Secondary structure calculation program - copyright by David Keith Smith, 1989
1jnk-.pdb
1JNK TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 346
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 45 ASP D 0 0 999.9 13.5 179.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 10
2 46 ASN N - 0 0 -67.9 138.7 179.4 -139.7 999.9 114.6 0 0.0 0 0.0 0 0.0 0 0.0 4 15
3 47 GLN Q S e S+ 0 0 -72.9 -15.6 -177.4 56.2 82.2 48.1 0 0.0 18 -2.3 0 0.0 0 0.0 6 23
4 48 PHE F E E AA - 17 0 -116.0 169.5 177.1 -169.9 60.1 129.4 0 0.0 0 0.0 0 0.0 0 0.0 9 30
5 49 TYR Y E E AA - 16 0 -151.0 162.8 -177.8 -127.1 17.2 162.7 16 -1.9 16 -1.3 0 0.0 0 0.0 9 28
6 50 SER S E E AA + 15 0 -128.7 125.2 178.4 172.4 22.5 163.3 0 0.0 0 0.0 0 0.0 0 0.0 8 32
7 51 VAL V E E AA - 14 0 -123.1 147.4 179.6 -118.7 34.3 153.2 14 -2.4 14 -2.9 0 0.0 9 -0.8 7 30
8 52 GLU E E E AA - 13 0 -91.0 112.5 179.4 -175.7 32.0 144.3 0 0.0 10 -0.6 0 0.0 0 0.0 8 24
9 53 VAL V E E AA > T - 12 0 -111.6 117.5 179.2 -42.8 61.5 160.5 12 -1.7 11 -2.2 7 -0.8 12 -1.9 10 31
10 54 GLY G T T 3 TS- 0 0 70.1 -77.9 -180.0 -31.3 123.7 113.3 8 -0.6 0 0.0 0 0.0 0 0.0 5 24
11 55 ASP D T T 3 TS+ 0 0 -147.6 -17.0 -179.3 74.3 126.1 72.4 9 -2.2 0 0.0 0 0.0 0 0.0 5 22
12 56 SER S E E AA < TS- 9 0 -100.4 172.6 179.0 -116.7 77.7 118.7 9 -1.9 9 -1.7 0 0.0 14 -0.5 6 33
13 57 THR T E E AA - 8 0 -115.9 118.2 178.9 -154.9 21.7 163.6 0 0.0 15 -0.6 0 0.0 0 0.0 8 35
14 58 PHE F E E AA - 7 0 -94.2 121.2 177.6 -169.5 6.4 147.4 7 -2.9 7 -2.4 12 -0.5 16 -0.7 9 48
15 59 THR T E E AA + 6 0 -112.4 96.8 -179.0 162.9 24.9 153.9 13 -0.6 0 0.0 0 0.0 0 0.0 9 48
16 60 VAL V E E AA - 5 0 -114.4 165.8 178.6 -84.2 43.5 135.2 5 -1.3 5 -1.9 14 -0.7 0 0.0 10 52
17 61 LEU L E E AA > T - 4 0 -62.7 150.7 -179.2 -111.9 44.3 107.9 0 0.0 20 -1.7 0 0.0 0 0.0 9 43
18 62 LYS K T e 3 TS+ 0 0 -58.3 -25.7 179.7 68.9 113.0 45.1 3 -2.3 0 0.0 0 0.0 0 0.0 8 33
19 63 ARG R T e 3 TS+ 0 0 -66.8 -24.3 179.9 82.9 83.9 40.8 0 0.0 40 -2.4 0 0.0 21 -0.9 8 37
20 64 TYR Y E E BB < T - 39 0 -89.2 104.6 -177.9 -176.4 68.1 137.2 17 -1.7 0 0.0 0 0.0 0 0.0 11 48
21 65 GLN Q E E BB + 38 0 -105.4 151.7 178.5 9.0 45.2 137.1 38 -3.0 38 -3.0 19 -0.9 0 0.0 9 34
22 66 ASN N E E B* - 0 0 48.6 93.3 -179.5 -148.3 68.8 16.1 0 0.0 0 0.0 0 0.0 0 0.0 7 35
23 67 LEU L E E B* - 0 0 -94.2 128.1 178.6 -175.9 15.8 138.9 0 0.0 0 0.0 0 0.0 0 0.0 10 44
24 68 LYS K E E BB - 36 0 -123.1 122.7 179.8 -121.5 30.0 171.3 36 -2.3 36 -3.1 0 0.0 0 0.0 8 37
25 69 PRO P E E BB + 35 0 -65.3 116.9 -179.2 158.7 43.5 121.2 0 0.0 0 0.0 0 0.0 0 0.0 10 37
26 70 ILE I E E B* + 0 0 -110.1 -31.3 -179.4 10.5 57.6 45.8 34 -2.1 0 0.0 0 0.0 0 0.0 7 40
27 71 GLY G E E BB - 34 0 -146.8 168.9 179.9 -164.5 50.8 157.5 34 -2.4 34 -2.1 0 0.0 0 0.0 7 44
28 72 SER S E E BB + 33 0 -154.7 143.5 -179.9 161.6 16.3 166.8 0 0.0 0 0.0 0 0.0 0 0.0 7 40
29 73 GLY G e - 0 0 -137.8 -146.6 179.9 -81.0 52.1 113.3 32 -1.6 0 0.0 0 0.0 0 0.0 7 40
30 74 ALA A S S S+ 0 0 -99.1 -35.5 -179.6 36.1 124.5 41.8 0 0.0 0 0.0 0 0.0 0 0.0 5 37
31 75 GLN Q S e S- 0 0 -96.2 -9.4 -179.8 -17.2 126.1 55.2 0 0.0 52 -0.5 0 0.0 0 0.0 8 48
32 76 GLY G E E B C - 0 51 175.7 163.7 179.3 -97.4 57.7 164.3 0 0.0 29 -1.6 0 0.0 0 0.0 10 52
33 77 ILE I E E BBC - 28 50 -97.8 133.4 -178.5 -146.0 34.4 143.7 50 -0.9 50 -2.6 0 0.0 0 0.0 11 45
34 78 VAL V E E BBC - 27 49 -107.4 126.7 179.5 -176.3 16.3 153.6 27 -2.1 27 -2.4 0 0.0 26 -2.1 13 54
35 79 CYS C E E BBC - 25 48 -117.9 147.9 176.7 -133.9 21.0 151.3 48 -3.1 48 -3.3 0 0.0 0 0.0 12 48
36 80 ALA A E E BBC + 24 47 -95.9 145.6 179.8 168.7 36.7 143.6 24 -3.1 24 -2.3 0 0.0 0 0.0 14 47
37 81 ALA A E E B*C - 0 46 -154.8 166.2 178.1 -109.2 36.4 168.4 46 -3.1 46 -3.3 0 0.0 0 0.0 13 46
38 82 TYR Y E E BBC - 21 45 -98.6 135.6 179.3 -149.2 24.0 144.9 21 -3.0 21 -3.0 0 0.0 40 -0.7 13 34
39 83 ASP D E E >BBC >T - 20 44 -110.0 102.0 179.7 -168.9 7.9 150.5 44 -2.9 43 -2.1 0 0.0 44 -1.2 12 35
40 84 ALA A T e 4 5TS+ 0 0 -54.0 -47.0 -179.2 51.7 84.5 26.8 19 -2.4 0 0.0 38 -0.7 0 0.0 9 26
41 85 VAL V T T 4 5TS+ 0 0 -59.3 -51.3 -178.3 32.8 119.6 20.4 0 0.0 0 0.0 0 0.0 0 0.0 5 21
42 86 LEU L T T 4 5TS- 0 0 -82.0 -14.7 -180.0 -131.9 103.4 49.1 0 0.0 0 0.0 0 0.0 0 0.0 5 22
43 87 ASP D T T < 5TS+ 0 0 60.0 60.0 179.1 87.0 70.9 11.1 39 -2.1 0 0.0 0 0.0 0 0.0 7 20
44 88 ARG R E E BC TS- 0 0 49.6 61.8 -179.5 -177.6 73.7 23.1 96 -0.7 56 -1.7 51 -0.7 0 0.0 8 49
