Secondary structure calculation program - copyright by David Keith Smith, 1989
1tkiA.pdb
1TKI SERINE KINASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 321
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 18 LYS K 0 0 999.9 -113.7 -178.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 31
2 A 19 GLU E + 0 0 54.4 15.1 -178.3 44.2 999.9 60.3 0 0.0 0 0.0 0 0.0 0 0.0 9 30
3 A 20 LEU L t > > T + 0 0 -161.5 0.0 -177.2 108.3 67.6 64.1 0 0.0 7 -1.7 0 0.0 6 -1.6 8 37
4 A 21 TYR Y T T 4 3 T + 0 0 -70.5 -1.6 178.8 75.0 68.3 61.0 0 0.0 0 0.0 0 0.0 0 0.0 7 31
5 A 22 GLU E T T 4 3 TS+ 0 0 -80.4 -19.6 -179.1 14.5 118.1 45.3 0 0.0 0 0.0 0 0.0 0 0.0 4 21
6 A 23 LYS K T e 4 < TS+ 0 0 -128.5 -14.5 -178.3 50.3 124.7 59.5 3 -1.6 27 -1.9 0 0.0 0 0.0 8 29
7 A 24 TYR Y E E AAB >T - 7 31 -75.6 112.6 -178.3 -147.2 19.1 134.1 31 -2.8 30 -3.0 0 0.0 31 -0.5 12 33
27 A 44 THR T T e 4 5TS+ 0 0 -49.3 -46.1 -179.0 53.4 90.7 30.9 6 -1.9 0 0.0 25 -0.8 0 0.0 9 22
28 A 45 SER S T T 4 5TS+ 0 0 -58.7 -50.9 -178.1 18.8 126.6 22.2 0 0.0 0 0.0 0 0.0 0 0.0 5 16
29 A 46 SER S T T 4 5TS- 0 0 -97.7 -14.7 -177.9 -131.3 93.1 54.7 0 0.0 0 0.0 0 0.0 0 0.0 5 15
30 A 47 LYS K T T < 5T + 0 0 67.7 19.5 179.4 152.0 55.4 49.0 26 -3.0 0 0.0 0 0.0 0 0.0 7 20
31 A 48 LYS K E E AB T - 0 0 -144.1 160.8 178.2 -11.0 44.3 157.6 0 0.0 44 -1.3 0 0.0 0 0.0 9 29
42 A 59 GLY G T h > > TS+ 0 0 57.2 -134.6 -179.6 6.1 122.9 99.0 73 -0.6 45 -1.9 0 0.0 46 -0.7 8 21
43 A 60 THR T H H > > TS+ 0 0 -51.8 -32.8 -179.2 61.7 127.8 37.2 0 0.0 47 -0.9 0 0.0 46 -0.5 6 21
44 A 61 ASP D H H > < TS+ 0 0 -71.2 -21.8 178.3 66.3 90.1 43.7 41 -1.3 48 -1.8 0 0.0 0 0.0 9 30
45 A 62 GLN Q H H > < TS+ 0 0 -66.9 -33.8 178.6 57.6 96.0 29.7 42 -1.9 49 -2.8 0 0.0 0 0.0 11 33
46 A 63 VAL V H H X < TS+ 0 0 -60.5 -41.9 179.5 51.0 105.5 22.8 42 -0.7 50 -1.6 43 -0.5 0 0.0 8 32
47 A 64 LEU L H H X TS+ 0 0 -62.6 -42.5 179.9 47.2 110.7 26.3 43 -0.9 51 -1.6 0 0.0 0 0.0 10 39
48 A 65 VAL V H H X TS+ 0 0 -67.0 -38.4 -179.9 52.7 110.8 25.5 44 -1.8 52 -2.2 0 0.0 0 0.0 11 49
49 A 66 LYS K H H X TS+ 0 0 -68.7 -27.7 177.8 54.8 104.9 38.7 45 -2.8 53 -1.8 0 0.0 0 0.0 8 45
