Secondary structure calculation program - copyright by David Keith Smith, 1989
1jb0D.pdb
1JB0 PHOTOSYNTHESIS MOL_ID: 1; MOL_ID: 1;
Sequence length - 138
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 D 1 THR T 0 0 999.9 27.0 177.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 9
2 D 2 THR T + 0 0 50.6 122.0 177.9 14.5 999.9 26.9 0 0.0 0 0.0 0 0.0 0 0.0 4 28
3 D 3 LEU L + 0 0 54.8 100.9 178.7 168.0 58.5 9.6 0 0.0 0 0.0 0 0.0 0 0.0 6 32
4 D 4 THR T + 0 0 -125.7 166.2 179.6 104.1 19.8 143.6 0 0.0 0 0.0 0 0.0 0 0.0 7 30
5 D 5 GLY G - 0 0 137.2 157.1 178.9 -85.8 62.2 123.6 0 0.0 0 0.0 0 0.0 0 0.0 9 31
6 D 6 GLN Q B B a - 54 0 -92.5 152.5 179.0 -115.9 39.2 129.3 53 -3.1 55 -2.8 0 0.0 0 0.0 8 30
7 D 7 PRO P - 0 0 -84.6 141.0 179.3 -110.1 37.2 131.6 0 0.0 0 0.0 0 0.0 0 0.0 10 36
8 D 8 PRO P - 0 0 -63.7 158.7 178.1 -88.1 44.3 108.3 0 0.0 10 -0.7 0 0.0 0 0.0 11 43
9 D 9 LEU L B B B S+ 48 0 -69.9 113.4 -178.0 150.1 71.8 125.5 48 -2.8 48 -1.9 0 0.0 0 0.0 8 31
10 D 10 TYR Y - 0 0 -152.2 132.4 -179.3 -147.8 48.0 166.4 8 -0.7 0 0.0 0 0.0 0 0.0 8 30
11 D 11 GLY G - 0 0 -78.9 -1.3 -179.7 -117.7 52.5 62.0 0 0.0 0 0.0 0 0.0 0 0.0 4 22
12 D 12 GLY G - 0 0 87.4 169.6 178.7 -144.4 28.8 95.3 0 0.0 0 0.0 0 0.0 0 0.0 5 25
13 D 13 SER S t > T - 0 0 -161.4 173.8 179.7 -103.4 29.6 165.3 0 0.0 16 -0.7 0 0.0 0 0.0 8 22
14 D 14 THR T T T 3 TS+ 0 0 -83.6 -4.0 -178.4 73.2 108.2 56.2 0 0.0 0 0.0 0 0.0 0 0.0 5 17
15 D 15 GLY G T T 3 TS+ 0 0 -89.0 -4.0 -179.3 89.6 79.0 60.4 0 0.0 0 0.0 0 0.0 0 0.0 6 26
16 D 16 GLY G S t < TS- 0 0 -72.9 -150.8 -178.3 -19.6 83.6 66.1 13 -0.7 0 0.0 0 0.0 0 0.0 9 35
17 D 17 LEU L - 0 0 -60.2 143.8 178.0 -167.0 54.0 100.8 0 0.0 0 0.0 0 0.0 0 0.0 9 33
18 D 18 LEU L t > T - 0 0 -117.4 -171.8 -174.6 -73.7 48.4 120.8 0 0.0 21 -1.6 0 0.0 0 0.0 7 22
19 D 19 SER S T h > > TS+ 0 0 -62.6 -28.6 179.1 70.3 123.0 35.7 0 0.0 23 -1.6 0 0.0 22 -1.5 6 20
20 D 20 ALA A H H > 3>TS+ 0 0 -55.4 -29.7 -179.7 69.4 87.2 33.7 0 0.0 24 -3.0 0 0.0 25 -1.3 10 22
21 D 21 ALA A H H 4 <5TS+ 0 0 -56.3 -36.9 -178.5 35.4 107.9 29.3 18 -1.6 0 0.0 0 0.0 0 0.0 10 30
22 D 22 ASP D H H 4 <5TS+ 0 0 -90.3 -26.6 -177.2 35.6 126.5 43.1 19 -1.5 0 0.0 0 0.0 0 0.0 10 24
23 D 23 THR T H H < 5TS+ 0 0 -105.0 -14.9 -178.2 14.8 131.1 50.6 19 -1.6 0 0.0 0 0.0 0 0.0 8 20
24 D 24 GLU E T h < 5TS- 0 0 -120.9 -70.0 178.9 -43.4 114.2 45.6 20 -3.0 0 0.0 0 0.0 0 0.0 8 24