54 98 PRO P G G > TS+ 0 0 -57.9 -32.7 -178.8 59.2 76.0 39.1 0 0.0 57 -0.7 0 0.0 0 0.0 14 53
55 99 PHE F G G 3 TS+ 0 0 -80.9 1.9 -179.4 103.0 71.9 65.3 0 0.0 0 0.0 0 0.0 0 0.0 12 46
56 100 GLN Q G G < TS+ 0 0 -59.0 -25.5 176.8 13.5 93.2 42.1 53 -1.7 0 0.0 0 0.0 0 0.0 8 39
57 101 ASN N S h > < TS- 0 0 -150.7 151.9 -178.0 -114.9 76.7 173.2 54 -0.7 61 -2.4 0 0.0 0 0.0 8 37
58 102 GLN Q H H > TS+ 0 0 -56.8 -28.8 -180.0 51.9 112.5 42.2 0 0.0 62 -2.0 0 0.0 0 0.0 11 37
59 103 THR T H H > TS+ 0 0 -71.9 -58.7 178.9 38.6 116.0 9.5 0 0.0 63 -2.6 0 0.0 0 0.0 9 41
60 104 HIS H H H > TS+ 0 0 -59.5 -28.5 -179.5 52.3 118.6 36.7 0 0.0 64 -2.4 0 0.0 0 0.0 11 50
61 105 ALA A H H X TS+ 0 0 -75.8 -43.3 179.6 45.8 109.6 26.3 57 -2.4 65 -2.3 0 0.0 0 0.0 15 51
62 106 LYS K H H X TS+ 0 0 -65.9 -40.4 179.6 50.0 115.4 25.1 58 -2.0 66 -2.1 0 0.0 0 0.0 9 47
63 107 ARG R H H X TS+ 0 0 -61.2 -57.2 -179.4 43.9 112.7 17.3 59 -2.6 67 -2.5 0 0.0 0 0.0 8 53
64 108 ALA A H H X TS+ 0 0 -56.3 -49.3 -178.5 48.6 115.0 22.9 60 -2.4 68 -2.1 0 0.0 0 0.0 11 61
65 109 TYR Y H H X TS+ 0 0 -61.4 -41.6 -179.6 47.0 113.6 28.8 61 -2.3 69 -1.5 0 0.0 0 0.0 12 59
66 110 ARG R H H X TS+ 0 0 -69.4 -44.4 178.7 47.2 112.3 27.6 62 -2.1 70 -2.0 0 0.0 0 0.0 10 53
67 111 GLU E H H X TS+ 0 0 -62.7 -41.0 -178.9 53.7 111.3 25.0 63 -2.5 71 -3.3 0 0.0 0 0.0 10 61
68 112 LEU L H H < TS+ 0 0 -61.3 -42.2 -179.6 44.6 111.3 29.0 64 -2.1 0 0.0 0 0.0 0 0.0 10 57
69 113 VAL V H H X TS+ 0 0 -73.1 -36.5 -178.7 41.3 119.4 30.3 65 -1.5 73 -1.4 0 0.0 0 0.0 9 50
70 114 LEU L H H X TS+ 0 0 -82.1 -38.0 180.0 61.3 104.4 28.0 66 -2.0 74 -2.5 0 0.0 0 0.0 9 52
71 115 MET M H H < TS+ 0 0 -62.6 -14.6 179.7 45.1 111.9 45.1 67 -3.3 82 -1.0 0 0.0 0 0.0 11 49
72 116 LYS K H H 4 TS+ 0 0 -94.4 -42.1 -179.4 34.6 120.5 33.5 0 0.0 0 0.0 0 0.0 0 0.0 9 39
73 117 CYS C H H < TS+ 0 0 -81.2 -49.0 -179.7 80.1 100.0 19.6 69 -1.4 0 0.0 0 0.0 0 0.0 7 40
74 118 VAL V h < T - 0 0 -63.1 133.1 -178.2 -173.2 58.9 112.6 70 -2.5 0 0.0 0 0.0 0 0.0 11 44
75 119 ASN N + 0 0 -134.2 87.4 -179.5 128.1 26.1 139.5 0 0.0 0 0.0 0 0.0 0 0.0 9 42
76 120 HIS H t > T - 0 0 -143.1 146.5 -178.7 -126.7 58.9 177.9 0 0.0 79 -1.8 0 0.0 0 0.0 10 46
77 121 LYS K T T 3 TS+ 0 0 -66.0 -15.3 179.4 50.7 110.8 50.1 0 0.0 0 0.0 0 0.0 0 0.0 8 49
78 122 ASN N T T 3 TS+ 0 0 -106.6 10.6 177.7 72.5 99.2 73.9 0 0.0 161 -1.9 0 0.0 0 0.0 11 57
79 123 ILE I B B a < TS- 161 0 -126.4 120.7 -178.9 -103.1 96.0 171.2 76 -1.8 0 0.0 0 0.0 0 0.0 11 60
80 124 ILE I - 0 0 -44.6 132.7 179.5 -138.5 37.0 89.9 161 -2.2 0 0.0 0 0.0 0 0.0 12 54
81 125 SER S e - 0 0 -99.4 147.5 179.0 -130.3 5.2 140.1 0 0.0 103 -0.8 0 0.0 0 0.0 10 44
82 126 LEU L E E BE + 102 0 -96.2 129.2 179.7 179.2 22.4 145.0 71 -1.0 0 0.0 0 0.0 0 0.0 11 47
83 127 LEU L E E B* - 0 0 -97.5 -38.0 -177.3 -2.6 65.3 34.9 101 -3.4 0 0.0 0 0.0 0 0.0 8 46
84 128 ASN N E E BE - 101 0 -157.0 145.2 177.8 -157.6 54.8 174.3 101 -1.2 101 -2.0 0 0.0 0 0.0 7 45
85 129 VAL V E E BE + 100 0 -125.5 143.8 179.8 154.4 25.2 166.4 0 0.0 0 0.0 0 0.0 0 0.0 10 53
86 130 PHE F E E BE - 99 0 -167.0 159.8 178.2 -154.0 30.5 174.5 99 -1.4 99 -2.2 0 0.0 0 0.0 9 49
87 131 THR T - 0 0 -136.8 132.1 179.2 -145.2 17.6 173.5 0 0.0 0 0.0 0 0.0 0 0.0 11 49
88 132 PRO P S S S+ 0 0 -72.0 -14.7 -179.4 94.4 76.7 50.1 0 0.0 0 0.0 0 0.0 0 0.0 9 41
89 133 GLN Q - 0 0 -84.7 138.3 -176.6 -152.5 64.5 128.9 0 0.0 0 0.0 0 0.0 0 0.0 9 36
90 134 LYS K + 0 0 -80.5 -31.2 -179.7 37.9 70.0 43.1 0 0.0 0 0.0 0 0.0 0 0.0 7 28
91 135 THR T S t > TS- 0 0 -124.7 163.9 179.4 -114.9 78.3 150.3 0 0.0 95 -1.9 0 0.0 0 0.0 6 23
92 136 LEU L T T 4 TS+ 0 0 -61.6 -29.9 179.9 53.7 117.9 35.8 0 0.0 0 0.0 0 0.0 0 0.0 9 29
93 137 GLU E T T 4 TS+ 0 0 -74.1 -35.7 -179.3 40.5 112.9 32.2 0 0.0 0 0.0 0 0.0 0 0.0 4 25
94 138 GLU E T T 4 TS+ 0 0 -83.7 -22.1 -179.3 127.1 88.0 44.9 0 0.0 0 0.0 0 0.0 0 0.0 7 24
95 139 PHE F t < T + 0 0 -41.8 122.2 -179.7 138.5 15.0 92.9 91 -1.9 0 0.0 0 0.0 0 0.0 10 36
96 140 GLN Q e + 0 0 -132.5 -54.2 -176.5 41.0 53.7 55.4 0 0.0 53 -0.7 0 0.0 0 0.0 9 46
97 141 ASP D E E BD - 52 0 -111.9 161.0 177.1 -157.1 50.4 131.4 0 0.0 0 0.0 0 0.0 0 0.0 12 55
98 142 VAL V E E BD - 51 0 -131.8 140.1 -178.9 -152.9 10.8 169.5 51 -1.4 51 -2.9 0 0.0 100 -0.5 13 63
99 143 TYR Y E E BDE - 50 86 -121.5 116.3 179.5 -161.5 3.6 165.9 86 -2.2 86 -1.4 0 0.0 101 -0.5 12 62
