -1.2 117 -1.6 109 -0.8 0 0.0 9 39
114 A 114 LEU L H H X TS+ 0 0 -74.2 -37.4 179.4 70.0 93.1 31.8 110 -1.7 118 -4.2 0 0.0 0 0.0 12 44
115 A 115 SER S H H < TS+ 0 0 -47.4 -40.1 179.3 39.3 107.7 28.8 111 -0.8 0 0.0 0 0.0 0 0.0 10 40
116 A 116 GLY G H H < > TS+ 0 0 -77.6 -44.1 179.9 51.9 114.4 23.9 112 -0.5 119 -0.9 0 0.0 0 0.0 7 26
117 A 117 ILE I H H < 3 TS+ 0 0 -57.9 -43.0 -178.3 26.2 126.2 25.2 113 -1.6 0 0.0 0 0.0 0 0.0 7 32
118 A 118 THR T T h < > TS+ 0 0 -110.0 22.0 -179.8 122.4 81.7 83.8 114 -4.2 121 -1.8 0 0.0 0 0.0 8 36
119 A 119 SER S T T < T + 0 0 -49.2 -39.6 -179.7 72.6 64.4 31.5 116 -0.9 0 0.0 0 0.0 0 0.0 8 28
120 A 120 SER S T T 3 TS+ 0 0 -61.2 8.4 -179.9 101.9 80.1 69.9 0 0.0 0 0.0 0 0.0 0 0.0 5 26
121 A 121 LEU L t X T - 0 0 -102.0 141.7 -180.0 -132.9 69.4 142.5 118 -1.8 124 -0.7 0 0.0 0 0.0 7 33
122 A 122 PRO P T T 3 TS+ 0 0 -52.6 -118.2 -179.8 10.1 90.0 30.9 0 0.0 124 -4.2 0 0.0 0 0.0 4 28
123 A 123 ASP D T T 3 TS- 0 0 -65.7 54.3 -178.9 -169.8 85.1 101.4 0 0.0 125 -0.8 0 0.0 0 0.0 4 28
124 A 124 ASN N t < T + 0 0 -54.6 96.2 179.6 174.9 17.1 107.9 122 -4.2 0 0.0 121 -0.7 0 0.0 9 37
125 A 125 SER S t > T - 0 0 -80.6 -9.7 -179.7 -135.4 36.6 55.0 123 -0.8 128 -0.9 0 0.0 0 0.0 7 48
126 A 126 LEU L T T 3 T - 0 0 55.4 42.1 179.4 -62.1 64.6 24.9 0 0.0 0 0.0 0 0.0 0 0.0 11 52
127 A 127 GLY G T T 3 TS+ 0 0 54.8 35.2 179.8 179.8 81.6 35.4 0 0.0 0 0.0 0 0.0 0 0.0 9 71
128 A 128 LEU L t < T - 0 0 -68.6 138.3 -179.7 -111.6 33.5 116.2 125 -0.9 130 -0.5 0 0.0 0 0.0 11 58
129 A 129 ASN N + 0 0 -74.8 119.0 -179.0 172.6 46.7 126.5 0 0.0 0 0.0 0 0.0 0 0.0 12 62
130 A 130 ALA A - 0 0 -135.2 138.8 179.4 -108.1 40.2 171.8 128 -0.5 0 0.0 0 0.0 0 0.0 9 52
131 A 131 LEU L - 0 0 -61.0 120.9 -178.4 -124.8 46.8 116.1 0 0.0 0 0.0 0 0.0 0 0.0 11 40
132 A 132 ALA A t > T - 0 0 -73.7 149.1 179.6 -86.1 30.9 111.9 188 -2.4 135 -2.6 0 0.0 0 0.0 9 32
133 A 133 PRO P T T 3 TS+ 0 0 -54.5 110.5 179.3 24.1 118.8 109.2 0 0.0 0 0.0 0 0.0 0 0.0 4 20
134 A 134 GLY G T T 3 TS+ 0 0 116.1 -10.4 -180.0 118.6 88.1 74.0 0 0.0 136 -0.9 0 0.0 0 0.0 4 18
135 A 135 VAL V t < T - 0 0 -93.9 107.1 179.9 -127.2 69.9 144.2 132 -2.6 137 -1.3 0 0.0 0 0.0 9 25