50 A 67 LYS K H H X TS+ 0 0 -70.9 -38.3 178.2 49.4 108.3 26.0 46 -1.6 54 -1.8 0 0.0 0 0.0 8 41
51 A 68 GLU E H H X TS+ 0 0 -63.6 -42.7 179.3 50.6 110.6 22.9 47 -1.6 55 -2.3 0 0.0 0 0.0 15 55
52 A 69 ILE I H H X TS+ 0 0 -63.4 -36.1 179.1 58.3 104.4 32.0 48 -2.2 56 -1.9 0 0.0 0 0.0 9 50
53 A 70 SER S H H X TS+ 0 0 -60.6 -43.1 179.3 46.2 107.9 22.7 49 -1.8 57 -2.4 0 0.0 0 0.0 9 44
54 A 71 ILE I H H X TS+ 0 0 -65.0 -47.4 179.9 47.6 113.7 18.9 50 -1.8 58 -2.4 0 0.0 0 0.0 11 49
55 A 72 LEU L H H < TS+ 0 0 -65.4 -27.0 -179.7 45.3 116.5 40.1 51 -2.3 0 0.0 0 0.0 0 0.0 13 51
56 A 73 ASN N H H < TS+ 0 0 -86.4 -35.4 -178.8 27.5 125.2 34.2 52 -1.9 0 0.0 0 0.0 0 0.0 8 38
57 A 74 ILE I H H < TS+ 0 0 -94.3 -44.6 -179.2 58.9 114.4 29.9 53 -2.4 59 -1.8 0 0.0 0 0.0 6 32
58 A 75 ALA A S h < TS+ 0 0 -86.6 64.8 -179.6 168.1 75.7 116.4 54 -2.4 0 0.0 0 0.0 0 0.0 9 40
59 A 76 ARG R + 0 0 -83.2 138.4 -178.8 162.1 1.8 127.5 57 -1.8 0 0.0 0 0.0 0 0.0 9 38
60 A 77 HIS H t > T - 0 0 -153.6 153.2 179.8 -110.2 50.5 171.1 0 0.0 63 -2.0 0 0.0 0 0.0 8 40
61 A 78 ARG R T T 3 TS+ 0 0 -54.2 -34.2 -179.0 43.5 119.8 38.3 0 0.0 0 0.0 0 0.0 0 0.0 7 37
62 A 79 ASN N T T 3 TS+ 0 0 -100.2 16.2 179.6 91.0 97.0 79.6 0 0.0 145 -2.8 0 0.0 0 0.0 12 50
63 A 80 ILE I B B a < TS- 145 0 -115.0 127.2 -179.9 -96.2 93.8 163.3 60 -2.0 0 0.0 0 0.0 0 0.0 11 57
64 A 81 LEU L - 0 0 -42.7 120.7 -178.2 -118.6 45.8 98.8 145 -2.4 66 -0.6 0 0.0 0 0.0 11 66
65 A 82 HIS H e - 0 0 -74.1 112.1 177.3 -153.0 19.3 125.1 0 0.0 81 -1.9 0 0.0 67 -0.8 9 45
66 A 83 LEU L E E AD - 80 0 -85.8 111.2 -179.7 -178.2 13.9 140.9 64 -0.6 0 0.0 0 0.0 0 0.0 11 49
67 A 84 HIS H E E A* - 0 0 -76.9 -44.6 -179.1 -17.3 62.5 27.3 79 -2.3 0 0.0 65 -0.8 0 0.0 8 41
68 A 85 GLU E E E AD - 79 0 -161.6 154.7 179.1 -152.2 55.3 169.5 79 -1.8 79 -3.3 0 0.0 0 0.0 7 42
69 A 86 SER S E E AD - 78 0 -135.2 144.5 179.3 -164.0 8.9 171.9 0 0.0 0 0.0 0 0.0 0 0.0 10 46
70 A 87 PHE F E E AD - 77 0 -124.4 161.5 -179.5 -166.0 5.8 148.9 77 -2.6 77 -1.6 0 0.0 0 0.0 9 40
71 A 88 GLU E E E AD + 76 0 -151.5 150.3 178.5 164.4 13.7 176.9 0 0.0 0 0.0 0 0.0 0 0.0 8 35
72 A 89 SER S E E AD > T - 75 0 -148.7 178.0 -179.4 -88.1 55.8 151.2 75 -1.1 75 -0.5 0 0.0 0 0.0 7 25
