Secondary structure calculation program - copyright by David Keith Smith, 1989
5rubA.pdb
5RUB LYASE(CARBON-CARBON) RUBISCO (RIBULOSE-1,5-BISPHOSPHATE (RHODOSPIRILLUM $RUBRUM) EXPRESSED IN (ESCHERICHIA
Sequence length - 436
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 2 ASP D 0 0 999.9 59.7 179.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 31
2 A 3 GLN Q t > T + 0 0 145.8 65.2 178.4 173.8 999.9 76.1 0 0.0 6 -3.2 0 0.0 4 -1.4 10 31
3 A 4 SER S T T 4 TS+ 0 0 -78.4 37.0 -177.7 37.9 95.0 100.4 0 0.0 0 0.0 0 0.0 0 0.0 11 34
4 A 5 SER S T T 4 TS+ 0 0 -162.4 -31.9 -179.5 51.5 115.5 81.4 2 -1.4 0 0.0 0 0.0 0 0.0 7 30
5 A 6 ARG R T T 4 TS+ 0 0 -83.1 -44.1 -177.4 33.4 118.7 31.1 0 0.0 0 0.0 0 0.0 0 0.0 9 36
6 A 7 TYR Y S t < TS+ 0 0 -96.9 11.3 -178.4 75.2 110.6 79.5 2 -3.2 59 -1.8 0 0.0 0 0.0 15 42
7 A 8 VAL V B B a + 59 0 -132.0 125.5 177.0 163.1 41.9 177.4 0 0.0 0 0.0 0 0.0 0 0.0 13 45
8 A 9 ASN N t > T + 0 0 -140.6 80.8 -178.5 172.2 4.9 136.2 59 -2.7 11 -1.4 0 0.0 0 0.0 11 41
9 A 10 LEU L T T 3 TS+ 0 0 -72.2 -4.4 179.4 67.8 70.5 63.1 0 0.0 0 0.0 0 0.0 0 0.0 8 35
10 A 11 ALA A T T 3 TS+ 0 0 -96.8 3.4 -179.7 115.5 73.2 69.9 0 0.0 0 0.0 0 0.0 0 0.0 5 24
11 A 12 LEU L t < T - 0 0 -75.5 140.4 178.9 -131.4 66.2 123.8 8 -1.4 13 -0.6 0 0.0 0 0.0 8 33
12 A 13 LYS K h > > T - 0 0 -94.3 117.9 179.7 -145.9 4.2 148.5 0 0.0 16 -2.0 0 0.0 15 -1.0 7 25
13 A 14 GLU E H H > 3 TS+ 0 0 -49.1 -32.6 179.6 57.1 104.5 40.0 11 -0.6 17 -2.2 0 0.0 0 0.0 7 40
14 A 15 GLU E H H > 3 TS+ 0 0 -67.5 -40.1 177.7 50.9 104.8 29.7 0 0.0 18 -2.7 0 0.0 0 0.0 6 28
15 A 16 ASP D H H > < TS+ 0 0 -60.5 -53.6 -179.9 49.6 109.6 18.3 12 -1.0 19 -2.7 0 0.0 0 0.0 8 28
16 A 17 LEU L H H X >TS+ 0 0 -51.8 -45.2 -178.7 46.3 114.0 29.4 12 -2.0 20 -1.5 0 0.0 21 -0.6 12 42
17 A 18 ILE I H H < 5TS+ 0 0 -61.9 -56.1 -179.7 46.4 113.0 16.3 13 -2.2 0 0.0 0 0.0 0 0.0 10 39
18 A 19 ALA A H H < 5TS+ 0 0 -55.1 -43.4 179.2 61.9 106.6 27.2 14 -2.7 0 0.0 0 0.0 0 0.0 6 26
19 A 20 GLY G H H < 5TS- 0 0 -53.9 -44.3 179.0 -158.0 87.1 28.0 15 -2.7 0 0.0 0 0.0 0 0.0 7 26
20 A 21 GLY G T h < 5T + 0 0 71.8 19.4 -178.4 102.1 62.4 48.7 16 -1.5 0 0.0 0 0.0 0 0.0 9 37
21 A 22 GLU E e T - 0 0 -41.8 162.2 178.0 -66.7 63.6 85.3 105 -2.6 34 -0.9 0 0.0 35 -0.5 9 30
33 A 34 ALA A T T 3 TS+ 0 0 -56.0 92.4 -179.7 8.9 124.1 117.2 0 0.0 0 0.0 0 0.0 0 0.0 4 19
34 A 35 GLY G T T 3 TS+ 0 0 130.7 -45.8 -178.6 112.2 92.9 98.5 32 -0.9 0 0.0 0 0.0 0 0.0 5 16
35 A 36 TYR Y S t < TS- 0 0 -68.3 145.4 -179.9 -101.7 72.3 112.1 32 -0.5 0 0.0 0 0.0 0 0.0 9 25
36 A 37 GLY G h > T - 0 0 -69.4 141.1 -178.6 -133.7 22.9 114.9 0 0.0 40 -2.1 0 0.0 0 0.0 7 32
37 A 38 TYR Y H H > TS+ 0 0 -60.9 -56.6 -178.7 40.8 104.0 22.3 0 0.0 41 -1.8 0 0.0 0 0.0 9 44
38 A 39 VAL V H H > TS+ 0 0 -64.1 -43.6 179.8 51.0 115.7 25.5 0 0.0 42 -2.5 0 0.0 0 0.0 9 48
39 A 40 ALA A H H > TS+ 0 0 -61.2 -42.8 -179.1 45.4 113.7 24.4 0 0.0 43 -2.3 0 0.0 0 0.0 10 45
40 A 41 THR T H H X TS+ 0 0 -67.5 -32.9 -179.7 52.4 110.6 36.2 36 -2.1 44 -2.0 0 0.0 0 0.0 12 52
41 A 42 ALA A H H X TS+ 0 0 -69.4 -36.4 177.4 50.8 109.7 36.5 37 -1.8 45 -2.2 0 0.0 0 0.0 12 62
42 A 43 ALA A H H X TS+ 0 0 -62.9 -44.4 -179.8 51.2 109.5 27.3 38 -2.5 46 -2.5 0 0.0 0 0.0 17 54
43 A 44 HIS H H H X TS+ 0 0 -63.5 -42.4 176.5 49.2 109.0 25.1 39 -2.3 47 -2.4 0 0.0 0 0.0 12 53
44 A 45 PHE F H H X TS+ 0 0 -67.1 -43.9 178.1 49.9 111.6 19.9 40 -2.0 48 -1.4 0 0.0 0 0.0 9 66
45 A 46 ALA A H H < TS+ 0 0 -56.3 -54.4 180.0 44.1 113.7 20.8 41 -2.2 0 0.0 0 0.0 0 0.0 14 67
46 A 47 ALA A H H < > TS+ 0 0 -55.5 -53.9 179.9 50.5 114.1 14.3 42 -2.5 49 -2.0 0 0.0 0 0.0 14 50
47 A 48 GLU E H H < 3 TS+ 0 0 -59.4 -26.2 179.1 49.6 110.8 47.1 43 -2.4 0 0.0 0 0.0 0 0.0 10 44
48 A 49 SER S T h < 3 TS+ 0 0 -97.7 7.0 -178.4 15.4 128.1 78.0 44 -1.4 0 0.0 0 0.0 0 0.0 12 59
49 A 50 SER S S t < TS+ 0 0 -138.2 -94.5 -177.4 17.8 118.1 74.4 46 -2.0 0 0.0 0 0.0 0 0.0 12 48
50 A 51 THR T - 0 0 -100.7 125.7 -179.6 -146.3 56.7 143.0 0 0.0 0 0.0 0 0.0 0 0.0 9 37
51 A 52 GLY G 0 0 -54.6 -94.1 178.5 999.9 999.9 21.9 0 0.0 0 0.0 0 0.0 0 0.0 5 26
52!A 53 THR T 0 0 -163.5 999.9 999.9 999.9 999.9 102.2 0 0.0 0 0.0 0 0.0 0 0.0 2 19
53!A 65 ARG R 0 0 999.9 -87.7 -179.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 38
54 A 66 GLY G + 0 0 -38.0 -59.0 177.2 1.8 999.9 48.4 0 0.0 0 0.0 0 0.0 0 0.0 5 30
55 A 67 VAL V S S S+ 0 0 -116.0 -8.1 177.0 96.1 117.4 64.1 0 0.0 0 0.0 0 0.0 0 0.0 10 32
56 A 68 ASP D S S S- 0 0 -77.7 141.2 175.4 -122.4 79.0 128.1 0 0.0 0 0.0 0 0.0 0 0.0 12 41
57 A 69 ALA A - 0 0 -84.1 134.9 179.3 -147.6 32.4 132.2 0 0.0 0 0.0 0 0.0 0 0.0 16 59
58 A 70 LEU L E E AC - 72 0 -116.2 141.8 174.6 -137.7 16.5 154.5 72 -2.2 72 -3.7 0 0.0 60 -0.7 14 57
59 A 71 VAL V E E ACa + 71 7 -86.5 110.6 -179.1 170.5 30.3 147.8 6 -1.8 8 -2.7 0 0.0 0 0.0 16 59
60 A 72 TYR Y E E A* + 0 0 -102.8 -14.3 177.8 17.0 62.5 56.5 70 -1.8 0 0.0 58 -0.7 0 0.0 14 52
61 A 73 GLU E E E AC + 70 0 -161.3 148.1 -179.6 175.7 58.2 169.0 70 -1.3 70 -2.8 0 0.0 0 0.0 10 47
62 A 74 VAL V E E AC - 69 0 -150.4 147.2 178.0 -160.2 16.3 169.4 0 0.0 0 0.0 0 0.0 0 0.0 11 46
63 A 75 ASP D E E >AC >T - 68 0 -137.9 89.8 -178.5 -168.1 8.1 144.7 68 -2.5 68 -2.0 0 0.0 67 -1.0 8 31
64 A 76 GLU E T T 4 >5TS+ 0 0 -41.3 -52.7 178.7 46.6 89.1 25.5 0 0.0 67 -0.7 0 0.0 0 0.0 7 31
65 A 77 ALA A T T 4 35TS+ 0 0 -58.0 -52.9 -179.3 44.3 115.3 21.8 0 0.0 0 0.0 0 0.0 0 0.0 5 18