136 A 136 ASN N t > T - 0 0 -54.7 89.6 -179.4 -129.9 34.8 109.1 134 -0.9 140 -0.7 0 0.0 0 0.0 6 21
137 A 137 SER S T T 4 TS+ 0 0 -40.1 153.5 -178.9 19.2 85.0 85.4 135 -1.3 139 -2.1 0 0.0 0 0.0 7 30
138 A 138 GLY G T g 4 > TS+ 0 0 80.6 -79.5 178.8 47.9 129.4 123.7 0 0.0 141 -2.8 0 0.0 0 0.0 7 30
139 A 139 GLN Q G G 4 > TS+ 0 0 -68.5 -3.9 178.2 67.3 103.2 55.8 137 -2.1 142 -0.6 0 0.0 0 0.0 6 26
140 A 140 GLY G G G < > TS+ 0 0 -92.9 4.2 180.0 80.7 80.8 69.9 136 -0.7 143 -0.6 0 0.0 0 0.0 11 40
141 A 141 LEU L G h > < T + 0 0 -90.6 3.8 178.4 85.9 63.6 71.5 138 -2.8 145 -1.5 0 0.0 0 0.0 10 48
142 A 142 GLY G H H > < TS+ 0 0 -74.7 -18.9 179.8 62.9 84.7 44.3 139 -0.6 146 -2.0 0 0.0 0 0.0 9 42
143 A 143 ILE I H H > < TS+ 0 0 -67.4 -60.5 179.5 40.9 104.1 11.5 140 -0.6 147 -3.2 0 0.0 0 0.0 12 50
144 A 144 GLU E H H > TS+ 0 0 -56.7 -38.3 -179.7 55.4 114.8 29.9 0 0.0 148 -2.6 0 0.0 0 0.0 17 64
145 A 145 ILE I H H X TS+ 0 0 -62.8 -46.4 179.7 37.4 114.1 22.5 141 -1.5 149 -1.8 0 0.0 0 0.0 15 54
146 A 146 ILE I H H X TS+ 0 0 -72.6 -41.4 -179.8 54.1 116.1 25.2 142 -2.0 150 -2.4 0 0.0 0 0.0 10 52
147 A 147 GLY G H H X TS+ 0 0 -59.5 -44.3 -180.0 37.2 115.8 25.4 143 -3.2 151 -1.1 0 0.0 0 0.0 15 60
148 A 148 THR T H H X TS+ 0 0 -76.8 -34.6 179.8 59.2 113.8 31.9 144 -2.6 152 -2.8 0 0.0 0 0.0 17 67
149 A 149 LEU L H H X TS+ 0 0 -55.8 -64.3 -179.2 45.8 105.1 9.8 145 -1.8 153 -3.2 0 0.0 0 0.0 15 57
150 A 150 GLN Q H H X TS+ 0 0 -48.4 -38.5 179.1 50.7 115.5 32.5 146 -2.4 154 -1.8 0 0.0 0 0.0 12 52
151 A 151 LEU L H H X > TS+ 0 0 -63.5 -64.6 179.9 42.3 112.0 8.0 147 -1.1 155 -2.3 0 0.0 154 -0.6 13 67
152 A 152 VAL V H H X 3 TS+ 0 0 -51.5 -39.3 179.8 56.6 112.6 30.0 148 -2.8 156 -2.0 0 0.0 0 0.0 15 65
153 A 153 LEU L H H X 3 TS+ 0 0 -61.2 -40.4 -179.6 49.3 106.3 24.1 149 -3.2 157 -2.0 0 0.0 0 0.0 12 58
154 A 154 CYS C H H X < TS+ 0 0 -64.6 -42.4 179.5 52.5 109.2 21.8 150 -1.8 158 -2.8 151 -0.6 0 0.0 10 59
155 A 155 VAL V H H X TS+ 0 0 -61.8 -34.2 -179.3 50.2 109.0 32.4 151 -2.3 159 -1.1 0 0.0 0 0.0 10 69
156 A 156 LEU L H H < TS+ 0 0 -73.2 -39.7 179.9 42.6 114.3 26.6 152 -2.0 0 0.0 0 0.0 0 0.0 11 55