100 144 LEU L E E BDE - 49 85 -98.1 124.9 179.0 -163.2 7.0 150.2 49 -2.8 49 -3.1 98 -0.5 102 -0.5 13 61
101 145 VAL V E E BDE + 48 84 -111.1 122.6 -178.6 162.7 18.8 162.2 84 -2.0 83 -3.4 99 -0.5 84 -1.2 12 58
102 146 MET M E E BDE - 47 82 -132.3 169.6 177.6 -76.9 45.3 150.3 47 -3.3 47 -3.3 100 -0.5 0 0.0 12 61
103 147 GLU E E E BD - 46 0 -65.6 145.3 -178.6 -111.2 55.2 110.2 81 -0.8 0 0.0 0 0.0 0 0.0 11 52
104 148 LEU L e - 0 0 -89.0 128.0 179.0 -171.2 32.7 135.5 45 -0.9 0 0.0 0 0.0 0 0.0 8 51
105 149 MET M - 0 0 -106.3 167.7 -177.2 -124.3 26.7 131.5 0 0.0 0 0.0 0 0.0 0 0.0 8 49
106 150 ASP D S S S- 0 0 -91.0 -23.1 -179.0 -22.2 70.9 40.3 153 -1.1 0 0.0 0 0.0 0 0.0 8 40
107 151 ALA A E E CF - 153 0 -169.1 -179.2 178.6 -81.8 60.1 168.8 153 -2.0 153 -2.5 0 0.0 0 0.0 9 42
108 152 ASN N E E >CF T - 152 0 -89.3 167.9 175.7 -118.5 36.5 112.6 0 0.0 112 -0.8 0 0.0 0 0.0 12 43
109 153 LEU L H H > TS+ 0 0 -81.2 -14.7 179.0 66.6 115.8 44.8 148 -1.6 113 -1.6 151 -1.1 0 0.0 12 56
110 154 CYS C H H > TS+ 0 0 -71.5 -31.6 -179.7 46.8 100.8 37.3 0 0.0 114 -0.8 0 0.0 0 0.0 8 47
111 155 GLN Q H H 4 TS+ 0 0 -80.3 -27.6 179.5 50.6 111.6 41.6 0 0.0 0 0.0 0 0.0 0 0.0 8 36
112 156 VAL V H H < > TS+ 0 0 -80.1 -26.2 -179.5 59.4 104.0 39.0 108 -0.8 115 -1.2 0 0.0 0 0.0 10 46
113 157 ILE I H H < 3 TS+ 0 0 -71.1 -31.8 179.5 64.3 95.1 32.4 109 -1.6 0 0.0 0 0.0 0 0.0 11 43
114 158 GLN Q T h < 3 TS+ 0 0 -73.3 4.5 -179.5 65.8 100.4 68.7 110 -0.8 0 0.0 0 0.0 0 0.0 8 27
115 159 MET M S t < TS- 0 0 -129.7 157.4 179.1 -104.8 89.7 154.4 112 -1.2 117 -0.7 0 0.0 0 0.0 7 32
116 160 GLU E - 0 0 -81.0 116.2 179.5 -160.1 39.8 136.4 0 0.0 0 0.0 0 0.0 0 0.0 7 33
117 161 LEU L - 0 0 -97.3 147.0 177.7 -127.1 12.2 136.9 115 -0.7 0 0.0 0 0.0 0 0.0 8 40
118 162 ASP D h > T - 0 0 -84.8 164.7 -179.3 -104.9 31.3 120.3 0 0.0 122 -2.4 0 0.0 0 0.0 7 41
119 163 HIS H H H > TS+ 0 0 -61.6 -24.3 -179.1 58.4 118.3 42.3 0 0.0 123 -1.5 0 0.0 0 0.0 10 47
120 164 GLU E H H > TS+ 0 0 -70.8 -47.9 -179.0 35.6 113.0 18.9 0 0.0 124 -0.8 0 0.0 0 0.0 6 39
121 165 ARG R H H > TS+ 0 0 -74.3 -39.2 179.5 54.8 115.6 27.5 0 0.0 125 -2.7 0 0.0 0 0.0 9 38
122 166 MET M H H X TS+ 0 0 -62.6 -46.4 179.4 43.7 111.6 22.3 118 -2.4 126 -2.5 0 0.0 0 0.0 10 62
123 167 SER S H H X TS+ 0 0 -71.8 -23.3 -179.6 51.9 114.0 43.7 119 -1.5 127 -1.5 0 0.0 0 0.0 10 56
124 168 TYR Y H H X TS+ 0 0 -78.9 -42.4 178.5 45.4 111.3 27.7 120 -0.8 128 -1.4 0 0.0 0 0.0 11 51
125 169 LEU L H H X > TS+ 0 0 -61.3 -51.6 179.5 47.9 115.9 9.7 121 -2.7 129 -2.2 0 0.0 128 -1.1 11 64
126 170 LEU L H H X 3 TS+ 0 0 -56.1 -41.2 179.3 53.3 109.2 31.7 122 -2.5 130 -2.0 0 0.0 0 0.0 11 71
127 171 TYR Y H H X 3 TS+ 0 0 -66.2 -28.5 -179.8 51.1 108.5 38.5 123 -1.5 131 -0.7 0 0.0 0 0.0 12 63
128 172 GLN Q H H X < TS+ 0 0 -75.5 -42.2 178.1 52.0 106.7 22.4 124 -1.4 132 -2.5 125 -1.1 0 0.0 12 62
129 173 MET M H H X TS+ 0 0 -56.8 -50.0 -179.9 45.9 112.5 19.6 125 -2.2 133 -2.8 0 0.0 0 0.0 13 75
130 174 LEU L H H X TS+ 0 0 -65.6 -23.9 -179.6 57.1 109.9 40.4 126 -2.0 134 -1.4 0 0.0 0 0.0 12 72
131 175 CYS C H H X TS+ 0 0 -73.3 -44.6 179.4 37.7 112.8 20.1 127 -0.7 135 -1.5 0 0.0 0 0.0 11 60
132 176 GLY G H H X TS+ 0 0 -70.9 -46.1 -179.8 53.2 115.2 20.3 128 -2.5 136 -2.8 0 0.0 0 0.0 14 70
133 177 ILE I H H X TS+ 0 0 -57.4 -37.0 178.7 51.7 108.7 32.5 129 -2.8 137 -2.2 0 0.0 0 0.0 12 66
134 178 LYS K H H X TS+ 0 0 -66.8 -41.8 -179.8 48.8 109.8 24.6 130 -1.4 138 -1.7 0 0.0 0 0.0 11 58
135 179 HIS H H H X TS+ 0 0 -64.3 -45.2 178.4 49.8 111.1 22.0 131 -1.5 139 -1.1 0 0.0 0 0.0 14 52
136 180 LEU L H H < >>TS+ 0 0 -58.6 -42.6 -178.8 54.0 108.5 24.8 132 -2.8 141 -2.8 0 0.0 139 -0.7 13 56
137 181 HIS H H H < >5TS+ 0 0 -63.0 -35.2 179.9 52.3 105.2 32.9 133 -2.2 140 -0.9 0 0.0 0 0.0 10 48
138 182 SER S H H < 35TS+ 0 0 -73.3 -22.4 179.9 54.0 107.4 43.3 134 -1.7 0 0.0 0 0.0 0 0.0 8 36
139 183 ALA A T h < <5TS- 0 0 -89.8 -2.8 179.8 -101.3 125.4 64.3 135 -1.1 0 0.0 136 -0.7 0 0.0 9 37
140 184 GLY G T T <5TS+ 0 0 94.4 7.0 -179.1 130.9 82.4 60.5 137 -0.9 142 -0.6 0 0.0 0 0.0 6 38
141 185 ILE I t T - 0 0 -145.5 156.5 -179.7 -109.6 50.8 165.4 0 0.0 150 -1.1 0 0.0 0 0.0 10 60
148 192 PRO P G G > TS+ 0 0 -56.3 -36.6 -178.7 63.6 114.1 27.3 0 0.0 151 -2.0 0 0.0 109 -1.6 10 63
149 193 SER S G G 3 TS+ 0 0 -60.6 -25.2 -179.0 47.3 104.8 39.3 0 0.0 0 0.0 0 0.0 0 0.0 8 52