66 A 78 ARG R T T 4 35TS- 0 0 -79.9 -0.3 -178.6 -124.6 105.7 61.3 0 0.0 0 0.0 0 0.0 0 0.0 6 25
67 A 79 GLU E T e < <5T + 0 0 55.6 33.3 179.8 156.2 60.0 33.7 63 -1.0 29 -2.3 64 -0.7 69 -0.6 10 37
68 A 80 LEU L E E AAC T - 22 0 -50.1 136.5 178.3 -130.1 19.7 101.3 0 0.0 77 -1.6 0 0.0 0 0.0 12 51
75 A 87 VAL V G e > TS+ 0 0 -63.2 -19.4 -178.6 74.6 102.0 42.6 21 -2.5 78 -1.2 0 0.0 0 0.0 9 50
76 A 88 ALA A G G 3 TS+ 0 0 -65.8 -20.4 178.2 67.6 84.5 41.8 0 0.0 0 0.0 0 0.0 0 0.0 6 39
77 A 89 LEU L G G < TS+ 0 0 -68.6 -25.2 -174.3 95.1 81.3 46.2 74 -1.6 0 0.0 0 0.0 0 0.0 8 46
78 A 90 PHE F S g < TS- 0 0 -82.9 137.4 -179.6 -125.0 74.1 121.1 75 -1.2 0 0.0 0 0.0 0 0.0 9 45
79 A 91 ASP D - 0 0 -75.7 154.4 180.0 -173.2 27.6 115.2 0 0.0 88 -0.7 0 0.0 0 0.0 8 34
80 A 92 ARG R B B B - 87 0 -146.3 154.6 -176.4 -79.5 32.5 160.7 0 0.0 0 0.0 0 0.0 0 0.0 8 31
81 A 93 ASN N t > T - 0 0 -61.2 136.1 175.3 -155.3 16.9 109.4 86 -2.7 85 -1.5 0 0.0 0 0.0 9 24
82 A 94 ILE I T T 4 TS+ 0 0 -77.9 -26.0 -177.6 56.5 97.7 46.0 0 0.0 0 0.0 0 0.0 0 0.0 5 12
83 A 95 THR T T T 4 TS- 0 0 -72.6 -54.5 -177.7 -4.4 131.6 11.8 0 0.0 0 0.0 0 0.0 0 0.0 4 13
84 A 96 ASP D T T 4 TS- 0 0 -128.5 9.7 -179.8 -110.4 88.7 67.0 0 0.0 0 0.0 0 0.0 0 0.0 5 15
85 A 97 GLY G t < T + 0 0 83.6 -18.6 -179.4 142.1 69.0 84.0 81 -1.5 0 0.0 0 0.0 0 0.0 8 21
86 A 98 LYS K - 0 0 -65.6 150.6 178.8 -111.2 50.9 101.9 0 0.0 81 -2.7 0 0.0 0 0.0 9 32
87 A 99 ALA A B B B - 80 0 -67.9 167.4 -178.6 -146.1 24.7 97.2 123 -1.3 0 0.0 0 0.0 0 0.0 12 42
88 A 100 MET M h > T - 0 0 -144.4 133.9 179.2 -145.0 14.8 174.7 79 -0.7 92 -1.3 0 0.0 0 0.0 10 48
89 A 101 ILE I H H > TS+ 0 0 -71.0 -27.9 -179.1 71.2 97.9 39.0 0 0.0 93 -2.5 0 0.0 0 0.0 9 52
90 A 102 ALA A H H > TS+ 0 0 -52.2 -43.0 -178.4 44.0 102.1 22.3 0 0.0 94 -2.7 0 0.0 0 0.0 7 37
91 A 103 SER S H H > TS+ 0 0 -68.4 -46.7 177.8 54.8 109.4 23.9 0 0.0 95 -2.5 0 0.0 0 0.0 9 40
92 A 104 PHE F H H X TS+ 0 0 -53.7 -45.6 -176.8 44.1 113.3 19.5 88 -1.3 96 -2.5 0 0.0 0 0.0 10 58
93 A 105 LEU L H H X TS+ 0 0 -68.6 -45.6 179.7 52.2 111.3 21.9 89 -2.5 97 -2.6 0 0.0 0 0.0 9 54
94 A 106 THR T H H X TS+ 0 0 -56.2 -50.5 -178.0 39.9 116.4 22.9 90 -2.7 98 -1.2 0 0.0 0 0.0 9 40
95 A 107 LEU L H H < TS+ 0 0 -69.1 -46.7 -176.2 27.7 129.0 28.6 91 -2.5 0 0.0 0 0.0 0 0.0 10 52
96 A 108 THR T H H < TS+ 0 0 -98.8 -5.1 -177.7 18.0 139.7 54.7 92 -2.5 0 0.0 0 0.0 0 0.0 9 64
97 A 109 MET M H H < TS+ 0 0 -145.5 12.9 -178.4 97.9 100.7 82.3 93 -2.6 0 0.0 0 0.0 0 0.0 11 54
98 A 110 GLY G S h < > TS- 0 0 -74.5 -124.1 179.6 -13.3 97.6 46.0 94 -1.2 101 -2.3 0 0.0 0 0.0 10 38
99 A 111 ASN N G G > TS+ 0 0 -60.2 -11.2 179.2 80.6 120.7 50.6 0 0.0 102 -1.6 0 0.0 0 0.0 9 32
100 A 112 ASN N G G 3 TS+ 0 0 -72.8 -6.0 -179.0 66.5 80.8 61.3 0 0.0 0 0.0 0 0.0 0 0.0 10 46
101 A 113 GLN Q G G < TS+ 0 0 -95.1 1.7 -179.9 49.0 102.5 70.5 98 -2.3 0 0.0 0 0.0 0 0.0 10 42
102 A 114 GLY G S g < TS+ 0 0 -123.6 7.0 -179.9 131.9 78.8 76.5 99 -1.6 0 0.0 0 0.0 0 0.0 6 31
103 A 115 MET M - 0 0 -57.3 172.3 -179.0 -139.6 49.0 86.2 0 0.0 0 0.0 0 0.0 0 0.0 7 38
104 A 116 GLY G S S S+ 0 0 -105.2 -34.1 -179.9 50.1 94.8 43.9 0 0.0 0 0.0 0 0.0 0 0.0 6 31
105 A 117 ASP D S e S+ 0 0 -90.1 4.5 -179.2 80.0 101.1 71.6 0 0.0 32 -2.6 0 0.0 0 0.0 8 30
106 A 118 VAL V E E AB - 31 0 -118.5 127.8 178.8 -166.6 58.4 165.4 0 0.0 0 0.0 0 0.0 0 0.0 11 43
107 A 119 GLU E E E A* S- 0 0 -75.5 -52.6 178.7 -21.4 72.7 18.1 30 -2.4 0 0.0 0 0.0 0 0.0 9 35
108 A 120 TYR Y E E AB - 30 0 -154.5 158.8 180.0 -171.4 53.4 164.1 30 -1.1 30 -2.0 0 0.0 0 0.0 11 44
109 A 121 ALA A E E AB - 29 0 -151.6 126.2 179.7 -177.8 8.2 158.2 0 0.0 290 -0.9 0 0.0 0 0.0 13 59
110 A 122 LYS K E E ABd - 28 290 -135.9 134.9 177.7 -127.9 25.4 176.0 28 -1.9 28 -2.8 0 0.0 0 0.0 12 56
111 A 123 MET M E E ABd + 27 291 -80.3 126.1 178.2 173.1 27.2 131.6 290 -2.0 292 -2.0 0 0.0 0 0.0 15 63
112 A 124 HIS H E E A* - 0 0 -104.2 -24.5 -178.6 -6.7 64.1 52.4 26 -2.0 0 0.0 0 0.0 0 0.0 14 56
113 A 125 ASP D E E AB - 26 0 -170.0 161.7 179.0 -164.0 54.3 163.0 26 -1.2 26 -2.4 0 0.0 0 0.0 13 54
114 A 126 PHE F E E AB - 25 0 -151.2 156.9 177.4 -145.1 10.8 163.5 0 0.0 0 0.0 0 0.0 0 0.0 12 67
115 A 127 TYR Y E E AB - 24 0 -128.7 126.2 175.8 -166.1 9.1 170.6 24 -2.7 24 -1.8 0 0.0 0 0.0 10 61
116 A 128 VAL V - 0 0 -115.6 121.7 177.2 -135.9 17.9 157.5 0 0.0 0 0.0 0 0.0 0 0.0 10 65
117 A 129 PRO P h > > T - 0 0 -68.8 164.5 -179.4 -98.3 30.4 100.5 0 0.0 121 -3.3 0 0.0 120 -0.6 11 47
118 A 130 GLU E H H > 3 TS+ 0 0 -48.1 -48.8 -179.0 56.3 118.8 35.4 0 0.0 122 -2.1 0 0.0 0 0.0 9 37
119 A 131 ALA A H H 4 3 TS+ 0 0 -55.5 -41.5 179.1 33.3 118.1 33.9 0 0.0 0 0.0 0 0.0 0 0.0 8 39
120 A 132 TYR Y H H 4 X TS+ 0 0 -81.9 -59.4 178.0 54.6 115.9 20.0 117 -0.6 123 -3.4 0 0.0 0 0.0 10 48
121 A 133 ARG R H H < > TS+ 0 0 -44.1 -44.7 -179.3 59.8 102.6 23.8 117 -3.3 124 -2.3 0 0.0 0 0.0 10 51
122 A 134 ALA A T h < 3 TS+ 0 0 -63.2 -13.6 -180.0 64.3 94.7 49.6 118 -2.1 0 0.0 0 0.0 0 0.0 6 40
123 A 135 LEU L T T < TS+ 0 0 -90.3 -4.1 -178.8 96.5 85.9 57.4 120 -3.4 87 -1.3 0 0.0 0 0.0 9 45
124 A 136 PHE F S t < TS- 0 0 -88.3 151.5 -179.5 -126.0 78.3 122.9 121 -2.3 0 0.0 0 0.0 0 0.0 11 51
125 A 137 ASP D - 0 0 -54.7 -56.0 -177.3 -173.8 42.1 22.6 0 0.0 0 0.0 0 0.0 0 0.0 10 53
126 A 138 GLY G - 0 0 70.2 164.4 179.1 -42.6 43.2 78.8 302 -2.3 0 0.0 0 0.0 0 0.0 11 59