25 D 25 GLU E t T - 0 0 -82.2 142.2 179.5 -138.3 13.5 127.4 45 -2.7 44 -1.6 0 0.0 0 0.0 9 44
42 D 42 PRO P T T 3 TS+ 0 0 -74.1 -7.9 179.8 62.6 108.9 54.4 0 0.0 0 0.0 0 0.0 0 0.0 8 40
43 D 43 THR T T T 3 TS- 0 0 -95.3 5.1 177.2 -87.8 127.1 73.4 0 0.0 0 0.0 0 0.0 0 0.0 8 38
44 D 44 ALA A S t < TS+ 0 0 96.3 137.6 178.0 44.8 79.6 66.9 41 -1.6 0 0.0 0 0.0 0 0.0 8 30
45 D 45 GLY G S e S- 0 0 93.1 163.6 179.4 -56.1 79.7 88.8 0 0.0 41 -2.7 0 0.0 0 0.0 8 24
46 D 46 ALA A E E BC - 40 0 -79.4 148.6 177.3 -179.7 48.1 119.3 0 0.0 0 0.0 0 0.0 0 0.0 9 28
47 D 47 ALA A E E BC - 39 0 -141.1 160.8 178.8 -132.6 22.7 159.3 39 -2.4 39 -2.6 0 0.0 49 -0.5 11 35
48 D 48 VAL V E E BCB - 38 9 -121.4 115.8 179.4 -143.1 18.6 164.4 9 -1.9 9 -2.8 0 0.0 0 0.0 11 37
49 D 49 MET M E E BC - 37 0 -75.5 148.8 -179.1 -121.0 22.6 118.9 37 -3.1 37 -1.2 47 -0.5 0 0.0 14 44
50 D 50 ARG R - 0 0 -89.0 155.9 177.2 -103.3 24.3 123.4 0 0.0 0 0.0 0 0.0 0 0.0 14 34
51 D 51 GLU E S S S+ 0 0 -72.8 130.2 -180.0 15.9 97.5 128.7 0 0.0 0 0.0 0 0.0 0 0.0 11 29
52 D 52 GLY G E E AB S+ 33 0 108.6 -144.0 -179.5 2.3 120.3 147.2 33 -2.7 33 -2.1 0 0.0 0 0.0 9 29
53 D 53 GLU E E E AB - 32 0 -91.6 134.8 179.5 -167.0 61.8 134.3 0 0.0 6 -3.1 0 0.0 0 0.0 12 34
54 D 54 ASN N E E ABa - 31 6 -116.6 149.3 179.2 -167.5 4.0 151.2 31 -3.2 31 -1.4 0 0.0 0 0.0 16 46
55 D 55 LEU L E E AB + 30 0 -139.4 130.2 179.2 173.1 9.3 176.1 6 -2.8 0 0.0 0 0.0 0 0.0 14 49
56 D 56 VAL V E E AB - 29 0 -137.9 144.5 177.7 -144.0 19.2 172.2 29 -1.4 29 -2.3 0 0.0 0 0.0 9 60
57 D 57 TYR Y E E AB + 28 0 -111.3 139.3 -179.0 179.6 19.5 155.3 0 0.0 0 0.0 0 0.0 0 0.0 9 60
58 D 58 PHE F E E AB - 27 0 -134.0 159.4 -178.0 -128.9 34.2 156.6 27 -2.5 27 -2.3 0 0.0 0 0.0 12 48
59 D 59 ALA A S S S+ 0 0 -80.5 -25.1 -176.9 41.4 90.5 41.8 0 0.0 0 0.0 0 0.0 0 0.0 13 39
60 D 60 ARG R S h > > TS- 0 0 -131.1 148.2 179.0 -132.2 70.5 162.6 0 0.0 64 -1.4 0 0.0 63 -1.0 8 37
61 D 61 LYS K H H > 3 TS+ 0 0 -58.7 -37.7 -178.5 59.9 110.9 28.4 0 0.0 65 -2.5 0 0.0 0 0.0 10 40
62 D 62 GLU E H H > 3 TS+ 0 0 -63.3 -28.4 -179.8 54.2 99.8 37.2 0 0.0 66 -1.6 0 0.0 0 0.0 6 32
63 D 63 GLN Q H H > < TS+ 0 0 -72.6 -37.1 177.8 49.5 108.4 28.0 60 -1.0 67 -1.8 0 0.0 0 0.0 10 40
64 D 64 CYS C H H X TS+ 0 0 -63.5 -53.3 -179.9 46.2 113.1 16.0 60 -1.4 68 -2.0 0 0.0 0 0.0 13 50
65 D 65 LEU L H H X TS+ 0 0 -63.6 -26.0 179.9 54.8 109.5 38.0 61 -2.5 69 -2.6 0 0.0 0 0.0 8 45