157 A 157 ALA A H H < > TS+ 0 0 -73.0 -37.5 -178.3 55.0 112.3 25.8 153 -2.0 160 -1.1 0 0.0 0 0.0 8 47
158 A 158 THR T H H < 3 TS+ 0 0 -68.7 -23.5 178.6 33.7 118.1 42.4 154 -2.8 0 0.0 0 0.0 0 0.0 10 46
159 A 159 THR T T h < 3 TS+ 0 0 -114.9 16.2 -179.0 123.9 80.2 79.2 155 -1.1 0 0.0 0 0.0 0 0.0 6 48
160 A 160 ASP D t < T - 0 0 -46.2 -38.7 177.5 -160.6 51.6 36.9 157 -1.1 0 0.0 0 0.0 0 0.0 7 38
161 A 161 ARG R S S S+ 0 0 81.4 -31.9 178.5 77.6 75.8 89.3 0 0.0 0 0.0 0 0.0 0 0.0 6 25
162 A 162 ARG R S S S+ 0 0 -81.2 -14.7 -178.7 95.1 81.2 51.4 0 0.0 0 0.0 0 0.0 0 0.0 4 21
163 A 163 ARG R + 0 0 -80.7 148.7 178.0 171.0 42.0 118.1 0 0.0 0 0.0 0 0.0 0 0.0 6 21
164 A 164 ARG R + 0 0 -140.2 22.2 179.9 79.1 68.7 91.4 0 0.0 0 0.0 0 0.0 0 0.0 5 13
165 A 165 ASP D + 0 0 -115.1 4.0 177.1 119.0 58.7 72.5 0 0.0 0 0.0 0 0.0 0 0.0 4 13
166 A 166 LEU L - 0 0 -67.6 145.5 -179.9 -176.4 41.6 117.8 0 0.0 0 0.0 0 0.0 0 0.0 6 20
167 A 167 GLY G + 0 0 -144.3 145.2 -178.8 11.4 41.9 173.2 0 0.0 0 0.0 0 0.0 0 0.0 4 18
168 A 168 GLY G S S S- 0 0 87.6 -161.6 -177.5 -16.4 106.2 117.7 0 0.0 170 -0.6 0 0.0 0 0.0 4 19
169 A 169 SER S h > T - 0 0 -93.9 119.0 178.1 -163.0 39.3 136.8 0 0.0 173 -2.0 0 0.0 0 0.0 6 31
170 A 170 GLY G H H > TS+ 0 0 -58.5 -45.4 179.6 52.1 95.6 20.9 168 -0.6 174 -2.2 0 0.0 0 0.0 7 42
171 A 171 PRO P H H > TS+ 0 0 -56.0 -52.9 -178.5 49.0 107.9 21.1 0 0.0 175 -2.8 0 0.0 0 0.0 12 45
172 A 172 LEU L H H > TS+ 0 0 -56.7 -45.0 179.6 50.8 110.8 27.1 0 0.0 176 -2.8 0 0.0 0 0.0 10 39
173 A 173 ALA A H H X TS+ 0 0 -60.0 -45.6 -179.6 45.4 113.0 20.7 169 -2.0 177 -1.6 0 0.0 0 0.0 9 41
174 A 174 ILE I H H X TS+ 0 0 -66.5 -35.9 179.1 52.4 112.7 26.4 170 -2.2 178 -1.9 0 0.0 0 0.0 15 57
175 A 175 GLY G H H X TS+ 0 0 -65.8 -42.6 -179.4 50.3 107.3 23.3 171 -2.8 179 -1.8 0 0.0 0 0.0 15 55
176 A 176 PHE F H H X TS+ 0 0 -66.0 -27.0 177.5 56.2 106.6 35.6 172 -2.8 180 -3.0 0 0.0 0 0.0 12 42
177 A 177 SER S H H X TS+ 0 0 -67.2 -42.3 179.5 50.1 107.3 24.3 173 -1.6 181 -2.3 0 0.0 0 0.0 12 57
178 A 178 VAL V H H X TS+ 0 0 -65.7 -33.4 178.5 44.9 112.8 33.5 174 -1.9 182 -1.2 0 0.0 0 0.0 13 68