127 A 139 PRO P - 0 0 -62.0 138.4 179.0 -164.9 43.9 103.9 0 0.0 340 -0.5 0 0.0 0 0.0 15 56
128 A 140 SER S S S S+ 0 0 -91.0 -34.5 -177.8 0.5 77.4 41.7 304 -0.5 0 0.0 0 0.0 0 0.0 12 47
129 A 141 VAL V - 0 0 -150.7 161.4 178.0 -179.5 67.3 155.8 0 0.0 0 0.0 0 0.0 0 0.0 13 50
130 A 142 ASN N h > > T - 0 0 -144.6 -160.5 177.1 -47.4 60.3 130.2 0 0.0 133 -2.3 0 0.0 134 -0.7 14 64
131 A 143 ILE I H H > > TS+ 0 0 -51.0 -26.1 179.7 74.4 124.1 39.7 0 0.0 135 -3.5 0 0.0 134 -0.7 13 67
132 A 144 SER S H H > 3 TS+ 0 0 -62.8 -25.4 177.6 56.9 90.9 34.3 0 0.0 136 -2.2 0 0.0 0 0.0 10 47
133 A 145 ALA A H H > < TS+ 0 0 -68.1 -37.1 179.9 41.6 111.7 30.6 130 -2.3 137 -1.3 0 0.0 0 0.0 11 52
134 A 146 LEU L H H X < TS+ 0 0 -74.2 -48.2 179.8 58.0 109.2 23.6 131 -0.7 138 -2.3 130 -0.7 0 0.0 11 58
135 A 147 TRP W H H X >TS+ 0 0 -48.9 -54.9 179.5 52.2 105.7 20.0 131 -3.5 140 -2.1 0 0.0 139 -0.8 13 45
136 A 148 LYS K H H < >5TS+ 0 0 -46.9 -51.5 179.7 48.3 108.8 27.1 132 -2.2 139 -1.3 0 0.0 0 0.0 10 35
137 A 149 VAL V H H < 35TS+ 0 0 -61.9 -39.4 -178.5 53.0 110.1 26.6 133 -1.3 0 0.0 0 0.0 0 0.0 10 42
138 A 150 LEU L H H < 35TS- 0 0 -71.2 -10.2 -178.1 -113.8 116.4 60.6 134 -2.3 0 0.0 0 0.0 0 0.0 9 47
139 A 151 GLY G T h < <5TS+ 0 0 77.3 31.5 177.1 135.4 74.1 38.7 136 -1.3 0 0.0 135 -0.8 0 0.0 7 27
140 A 152 ARG R t T - 0 0 -77.8 166.7 -177.3 -91.6 38.6 108.3 0 0.0 164 -2.4 0 0.0 0 0.0 9 32
161 A 173 PRO P H H > TS+ 0 0 -48.9 -53.9 -177.5 42.7 123.2 33.3 0 0.0 165 -2.0 0 0.0 0 0.0 12 38
162 A 174 LYS K H H > TS+ 0 0 -64.3 -57.9 176.5 47.3 115.7 9.9 0 0.0 166 -3.1 0 0.0 0 0.0 8 31
163 A 175 PRO P H H > TS+ 0 0 -49.5 -40.4 -178.2 49.9 114.0 33.0 0 0.0 167 -1.6 0 0.0 0 0.0 8 33
164 A 176 PHE F H H X TS+ 0 0 -67.0 -44.4 -177.2 46.1 111.9 23.9 160 -2.4 168 -1.0 0 0.0 0 0.0 12 48
165 A 177 ALA A H H X TS+ 0 0 -67.4 -38.6 177.3 53.2 110.9 30.0 161 -2.0 169 -2.8 0 0.0 0 0.0 12 54
166 A 178 GLU E H H X TS+ 0 0 -66.0 -39.5 179.0 51.7 106.7 26.8 162 -3.1 170 -2.8 0 0.0 0 0.0 9 40
167 A 179 ALA A H H X TS+ 0 0 -65.1 -31.0 -178.9 48.7 111.9 34.3 163 -1.6 171 -1.8 0 0.0 0 0.0 9 48
168 A 180 CYS C H H X TS+ 0 0 -71.5 -51.5 -179.1 48.6 110.9 23.5 164 -1.0 172 -2.1 0 0.0 0 0.0 13 58
169 A 181 HIS H H H < TS+ 0 0 -53.0 -47.0 -179.5 52.3 111.4 24.4 165 -2.8 0 0.0 0 0.0 0 0.0 13 50
170 A 182 ALA A H H < > TS+ 0 0 -64.0 -48.6 179.3 44.3 110.2 31.0 166 -2.8 173 -1.4 0 0.0 0 0.0 9 49
171 A 183 PHE F H H X > TS+ 0 0 -66.2 -32.5 -179.7 63.3 105.5 35.1 167 -1.8 175 -3.1 0 0.0 174 -1.5 11 60
172 A 184 TRP W T h < 3 TS+ 0 0 -64.2 -10.5 -179.0 75.7 85.7 56.9 168 -2.1 0 0.0 0 0.0 0 0.0 13 58
173 A 185 LEU L T T 4 < TS+ 0 0 -75.1 -28.1 179.6 11.3 119.0 33.8 170 -1.4 0 0.0 0 0.0 0 0.0 9 46
174 A 186 GLY G T T 4 < TS+ 0 0 -113.9 -30.5 -176.0 54.5 124.8 47.9 171 -1.5 0 0.0 0 0.0 0 0.0 12 57
175 A 187 GLY G t < T - 0 0 -108.6 176.3 -177.4 -139.8 60.2 120.4 171 -3.1 0 0.0 0 0.0 0 0.0 12 64
176 A 188 ASP D S e S+ 0 0 -99.1 -42.8 -171.7 38.9 75.8 32.2 149 -2.7 215 -3.1 0 0.0 0 0.0 11 71
177 A 189 PHE F E E Bfg - 150 215 -127.6 137.3 177.1 -178.6 48.2 162.0 149 -2.1 151 -2.2 0 0.0 0 0.0 14 73
178 A 190 ILE I E E Bfg - 151 216 -131.0 139.1 176.2 -164.9 9.3 176.0 215 -1.8 217 -2.5 0 0.0 0 0.0 15 67
179 A 191 LYS K E E Bfg - 152 217 -122.7 144.4 170.7 -111.0 27.2 159.4 151 -2.2 153 -1.3 0 0.0 0 0.0 14 71
180 A 192 ASN N e - 0 0 -59.1 150.9 175.4 -107.3 42.4 109.4 217 -2.8 0 0.0 0 0.0 0 0.0 11 68
181 A 193 ASP D t > T - 0 0 -78.0 154.8 -178.3 -91.0 45.0 120.1 0 0.0 184 -1.5 0 0.0 0 0.0 11 52
182 A 194 GLU E T T 3 TS+ 0 0 -31.5 -60.1 -175.2 40.9 121.4 37.3 0 0.0 0 0.0 0 0.0 0 0.0 9 45
183 A 195 PRO P T T 3 TS+ 0 0 -77.7 -14.0 -177.1 116.1 82.3 54.4 0 0.0 0 0.0 0 0.0 0 0.0 8 43
184 A 196 GLN Q t < T + 0 0 -66.3 123.2 178.5 99.4 37.7 111.8 181 -1.5 0 0.0 0 0.0 0 0.0 10 49
185 A 197 GLY G S S S- 0 0 -159.6 -109.0 -176.7 -13.7 85.3 100.9 0 0.0 0 0.0 0 0.0 0 0.0 9 52
186 A 198 ASN N + 0 0 -113.2 51.4 177.5 160.0 66.9 110.8 0 0.0 0 0.0 0 0.0 0 0.0 8 39
187 A 199 GLN Q B B C > T - 190 0 -68.7 148.4 -175.6 -114.1 52.4 110.2 190 -0.6 190 -1.8 0 0.0 0 0.0 8 29
188 A 200 PRO P T T 3 TS+ 0 0 -58.4 -34.2 179.5 51.9 116.3 37.5 0 0.0 0 0.0 0 0.0 0 0.0 5 18
189 A 201 PHE F T T 3 TS+ 0 0 -81.4 -4.4 -178.6 28.4 123.1 63.2 0 0.0 0 0.0 0 0.0 0 0.0 6 24
190 A 202 ALA A B B C < TS- 187 0 -152.6 70.4 -177.1 -157.8 83.9 119.8 187 -1.8 187 -0.6 0 0.0 0 0.0 12 35
191 A 203 PRO P h > T - 0 0 -57.6 137.6 -178.5 -131.3 18.4 108.3 0 0.0 195 -2.6 0 0.0 0 0.0 11 32
192 A 204 LEU L H H > TS+ 0 0 -56.2 -47.6 -177.3 54.7 104.7 30.4 0 0.0 196 -3.2 0 0.0 0 0.0 9 51
193 A 205 ARG R H H > TS+ 0 0 -54.1 -47.8 -179.4 37.7 115.5 28.3 0 0.0 197 -1.4 0 0.0 0 0.0 8 37
194 A 206 ASP D H H > TS+ 0 0 -70.8 -50.8 -179.5 49.6 117.7 29.4 0 0.0 198 -1.9 0 0.0 0 0.0 9 33
195 A 207 THR T H H X TS+ 0 0 -57.3 -50.3 -178.2 49.5 111.0 26.8 191 -2.6 199 -2.8 0 0.0 0 0.0 14 49
196 A 208 ILE I H H X TS+ 0 0 -61.4 -43.7 -178.1 52.9 107.9 30.1 192 -3.2 200 -2.7 0 0.0 0 0.0 11 60
197 A 209 ALA A H H X TS+ 0 0 -58.5 -43.2 -179.2 45.4 113.1 24.1 193 -1.4 201 -1.4 0 0.0 0 0.0 10 42
198 A 210 LEU L H H X TS+ 0 0 -67.1 -41.9 179.2 52.0 111.7 29.0 194 -1.9 202 -2.3 0 0.0 0 0.0 11 41
199 A 211 VAL V H H X TS+ 0 0 -63.7 -42.5 -179.6 52.3 107.4 24.4 195 -2.8 203 -1.7 0 0.0 0 0.0 12 60
200 A 212 ALA A H H X TS+ 0 0 -57.5 -41.8 179.4 47.6 111.1 32.2 196 -2.7 204 -1.5 0 0.0 0 0.0 11 53