73 A 90 MET M T T 3 TS+ 0 0 -70.5 -13.8 -178.1 24.9 125.1 48.3 0 0.0 42 -0.6 0 0.0 0 0.0 6 24
74 A 91 GLU E T T 3 TS+ 0 0 -136.4 15.1 179.9 23.9 123.5 74.5 0 0.0 0 0.0 0 0.0 0 0.0 8 27
75 A 92 GLU E E E A D< T - 0 72 -176.9 149.5 179.5 -150.3 52.3 156.7 72 -0.5 72 -1.1 0 0.0 0 0.0 13 39
76 A 93 LEU L E E ACD - 38 71 -126.2 150.4 178.3 -152.2 9.0 156.4 38 -1.9 38 -3.1 0 0.0 0 0.0 14 48
77 A 94 VAL V E E ACD - 37 70 -128.3 120.8 -179.8 -165.1 5.8 169.8 70 -1.6 70 -2.6 0 0.0 79 -0.6 13 59
78 A 95 MET M E E ACD - 36 69 -108.0 116.1 -179.6 -161.1 5.8 158.1 36 -2.8 36 -2.9 0 0.0 80 -0.7 13 67
79 A 96 ILE I E E ACD + 35 68 -102.6 114.6 -178.3 177.6 16.7 152.3 68 -3.3 67 -2.3 77 -0.6 68 -1.8 12 60
80 A 97 PHE F E E ACD - 34 66 -110.1 169.3 176.5 -87.8 37.5 125.9 34 -3.1 34 -2.7 78 -0.7 0 0.0 13 62
81 A 98 GLU E e - 0 0 -68.3 155.5 -179.9 -104.5 53.6 113.0 65 -1.9 83 -0.7 0 0.0 0 0.0 11 53
82 A 99 PHE F - 0 0 -92.4 115.3 179.4 -168.7 37.0 142.4 0 0.0 0 0.0 0 0.0 0 0.0 9 55
83 A 100 ILE I + 0 0 -103.3 130.4 -178.3 178.7 10.8 153.2 81 -0.7 0 0.0 0 0.0 0 0.0 10 53
84 A 101 SER S + 0 0 -112.1 -1.5 -179.6 100.9 45.2 63.9 136 -2.4 0 0.0 0 0.0 0 0.0 11 45
85 A 102 GLY G - 0 0 -73.7 -172.2 180.0 -115.8 65.7 86.7 135 -1.1 295 -0.6 136 -0.8 0 0.0 14 45
86 A 103 LEU L - 0 0 -119.3 167.6 176.1 -97.8 29.5 135.6 0 0.0 135 -2.3 0 0.0 0 0.0 14 52
87 A 104 ASP D B h > B > T - 134 0 -81.9 156.4 -177.7 -101.6 47.0 126.2 0 0.0 91 -2.5 0 0.0 90 -0.9 13 61
88 A 105 ILE I H H > 3 TS+ 0 0 -48.9 -38.6 179.5 52.0 121.0 35.3 133 -0.5 92 -2.3 0 0.0 0 0.0 10 69
89 A 106 PHE F H H > 3 TS+ 0 0 -69.2 -35.3 178.5 46.1 111.4 31.6 0 0.0 93 -0.7 0 0.0 0 0.0 11 57
90 A 107 GLU E H H 4 < TS+ 0 0 -71.4 -40.8 -179.7 51.5 113.0 25.6 87 -0.9 0 0.0 0 0.0 0 0.0 8 53
91 A 108 ARG R H H < > TS+ 0 0 -63.8 -40.0 179.2 46.3 110.9 27.2 87 -2.5 94 -1.1 0 0.0 0 0.0 9 46
92 A 109 ILE I H H < 3 TS+ 0 0 -77.4 -13.5 178.6 68.4 101.3 49.9 88 -2.3 0 0.0 0 0.0 0 0.0 11 47
93 A 110 ASN N T h < 3 TS+ 0 0 -80.7 -4.4 178.5 72.6 93.6 61.4 89 -0.7 0 0.0 0 0.0 0 0.0 8 35
94 A 111 THR T S t < TS- 0 0 -93.0 -167.9 179.7 -127.2 84.5 100.5 91 -1.1 0 0.0 0 0.0 0 0.0 7 24