66 D 66 ALA A H H X TS+ 0 0 -74.2 -37.0 179.3 50.6 106.9 25.5 62 -1.6 70 -2.7 0 0.0 0 0.0 10 36
67 D 67 LEU L H H X >TS+ 0 0 -64.4 -40.1 179.5 45.9 114.1 25.6 63 -1.8 71 -2.0 0 0.0 72 -1.7 11 51
68 D 68 ALA A H H X >TS+ 0 0 -65.4 -57.4 -177.3 42.2 116.7 9.7 64 -2.0 73 -2.2 0 0.0 72 -0.8 10 46
69 D 69 ALA A H H < 5TS+ 0 0 -59.2 -42.6 -177.7 28.9 127.8 29.2 65 -2.6 0 0.0 0 0.0 0 0.0 9 33
70 D 70 GLN Q H H < 5TS+ 0 0 -96.9 -18.7 -179.3 21.9 134.7 48.1 66 -2.7 0 0.0 0 0.0 0 0.0 8 29
71 D 71 GLN Q H H < 5TS+ 0 0 -117.6 -36.2 -177.8 36.6 124.9 42.4 67 -2.0 0 0.0 0 0.0 0 0.0 11 43
72 D 72 LEU L T h < >XTS+ 0 0 -84.5 -64.8 178.9 46.8 114.0 12.8 67 -1.7 75 -2.1 68 -0.8 77 -1.1 12 44
73 D 73 ARG R G G > T - 0 0 -89.6 164.7 -179.8 -103.5 36.6 115.3 90 -2.5 89 -1.0 84 -0.5 0 0.0 12 30
87 D 87 PRO P T T 3 TS+ 0 0 -54.6 -29.2 176.1 67.0 120.5 36.1 0 0.0 0 0.0 0 0.0 0 0.0 9 23
88 D 88 ASP D T T 3 TS- 0 0 -49.7 -53.6 -176.0 -111.7 117.8 28.6 0 0.0 0 0.0 0 0.0 0 0.0 5 18
89 D 89 GLY G t < T + 0 0 127.9 -15.6 179.2 149.3 69.1 90.4 86 -1.0 0 0.0 0 0.0 0 0.0 6 23
90 D 90 GLU E e - 0 0 -51.7 122.6 -178.3 -162.5 30.1 104.6 0 0.0 86 -2.5 0 0.0 0 0.0 7 23
91 D 91 THR T E E AD - 85 0 -115.5 126.1 -178.2 -172.7 7.2 161.7 0 0.0 0 0.0 0 0.0 0 0.0 9 33
92 D 92 VAL V E E AD - 84 0 -125.4 129.6 179.3 -130.1 22.6 168.3 84 -2.4 84 -2.5 0 0.0 0 0.0 7 30
93 D 93 LEU L E E AD + 83 0 -75.3 132.0 -178.9 164.3 33.7 126.0 0 0.0 0 0.0 0 0.0 0 0.0 10 36
94 D 94 ILE I E E A* > T + 0 0 -127.0 -11.9 179.4 72.9 46.2 58.8 82 -3.0 97 -0.7 0 0.0 0 0.0 9 35
95 D 95 HIS H E E AD 3 TS+ 82 0 -162.3 125.5 -1.5 23.2 101.4 153.8 82 -1.2 82 -2.7 0 0.0 0 0.0 10 36
96 D 96 PRO P T T > TS- 0 0 -65.7 108.6 -179.2 -166.4 89.6 75.7 0 0.0 99 -2.1 0 0.0 0 0.0 11 36
97 D 97 LYS K T T < TS+ 0 0 -36.4 -53.4 -177.8 21.2 82.6 30.9 94 -0.7 0 0.0 0 0.0 0 0.0 9 30
98 D 98 ASP D T T 3 TS- 0 0 -111.5 27.4 179.1 -94.4 117.1 87.8 100 -0.5 0 0.0 0 0.0 0 0.0 6 23
99 D 99 GLY G S t < TS+ 0 0 87.1 -28.2 -179.6 88.4 105.2 86.7 96 -2.1 0 0.0 0 0.0 0 0.0 6 25
100 D 100 VAL V S S S- 0 0 -109.3 133.1 178.6 -107.6 88.0 153.1 0 0.0 98 -0.5 0 0.0 0 0.0 8 21
101 D 101 PHE F - 0 0 -50.7 147.9 -179.7 -122.2 27.3 97.3 0 0.0 0 0.0 0 0.0 0 0.0 9 26
102 D 102 PRO P S S S+ 0 0 -68.8 -22.1 178.4 68.5 106.5 41.2 0 0.0 0 0.0 0 0.0 0 0.0 7 26