201 A 213 ASP D H H X TS+ 0 0 -67.4 -49.3 177.4 53.3 108.7 22.5 197 -1.4 205 -2.3 0 0.0 0 0.0 8 43
202 A 214 ALA A H H X TS+ 0 0 -54.7 -32.5 178.9 53.5 108.0 40.9 198 -2.3 206 -2.0 0 0.0 0 0.0 12 53
203 A 215 MET M H H X TS+ 0 0 -70.3 -49.1 -179.8 48.3 108.0 24.0 199 -1.7 207 -2.0 0 0.0 0 0.0 13 55
204 A 216 ARG R H H X TS+ 0 0 -59.1 -48.2 179.7 48.1 113.5 23.2 200 -1.5 208 -2.5 0 0.0 0 0.0 8 39
205 A 217 ARG R H H X TS+ 0 0 -58.8 -47.9 -179.8 45.7 112.7 32.0 201 -2.3 209 -2.6 0 0.0 0 0.0 9 35
206 A 218 ALA A H H X TS+ 0 0 -70.9 -30.6 -178.9 52.5 113.5 35.4 202 -2.0 210 -1.3 0 0.0 0 0.0 14 37
207 A 219 GLN Q H H X TS+ 0 0 -72.4 -45.2 176.4 42.7 112.9 25.2 203 -2.0 211 -1.9 0 0.0 0 0.0 11 41
208 A 220 ASP D H H < TS+ 0 0 -63.5 -51.6 -179.3 46.1 117.6 19.3 204 -2.5 0 0.0 0 0.0 0 0.0 8 23
209 A 221 GLU E H H < TS+ 0 0 -63.3 -28.1 -177.0 34.6 122.5 40.4 205 -2.6 0 0.0 0 0.0 0 0.0 6 24
210 A 222 THR T H H < TS- 0 0 -99.3 -29.1 -174.9 -135.4 89.5 42.6 206 -1.3 0 0.0 0 0.0 0 0.0 7 29
211 A 223 GLY G S h < TS+ 0 0 72.4 14.1 178.8 111.3 72.9 51.9 207 -1.9 0 0.0 0 0.0 0 0.0 6 22
212 A 224 GLU E S S S- 0 0 -119.9 145.5 178.0 -113.3 73.6 160.9 0 0.0 0 0.0 0 0.0 0 0.0 8 38
213 A 225 ALA A - 0 0 -71.5 144.6 -178.9 -156.4 34.4 113.1 0 0.0 0 0.0 0 0.0 0 0.0 10 46
214 A 226 LYS K - 0 0 -124.9 159.1 -177.4 -146.0 1.5 153.0 0 0.0 0 0.0 0 0.0 0 0.0 13 59
215 A 227 LEU L E E Bg - 177 0 -127.0 146.4 176.2 -167.5 7.9 160.7 176 -3.1 178 -1.8 0 0.0 0 0.0 12 72
216 A 228 PHE F E E Bgh - 178 246 -132.9 138.4 177.0 -153.6 11.6 174.0 245 -2.0 247 -2.9 0 0.0 218 -0.6 10 80
217 A 229 SER S E E Bgh - 179 247 -112.3 104.2 -176.1 -160.1 22.6 165.0 178 -2.5 180 -2.8 0 0.0 0 0.0 13 78
218 A 230 ALA A E E B h - 0 248 -96.5 122.7 179.7 -124.0 16.8 144.5 247 -2.6 249 -2.7 216 -0.6 0 0.0 11 73
219 A 231 ASN N E E B h + 0 249 -66.1 120.8 178.1 164.8 36.3 119.6 0 0.0 0 0.0 0 0.0 0 0.0 14 67
220 A 232 ILE I e + 0 0 -122.7 8.9 178.5 141.6 23.1 73.0 249 -3.1 0 0.0 0 0.0 0 0.0 11 62
221 A 233 THR T + 0 0 -56.0 136.0 178.1 147.1 17.1 105.0 249 -0.5 0 0.0 0 0.0 0 0.0 10 54
222 A 234 ALA A - 0 0 -158.7 168.4 178.4 -120.4 54.2 159.5 0 0.0 0 0.0 0 0.0 0 0.0 9 42
223 A 235 ASP D S S S+ 0 0 -84.0 -39.8 -177.7 68.1 98.9 27.0 0 0.0 0 0.0 0 0.0 0 0.0 8 31
224 A 236 ASP D S h > > TS- 0 0 -85.2 120.8 177.6 -147.8 75.1 142.2 0 0.0 227 -2.3 0 0.0 228 -1.8 6 27
225 A 237 PRO P H H > 3 TS+ 0 0 -51.6 -34.5 180.0 54.9 102.5 41.0 0 0.0 229 -2.5 0 0.0 0 0.0 10 33
226 A 238 PHE F H H > 3 TS+ 0 0 -74.0 -22.1 178.2 51.6 106.0 46.4 0 0.0 230 -1.1 0 0.0 0 0.0 6 26
227 A 239 GLU E H H > < TS+ 0 0 -78.3 -45.0 179.0 50.5 109.3 35.7 224 -2.3 231 -2.4 0 0.0 0 0.0 9 33
228 A 240 ILE I H H X TS+ 0 0 -58.1 -47.3 179.1 46.2 113.2 21.7 224 -1.8 232 -2.4 0 0.0 0 0.0 15 48
229 A 241 ILE I H H X TS+ 0 0 -63.4 -45.1 -178.0 50.2 111.6 25.6 225 -2.5 233 -2.5 0 0.0 0 0.0 11 40
230 A 242 ALA A H H X TS+ 0 0 -66.5 -38.2 179.3 48.7 111.6 26.3 226 -1.1 234 -2.0 0 0.0 0 0.0 8 34
231 A 243 ARG R H H X TS+ 0 0 -61.2 -53.3 179.6 46.5 114.0 15.6 227 -2.4 235 -2.6 0 0.0 0 0.0 9 50
232 A 244 GLY G H H X TS+ 0 0 -54.5 -48.6 -179.7 47.8 113.9 30.3 228 -2.4 236 -2.5 0 0.0 0 0.0 12 57
233 A 245 GLU E H H X TS+ 0 0 -67.1 -40.3 178.5 48.4 112.4 27.6 229 -2.5 237 -1.8 0 0.0 0 0.0 8 44
234 A 246 TYR Y H H X TS+ 0 0 -63.0 -47.9 177.0 48.9 113.4 23.9 230 -2.0 238 -2.1 0 0.0 0 0.0 9 44
235 A 247 VAL V H H X TS+ 0 0 -56.8 -55.5 -177.8 44.2 113.9 22.6 231 -2.6 239 -2.1 0 0.0 0 0.0 10 55
236 A 248 LEU L H H X TS+ 0 0 -63.6 -39.9 179.3 46.8 115.3 33.7 232 -2.5 240 -0.7 0 0.0 0 0.0 11 45
237 A 249 GLU E H H < TS+ 0 0 -69.8 -45.8 179.6 48.8 113.4 24.5 233 -1.8 0 0.0 0 0.0 0 0.0 8 35
238 A 250 THR T H H < TS+ 0 0 -60.3 -45.9 179.4 51.8 109.4 29.9 234 -2.1 0 0.0 0 0.0 0 0.0 10 36
239 A 251 PHE F H H < > TS+ 0 0 -66.4 -22.8 175.8 166.9 87.0 48.2 235 -2.1 242 -2.7 0 0.0 0 0.0 11 42
240 A 252 GLY G G h < > T + 0 0 46.3 -110.2 179.4 17.3 67.1 100.2 236 -0.7 243 -2.1 0 0.0 0 0.0 7 29
241 A 253 GLU E G G 3 TS+ 0 0 -60.1 -27.1 179.9 56.8 130.3 36.0 0 0.0 0 0.0 0 0.0 0 0.0 5 29
242 A 254 ASN N G G X TS+ 0 0 -90.7 19.7 -179.6 114.2 70.1 79.5 239 -2.7 245 -1.7 0 0.0 0 0.0 9 46
243 A 255 ALA A G G X TS+ 0 0 -60.8 -38.3 178.5 54.7 73.9 32.6 240 -2.1 246 -1.6 0 0.0 0 0.0 10 43
244 A 256 SER S G G 3 TS+ 0 0 -73.8 -5.0 178.6 65.0 97.9 54.5 0 0.0 0 0.0 0 0.0 0 0.0 8 48
245 A 257 HIS H G e < TS+ 0 0 -92.7 3.4 -178.7 94.8 87.9 67.0 242 -1.7 216 -2.0 0 0.0 0 0.0 11 59
246 A 258 VAL V E E Bh < T - 216 0 -104.8 128.0 175.0 -166.7 54.4 146.9 243 -1.6 0 0.0 0 0.0 0 0.0 14 66
247 A 259 ALA A E E Bh - 217 0 -102.8 148.6 -179.7 -131.8 20.7 145.9 216 -2.9 218 -2.6 0 0.0 249 -0.6 13 80
248 A 260 LEU L E E Bhi - 218 272 -108.5 119.4 -176.4 -152.5 18.7 156.2 271 -2.8 273 -3.0 0 0.0 250 -0.5 14 75
249 A 261 LEU L E E Bhi + 219 273 -99.9 125.5 178.6 176.1 16.9 151.1 218 -2.7 220 -3.1 247 -0.6 221 -0.5 14 80
250 A 262 VAL V E E B i - 0 274 -129.5 125.2 175.9 -140.3 29.3 177.0 273 -2.7 275 -1.4 248 -0.5 252 -1.4 15 66
251 A 263 ASP D E E >B i T - 0 275 -84.7 96.4 -176.2 -178.6 24.9 136.0 0 0.0 255 -1.9 0 0.0 0 0.0 15 58
252 A 264 GLY G T e 4 TS+ 0 0 -70.6 -13.8 -179.6 59.9 73.3 56.0 250 -1.4 0 0.0 275 -0.9 0 0.0 12 55
253 A 265 TYR Y T T 4 TS+ 0 0 -82.8 -55.2 -179.9 32.6 113.3 16.2 275 -0.6 0 0.0 0 0.0 0 0.0 11 49
254 A 266 VAL V T T 4 TS+ 0 0 -74.3 -30.9 -177.2 32.4 132.6 45.2 0 0.0 0 0.0 0 0.0 0 0.0 8 33