95 A 112 SER S S S S+ 0 0 -118.1 -19.1 -179.9 67.5 98.4 54.9 0 0.0 0 0.0 0 0.0 0 0.0 6 22
96 A 113 ALA A S S S+ 0 0 -73.2 -24.4 -179.2 67.4 95.6 40.8 0 0.0 0 0.0 0 0.0 0 0.0 4 21
97 A 114 PHE F - 0 0 -104.0 134.3 178.7 -163.5 65.7 146.6 0 0.0 0 0.0 0 0.0 0 0.0 7 35
98 A 115 GLU E - 0 0 -117.5 122.5 179.8 -134.5 17.5 165.3 0 0.0 0 0.0 0 0.0 0 0.0 8 38
99 A 116 LEU L + 0 0 -78.2 134.8 178.4 149.5 38.7 125.9 0 0.0 273 -3.0 0 0.0 0 0.0 11 45
100 A 117 ASN N h > T - 0 0 -152.5 171.3 -178.5 -94.9 59.8 157.3 0 0.0 104 -1.6 0 0.0 0 0.0 11 47
101 A 118 GLU E H H > TS+ 0 0 -65.1 -30.4 179.7 62.0 118.9 35.0 0 0.0 105 -3.0 0 0.0 0 0.0 13 52
102 A 119 ARG R H H > TS+ 0 0 -61.4 -43.6 179.1 46.7 105.6 24.1 269 -1.8 106 -2.2 0 0.0 0 0.0 11 40
103 A 120 GLU E H H > TS+ 0 0 -64.9 -40.6 179.9 49.9 112.9 26.9 0 0.0 107 -2.1 0 0.0 0 0.0 8 55
104 A 121 ILE I H H X TS+ 0 0 -65.4 -45.5 178.9 48.6 110.7 20.1 100 -1.6 108 -3.4 0 0.0 0 0.0 12 67
105 A 122 VAL V H H X TS+ 0 0 -59.8 -45.6 -179.9 49.8 111.6 22.4 101 -3.0 109 -3.0 0 0.0 0 0.0 12 57
106 A 123 SER S H H X TS+ 0 0 -58.5 -43.8 -179.9 43.5 115.7 25.6 102 -2.2 110 -1.2 0 0.0 0 0.0 10 50
107 A 124 TYR Y H H X TS+ 0 0 -66.5 -53.1 -179.0 44.7 117.0 16.9 103 -2.1 111 -1.7 0 0.0 0 0.0 11 62
108 A 125 VAL V H H X TS+ 0 0 -63.7 -36.2 -180.0 58.9 107.3 32.4 104 -3.4 112 -2.4 0 0.0 0 0.0 9 70
109 A 126 HIS H H H X TS+ 0 0 -61.6 -40.3 -180.0 47.0 107.7 26.6 105 -3.0 113 -1.5 0 0.0 0 0.0 10 57
110 A 127 GLN Q H H X TS+ 0 0 -68.5 -41.5 179.2 51.6 110.3 26.8 106 -1.2 114 -2.1 0 0.0 0 0.0 11 52
111 A 128 VAL V H H X TS+ 0 0 -62.2 -40.2 179.3 52.0 109.2 25.6 107 -1.7 115 -2.4 0 0.0 0 0.0 11 66
112 A 129 CYS C H H X TS+ 0 0 -65.4 -35.0 178.4 52.5 106.8 32.0 108 -2.4 116 -2.4 0 0.0 0 0.0 12 62
113 A 130 GLU E H H X TS+ 0 0 -66.3 -42.8 179.0 48.6 110.0 24.0 109 -1.5 117 -2.2 0 0.0 0 0.0 11 47
114 A 131 ALA A H H X TS+ 0 0 -62.1 -43.4 179.4 47.4 113.6 22.4 110 -2.1 118 -2.9 0 0.0 0 0.0 12 57
115 A 132 LEU L H H X TS+ 0 0 -66.3 -39.0 179.0 53.3 108.4 30.4 111 -2.4 119 -2.9 0 0.0 0 0.0 11 63
116 A 133 GLN Q H H X TS+ 0 0 -60.7 -44.2 179.3 45.4 113.7 18.5 112 -2.4 120 -1.7 0 0.0 0 0.0 11 46