150 194 ASN N G e < TS+ 0 0 -102.9 13.1 178.7 82.1 96.1 81.2 147 -1.1 162 -3.5 0 0.0 0 0.0 11 61
151 195 ILE I E E C G< T - 0 161 -120.3 122.8 -178.6 -162.8 64.9 172.7 148 -2.0 109 -1.1 0 0.0 0 0.0 13 62
152 196 VAL V E E CFG - 108 160 -112.5 143.6 -179.8 -165.9 4.4 153.5 160 -3.1 160 -2.6 0 0.0 0 0.0 15 53
153 197 VAL V E E CFG - 107 159 -125.0 156.9 178.1 -143.6 9.8 151.4 107 -2.5 107 -2.0 0 0.0 106 -1.1 13 51
154 198 LYS K e > T - 0 0 -106.9 174.3 -179.9 -100.1 37.4 124.6 158 -2.3 157 -1.1 0 0.0 0 0.0 10 41
155 199 SER S T T 3 TS+ 0 0 -68.7 -28.6 -179.5 60.8 119.3 35.5 0 0.0 0 0.0 0 0.0 0 0.0 6 24
156 200 ASP D T T 3 TS- 0 0 -84.9 18.7 179.8 -102.3 123.6 81.8 0 0.0 0 0.0 0 0.0 0 0.0 4 26
157 201 CYS C S t < TS+ 0 0 69.7 19.0 177.0 149.3 72.9 48.0 154 -1.1 0 0.0 0 0.0 0 0.0 9 37
158 202 THR T e - 0 0 -82.0 144.0 -176.6 -152.8 30.7 129.8 0 0.0 154 -2.3 0 0.0 0 0.0 9 41
159 203 LEU L E E CG + 153 0 -124.8 150.6 178.0 177.0 18.5 156.4 0 0.0 0 0.0 0 0.0 0 0.0 12 54
160 204 LYS K E E CG - 152 0 -148.7 145.5 177.8 -129.8 25.2 173.0 152 -2.6 152 -3.1 0 0.0 0 0.0 14 56
161 205 ILE I E E CGa - 151 79 -96.8 134.0 -177.9 -159.9 16.6 147.9 78 -1.9 80 -2.2 0 0.0 0 0.0 12 61
162 206 LEU L e + 0 0 -78.2 -57.3 -177.4 34.7 62.1 18.5 150 -3.5 0 0.0 0 0.0 0 0.0 9 72
163 207 ASP D - 0 0 -98.4 177.5 179.9 -128.9 66.1 111.8 0 0.0 0 0.0 0 0.0 0 0.0 6 65
164 208 PHE F - 0 0 -110.1 6.6 176.1 -136.1 47.5 73.0 0 0.0 0 0.0 0 0.0 0 0.0 9 59
165 209 GLY G - 0 0 91.5 -137.7 -178.4 -5.8 47.4 127.3 0 0.0 0 0.0 0 0.0 0 0.0 9 62
166 210 LEU L 0 0 -107.6 142.3 179.1 999.9 999.9 147.9 143 -2.3 0 0.0 0 0.0 0 0.0 7 50
167! 211 ALA A 0 0 -80.0 999.9 999.9 999.9 999.9 102.8 0 0.0 0 0.0 0 0.0 0 0.0 3 38
168! 217 SER S 0 0 999.9 55.9 -179.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 24
169 218 PHE F - 0 0 -77.7 130.1 179.2 -177.1 999.9 124.0 0 0.0 0 0.0 0 0.0 0 0.0 4 18
170 219 MET M - 0 0 -133.6 114.9 179.1 -158.2 19.4 166.7 0 0.0 172 -1.4 0 0.0 0 0.0 5 23
171 220 MET M + 0 0 -89.0 83.2 -177.0 144.2 46.7 135.7 0 0.0 0 0.0 0 0.0 0 0.0 4 16
172 221 THR T - 0 0 -127.0 162.6 179.1 -131.2 62.8 144.4 170 -1.4 0 0.0 0 0.0 0 0.0 5 21
173 222 PRO P S S S+ 0 0 -83.3 -11.9 -178.8 77.0 85.9 55.1 0 0.0 0 0.0 0 0.0 0 0.0 4 13
174 223 TYR Y S S S- 0 0 -123.1 153.2 -176.3 -114.2 72.5 147.4 0 0.0 0 0.0 0 0.0 0 0.0 5 17
175 224 VAL V - 0 0 -66.6 160.7 177.7 -135.8 14.4 91.0 0 0.0 0 0.0 0 0.0 0 0.0 5 23
176 225 VAL V - 0 0 -118.6 134.6 -179.5 -128.8 21.6 162.2 0 0.0 178 -0.6 0 0.0 0 0.0 4 35
177 226 THR T + 0 0 -89.4 118.5 -179.6 163.6 34.1 139.7 0 0.0 0 0.0 0 0.0 0 0.0 6 40
178 227 ARG R t > T + 0 0 -103.9 -20.5 -176.8 101.9 46.3 48.0 176 -0.6 181 -2.9 0 0.0 0 0.0 6 46
179 228 TYR Y T T 3 TS+ 0 0 -40.1 -24.2 -176.5 45.7 84.0 55.0 0 0.0 0 0.0 0 0.0 0 0.0 11 50
180 229 TYR Y T T 3 TS+ 0 0 -109.2 7.3 -180.0 118.1 83.5 69.0 0 0.0 0 0.0 0 0.0 0 0.0 13 57
181 230 ARG R t < T - 0 0 -79.6 143.1 -178.8 -116.9 64.1 119.4 178 -2.9 0 0.0 0 0.0 0 0.0 12 62
182 231 ALA A h > > T - 0 0 -73.7 159.1 179.8 -110.1 24.6 107.2 0 0.0 186 -2.2 0 0.0 185 -1.0 12 62
183 232 PRO P H H > 3 TS+ 0 0 -58.0 -33.9 179.3 65.4 119.6 28.9 0 0.0 187 -3.0 0 0.0 185 -0.6 10 67
184 233 GLU E H H 4 3>TS+ 0 0 -79.1 29.8 177.4 34.7 111.7 91.4 0 0.0 189 -0.6 0 0.0 190 -0.5 11 49
185 234 VAL V H H 4 <5TS+ 0 0 -146.2 -38.4 177.7 51.9 115.9 74.4 182 -1.0 0 0.0 183 -0.6 0 0.0 11 45
186 235 ILE I H H < 5TS+ 0 0 -69.1 -42.4 -178.4 29.2 125.6 24.3 182 -2.2 0 0.0 0 0.0 0 0.0 9 50
187 236 LEU L T h < 5TS- 0 0 -100.3 4.6 -179.2 -120.8 110.9 70.8 183 -3.0 0 0.0 0 0.0 0 0.0 8 46
188 237 GLY G T T 5T + 0 0 53.7 102.3 -176.0 145.8 56.6 25.1 0 0.0 0 0.0 0 0.0 0 0.0 7 36
189 238 MET M t T - 0 0 -157.5 -178.1 -178.5 -63.9 53.7 152.9 0 0.0 195 -1.8 0 0.0 0 0.0 6 41
193 242 GLU E T T > TS+ 0 0 -42.7 -55.1 -176.7 62.6 122.2 27.9 0 0.0 196 -1.6 0 0.0 0 0.0 9 50
194 243 ASN N T h > > TS+ 0 0 -62.9 9.8 178.1 94.4 72.8 70.8 0 0.0 198 -0.7 0 0.0 197 -0.6 12 55
195 244 VAL V H H > < TS+ 0 0 -69.1 -26.5 -179.9 55.0 84.4 34.3 192 -1.8 199 -0.7 0 0.0 0 0.0 13 59
196 245 ASP D H H > < TS+ 0 0 -79.0 -17.2 178.9 69.8 92.9 50.1 193 -1.6 200 -1.8 0 0.0 0 0.0 14 70
197 246 ILE I H H > < TS+ 0 0 -69.2 -31.4 -179.9 55.8 94.8 30.3 194 -0.6 201 -1.9 0 0.0 0 0.0 13 66