255 A 267 ALA A S t < TS- 0 0 -100.0 -13.7 178.9 -144.6 108.2 62.1 251 -1.9 0 0.0 0 0.0 0 0.0 12 37
256 A 268 GLY G h > > T - 0 0 75.7 175.9 -179.0 -43.9 35.1 80.6 0 0.0 259 -1.7 0 0.0 260 -1.5 9 44
257 A 269 ALA A H H > 3 TS+ 0 0 -48.3 -37.2 -177.6 61.1 127.6 35.5 0 0.0 261 -2.6 0 0.0 0 0.0 11 51
258 A 270 ALA A H H > 3 TS+ 0 0 -67.1 -27.2 179.2 51.4 103.1 34.4 0 0.0 262 -1.7 0 0.0 0 0.0 8 45
259 A 271 ALA A H H > < TS+ 0 0 -69.9 -49.7 177.0 48.3 111.5 15.2 256 -1.7 263 -2.0 0 0.0 0 0.0 16 47
260 A 272 ILE I H H X TS+ 0 0 -54.6 -58.1 179.3 45.3 113.7 19.3 256 -1.5 264 -3.0 0 0.0 0 0.0 15 63
261 A 273 THR T H H X TS+ 0 0 -60.4 -33.6 179.9 59.9 107.3 34.1 257 -2.6 265 -2.1 0 0.0 0 0.0 10 61
262 A 274 THR T H H X TS+ 0 0 -59.8 -51.8 -179.0 36.5 112.6 19.9 258 -1.7 266 -1.9 0 0.0 0 0.0 11 52
263 A 275 ALA A H H X TS+ 0 0 -62.4 -50.6 -179.6 56.3 115.9 18.0 259 -2.0 267 -2.9 0 0.0 0 0.0 15 58
264 A 276 ARG R H H < TS+ 0 0 -47.6 -48.9 -178.5 34.4 115.6 27.9 260 -3.0 0 0.0 0 0.0 0 0.0 12 57
265 A 277 ARG R H H < TS+ 0 0 -83.6 -27.0 -178.8 45.8 121.9 33.0 261 -2.1 0 0.0 0 0.0 0 0.0 7 43
266 A 278 ARG R H H < TS+ 0 0 -88.3 -27.9 -178.3 26.8 125.4 37.7 262 -1.9 0 0.0 0 0.0 0 0.0 7 43
267 A 279 PHE F h < > T + 0 0 -130.2 70.6 -176.4 153.4 67.9 131.6 263 -2.9 270 -1.1 0 0.0 0 0.0 8 53
268 A 280 PRO P T T 3 T + 0 0 -79.6 -8.5 179.8 61.2 69.9 52.9 0 0.0 0 0.0 0 0.0 0 0.0 10 46
269 A 281 ASP D T T 3 TS+ 0 0 -94.9 1.3 -178.7 71.2 94.9 69.0 0 0.0 0 0.0 0 0.0 0 0.0 6 45
270 A 282 ASN N S t < TS- 0 0 -119.2 142.1 177.4 -99.8 94.8 160.0 267 -1.1 0 0.0 0 0.0 0 0.0 11 59
271 A 283 PHE F e - 0 0 -59.3 131.4 176.8 -141.1 33.2 109.3 0 0.0 248 -2.8 0 0.0 273 -0.8 17 68
272 A 284 LEU L E E Bi - 248 0 -101.6 106.8 -178.7 -154.6 12.6 146.0 0 0.0 306 -2.2 0 0.0 307 -1.5 15 73
273 A 285 HIS H E E Bij - 249 307 -90.1 107.7 -179.9 -156.0 3.3 140.4 248 -3.0 250 -2.7 271 -0.8 275 -0.9 13 82
274 A 286 TYR Y E E Bij - 250 308 -92.5 103.7 177.4 -167.3 9.3 141.7 307 -2.5 309 -1.3 0 0.0 0 0.0 15 76
275 A 287 HIS H E E Bi - 251 0 -89.7 136.8 -179.4 -147.9 12.1 134.4 250 -1.4 252 -0.9 273 -0.9 253 -0.6 12 65
276 A 288 ARG R t > T + 0 0 -92.7 9.2 -176.9 174.3 24.7 70.2 0 0.0 279 -1.7 0 0.0 0 0.0 10 56
277 A 289 ALA A T T 3 T - 0 0 -28.0 124.7 177.1 -10.2 68.3 70.7 0 0.0 0 0.0 0 0.0 0 0.0 9 43
278 A 290 GLY G T T > TS+ 0 0 57.6 17.6 178.1 129.4 82.6 54.8 0 0.0 281 -1.3 0 0.0 0 0.0 7 30
279 A 291 HIS H T h > < T + 0 0 -76.6 11.4 -177.9 97.8 53.1 73.7 276 -1.7 283 -2.5 0 0.0 0 0.0 10 38
280 A 292 GLY G H H > 3 T + 0 0 -67.0 -48.0 179.7 68.4 62.8 24.7 0 0.0 284 -1.8 0 0.0 0 0.0 7 30
281 A 293 ALA A H H 4 < TS+ 0 0 -48.6 -30.1 -178.8 20.0 118.7 41.5 278 -1.3 0 0.0 0 0.0 0 0.0 7 22
282 A 294 VAL V H H 4 TS+ 0 0 -108.0 -52.0 -177.8 46.6 123.3 30.4 0 0.0 0 0.0 0 0.0 0 0.0 10 35
283 A 295 THR T H H < TS+ 0 0 -65.3 -25.0 178.9 112.3 83.3 44.1 279 -2.5 0 0.0 0 0.0 0 0.0 12 45
284 A 296 SER S S h < > TS- 0 0 -50.2 134.7 -177.9 -131.2 72.3 103.7 280 -1.8 287 -1.8 0 0.0 0 0.0 10 31
285 A 297 PRO P T T 3 TS+ 0 0 -69.8 -11.3 177.4 67.0 105.1 54.2 0 0.0 0 0.0 0 0.0 0 0.0 6 28
286 A 298 GLN Q T T 3 TS+ 0 0 -79.3 -13.9 -179.8 87.7 91.5 49.7 0 0.0 0 0.0 0 0.0 0 0.0 4 20
287 A 299 SER S t < T - 0 0 -90.7 132.3 -179.7 -172.6 57.3 135.2 284 -1.8 0 0.0 0 0.0 0 0.0 9 27
288 A 300 LYS K + 0 0 -102.2 2.7 -177.9 66.0 66.2 73.2 0 0.0 0 0.0 0 0.0 0 0.0 9 38
289 A 301 ARG R S S S+ 0 0 -128.1 160.1 178.5 24.4 87.0 150.8 0 0.0 0 0.0 0 0.0 0 0.0 10 45
290 A 302 GLY G E E Ad S- 110 0 93.7 -129.4 -179.1 -61.6 99.0 145.3 109 -0.9 111 -2.0 0 0.0 0 0.0 12 48
291 A 303 TYR Y E E Ad - 111 0 -154.3 165.9 179.9 -93.4 48.1 161.0 0 0.0 0 0.0 0 0.0 0 0.0 11 54
292 A 304 THR T h > T - 0 0 -79.1 170.6 179.3 -106.8 36.0 99.4 111 -2.0 296 -2.3 0 0.0 0 0.0 13 50
293 A 305 ALA A H H > TS+ 0 0 -65.2 -38.2 177.7 59.3 121.7 25.1 0 0.0 297 -2.7 0 0.0 0 0.0 8 55
294 A 306 PHE F H H > TS+ 0 0 -52.0 -56.1 -178.5 44.5 107.4 16.2 0 0.0 298 -2.8 0 0.0 0 0.0 10 56
295 A 307 VAL V H H > TS+ 0 0 -58.5 -43.3 -179.9 53.5 111.8 26.3 0 0.0 299 -2.3 0 0.0 0 0.0 12 66
296 A 308 HIS H H H X TS+ 0 0 -56.0 -48.4 -179.2 43.1 112.2 20.4 292 -2.3 300 -1.8 0 0.0 0 0.0 10 66
297 A 309 CYS C H H X TS+ 0 0 -68.0 -44.7 177.2 54.1 111.2 21.3 293 -2.7 301 -1.5 0 0.0 0 0.0 12 71
298 A 310 LYS K H H X TS+ 0 0 -57.0 -42.4 179.0 49.8 109.3 21.1 294 -2.8 302 -1.3 0 0.0 0 0.0 11 73
299 A 311 MET M H H X TS+ 0 0 -60.5 -40.8 -180.0 61.9 103.2 27.7 295 -2.3 303 -2.2 0 0.0 0 0.0 9 75
300 A 312 ALA A H H X >TS+ 0 0 -53.8 -37.4 178.7 53.3 99.6 31.2 296 -1.8 305 -2.6 0 0.0 304 -1.5 12 74
301 A 313 ARG R H H < 5TS+ 0 0 -62.6 -51.6 177.8 47.0 109.6 16.7 297 -1.5 0 0.0 0 0.0 0 0.0 14 70
302 A 314 LEU L H H < 5TS+ 0 0 -59.3 -37.0 179.0 56.6 109.6 29.1 298 -1.3 126 -2.3 0 0.0 0 0.0 12 66
303 A 315 GLN Q H H < 5TS- 0 0 -65.0 -30.5 178.5 -109.1 120.6 37.2 299 -2.2 0 0.0 0 0.0 0 0.0 14 64
304 A 316 GLY G T h < 5T + 0 0 112.0 16.2 178.3 163.3 56.0 44.9 300 -1.5 128 -0.5 0 0.0 0 0.0 15 65
305 A 317 ALA A t > T - 0 0 100.9 117.3 177.6 -140.3 999.9 47.4 0 0.0 317 -1.4 0 0.0 318 -1.3 5 34
315 A 336 ASP D H H > 3 TS+ 0 0 -61.7 -25.9 179.7 67.0 109.8 45.6 0 0.0 319 -3.9 0 0.0 0 0.0 10 45
316 A 337 ARG R H H > 3 TS+ 0 0 -63.5 -35.8 178.6 48.8 100.6 30.9 0 0.0 320 -2.2 0 0.0 0 0.0 7 42