117 A 134 PHE F H H X TS+ 0 0 -63.4 -52.9 179.9 45.6 114.6 19.8 113 -2.2 121 -0.7 0 0.0 0 0.0 9 43
118 A 135 LEU L H H < >>TS+ 0 0 -59.0 -42.3 -179.8 50.3 113.9 23.2 114 -2.9 123 -2.6 0 0.0 121 -1.0 12 51
119 A 136 HIS H H H < >5TS+ 0 0 -68.6 -29.1 178.3 60.7 101.1 36.8 115 -2.9 122 -1.7 0 0.0 0 0.0 11 46
120 A 137 SER S H H < 35TS+ 0 0 -70.1 -17.3 178.9 49.5 106.7 45.5 116 -1.7 0 0.0 0 0.0 0 0.0 7 33
121 A 138 HIS H T h < <5TS- 0 0 -102.4 12.6 179.8 -111.3 121.8 80.3 118 -1.0 0 0.0 117 -0.7 0 0.0 8 33
122 A 139 ASN N T e <5T + 0 0 61.4 30.9 179.6 150.2 68.6 37.5 119 -1.7 154 -2.7 0 0.0 124 -0.5 9 39
123 A 140 ILE I E E BE T - 0 0 -136.7 156.9 -179.9 -110.0 67.6 164.5 127 -1.5 132 -1.6 0 0.0 0 0.0 10 67
130 A 147 PRO P G G > TS+ 0 0 -55.1 -39.9 -178.9 56.7 115.3 33.1 0 0.0 133 -1.4 0 0.0 0 0.0 9 75
131 A 148 GLU E G G 3 TS+ 0 0 -71.5 -10.4 -179.2 57.4 102.2 50.2 0 0.0 0 0.0 0 0.0 0 0.0 7 66
132 A 149 ASN N G e < TS+ 0 0 -103.1 11.6 -179.2 77.9 92.8 75.2 129 -1.6 146 -2.7 0 0.0 147 -0.7 11 66
133 A 150 ILE I E E CF < T - 145 0 -127.0 116.9 -177.6 -179.8 59.0 167.3 130 -1.4 88 -0.5 0 0.0 0 0.0 13 67
134 A 151 ILE I E E CFB - 144 87 -119.6 142.7 177.8 -117.3 29.1 156.7 144 -2.6 144 -2.4 0 0.0 0 0.0 16 58
135 A 152 TYR Y E E CF - 143 0 -74.0 144.2 -178.2 -122.3 28.1 122.3 86 -2.3 85 -1.1 0 0.0 0 0.0 16 49
136 A 153 GLN Q S e S- 0 0 -53.4 -50.8 178.4 -4.6 87.9 24.7 142 -2.7 84 -2.4 0 0.0 85 -0.8 12 42
137 A 154 THR T S S S- 0 0 -133.0 179.9 179.5 -94.1 83.3 139.6 0 0.0 0 0.0 0 0.0 0 0.0 9 34
138 A 155 ARG R S S S+ 0 0 -75.8 -6.7 -179.4 35.2 126.7 55.5 0 0.0 0 0.0 0 0.0 0 0.0 8 32
139 A 156 ARG R S S S+ 0 0 -116.8 -22.0 -178.1 100.7 97.8 54.0 0 0.0 0 0.0 0 0.0 0 0.0 5 27
140 A 157 SER S - 0 0 -71.8 152.0 178.3 -156.4 55.0 105.4 0 0.0 0 0.0 0 0.0 0 0.0 8 30
141 A 158 SER S + 0 0 -100.2 -10.2 179.6 108.4 65.4 60.9 0 0.0 0 0.0 0 0.0 0 0.0 8 40
142 A 159 THR T e - 0 0 -71.8 133.2 -179.5 -153.5 58.1 119.5 0 0.0 136 -2.7 0 0.0 0 0.0 9 43
143 A 160 ILE I E E CF - 135 0 -109.9 156.0 179.0 -156.2 8.0 140.2 0 0.0 0 0.0 0 0.0 0 0.0 12 51
144 A 161 LYS K E E CF - 134 0 -133.4 124.2 177.3 -139.3 14.6 174.8 134 -2.4 134 -2.6 0 0.0 146 -0.6 12 60