179 A 179 ALA A H H X TS+ 0 0 -76.3 -40.2 179.7 57.3 109.1 26.6 175 -1.8 183 -2.2 0 0.0 0 0.0 14 54
180 A 180 LEU L H H X TS+ 0 0 -54.6 -41.4 -179.6 57.0 102.4 22.8 176 -3.0 184 -1.0 0 0.0 0 0.0 10 48
181 A 181 GLY G H H X > TS+ 0 0 -55.8 -48.8 -179.6 42.4 109.5 22.0 177 -2.3 185 -2.9 0 0.0 184 -0.7 15 61
182 A 182 HIS H H H X 3 TS+ 0 0 -70.4 -29.8 178.9 63.9 103.7 37.6 178 -1.2 186 -2.0 0 0.0 0 0.0 14 55
183 A 183 LEU L H H < 3 TS+ 0 0 -62.8 -22.6 -179.8 34.4 116.9 38.3 179 -2.2 0 0.0 0 0.0 0 0.0 10 38
184 A 184 LEU L H H < < TS+ 0 0 -94.6 -53.1 -176.5 30.8 127.8 26.3 180 -1.0 0 0.0 181 -0.7 0 0.0 11 41
185 A 185 ALA A H H X TS+ 0 0 -89.5 -13.2 -178.5 90.1 88.7 55.8 181 -2.9 189 -1.7 0 0.0 191 -1.5 14 58
186 A 186 ILE I H H X TS+ 0 0 -50.9 -51.1 -179.5 41.2 95.8 21.3 182 -2.0 190 -1.0 0 0.0 0 0.0 11 55
187 A 187 ASP D H H 4 TS+ 0 0 -61.7 -49.0 -177.7 42.4 119.8 24.1 0 0.0 0 0.0 0 0.0 0 0.0 8 40
188 A 188 TYR Y H H 4 TS- 0 0 -66.5 -63.6 -179.0 -5.6 140.2 10.4 0 0.0 132 -2.4 0 0.0 0 0.0 12 41
189 A 189 THR T H H < TS- 0 0 -119.4 9.6 -177.7 -101.9 94.9 71.8 185 -1.7 0 0.0 0 0.0 0 0.0 15 56
190 A 190 GLY G h < T - 0 0 79.1 5.8 -179.5 -91.4 69.3 56.6 186 -1.0 0 0.0 0 0.0 0 0.0 13 65
191 A 191 CYS C + 0 0 51.3 114.9 178.3 168.2 58.8 26.9 185 -1.5 0 0.0 0 0.0 0 0.0 13 73
192 A 192 GLY G + 0 0 -112.4 -67.4 -179.0 153.9 14.0 41.5 0 0.0 0 0.0 0 0.0 0 0.0 13 78
193 A 193 ILE I + 0 0 37.6 30.4 -178.3 74.1 68.8 42.9 0 0.0 0 0.0 0 0.0 0 0.0 13 81
194 A 194 ASN N h > > T - 0 0 -170.1 86.4 -179.6 -159.6 68.3 118.6 0 0.0 198 -1.9 0 0.0 197 -1.4 13 84
195 A 195 PRO P H H > 3 TS+ 0 0 -37.7 -50.1 -179.5 52.5 92.9 36.5 0 0.0 199 -3.1 0 0.0 0 0.0 14 68
196 A 196 ALA A H H > 3 TS+ 0 0 -61.3 -37.4 -179.8 49.6 109.2 30.6 0 0.0 200 -2.3 0 0.0 0 0.0 13 67
197 A 197 ARG R H H > < TS+ 0 0 -69.7 -44.9 178.0 43.0 114.5 22.1 194 -1.4 201 -1.1 0 0.0 0 0.0 12 82
198 A 198 SER S H H X > TS+ 0 0 -60.3 -54.9 -179.1 52.5 114.9 8.8 194 -1.9 202 -2.2 0 0.0 201 -1.2 13 69
199 A 199 PHE F H H X 3 TS+ 0 0 -47.1 -46.8 -178.8 59.6 101.5 31.8 195 -3.1 203 -1.6 0 0.0 0 0.0 12 58