317 A 338 ALA A H H > < TS+ 0 0 -69.4 -36.8 176.2 48.5 111.3 35.9 314 -1.4 321 -2.0 0 0.0 0 0.0 10 43
318 A 339 ILE I H H X TS+ 0 0 -65.9 -52.2 -179.3 51.8 110.0 15.8 314 -1.3 322 -2.8 0 0.0 0 0.0 13 55
319 A 340 ALA A H H X TS+ 0 0 -50.0 -46.9 179.2 45.6 112.4 23.1 315 -3.9 323 -1.9 0 0.0 0 0.0 11 57
320 A 341 TYR Y H H X TS+ 0 0 -62.8 -43.4 178.2 51.4 111.2 24.4 316 -2.2 324 -3.0 0 0.0 0 0.0 10 52
321 A 342 MET M H H < TS+ 0 0 -65.9 -31.6 177.1 46.5 114.2 27.6 317 -2.0 0 0.0 0 0.0 0 0.0 13 60
322 A 343 LEU L H H < TS+ 0 0 -80.1 -30.3 -178.5 27.5 124.6 35.7 318 -2.8 342 -2.7 0 0.0 0 0.0 13 66
323 A 344 THR T H H < TS+ 0 0 -104.8 -29.2 -179.1 79.1 101.8 34.7 319 -1.9 0 0.0 0 0.0 0 0.0 11 60
324 A 345 GLN Q h < T - 0 0 -82.4 161.3 179.0 -133.6 68.7 111.8 320 -3.0 0 0.0 0 0.0 0 0.0 9 43
325 A 346 ASP D S e S+ 0 0 -83.2 -13.8 -177.3 29.9 102.2 56.4 0 0.0 336 -2.3 0 0.0 0 0.0 10 34
326 A 347 GLU E E E CL S+ 335 0 -150.7 117.9 -177.1 166.3 78.8 161.9 0 0.0 0 0.0 0 0.0 0 0.0 9 32
327 A 348 ALA A E E CL - 334 0 -141.1 154.9 -179.5 -128.5 31.0 167.7 334 -2.4 334 -3.7 0 0.0 0 0.0 10 40
328 A 349 GLN Q E E CL - 333 0 -102.8 124.9 179.2 -166.3 23.9 148.8 0 0.0 0 0.0 0 0.0 0 0.0 11 34
329 A 350 GLY G e - 0 0 -105.5 179.4 179.5 -83.7 47.4 124.6 332 -2.2 0 0.0 0 0.0 0 0.0 11 42
330 A 351 PRO P S S S+ 0 0 -51.3 -31.5 -179.6 1.0 125.4 44.4 0 0.0 0 0.0 0 0.0 0 0.0 7 40
331 A 352 PHE F S S S+ 0 0 -132.4 -29.1 -178.6 51.1 126.4 54.9 0 0.0 0 0.0 0 0.0 0 0.0 9 46
332 A 353 TYR Y e - 0 0 -125.6 146.1 176.3 -140.2 61.4 165.4 0 0.0 329 -2.2 0 0.0 0 0.0 9 48
333 A 354 ARG R E E CL - 328 0 -91.7 131.4 179.2 -159.1 30.8 140.1 0 0.0 0 0.0 0 0.0 0 0.0 9 41
334 A 355 GLN Q E E CL - 327 0 -123.7 130.1 172.6 -159.2 15.7 169.1 327 -3.7 327 -2.4 0 0.0 0 0.0 11 52
335 A 356 SER S E E CL - 326 0 -93.5 148.1 -176.2 -161.5 4.6 137.5 0 0.0 0 0.0 0 0.0 0 0.0 7 39
336 A 357 TRP W e > T - 0 0 -113.8 -1.9 -178.4 -139.4 22.1 64.3 325 -2.3 339 -1.6 0 0.0 0 0.0 10 43
337 A 358 GLY G T T 3 TS- 0 0 41.2 42.8 177.9 -42.8 75.1 35.9 0 0.0 0 0.0 0 0.0 0 0.0 6 32
338 A 359 GLY G T T 3 TS+ 0 0 88.8 9.7 179.9 155.2 90.2 49.6 0 0.0 0 0.0 0 0.0 0 0.0 5 32
339 A 360 MET M t < T - 0 0 -70.9 137.4 179.2 -100.8 53.3 128.1 336 -1.6 0 0.0 0 0.0 0 0.0 8 42
340 A 361 LYS K - 0 0 -56.3 150.8 177.5 -103.9 40.3 91.9 127 -0.5 0 0.0 0 0.0 0 0.0 10 51
341 A 362 ALA A - 0 0 -69.2 159.0 174.7 -135.2 22.2 112.0 0 0.0 0 0.0 0 0.0 0 0.0 12 60
342 A 363 CYS C - 0 0 -113.7 119.0 -177.8 -122.9 29.2 168.6 322 -2.7 0 0.0 0 0.0 0 0.0 15 65
343 A 364 THR T E E Bk - 307 0 -73.8 128.2 174.5 -125.3 14.6 118.7 306 -3.2 308 -1.6 0 0.0 0 0.0 15 72
344 A 365 PRO P E E Bk - 308 0 -65.7 138.5 174.7 -157.7 19.4 110.6 0 0.0 368 -1.7 0 0.0 346 -0.5 13 67
345 A 366 ILE I E E Bkm - 309 368 -115.3 117.8 -179.0 -162.6 14.0 171.0 308 -1.6 310 -3.5 0 0.0 311 -1.1 13 70
346 A 367 ILE I E E B m - 0 369 -109.0 151.8 -177.6 -169.7 6.6 142.6 368 -2.9 370 -3.4 344 -0.5 0 0.0 13 58
347 A 368 SER S E E B m + 0 370 -133.4 177.0 -179.7 55.5 43.4 137.3 0 0.0 349 -0.5 0 0.0 0 0.0 12 51
348 A 369 GLY G E E B m S- 0 371 102.3 -129.1 -177.6 -90.0 81.0 151.5 370 -0.9 372 -3.5 0 0.0 0 0.0 10 38
349 A 370 GLY G - 0 0 173.9 144.7 176.8 -175.5 29.4 145.7 347 -0.5 0 0.0 0 0.0 0 0.0 9 47
350 A 371 MET M - 0 0 -142.8 135.1 179.0 -114.4 39.8 161.1 0 0.0 0 0.0 0 0.0 0 0.0 8 53
351 A 372 ASN N t > > T - 0 0 -66.4 175.7 -178.6 -92.8 40.2 96.6 0 0.0 355 -1.7 0 0.0 354 -0.8 11 61
352 A 373 ALA A T T 4 3 TS+ 0 0 -60.3 -30.3 -178.0 62.2 125.5 34.0 0 0.0 0 0.0 0 0.0 0 0.0 13 71
353 A 374 LEU L T T 4 3 TS+ 0 0 -66.3 -35.1 179.0 35.9 109.4 45.2 0 0.0 0 0.0 0 0.0 0 0.0 12 59
354 A 375 ARG R T h > X TS+ 0 0 -88.4 -31.9 -177.7 85.9 96.5 46.7 351 -0.8 357 -1.5 0 0.0 358 -1.1 8 52
355 A 376 MET M H H X > TS+ 0 0 -37.7 -52.7 -178.8 56.4 84.0 34.7 351 -1.7 359 -1.9 0 0.0 358 -0.8 12 59
356 A 377 PRO P H H > 3 TS+ 0 0 -53.6 -39.7 179.1 56.6 101.6 31.7 0 0.0 360 -2.0 0 0.0 0 0.0 11 48
357 A 378 GLY G H H > < TS+ 0 0 -62.3 -36.7 178.7 51.8 106.0 32.7 354 -1.5 361 -1.6 0 0.0 0 0.0 7 34
358 A 379 PHE F H H X < TS+ 0 0 -67.4 -48.2 179.8 47.9 109.3 23.8 354 -1.1 362 -2.6 355 -0.8 0 0.0 8 44
359 A 380 PHE F H H X TS+ 0 0 -63.1 -34.7 -178.5 55.7 109.2 31.4 355 -1.9 363 -3.0 0 0.0 0 0.0 10 47
360 A 381 GLU E H H < TS+ 0 0 -60.7 -49.6 178.2 43.3 110.3 22.7 356 -2.0 0 0.0 0 0.0 0 0.0 8 32
361 A 382 ASN N H H < TS+ 0 0 -60.4 -53.4 -179.4 42.8 119.8 18.7 357 -1.6 0 0.0 0 0.0 0 0.0 6 25
362 A 383 LEU L H H < TS- 0 0 -66.6 -39.1 -180.0 -136.5 100.8 33.3 358 -2.6 0 0.0 0 0.0 0 0.0 8 40
363 A 384 GLY G S h < TS+ 0 0 95.6 0.1 178.7 42.6 76.4 63.8 359 -3.0 0 0.0 0 0.0 0 0.0 6 31
364 A 385 ASN N - 0 0 -159.0 175.1 179.0 -140.1 66.2 155.7 0 0.0 0 0.0 0 0.0 0 0.0 8 47
365 A 386 ALA A + 0 0 -133.3 25.2 179.3 132.1 56.6 95.6 0 0.0 367 -1.9 0 0.0 0 0.0 10 54
366 A 387 ASN N + 0 0 -81.9 65.4 -178.2 108.5 45.2 117.6 0 0.0 0 0.0 0 0.0 0 0.0 11 61
367 A 388 VAL V e - 0 0 -138.7 160.3 176.5 -120.4 69.8 156.9 365 -1.9 148 -2.1 0 0.0 369 -0.5 12 69
368 A 389 ILE I E E Bem - 148 345 -101.4 122.0 179.2 -150.8 28.4 158.8 344 -1.7 346 -2.9 0 0.0 370 -0.6 13 71
369 A 390 LEU L E E Bem - 149 346 -102.3 124.1 178.2 -177.1 16.4 151.2 148 -3.4 150 -2.4 367 -0.5 371 -0.5 12 69
370 A 391 THR T E E Bem - 150 347 -120.8 78.7 -179.8 -172.8 26.6 140.9 346 -3.4 348 -0.9 368 -0.6 0 0.0 15 63