198 247 TRP W H H X TS+ 0 0 -68.0 -40.6 180.0 47.8 107.1 26.7 194 -0.7 202 -1.8 0 0.0 0 0.0 14 61
199 248 SER S H H X TS+ 0 0 -66.0 -39.5 178.9 52.7 110.4 27.5 195 -0.7 203 -1.4 0 0.0 0 0.0 15 71
200 249 VAL V H H X TS+ 0 0 -62.2 -36.3 -179.6 48.9 110.2 32.4 196 -1.8 204 -2.8 0 0.0 0 0.0 13 76
201 250 GLY G H H X TS+ 0 0 -73.7 -35.0 178.9 52.2 108.3 33.7 197 -1.9 205 -2.4 0 0.0 0 0.0 11 71
202 251 CYS C H H X TS+ 0 0 -70.0 -29.3 180.0 45.7 113.9 39.1 198 -1.8 206 -0.6 0 0.0 0 0.0 13 68
203 252 ILE I H H X > TS+ 0 0 -78.4 -50.3 178.7 47.0 112.7 20.7 199 -1.4 207 -2.4 0 0.0 206 -0.6 11 67
204 253 MET M H H X 3 TS+ 0 0 -54.7 -47.8 -179.3 53.8 111.3 18.2 200 -2.8 208 -1.7 0 0.0 0 0.0 10 71
205 254 GLY G H H X 3 TS+ 0 0 -58.9 -28.9 179.0 44.7 111.6 39.6 201 -2.4 209 -2.5 0 0.0 0 0.0 12 65
206 255 GLU E H H X < TS+ 0 0 -85.1 -30.4 178.5 58.4 106.5 37.4 203 -0.6 210 -2.4 202 -0.6 0 0.0 12 53
207 256 MET M H H < TS+ 0 0 -66.3 -27.2 -179.6 35.5 118.2 37.6 203 -2.4 0 0.0 0 0.0 0 0.0 14 56
208 257 VAL V H H < TS+ 0 0 -90.5 -51.8 -178.2 37.8 124.4 26.5 204 -1.7 0 0.0 0 0.0 0 0.0 11 56
209 258 ARG R H H < TS- 0 0 -75.5 -24.1 -179.5 -139.7 93.1 40.7 205 -2.5 0 0.0 0 0.0 0 0.0 10 44
210 259 HIS H S h < TS+ 0 0 70.0 21.2 179.4 76.1 74.2 45.9 206 -2.4 0 0.0 0 0.0 0 0.0 10 34
211 260 LYS K S S S- 0 0 -156.9 150.6 -178.6 -77.6 96.6 168.4 0 0.0 0 0.0 0 0.0 0 0.0 6 32
212 261 ILE I - 0 0 -56.4 128.5 -179.1 -152.4 35.9 106.1 0 0.0 0 0.0 0 0.0 0 0.0 8 43
213 262 LEU L S S S+ 0 0 -66.1 -61.2 -178.5 18.1 82.5 14.7 0 0.0 0 0.0 0 0.0 0 0.0 10 55
214 263 PHE F S S S+ 0 0 -117.6 71.6 -179.8 170.4 80.4 126.3 0 0.0 0 0.0 0 0.0 0 0.0 11 49
215 264 PRO P + 0 0 -71.4 -179.9 179.3 147.5 6.1 91.9 0 0.0 0 0.0 0 0.0 0 0.0 9 36
216 265 GLY G - 0 0 156.6 150.6 179.2 -121.2 53.1 135.6 0 0.0 0 0.0 0 0.0 0 0.0 10 29
217 266 ARG R S S S+ 0 0 -74.3 -42.4 -178.4 5.0 100.1 28.7 0 0.0 0 0.0 0 0.0 0 0.0 7 23
218 267 ASP D S h > TS- 0 0 -130.7 -177.3 177.9 -90.6 89.4 132.7 0 0.0 222 -1.5 0 0.0 0 0.0 6 23
219 268 TYR Y H H > TS+ 0 0 -72.8 -12.8 179.7 62.7 125.0 51.7 0 0.0 223 -1.6 0 0.0 0 0.0 9 34
220 269 ILE I H H > TS+ 0 0 -76.6 -47.0 178.5 39.2 107.1 22.8 0 0.0 224 -1.3 0 0.0 0 0.0 8 32
221 270 ASP D H H > TS+ 0 0 -72.1 -26.3 -179.0 53.6 117.0 39.1 0 0.0 225 -1.3 0 0.0 0 0.0 10 29
222 271 GLN Q H H X TS+ 0 0 -77.0 -41.0 179.7 47.3 106.8 26.5 218 -1.5 226 -0.9 0 0.0 0 0.0 13 39
223 272 TRP W H H X TS+ 0 0 -67.9 -29.1 178.6 60.9 107.2 33.5 219 -1.6 227 -2.1 0 0.0 0 0.0 11 50
224 273 ASN N H H X TS+ 0 0 -60.7 -43.5 -179.8 47.2 105.4 23.6 220 -1.3 228 -1.9 0 0.0 0 0.0 8 39
225 274 LYS K H H < TS+ 0 0 -73.4 -19.6 179.5 56.1 108.2 45.3 221 -1.3 0 0.0 0 0.0 0 0.0 12 44
226 275 VAL V H H X TS+ 0 0 -78.7 -43.4 -179.4 36.5 114.3 22.9 222 -0.9 230 -2.1 0 0.0 0 0.0 10 55
227 276 ILE I H H X TS+ 0 0 -79.7 -26.9 179.4 66.3 107.9 38.8 223 -2.1 231 -1.2 0 0.0 0 0.0 12 46
228 277 GLU E H H < TS+ 0 0 -65.0 -23.7 -177.8 24.3 117.9 41.7 224 -1.9 0 0.0 0 0.0 0 0.0 11 34
229 278 GLN Q H H 4 TS+ 0 0 -109.1 -43.7 -178.5 29.7 134.9 37.7 0 0.0 258 -2.0 0 0.0 0 0.0 9 41
230 279 LEU L H H < TS- 0 0 -94.6 -15.6 179.9 -127.3 107.2 54.5 226 -2.1 0 0.0 0 0.0 0 0.0 11 44
231 280 GLY G h < T - 0 0 87.2 160.8 179.6 -41.6 40.3 84.9 227 -1.2 0 0.0 0 0.0 0 0.0 12 36
232 281 THR T S S S- 0 0 -61.5 123.6 -179.9 -113.1 71.6 114.2 255 -2.0 0 0.0 0 0.0 0 0.0 10 38
233 282 PRO P - 0 0 -57.5 157.6 -178.9 -81.8 39.6 94.5 0 0.0 0 0.0 0 0.0 0 0.0 9 45
234 283 CYS C t > > T - 0 0 -63.1 151.5 179.8 -107.6 40.1 100.3 0 0.0 237 -1.8 0 0.0 238 -1.1 6 31
235 284 PRO P T T 4 3 TS+ 0 0 -66.1 20.0 178.1 63.4 116.2 86.1 0 0.0 0 0.0 0 0.0 0 0.0 6 29
236 285 GLU E T T 4 3 TS+ 0 0 -114.6 -23.3 179.1 52.4 99.0 58.2 0 0.0 0 0.0 0 0.0 0 0.0 6 22
237 286 PHE F T g 4 X TS+ 0 0 -78.0 -43.1 -179.7 55.3 105.0 25.6 234 -1.8 240 -1.7 0 0.0 0 0.0 9 36
238 287 MET M G G < > TS+ 0 0 -63.0 -30.0 178.8 65.1 95.6 37.7 234 -1.1 241 -1.6 0 0.0 0 0.0 11 37
239 288 LYS K G G 3 TS+ 0 0 -73.6 2.3 179.6 57.7 98.5 61.6 0 0.0 0 0.0 0 0.0 0 0.0 7 29
240 289 LYS K G G < TS+ 0 0 -106.9 -7.3 179.9 97.1 88.1 63.3 237 -1.7 0 0.0 0 0.0 0 0.0 7 32
241 290 LEU L S g < TS- 0 0 -82.7 156.5 178.4 -94.0 87.8 117.8 238 -1.6 0 0.0 0 0.0 0 0.0 10 34
242 291 GLN Q h > > T - 0 0 -66.9 142.0 -179.9 -112.8 40.8 116.8 0 0.0 246 -3.7 0 0.0 245 -1.5 7 25
243 292 PRO P H H > 3 TS+ 0 0 -50.0 -27.8 179.3 48.3 117.2 45.6 0 0.0 247 -0.9 0 0.0 0 0.0 6 19