200 A 200 GLY G H H X 3 TS+ 0 0 -56.2 -37.1 -179.1 40.0 111.1 31.5 196 -2.3 204 -1.3 0 0.0 0 0.0 16 58
201 A 201 SER S H H X < TS+ 0 0 -79.8 -45.2 -179.3 55.4 110.7 22.0 198 -1.2 205 -0.5 197 -1.1 0 0.0 16 59
202 A 202 SER S H H < >TS+ 0 0 -60.9 -22.3 179.7 48.5 110.3 42.1 198 -2.2 207 -1.0 0 0.0 0 0.0 13 47
203 A 203 VAL V H H < >5TS+ 0 0 -84.9 -46.2 179.7 48.2 108.6 23.2 199 -1.6 206 -1.2 0 0.0 0 0.0 10 39
204 A 204 ILE I H H < 35TS+ 0 0 -71.0 0.8 -179.1 39.7 123.2 60.5 200 -1.3 0 0.0 0 0.0 0 0.0 9 40
205 A 205 THR T T h < 35TS- 0 0 -128.3 1.9 179.6 -135.4 99.7 72.5 201 -0.5 0 0.0 0 0.0 0 0.0 9 37
206 A 206 HIS H T T <5T + 0 0 47.2 23.0 178.9 130.0 64.0 45.0 203 -1.2 208 -0.7 0 0.0 0 0.0 6 26
207 A 207 ASN N t T + 0 0 -111.5 22.0 179.9 154.9 15.1 85.0 206 -0.7 211 -1.6 0 0.0 0 0.0 8 31
209 A 209 GLN Q T T 3 TS- 0 0 -54.6 111.9 179.6 -20.3 85.4 108.7 0 0.0 0 0.0 0 0.0 0 0.0 6 32
210 A 210 ASP D T T > TS+ 0 0 64.8 1.5 179.8 147.3 91.3 60.9 0 0.0 213 -3.0 0 0.0 0 0.0 8 38
211 A 211 HIS H T T X T + 0 0 -40.2 -21.5 -179.7 75.9 57.7 47.3 208 -1.6 214 -1.2 0 0.0 0 0.0 13 43
212 A 212 TRP W T h > > TS+ 0 0 -63.1 -37.5 -179.8 65.8 80.5 30.0 0 0.0 216 -2.2 0 0.0 215 -2.0 8 43
213 A 213 ILE I H H > < TS+ 0 0 -58.5 -17.4 -178.8 65.1 92.4 46.4 210 -3.0 217 -1.1 0 0.0 0 0.0 10 50
214 A 214 PHE F H H 4 < TS+ 0 0 -92.1 13.6 178.4 31.8 111.6 75.6 211 -1.2 0 0.0 0 0.0 0 0.0 14 60
215 A 215 TRP W H H > < TS+ 0 0 -129.6 -50.4 180.0 47.2 119.9 59.1 212 -2.0 219 -2.0 0 0.0 0 0.0 12 55
216 A 216 VAL V H H X TS+ 0 0 -64.7 -38.9 179.5 50.0 114.4 27.2 212 -2.2 220 -1.3 0 0.0 0 0.0 8 47
217 A 217 GLY G H H X TS+ 0 0 -67.3 -51.6 179.7 34.9 117.9 18.8 213 -1.1 221 -2.5 0 0.0 0 0.0 15 54
218 A 218 PRO P H H > TS+ 0 0 -67.9 -54.9 179.2 51.3 117.6 9.1 0 0.0 222 -3.4 0 0.0 0 0.0 19 63
219 A 219 PHE F H H X TS+ 0 0 -49.8 -32.9 177.8 48.3 113.5 35.1 215 -2.0 223 -1.7 0 0.0 0 0.0 14 52
220 A 220 ILE I H H X TS+ 0 0 -72.0 -51.9 178.9 50.2 109.7 15.7 216 -1.3 224 -2.7 0 0.0 0 0.0 11 47
221 A 221 GLY G H H X TS+ 0 0 -51.9 -42.1 178.0 52.5 109.5 26.8 217 -2.5 225 -1.9 0 0.0 0 0.0 17 54
222 A 222 ALA A H H X TS+ 0 0 -58.6 -46.5 -179.7 51.8 108.0 18.1 218 -3.4 226 -2.7 0 0.0 0 0.0 17 57