371 A 392 ALA A E E Bem - 151 348 -74.3 137.2 177.8 -111.1 29.9 117.5 150 -1.7 152 -0.5 369 -0.5 0 0.0 15 53
372 A 393 GLY G e > T - 0 0 -62.7 155.4 179.4 -106.7 43.2 112.6 348 -3.5 375 -1.4 0 0.0 0 0.0 11 41
373 A 394 GLY G T T 3 TS+ 0 0 -62.6 -5.9 -179.5 74.0 116.9 58.0 0 0.0 0 0.0 0 0.0 0 0.0 8 47
374 A 395 GLY G T T > TS+ 0 0 -75.4 -32.4 179.7 59.5 84.6 35.8 0 0.0 377 -2.2 0 0.0 0 0.0 7 40
375 A 396 ALA A T T < TS+ 0 0 -69.4 -14.7 178.4 59.5 102.0 48.5 372 -1.4 0 0.0 0 0.0 0 0.0 11 51
376 A 397 PHE F T T 3 TS+ 0 0 -98.4 13.8 177.7 131.4 76.8 81.4 0 0.0 0 0.0 0 0.0 0 0.0 15 55
377 A 398 GLY G t < T + 0 0 -64.1 138.1 179.2 148.8 25.4 112.4 374 -2.2 0 0.0 0 0.0 0 0.0 11 43
378 A 399 HIS H t > T - 0 0 -168.1 138.8 -179.9 -121.9 56.6 151.4 0 0.0 381 -1.8 0 0.0 0 0.0 11 42
379 A 400 ILE I T T 3 TS+ 0 0 -58.8 -23.6 179.0 49.6 117.0 41.9 0 0.0 0 0.0 0 0.0 0 0.0 8 29
380 A 401 ASP D T T 3 TS- 0 0 -91.1 -5.8 -180.0 -97.0 121.8 58.8 0 0.0 0 0.0 0 0.0 0 0.0 9 31
381 A 402 GLY G h > < T - 0 0 111.8 167.7 -179.2 -64.1 42.8 113.1 378 -1.8 385 -1.4 0 0.0 0 0.0 9 35
382 A 403 PRO P H H > TS+ 0 0 -64.9 -21.7 178.0 60.2 125.5 50.5 0 0.0 386 -2.2 0 0.0 0 0.0 12 49
383 A 404 VAL V H H > TS+ 0 0 -68.2 -48.0 -179.5 41.6 111.7 14.0 0 0.0 387 -2.5 0 0.0 0 0.0 12 50
384 A 405 ALA A H H > TS+ 0 0 -62.6 -33.6 178.6 56.9 112.7 38.6 0 0.0 388 -1.9 0 0.0 0 0.0 12 44
385 A 406 GLY G H H X TS+ 0 0 -64.0 -48.5 178.8 42.4 109.6 26.4 381 -1.4 389 -0.9 0 0.0 0 0.0 17 53
386 A 407 ALA A H H X TS+ 0 0 -68.7 -41.1 178.5 55.0 113.1 28.7 382 -2.2 390 -1.7 0 0.0 0 0.0 12 64
387 A 408 ARG R H H X TS+ 0 0 -59.6 -38.8 -178.8 55.8 103.0 27.2 383 -2.5 391 -2.5 0 0.0 0 0.0 12 58
388 A 409 SER S H H X TS+ 0 0 -63.2 -32.3 -178.6 53.0 104.4 40.2 384 -1.9 392 -2.2 0 0.0 0 0.0 12 62
389 A 410 LEU L H H X TS+ 0 0 -69.7 -44.1 177.8 46.6 110.6 24.8 385 -0.9 393 -1.8 0 0.0 0 0.0 13 71
390 A 411 ARG R H H X TS+ 0 0 -60.4 -43.1 179.8 50.2 113.2 27.2 386 -1.7 394 -2.7 0 0.0 0 0.0 10 66
391 A 412 GLN Q H H X TS+ 0 0 -66.3 -42.3 176.7 51.0 109.1 26.5 387 -2.5 395 -2.8 0 0.0 0 0.0 13 53
392 A 413 ALA A H H X TS+ 0 0 -62.6 -37.2 178.7 48.5 111.4 32.1 388 -2.2 396 -2.0 0 0.0 0 0.0 14 60
393 A 414 TRP W H H X TS+ 0 0 -66.4 -51.1 177.9 50.7 110.7 21.3 389 -1.8 397 -2.8 0 0.0 0 0.0 13 57
394 A 415 GLN Q H H X TS+ 0 0 -53.9 -53.5 178.0 48.7 110.7 20.3 390 -2.7 398 -2.4 0 0.0 0 0.0 8 48
395 A 416 ALA A H H X >TS+ 0 0 -51.4 -52.3 -179.2 45.6 114.6 22.7 391 -2.8 400 -2.1 0 0.0 399 -1.4 12 39
396 A 417 TRP W H H < 5TS+ 0 0 -55.8 -46.2 180.0 49.6 113.4 30.1 392 -2.0 0 0.0 0 0.0 0 0.0 11 39
397 A 418 ARG R H H < 5TS+ 0 0 -61.1 -48.6 -177.3 44.7 113.7 24.9 393 -2.8 0 0.0 0 0.0 0 0.0 8 38
398 A 419 ASP D H H < 5TS- 0 0 -76.4 -19.4 177.7 -123.1 108.2 52.0 394 -2.4 0 0.0 0 0.0 0 0.0 6 26
399 A 420 GLY G T h < 5T + 0 0 81.9 17.2 179.3 149.1 61.9 50.0 395 -1.4 0 0.0 0 0.0 0 0.0 6 24
400 A 421 VAL V t T - 0 0 -63.3 139.7 -178.2 -134.0 27.5 118.9 0 0.0 405 -1.2 0 0.0 0 0.0 8 36
402 A 423 VAL V H H > TS+ 0 0 -64.6 -43.1 179.5 59.1 102.1 32.7 0 0.0 406 -2.7 0 0.0 0 0.0 9 50
403 A 424 LEU L H H > TS+ 0 0 -53.8 -41.7 179.4 46.2 110.3 24.3 0 0.0 407 -1.5 0 0.0 0 0.0 11 47
404 A 425 ASP D H H > TS+ 0 0 -70.2 -34.7 179.3 50.9 110.3 32.2 0 0.0 408 -0.7 0 0.0 0 0.0 8 37
405 A 426 TYR Y H H < > TS+ 0 0 -69.1 -38.9 178.7 58.1 105.1 30.1 401 -1.2 408 -0.6 0 0.0 0 0.0 12 37
406 A 427 ALA A H H < > TS+ 0 0 -56.1 -47.8 -179.7 64.0 95.1 23.9 402 -2.7 409 -2.3 0 0.0 0 0.0 11 48
407 A 428 ARG R H H < 3 TS+ 0 0 -49.9 -35.5 -179.7 35.1 113.0 28.8 403 -1.5 0 0.0 0 0.0 0 0.0 9 31
408 A 429 GLU E T h < < TS+ 0 0 -102.2 6.1 -178.9 64.0 114.5 65.8 404 -0.7 0 0.0 405 -0.6 0 0.0 7 27
409 A 430 HIS H h > < T - 0 0 -139.4 102.2 -176.6 -161.5 64.0 159.3 406 -2.3 413 -2.9 0 0.0 0 0.0 9 37
410 A 431 LYS K H H > TS+ 0 0 -47.1 -54.9 -177.0 48.0 87.4 27.4 0 0.0 414 -3.6 0 0.0 0 0.0 8 42
411 A 432 GLU E H H > TS+ 0 0 -67.2 -40.4 179.5 43.4 115.4 23.6 0 0.0 415 -1.3 0 0.0 0 0.0 13 46
412 A 433 LEU L H H > TS+ 0 0 -65.9 -43.2 178.1 48.9 117.4 16.0 0 0.0 416 -1.2 0 0.0 0 0.0 15 58
413 A 434 ALA A H H X > TS+ 0 0 -52.3 -53.5 178.1 46.8 112.4 24.0 409 -2.9 416 -0.7 0 0.0 417 -0.5 13 54
414 A 435 ARG R H H X 3 TS+ 0 0 -62.4 -26.1 -179.9 64.2 103.8 46.0 410 -3.6 418 -0.9 0 0.0 0 0.0 11 49
415 A 436 ALA A H H X 3 TS+ 0 0 -69.6 -38.9 -180.0 65.1 90.0 27.7 411 -1.3 419 -1.3 0 0.0 0 0.0 15 57
416 A 437 PHE F H H < < TS+ 0 0 -48.7 -40.3 -179.0 41.9 108.2 34.9 412 -1.2 0 0.0 413 -0.7 0 0.0 12 57
417 A 438 GLU E H H < TS+ 0 0 -79.4 -32.4 -179.6 65.3 103.0 47.8 413 -0.5 0 0.0 0 0.0 0 0.0 9 44
418 A 439 SER S H H < TS+ 0 0 -67.3 -28.8 -178.8 20.5 123.4 39.2 414 -0.9 0 0.0 0 0.0 0 0.0 9 43
419 A 440 PHE F S h X TS+ 0 0 -142.5 67.7 179.9 155.9 76.0 126.9 415 -1.3 423 -1.6 0 0.0 0 0.0 8 41
420 A 441 PRO P H H > TS+ 0 0 -66.0 -30.6 179.2 59.6 76.5 39.9 0 0.0 424 -2.6 0 0.0 0 0.0 8 34
421 A 442 GLY G H H > TS+ 0 0 -65.7 -37.7 -179.9 45.4 106.5 33.4 0 0.0 425 -1.6 0 0.0 0 0.0 6 26
422 A 443 ASP D H H > TS+ 0 0 -72.9 -37.3 178.6 52.1 111.6 34.3 0 0.0 426 -2.5 0 0.0 0 0.0 10 32
423 A 444 ALA A H H X TS+ 0 0 -63.7 -57.4 179.6 57.0 104.7 11.8 419 -1.6 427 -3.5 0 0.0 0 0.0 13 39
424 A 445 ASP D H H < TS+ 0 0 -36.7 -71.7 -178.7 39.2 112.8 24.7 420 -2.6 0 0.0 0 0.0 0 0.0 10 27
425 A 446 GLN Q H H < TS+ 0 0 -44.2 -57.7 -177.9 29.9 131.1 25.0 421 -1.6 0 0.0 0 0.0 0 0.0 7 20