244 293 THR T H H > 3 TS+ 0 0 -86.4 -23.3 179.3 38.7 119.5 44.7 0 0.0 248 -0.7 0 0.0 0 0.0 6 18
245 294 VAL V H H > < TS+ 0 0 -88.6 -39.6 -179.8 58.7 110.9 33.8 242 -1.5 249 -2.2 0 0.0 0 0.0 9 28
246 295 ARG R H H X TS+ 0 0 -56.1 -42.9 179.4 53.3 104.2 29.3 242 -3.7 250 -2.8 0 0.0 0 0.0 11 32
247 296 ASN N H H X TS+ 0 0 -58.4 -53.0 -179.2 48.3 109.2 18.3 243 -0.9 251 -2.4 0 0.0 0 0.0 8 24
248 297 TYR Y H H < TS+ 0 0 -56.6 -45.5 -179.2 41.3 116.3 32.9 244 -0.7 0 0.0 0 0.0 0 0.0 8 32
249 298 VAL V H H < > TS+ 0 0 -72.8 -45.7 -179.8 49.1 115.4 22.4 245 -2.2 252 -1.5 0 0.0 0 0.0 8 42
250 299 GLU E H H < 3 TS+ 0 0 -63.7 -37.8 -178.3 48.3 112.2 25.7 246 -2.8 0 0.0 0 0.0 0 0.0 7 30
251 300 ASN N T h < 3 TS+ 0 0 -87.6 12.6 179.5 107.7 91.0 71.2 247 -2.4 0 0.0 0 0.0 0 0.0 6 24
252 301 ARG R S t < TS- 0 0 -91.1 140.3 179.8 -82.2 88.9 134.2 249 -1.5 0 0.0 0 0.0 0 0.0 6 30
253 302 PRO P - 0 0 -42.1 126.0 -179.0 -119.1 55.1 94.6 0 0.0 0 0.0 0 0.0 0 0.0 4 25
254 303 LYS K - 0 0 -76.9 150.1 179.7 -171.6 28.1 112.8 0 0.0 0 0.0 0 0.0 0 0.0 6 26
255 304 TYR Y - 0 0 -138.8 139.1 178.4 -155.2 21.8 173.4 0 0.0 232 -2.0 0 0.0 0 0.0 8 24
256 305 ALA A - 0 0 -81.0 -37.3 178.5 -132.7 51.5 31.6 0 0.0 0 0.0 0 0.0 0 0.0 7 25
257 306 GLY G - 0 0 100.1 149.3 178.6 -87.2 6.6 83.7 0 0.0 0 0.0 0 0.0 0 0.0 10 27
258 307 LEU L - 0 0 -84.5 159.3 178.2 -117.9 41.1 116.5 229 -2.0 0 0.0 0 0.0 0 0.0 10 29
259 308 THR T h > > T - 0 0 -95.9 159.0 -178.4 -108.9 26.3 132.8 0 0.0 263 -2.0 0 0.0 262 -1.1 7 31
260 309 PHE F H H > 3 TS+ 0 0 -59.2 -35.7 179.0 57.3 116.4 36.9 0 0.0 264 -3.1 0 0.0 0 0.0 10 41
261 310 PRO P H H 4 3 TS+ 0 0 -67.0 -22.1 179.0 44.4 113.5 33.9 0 0.0 0 0.0 0 0.0 0 0.0 8 33
262 311 LYS K H H 4 < TS+ 0 0 -82.7 -41.4 180.0 44.5 116.1 32.5 259 -1.1 0 0.0 0 0.0 0 0.0 7 29
263 312 LEU L H H < TS+ 0 0 -68.6 -44.2 179.9 23.1 132.1 26.0 259 -2.0 0 0.0 0 0.0 0 0.0 8 45
264 313 PHE F S h < TS- 0 0 -126.9 79.5 179.9 -172.3 88.2 138.1 260 -3.1 0 0.0 0 0.0 0 0.0 11 44
265 314 PRO P t > T - 0 0 -65.3 171.8 -179.9 -101.1 40.9 93.7 0 0.0 268 -1.2 0 0.0 0 0.0 9 35
266 315 ASP D T T 3 TS+ 0 0 -70.9 -12.6 -179.9 75.9 114.7 51.5 0 0.0 0 0.0 0 0.0 0 0.0 9 35
267 316 SER S T T 3 TS+ 0 0 -69.0 -27.8 -179.1 48.1 95.2 37.8 0 0.0 0 0.0 0 0.0 0 0.0 6 28
268 317 LEU L S t < TS+ 0 0 -87.2 -16.1 -179.4 68.3 106.1 54.6 265 -1.2 0 0.0 0 0.0 0 0.0 8 38
269 318 PHE F S S S- 0 0 -106.9 144.7 179.3 -110.9 92.7 146.3 0 0.0 271 -1.0 0 0.0 0 0.0 8 45
270 319 PRO P + 0 0 -75.1 105.6 -179.3 162.3 48.2 130.7 0 0.0 0 0.0 0 0.0 0 0.0 12 34
271 320 ALA A + 0 0 -123.1 55.8 179.4 105.5 35.3 115.8 269 -1.0 0 0.0 0 0.0 0 0.0 10 27
272 321 ASP D S S S+ 0 0 -95.4 -53.8 179.6 50.9 73.7 30.4 0 0.0 0 0.0 0 0.0 0 0.0 6 18
273 322 SER S S h > TS- 0 0 -78.3 170.9 178.4 -116.7 88.0 102.2 0 0.0 277 -0.9 0 0.0 0 0.0 7 17
274 323 GLU E H H > TS+ 0 0 -77.8 -29.9 178.9 55.0 118.8 34.4 0 0.0 278 -1.8 0 0.0 0 0.0 7 16
275 324 HIS H H H > TS+ 0 0 -66.3 -41.4 179.5 47.6 108.9 26.8 0 0.0 279 -2.2 0 0.0 0 0.0 6 22
276 325 ASN N H H > TS+ 0 0 -72.8 -22.8 178.9 57.3 106.8 44.2 0 0.0 280 -1.5 0 0.0 0 0.0 11 31
277 326 LYS K H H X TS+ 0 0 -74.6 -44.4 179.0 41.6 111.2 23.7 273 -0.9 281 -0.8 0 0.0 0 0.0 11 27
278 327 LEU L H H X > TS+ 0 0 -68.6 -45.2 179.4 49.4 115.9 20.8 274 -1.8 282 -2.3 0 0.0 281 -0.9 8 29
279 328 LYS K H H X 3 TS+ 0 0 -62.3 -34.0 179.5 57.8 106.1 32.3 275 -2.2 283 -2.9 0 0.0 0 0.0 10 41
280 329 ALA A H H X 3 TS+ 0 0 -69.0 -23.4 178.8 45.2 109.0 43.1 276 -1.5 284 -1.1 0 0.0 0 0.0 13 45
281 330 SER S H H X < TS+ 0 0 -84.0 -43.5 179.1 49.5 113.6 28.0 278 -0.9 285 -2.2 277 -0.8 0 0.0 8 41
282 331 GLN Q H H X TS+ 0 0 -59.8 -44.7 -179.8 50.2 110.4 26.0 278 -2.3 286 -1.6 0 0.0 0 0.0 10 47
283 332 ALA A H H X > TS+ 0 0 -59.6 -48.7 -179.6 47.4 112.1 18.2 279 -2.9 287 -2.4 0 0.0 286 -0.6 9 59
284 333 ARG R H H X 3 TS+ 0 0 -63.3 -33.0 179.6 56.0 108.5 33.7 280 -1.1 288 -2.4 0 0.0 0 0.0 11 51
285 334 ASP D H H X 3 TS+ 0 0 -69.7 -33.7 179.5 47.5 108.0 34.8 281 -2.2 289 -0.6 0 0.0 0 0.0 8 46
286 335 LEU L H H X X TS+ 0 0 -71.8 -48.5 177.5 51.9 110.1 22.2 282 -1.6 289 -1.1 283 -0.6 290 -1.0 11 57
287 336 LEU L H H X > TS+ 0 0 -51.5 -47.6 -177.9 55.4 106.1 17.6 283 -2.4 291 -3.0 0 0.0 290 -1.8 12 62
288 337 SER S H H < 3 TS+ 0 0 -59.5 -24.2 -179.6 45.6 111.1 42.3 284 -2.4 0 0.0 0 0.0 0 0.0 9 49