223 A 223 ALA A H H X TS+ 0 0 -56.5 -47.4 178.9 48.1 109.4 22.7 219 -1.7 227 -2.2 0 0.0 0 0.0 11 44
224 A 224 LEU L H H X TS+ 0 0 -63.1 -29.0 -179.7 54.2 111.5 34.1 220 -2.7 228 -2.1 0 0.0 0 0.0 9 44
225 A 225 ALA A H H X TS+ 0 0 -67.3 -61.3 179.9 42.0 110.0 8.3 221 -1.9 229 -2.6 0 0.0 0 0.0 13 50
226 A 226 VAL V H H X TS+ 0 0 -55.7 -34.7 179.5 52.5 115.8 33.3 222 -2.7 230 -1.6 0 0.0 0 0.0 16 48
227 A 227 LEU L H H X >TS+ 0 0 -67.4 -45.8 -178.9 43.4 112.7 20.6 223 -2.2 231 -1.3 0 0.0 232 -0.9 9 41
228 A 228 ILE I H H < >TS+ 0 0 -69.0 -39.0 -179.2 34.3 123.2 31.5 224 -2.1 233 -2.9 0 0.0 0 0.0 10 33
229 A 229 TYR Y H H < >TS+ 0 0 -82.8 -52.4 -178.7 41.0 122.9 18.8 225 -2.6 234 -2.8 0 0.0 0 0.0 13 39
230 A 230 ASP D H H < 5TS+ 0 0 -71.6 -19.7 -178.6 17.5 132.5 48.4 226 -1.6 236 -0.6 0 0.0 0 0.0 11 41
231 A 231 PHE F T h < 5TS+ 0 0 -127.1 -24.0 -180.0 31.5 130.5 49.6 227 -1.3 0 0.0 0 0.0 0 0.0 10 28
232 A 232 ILE I T T > T - 0 0 -85.2 159.1 -179.2 -118.1 23.8 116.3 0 0.0 243 -1.2 0 0.0 242 -0.6 6 15
240 A 240 LEU L H H > > TS+ 0 0 -59.6 -52.8 -179.0 63.6 106.8 21.1 0 0.0 244 -2.6 0 0.0 243 -0.8 6 21
241 A 241 THR T H H > 3 TS+ 0 0 -44.7 -33.5 -179.7 45.1 107.9 38.6 0 0.0 245 -0.5 0 0.0 0 0.0 6 17
242 A 242 ASP D H H 4 < TS+ 0 0 -83.7 -32.1 178.8 53.4 108.9 35.5 239 -0.6 0 0.0 0 0.0 0 0.0 8 19
243 A 243 ARG R H H < X TS+ 0 0 -64.9 -46.3 -180.0 60.7 102.4 19.1 239 -1.2 246 -2.6 240 -0.8 0 0.0 10 26
244 A 244 VAL V H H < > TS+ 0 0 -49.0 -34.6 180.0 77.5 84.7 37.4 240 -2.6 247 -3.4 0 0.0 0 0.0 8 23
245 A 245 LYS K G h X > TS+ 0 0 -46.4 -34.3 -179.6 66.3 83.6 33.2 241 -0.5 248 -1.6 0 0.0 249 -1.2 8 22
246 A 246 VAL V G G 4 < TS+ 0 0 -60.7 -24.4 179.7 81.9 79.1 42.7 243 -2.6 0 0.0 0 0.0 0 0.0 11 29
247 A 247 TRP W G G 4 < TS+ 0 0 -51.2 -33.8 -179.4 31.9 103.0 36.8 244 -3.4 93 -1.5 0 0.0 0 0.0 11 27
248 A 248 THR T T g 4 < T 0 0 -92.3 -50.7 179.8 999.9 999.9 26.6 245 -1.6 0 0.0 0 0.0 0 0.0 7 25
249 A 249 SER S t < T 0 0 -140.6 999.9 999.9 999.9 999.9 109.1 245 -1.2 0 0.0 0 0.0 0 0.0 7 29
1j4nA.pdb