103 D 103 GLU E S S S+ 0 0 -61.1 -42.4 -179.7 66.9 93.2 27.5 0 0.0 0 0.0 0 0.0 0 0.0 4 18
104 D 104 LYS K S S S- 0 0 -87.3 128.0 179.3 -116.8 93.1 136.7 0 0.0 0 0.0 0 0.0 0 0.0 6 17
105 D 105 VAL V - 0 0 -57.0 148.0 -179.7 -171.2 35.4 104.0 0 0.0 0 0.0 0 0.0 0 0.0 5 16
106 D 106 ASN N t > T - 0 0 -149.5 132.7 179.1 -116.4 24.4 170.2 0 0.0 109 -1.4 0 0.0 0 0.0 6 15
107 D 107 LYS K T T 3 TS+ 0 0 -62.9 151.3 -179.2 46.0 98.7 107.2 0 0.0 0 0.0 0 0.0 0 0.0 4 14
108 D 108 GLY G T T 3 TS+ 0 0 103.9 -31.5 179.7 114.5 83.6 92.3 0 0.0 0 0.0 0 0.0 0 0.0 4 15
109 D 109 ARG R t < T - 0 0 -77.7 128.3 177.0 -152.0 53.7 126.9 106 -1.4 0 0.0 0 0.0 0 0.0 5 18
110 D 110 GLU E - 0 0 -101.1 144.2 -179.4 -102.6 25.7 142.4 0 0.0 0 0.0 0 0.0 0 0.0 4 14
111 D 111 ALA A - 0 0 -66.4 120.8 177.9 -162.1 35.4 117.0 0 0.0 0 0.0 0 0.0 0 0.0 5 15
112 D 112 VAL V + 0 0 -108.2 131.3 179.3 5.2 68.5 156.2 0 0.0 0 0.0 0 0.0 0 0.0 4 13
113 D 113 ASN N S S S+ 0 0 69.8 41.9 179.6 162.9 79.9 31.6 0 0.0 0 0.0 0 0.0 0 0.0 4 15
114 D 114 SER S - 0 0 -89.7 143.2 177.2 -156.1 25.1 132.1 0 0.0 0 0.0 0 0.0 0 0.0 6 17
115 D 115 VAL V - 0 0 -124.2 117.0 -179.1 -140.5 13.4 169.1 0 0.0 117 -2.3 0 0.0 0 0.0 8 19
116 D 116 PRO P S S S+ 0 0 -72.2 59.2 -177.9 53.7 76.9 110.9 0 0.0 0 0.0 0 0.0 0 0.0 5 16
117 D 117 ARG R S S S- 0 0 -178.4 164.4 177.6 -85.8 92.0 163.9 115 -2.3 0 0.0 0 0.0 0 0.0 6 14
118 D 118 SER S g > T - 0 0 -83.4 153.0 -176.9 -110.5 47.2 127.9 0 0.0 121 -2.3 0 0.0 0 0.0 7 14
119 D 119 ILE I G G > TS+ 0 0 -53.8 -38.3 179.6 65.9 113.8 31.8 0 0.0 122 -2.0 0 0.0 0 0.0 5 17
120 D 120 GLY G G G 3 TS+ 0 0 -60.6 -12.2 -179.1 64.6 93.4 50.9 0 0.0 0 0.0 0 0.0 0 0.0 4 14
121 D 121 GLN Q G G < T + 0 0 -93.7 1.8 -179.5 124.6 69.1 62.6 118 -2.3 0 0.0 0 0.0 0 0.0 6 17
122 D 122 ASN N g < T - 0 0 -59.4 146.5 179.3 -105.8 68.6 104.9 119 -2.0 0 0.0 0 0.0 0 0.0 9 20
123 D 123 PRO P - 0 0 -69.0 159.7 178.5 -97.0 39.5 107.4 0 0.0 0 0.0 0 0.0 0 0.0 8 22
124 D 124 ASN N h > > T - 0 0 -81.7 135.4 179.6 -129.7 22.0 130.4 0 0.0 127 -2.4 0 0.0 128 -0.9 7 19
125 D 125 PRO P H H > > TS+ 0 0 -51.9 -31.6 177.9 66.3 109.6 35.3 0 0.0 128 -0.6 0 0.0 129 -0.6 8 18
126 D 126 SER S H H 4 > TS+ 0 0 -57.2 -32.8 179.7 52.1 100.5 31.5 0 0.0 129 -0.6 0 0.0 0 0.0 5 14
127 D 127 GLN Q H H 4 < TS+ 0 0 -73.8 -28.0 -178.2 50.3 108.2 37.8 124 -2.4 0 0.0 0 0.0 0 0.0 6 16