289 338 LYS K H H < < TS+ 0 0 -96.6 -8.8 179.4 42.9 116.7 57.0 286 -1.1 299 -2.2 285 -0.6 0 0.0 9 48
290 339 MET M H H < < TS+ 0 0 -102.1 -39.9 179.3 61.5 104.2 37.2 287 -1.8 292 -1.7 286 -1.0 0 0.0 12 58
291 340 LEU L S h < TS+ 0 0 -88.7 64.2 177.8 129.9 73.9 120.5 287 -3.0 0 0.0 0 0.0 0 0.0 11 62
292 341 VAL V - 0 0 -117.0 130.5 -178.1 -147.8 52.3 169.1 290 -1.7 0 0.0 0 0.0 0 0.0 11 58
293 342 ILE I S S S+ 0 0 -69.1 -37.2 -179.1 73.6 80.4 28.1 0 0.0 0 0.0 0 0.0 0 0.0 9 64
294 343 ASP D t > > T - 0 0 -84.7 116.4 179.6 -153.3 69.5 133.3 0 0.0 297 -1.7 0 0.0 298 -0.8 8 49
295 344 PRO P T T 4 3 TS+ 0 0 -56.0 -28.9 180.0 60.0 96.8 41.2 0 0.0 0 0.0 0 0.0 0 0.0 11 46
296 345 ALA A T T 4 3 TS+ 0 0 -73.6 -22.6 178.4 37.3 112.6 45.7 0 0.0 0 0.0 0 0.0 0 0.0 4 35
297 346 LYS K T T 4 < TS+ 0 0 -105.7 -3.0 -179.5 103.8 98.4 64.8 294 -1.7 0 0.0 0 0.0 0 0.0 7 36
298 347 ARG R S t < TS- 0 0 -86.5 138.9 -178.9 -106.0 77.5 129.6 294 -0.8 0 0.0 0 0.0 0 0.0 13 41
299 348 ILE I - 0 0 -63.0 144.3 179.7 -124.1 31.0 102.0 289 -2.2 0 0.0 0 0.0 0 0.0 11 42
300 349 SER S h > T - 0 0 -83.0 170.8 -180.0 -111.9 20.8 106.4 0 0.0 304 -1.8 0 0.0 0 0.0 9 48
301 350 VAL V H H > TS+ 0 0 -69.0 -42.1 -179.1 51.0 117.7 26.3 0 0.0 305 -1.4 0 0.0 0 0.0 12 53
302 351 ASP D H H > TS+ 0 0 -65.0 -40.1 179.8 43.5 113.7 25.9 0 0.0 306 -0.7 0 0.0 0 0.0 7 45
303 352 ASP D H H 4 TS+ 0 0 -75.7 -30.4 178.8 54.9 110.4 35.3 0 0.0 0 0.0 0 0.0 0 0.0 8 43
304 353 ALA A H H < TS+ 0 0 -71.5 -24.5 179.2 51.8 107.9 39.3 300 -1.8 0 0.0 0 0.0 0 0.0 11 52
305 354 LEU L H H < TS+ 0 0 -83.6 -19.3 178.8 51.4 107.6 47.4 301 -1.4 0 0.0 0 0.0 0 0.0 11 50
306 355 GLN Q S h < TS+ 0 0 -95.1 0.1 179.6 115.8 85.2 65.3 302 -0.7 0 0.0 0 0.0 0 0.0 9 35
307 356 HIS H S t > > TS- 0 0 -70.5 141.1 180.0 -119.0 77.8 117.1 0 0.0 311 -3.4 0 0.0 310 -1.6 9 41
308 357 PRO P T T 4 3 TS+ 0 0 -53.0 -28.1 179.6 54.4 112.6 47.2 0 0.0 0 0.0 0 0.0 0 0.0 7 37
309 358 TYR Y T T 4 3 TS+ 0 0 -81.4 -21.2 -179.1 26.2 123.0 45.7 0 0.0 0 0.0 0 0.0 0 0.0 10 45
310 359 ILE I T g 4 X TS+ 0 0 -106.7 -45.6 -177.6 69.4 106.5 36.6 307 -1.6 313 -1.3 0 0.0 0 0.0 14 51
311 360 ASN N G G < > TS+ 0 0 -56.5 -10.9 179.1 89.5 73.3 55.3 307 -3.4 314 -1.7 0 0.0 0 0.0 10 38
312 361 VAL V G G 3 TS+ 0 0 -66.9 0.5 179.1 38.8 98.0 59.5 0 0.0 0 0.0 0 0.0 0 0.0 6 34
313 362 TRP W G G < TS+ 0 0 -127.4 3.2 -178.3 146.3 83.3 72.7 310 -1.3 0 0.0 0 0.0 0 0.0 7 36
314 363 TYR Y g < T + 0 0 -48.9 135.2 -179.8 174.6 18.7 97.2 311 -1.7 0 0.0 0 0.0 0 0.0 10 33
315 364 ASP D h > > T - 0 0 -149.8 118.6 179.9 -141.6 30.8 157.9 0 0.0 319 -2.9 0 0.0 318 -0.6 6 29
316 365 PRO P H H > 3 TS+ 0 0 -47.9 -39.8 -179.9 50.7 102.9 37.5 0 0.0 320 -1.3 0 0.0 0 0.0 7 25
317 366 ALA A H H 4 3 TS+ 0 0 -72.4 -34.4 -180.0 41.2 115.9 30.1 0 0.0 0 0.0 0 0.0 0 0.0 6 24
318 367 GLU E H H 4 < TS+ 0 0 -80.3 -42.3 -179.4 34.5 124.3 23.8 315 -0.6 0 0.0 0 0.0 0 0.0 9 41
319 368 VAL V H H < TS+ 0 0 -78.3 -56.7 179.0 35.4 126.0 15.5 315 -2.9 321 -0.9 0 0.0 0 0.0 10 42
320 369 GLU E S h < TS+ 0 0 -99.2 65.5 178.2 153.2 80.5 119.8 316 -1.3 0 0.0 0 0.0 0 0.0 7 35
321 370 ALA A - 0 0 -87.3 151.1 180.0 -94.9 52.4 127.1 319 -0.9 0 0.0 0 0.0 0 0.0 9 30
322 371 PRO P - 0 0 -75.0 131.8 179.7 -146.7 36.4 121.2 0 0.0 0 0.0 0 0.0 0 0.0 5 27
323 372 PRO P 0 0 -90.0 159.0 179.7 999.9 999.9 123.3 0 0.0 0 0.0 0 0.0 0 0.0 9 30
324! 373 PRO P 0 0 -65.4 999.9 999.9 999.9 999.9 3.6 0 0.0 0 0.0 0 0.0 0 0.0 5 24
325! 379 GLN Q 0 0 999.9 140.6 -179.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 21
326 380 LEU L - 0 0 -17.0 92.3 -175.9 -169.1 999.9 72.2 0 0.0 328 -0.8 0 0.0 0 0.0 3 18
327 381 ASP D + 0 0 -107.6 82.4 175.9 97.1 49.4 132.1 0 0.0 0 0.0 0 0.0 0 0.0 5 32
328 382 GLU E + 0 0 -155.2 75.8 -175.8 124.1 64.6 130.3 326 -0.8 0 0.0 0 0.0 0 0.0 5 31
329 383 ARG R - 0 0 -124.8 -156.3 -177.6 -102.6 55.2 112.3 0 0.0 0 0.0 0 0.0 0 0.0 4 26
330 384 GLU E + 0 0 -146.4 130.6 -179.9 148.9 36.6 169.8 0 0.0 0 0.0 0 0.0 0 0.0 4 28
331 385 HIS H - 0 0 -152.1 169.0 178.6 -100.6 40.1 162.3 0 0.0 0 0.0 0 0.0 0 0.0 7 27
332 386 THR T t > > T - 0 0 -90.5 166.5 -177.4 -99.3 44.4 120.1 0 0.0 336 -1.9 0 0.0 335 -0.7 7 24
333 387 ILE I T T 4 3 TS+ 0 0 -64.2 -14.3 178.4 43.7 122.6 54.6 0 0.0 0 0.0 0 0.0 0 0.0 11 32