1J4N MEMBRANE PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand STTHHHHHHHHHHHHHHHHHHHHHHHHHHHHGGG SS HHHHHHHHHHHHHHHHHHHHHHH HHHHHHHHHTTSS HHHHHHHH Kabs/Sand
chirality +--+++++++++++++++++++++++++++++++++++-+-+-------+++++++++++++++++++++---+++-+++++++++-++--++++++++ chirality
bends SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SS SSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSS SSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTT TTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33< >33< >>>X<<< >33< >33< >>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXXXXXXXXXXXXXXXXX<<<< >>>>XXXXXXXXXXXXX<>>>XXX<<<< >>>>XXXXX 4-turns
summary tThHHHHHHHHHHHHHHHHHHHHHHHHHHHHhGGg SS hHHHHHHHHHHHHHHHHHHHHHHHh hHHHHHHHHHhTtShHHHHHHHH summary
sequence MASEFKKKLFWRAVVAEFLAMILFIFISIGSALGFHYPIKSNQTTGAVQDNVKVSLAFGLSIATLAQSVGHISGAHLNPAVTLGLLLSCQISVLRAIMYI sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHHHHHHHHHTTT TT TT TT TTGGGHHHHHHHHHHHHHHHHHT SS S HHHHHHHHHHHHHHHHHHHH HHHHHH Kabs/Sand
chirality ++++++++++++++++++++-+-+--+-+---++--+++++++++++++++++++++++-+++++-+--++++++++++++++++++---+++-++++++ chirality
bends SSSSSSSSSSSSSSSSSS S SS S SS SSSS SSSSSSSSSSSSSSSSSS SS S SSSSSSSSSSSSSSSSSSSS SSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTT turns
5-turns 5-turns
3-turns >33< >3><3X33<>33< >33< >>><<< >33< >33< >33< >33<>33 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXXXXXXXXXX<<<< >444<>>>>XXXXXXXXXXX<<<< >>>>XXXXXXXXXX<>>>XXX 4-turns
summary HHHHHHHHHHHHHHHHHhTTtTTttTTt tTTttTgGGhHHHHHHHHHHHHHHHHHhtSS ShHHHHHHHHHHHHHHHHHHHHh hHHHHHH summary
sequence IAQCVGAIVATAILSGITSSLPDNSLGLNALAPGVNSGQGLGIEIIGTLQLVLCVLATTDRRRRDLGGSGPLAIGFSVALGHLLAIDYTGCGINPARSFG sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHTT TTTTHHHHHHHHHHHHHHHHHHTTTS SS HHHHHGGGT Kabs/Sand
chirality ++++-+++-+++++++++++++++++++++++++--+--++++++++ chirality
bends SSSSS SS SSSSSSSSSSSSSSSSSSSSSSS SS SSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTT turns
5-turns >5555< >>>55<<< 5-turns
3-turns < >33< >3>X><<< >>3><<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns X<<<< >>4>XX>XXXXXXXXX<<<< >>>4<