128 D 128 LEU L H H < X TS+ 0 0 -94.5 4.4 -179.6 140.1 75.7 68.0 124 -0.9 131 -2.1 125 -0.6 0 0.0 12 16
129 D 129 LYS K T h < < TS+ 0 0 -51.0 137.3 177.8 3.0 77.3 100.4 126 -0.6 0 0.0 125 -0.6 0 0.0 7 13
130 D 130 PHE F T T 3 TS+ 0 0 60.8 11.4 172.6 93.9 110.2 54.5 0 0.0 0 0.0 0 0.0 0 0.0 4 11
131 D 131 THR T S t < TS- 0 0 -108.5 178.6 178.7 -126.5 84.5 125.7 128 -2.1 0 0.0 0 0.0 0 0.0 5 14
132 D 132 GLY G + 0 0 -113.4 14.8 -178.6 129.7 66.1 75.9 0 0.0 0 0.0 0 0.0 0 0.0 6 15
133 D 133 LYS K - 0 0 -70.4 148.4 179.3 -140.7 49.3 109.9 0 0.0 0 0.0 0 0.0 0 0.0 6 17
134 D 134 LYS K t > T - 0 0 -106.2 153.4 179.8 -119.5 21.1 137.8 0 0.0 137 -1.6 0 0.0 0 0.0 7 21
135 D 135 PRO P T T 3 TS+ 0 0 -60.6 -32.5 -178.8 47.8 116.9 35.7 0 0.0 0 0.0 0 0.0 0 0.0 9 25
136 D 136 TYR Y T T 3 TS+ 0 0 -93.4 6.5 177.2 121.5 81.5 72.9 0 0.0 0 0.0 0 0.0 0 0.0 7 24
137 D 137 ASP D t < T 0 0 -69.5 134.8 179.9 999.9 999.9 122.8 134 -1.6 0 0.0 0 0.0 0 0.0 6 24
138 D 138 PRO P 0 0 -42.6 999.9 999.9 999.9 999.9 95.7 0 0.0 0 0.0 0 0.0 0 0.0 5 21
1jb0D.pdb
1JB0 PHOTOSYNTHESIS MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand B B TTS THHHHT EEEEEEEESS EEEE TTSSEEEE SEEEEEEESSHHHHHHHHHHHTGGGT EEEEE TT EEEEETTTSS Kabs/Sand
chirality +++----+----++---+++++------+---+-+-+---+-+------++--+-+-+-++++++++++++++-++++-------+-+---+++-+-+- chirality
bends S SSS SSSSSS SS SSSS SS SSSSSSSSSSSSSSSSSS SS SSSSSS bends
turns TTTT TTTTTTTT TTTT TTTTTTTTTTTTTTTTTT TTTT TTTTTT turns
5-turns >5555< >>555X<555< 5-turns
3-turns >33< >>3<< >33< >33< >>3<< >33< >3><3< 3-turns
bridge-2 BBBBBBB B a DDDD bridge-2
bridge-1 a B AAAAA CCCC CCCC BBBBBBB AAAAA DDD*D bridge-1
sheets AAAAAAAA BBBB BBBB AAAAAAA AAAAA AAAAA sheets
4-turns >>44<< >>>>XXXXX<<<< 4-turns
summary B B tTTt thHHHHhtEEEEEEEESS EEEEeTTteEEEE SEEEEEEEShHHHHHHHHHHHhGGGgt EEEEEeTTteEEEEETTTtS summary
sequence TTLTGQPPLYGGSTGGLLSAADTEEKYAITWTSPKEQVFEMPTAGAAVMREGENLVYFARKEQCLALAAQQLRPRKINDYKIYRIFPDGETVLIHPKDGV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SSS TT S SS GGG HHHHTTS TT Kabs/Sand
chirality -++---++---++--+--+++---++++++-+--++ chirality
bends SSS SS S SS SS SSSSSSS SS bends
turns TTTT TTTTT TTTTTTTT TTTT turns
5-turns 5-turns
3-turns >33< >>3<< >>>33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>44<< 4-turns
summary SSS tTTt S SSgGGGg hHHHHhTt tTTt summary
sequence FPEKVNKGREAVNSVPRSIGQNPNPSQLKFTGKKPYDP sequence
110 120 130