334 388 GLU E T h > 3 TS+ 0 0 -102.1 -19.4 176.9 54.4 110.6 49.1 0 0.0 338 -1.6 0 0.0 0 0.0 7 31
335 389 GLU E H H > < TS+ 0 0 -76.6 -32.8 179.2 49.9 109.6 39.0 332 -0.7 339 -1.6 0 0.0 0 0.0 8 30
336 390 TRP W H H X TS+ 0 0 -72.2 -37.2 179.6 55.8 105.8 34.3 332 -1.9 340 -2.5 0 0.0 0 0.0 14 42
337 391 LYS K H H > TS+ 0 0 -59.6 -47.8 -179.7 47.4 109.2 18.1 0 0.0 341 -2.8 0 0.0 0 0.0 12 43
338 392 GLU E H H X TS+ 0 0 -60.6 -44.7 -179.3 48.0 112.8 26.5 334 -1.6 342 -2.4 0 0.0 0 0.0 9 39
339 393 LEU L H H < TS+ 0 0 -66.7 -36.1 -179.6 47.1 113.6 30.8 335 -1.6 0 0.0 0 0.0 0 0.0 9 45
340 394 ILE I H H X > TS+ 0 0 -73.1 -40.6 179.5 49.6 112.6 25.1 336 -2.5 344 -2.4 0 0.0 343 -0.7 12 56
341 395 TYR Y H H X 3 TS+ 0 0 -63.6 -52.5 -179.4 50.4 108.8 16.1 337 -2.8 345 -2.7 0 0.0 0 0.0 10 43
342 396 LYS K H H < 3 TS+ 0 0 -65.5 -6.4 177.6 47.8 114.0 55.2 338 -2.4 0 0.0 0 0.0 0 0.0 8 33
343 397 GLU E H H 4 < TS+ 0 0 -96.1 -42.4 179.4 48.6 110.8 36.8 340 -0.7 0 0.0 0 0.0 0 0.0 10 41
344 398 VAL V H H < TS+ 0 0 -63.8 -36.0 -179.9 48.7 115.3 32.5 340 -2.4 346 -0.9 0 0.0 0 0.0 11 46
345 399 MET M h < T 0 0 -107.3 81.8 -179.3 999.9 999.9 141.6 341 -2.7 0 0.0 0 0.0 0 0.0 6 31
346 400 ASN N 0 0 -55.2 999.9 999.9 999.9 999.9 15.2 344 -0.9 0 0.0 0 0.0 0 0.0 4 25
1jnk-.pdb
1JNK TRANSFERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SEEEEEETTEEEEEETTEEEEEEEEE SSEEEEEEEETTTTEEEEEEEEESGGGSHHHHHHHHHHHHHHHH TTB EEEEE S STTT EEEE Kabs/Sand
chirality -+--+----+---+--++-+---++-+-+-----+---++-+----------+++-++++++++++++++++-+-++---+--+--+-+-+++++---- chirality
bends S SSS SS SS SSSSS SSSSSSSSSSSSSSSSSSSSSS SSS S SSSS bends
turns TTTT TTTT TTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTT TTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >>3<< >33< 3-turns
bridge-2 CCCCCCCC DDDDDDD EE bridge-2
bridge-1 AAAAAA AAAAAA BB**BB*BB BBBB*BB CCCCCCCC a E*EEE DDDD bridge-1
sheets AAAAAA AAAAAA BBBBBBBBB BBBBBBBB BBBBBBBBB BBBBB BBBB sheets
4-turns >444< >>>>XXXXXXX444< 4-turns
summary eEEEEEETTEEEEEEeeEEEEEEEEEeSeEEEEEEEEeTTTEEEEEEEEEeGGGhHHHHHHHHHHHHHHHHh tTTB eEEEEE S tTTTteEEEE summary
sequence DNQFYSVEVGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAVLDRNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIISLLNVFTPQKTLEEFQDVYL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEE SEEHHHHHTS HHHHHHHHHHHHHHHHHHHHTT GGGEEE TTS EEE SS TT HHHHTT TTHHHHHH Kabs/Sand
chirality +-------++++++----++++++++++++++++++++-+--++++-+++----+-+-+--+--- --+-+---++++--++++-+----++++++++ chirality
bends S SSSSSSS SSSSSSSSSSSSSSSSSSSSSS SSS SSS SS SS SSSSS SSSSSSSS bends
turns TTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTT TTTTTTTTTTTT TTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >>3<< >>3<< >33< >33<>33< >>><<< 3-turns
bridge-2 EE GGG a bridge-2
bridge-1 DDD FF FF GGG bridge-1
sheets BBB CC CCC CCC sheets
4-turns >>>4<<< >>>>XXXXXXXXXXXXXX<<<< >>44<< >>>>XXX 4-turns
summary EEEe SEEHHHHHht hHHHHHHHHHHHHHHHHHHHHhTt gGGeEEEeTTteEEEe SS tTTthHHHHhTt tThHHHHHH summary
sequence VMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLASFMMTPYVVTRYYRAPEVILGMGYKENVDIWSV sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHSS SS SSHHHHHHHHHHHH S TTTGGGS HHHHHHHHTS HHHHS TTSS SSHHHHHHHHHHHHHHHHHS S TTTS Kabs/Sand
chirality ++++++++-+--+++-+-+++++++++++-----++++++--+++++++++--------++++--+++-+++-++++++++++++++++++-+-+++--- chirality
bends SSSSSSSSSSS SS SSSSSSSSSSSSSS S SSSSSSS SSSSSSSSSS SSSSS SSSS SSSSSSSSSSSSSSSSSSSS S SSSS bends
turns TTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTT TTTTTTTTTTTTTTTTTTT TTTTT T turns
5-turns 5-turns
3-turns >33< >33X>3<<>33< >33< >33< >33< >33< >33X>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXX<<<< >>>>XXX444< >>>>XX<<<< >>44<< >>>>XXXXXXXXXXX<<<< >444< > 4-turns
summary HHHHHHHHHhS SS ShHHHHHHHHHHHHhS tTTgGGGghHHHHHHHHht hHHHHhtTTtS ShHHHHHHHHHHHHHHHHHh StTTTt h summary
sequence GCIMGEMVRHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRNYVENRPKYAGLTFPKLFPDSLFPADSEHNKLKASQARDLLSKMLVIDPAKRIS sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHHSSTTTGGG HHHHS TTHHHHHHHHHH Kabs/Sand
chirality ++++++-+++++++-+++++-- -++-+--++++++++++++ chirality
bends SSSSSSSSSSSSS SSSSS SSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33X>3<<>33< >33< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>4<<<>444< >>44<< >4>>X>X