426 A 447 ILE I H H < TS+ 0 0 -70.8 -60.5 -178.4 18.6 134.1 18.9 422 -2.5 0 0.0 0 0.0 0 0.0 7 31
427 A 448 TYR Y S h < > TS- 0 0 -120.2 78.4 -179.9 -168.5 71.1 139.0 423 -3.5 430 -1.3 0 0.0 0 0.0 9 38
428 A 449 PRO P T T 3 TS+ 0 0 -75.2 120.8 179.5 34.3 77.1 124.0 0 0.0 0 0.0 0 0.0 0 0.0 8 26
429 A 450 GLY G T h > 3 TS+ 0 0 114.5 8.6 -180.0 124.5 76.3 65.5 0 0.0 433 -2.8 0 0.0 0 0.0 7 27
430 A 451 TRP W H H > < TS+ 0 0 -56.8 -50.9 180.0 47.0 77.0 21.2 427 -1.3 434 -1.0 0 0.0 0 0.0 11 36
431 A 452 ARG R H H > TS+ 0 0 -53.7 -48.0 178.0 51.0 113.0 25.9 0 0.0 435 -5.9 0 0.0 0 0.0 8 32
432 A 453 LYS K H H 4 TS+ 0 0 -49.7 -57.8 -179.0 43.7 113.8 18.8 0 0.0 0 0.0 0 0.0 0 0.0 7 22
433 A 454 ALA A H H < TS+ 0 0 -68.5 -20.1 -178.7 37.8 123.6 54.1 429 -2.8 0 0.0 0 0.0 0 0.0 7 29
434 A 455 LEU L H H < TS- 0 0 -105.6 -44.2 -179.2 -122.4 101.9 34.3 430 -1.0 0 0.0 0 0.0 0 0.0 9 30
435 A 456 GLY G h < T 0 0 133.6 -61.9 179.9 999.9 999.9 124.5 431 -5.9 0 0.0 0 0.0 0 0.0 5 20
436 A 457 VAL V 0 0 -17.7 999.9 999.9 999.9 999.9 54.4 0 0.0 0 0.0 0 0.0 0 0.0 4 25
5rubA.pdb
5RUB LYASE(CARBON-CARBON) RUBISCO (RIBULOSE-1,5-BISPHOSPHATE (RHODOSPIRILLUM $RUBRUM) EXPRESSED IN (ESCHERICHIA
author author
Kabs/Sand TTTSB TT HHHHHHHT EEEEEEEEEE TTS HHHHHHHHHHHTS SS EEEEEETTTTEEEEEEEGGGS B TTT B HHHHHHHHHSGG Kabs/Sand
chirality +++++++++--++++++-++------+----++--+++++++++++++- ++---+++--++-++------+++----+--+---+++++++++-++ chirality
bends SSSS SS SSSSSSS SSS SSSSSSSSSSSSS SS SSS SSSS SSS SSSSSSSSSSSS bends
turns TTTTT TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTTTT TTTTT TTTTT TTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33<>33< >33< >33< >33< >>3<< >>3 3-turns
bridge-2 BBBBBBBB a CCCCC bridge-2
bridge-1 a AAAAAAA CC*CCC AAAAAAA B B bridge-1
sheets AAAAAAAAAA AAAAAA AAAAAAA sheets
4-turns >444< >>>>X<<<< >>>>XXXXX<<<< >444< >444< >>>>XXX<<<< 4-turns
summary tTTTtBtTTthHHHHHHHheEEEEEEEEEEeTTthHHHHHHHHHHHht SS EEEEEETTTeEEEEEEEeGGg BtTTTt BhHHHHHHHHHhGG summary
sequence DQSSRYVNLALKEEDLIAGGEHVLCAYIMKPKAGYGYVATAAHFAAESSTGTRGVDALVYEVDEARELTKIAYPVALFDRNITDGKAMIASFLTLTMGNN sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand GS SSEEEEEEEEEE HHHHTTS S HHHHHHHHT SSS EEEEE SSSS HHHHHHHHHHHTTT SEEE TT S BTTB HHHHHHHHH Kabs/Sand
chirality ++-++-----+------++++++----+--+++++++-+--+-+-+--+----+--++--++++++++++++++-+-----+++-+-++--+++++++++ chirality
bends SS SS S SSSSSSS S SSSSSSSSS SSS SSSS SSSSSSSSSSSSSS S SS S SSS SSSSSSSSS bends
turns TT TTTTTTTT TTTTTTTTTTT TTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns << >33X>3<< >>3<< >33< >>3<< >33< >33< 3-turns
bridge-2 dd fff ggg bridge-2
bridge-1 B*BBBB*BBB eeee fff C C bridge-1
sheets AAAAAAAAAA BBBBB BBB sheets
4-turns >>44<< >>>>XX<<<< >>>>XXXXX<>>>XXXXXX 4-turns
summary Gg SeEEEEEEEEEE hHHHHhTt S hHHHHHHHHht SSS EEEEEeSSSS hHHHHHHHHHHHhTTteEEEetTTtS BTTBhHHHHHHHHH summary
sequence QGMGDVEYAKMHDFYVPEAYRALFDGPSVNISALWKVLGRPEVDGGLVVGTIIKPKLGLRPKPFAEACHAFWLGGDFIKNDEPQGNQPFAPLRDTIALVA sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHSS EEEEE SSHHHHHHHHHHHHHHHGGGGGGEEEEEETTTS HHHHHHHHHH TTS EEEE TTTHHHHSTT SEE HHHHHHHH Kabs/Sand
chirality +++++++++-+-------+++-+-+++++++++++++++++++++---+--+++--+++++++++++++------+-++++++-++-++---++++++++ chirality
bends SSSSSSSSSSSS SSSSSSSSSSSSSSSSS SSSSS SSSS SSSSSSSSSS SS S SSSSSS SS SSSSSSSS bends
turns TTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT TTTTTTTTT turns
5-turns > 5-turns
3-turns >33< >>3XX3<< >33< >33< >3><3< >33< 3-turns
bridge-2 hhhh iiii jj bridge-2
bridge-1 ggg hhhh iiii dd bridge-1
sheets BBBBB BBBBBB BBBB AA sheets
4-turns XXXXXXX<<<< >>>>XXXXXXXXX<<<< >444<>>>>XXXX<<<< >>44<< >>>>XXXXX 4-turns
summary HHHHHHHHHHhS EEEEEe ShHHHHHHHHHHHHHHHhGGGGeEEEEEEeTTthHHHHHHHHHHhTTteEEEEtTThHHHHhTTt SEEhHHHHHHHH summary
sequence DAMRRAQDETGEAKLFSANITADDPFEIIARGEYVLETFGENASHVALLVDGYVAGAAAITTARRRFPDNFLHYHRAGHGAVTSPQSKRGYTAFVHCKMA sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHT SEEE HHHHHHHHH SEEE SS EEE TT EEEEEE TTTHHHHHHHHS EEEE TTTT TT HHHHHHHHHHHHHHHHHT Kabs/Sand
chirality ++-+----+- -+++++++++-++---++------+--------+----++++++++++-+-++------+++++-+--++++++++++++++++-+- chirality
bends SSS S SSSSSSSSS SS SS SS S SSSSSSSSSSSS SSSS SS SSSSSSSSSSSSSSSSS bends
turns TTTTT TTTTTTTTTTT TTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5555< >5555< 5-turns
3-turns >33< >33< >33X>3<< >3><3<>33< 3-turns
bridge-2 kkk mmmm mmmm bridge-2
bridge-1 jj LLL LLL kkk eeee bridge-1
sheets BBB CCC CCC BBBBBB BBBB sheets
4-turns <<<< >>>>XXX<<<< >44>X>>XX<<<< >>>>XXXXXXXXXXX<<<< 4-turns
summary HHHhteEEEe hHHHHHHHHHheEEEeSSeEEEeTTt EEEEEE tTThHHHHHHHHh eEEEEeTTTTttTThHHHHHHHHHHHHHHHHHht summary
sequence RLQGASGIHTGTSSDRAIAYMLTQDEAQGPFYRQSWGGMKACTPIISGGMNALRMPGFFENLGNANVILTAGGGAFGHIDGPVAGARSLRQAWQAWRDGV sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand HHHHHHT HHHHHHHHHSHHHHHHHSTTHHHHH Kabs/Sand
chirality -+++++++-+++++++++++++++++-++++++- chirality
bends SSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>3<< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>><<<<>>>>XXX<<>>X<<<< >>>4<<< 4-turns
summary hHHHHHHhhHHHHHHHHHhHHHHHHHhThHHHHHh summary
sequence PVLDYAREHKELARAFESFPGDADQIYPGWRKALGV sequence
410 420 430
Messages
chain break between 52(A 53 ) and 53(A 65 )
chain break between 312(A 324 ) and 313(A 334 )