145 A 162 ILE I E E CFa - 133 63 -80.3 122.2 -177.1 -179.8 24.6 139.8 62 -2.8 64 -2.4 0 0.0 0 0.0 11 68
146 A 163 ILE I e + 0 0 -105.4 -5.3 -178.8 81.0 49.9 61.0 132 -2.7 148 -0.5 144 -0.6 0 0.0 11 68
147 A 164 GLU E + 0 0 -111.5 126.7 -179.7 145.5 31.5 155.6 132 -0.7 0 0.0 0 0.0 0 0.0 10 66
148 A 165 PHE F t > T + 0 0 -141.0 22.9 -178.9 120.6 32.2 85.0 146 -0.5 151 -0.7 0 0.0 0 0.0 12 62
149 A 166 GLY G T T 3 TS+ 0 0 -67.9 -14.2 179.5 31.9 86.7 54.6 0 0.0 0 0.0 0 0.0 0 0.0 10 58
150 A 167 GLN Q T T 3 TS+ 0 0 -121.7 1.7 -179.4 121.8 90.1 70.1 0 0.0 0 0.0 0 0.0 0 0.0 11 65
151 A 168 ALA A t < T + 0 0 -69.0 142.6 -179.5 152.0 32.8 111.8 148 -0.7 0 0.0 0 0.0 0 0.0 12 65
152 A 169 ARG R E E BE - 124 0 -168.6 150.7 176.7 -96.9 50.4 163.6 124 -2.0 124 -2.9 0 0.0 0 0.0 9 53
153 A 170 GLN Q E E BE - 123 0 -71.5 135.3 -178.1 -116.9 47.6 125.3 0 0.0 155 -1.5 0 0.0 0 0.0 8 49
154 A 171 LEU L e - 0 0 -81.5 88.6 179.6 -170.3 34.6 126.3 122 -2.7 0 0.0 0 0.0 0 0.0 10 39
155 A 172 LYS K t > T - 0 0 -81.8 126.2 180.0 -103.9 33.0 132.5 153 -1.5 158 -2.1 0 0.0 0 0.0 6 29
156 A 173 PRO P T T 3 TS+ 0 0 -50.8 130.2 179.6 16.8 104.1 101.8 0 0.0 0 0.0 0 0.0 0 0.0 8 23
157 A 174 GLY G T T 3 TS+ 0 0 86.0 -2.7 179.9 148.5 88.9 65.8 318 -1.8 0 0.0 0 0.0 0 0.0 9 22
158 A 175 ASP D e < T - 0 0 -68.7 138.6 178.1 -160.1 31.5 114.8 155 -2.1 318 -2.0 0 0.0 0 0.0 10 29
159 A 176 ASN N E E DG + 317 0 -120.4 127.2 -179.8 148.3 25.8 170.9 0 0.0 0 0.0 0 0.0 0 0.0 8 31
160 A 177 PHE F E E DG - 316 0 -152.4 170.3 -179.8 -105.6 41.0 161.0 316 -2.2 316 -3.1 0 0.0 0 0.0 7 38
161 A 178 ARG R E E DG - 315 0 -105.1 143.9 177.0 -158.7 18.7 145.0 0 0.0 0 0.0 0 0.0 0 0.0 8 44
162 A 179 LEU L E E DG - 314 0 -120.1 129.6 -178.5 -154.3 13.1 168.8 314 -2.2 314 -2.2 0 0.0 0 0.0 11 57
163 A 180 LEU L E E DG + 313 0 -107.1 145.9 -179.1 156.8 22.1 147.9 0 0.0 0 0.0 0 0.0 0 0.0 8 49
164 A 181 PHE F E E DG - 312 0 -163.1 161.4 177.8 -170.0 38.1 174.0 312 -2.1 312 -3.0 0 0.0 0 0.0 8 55
165 A 182 THR T S S S+ 0 0 -126.6 -21.9 178.4 60.8 89.0 62.4 0 0.0 0 0.0 0 0.0 0 0.0 7 46
166 A 183 ALA A g > T - 0 0 -112.3 91.9 -179.5 -174.9 65.3 147.5 0 0.0 169 -1.4 0 0.0 0 0.0 7 54
167 A 184 PRO P G G > TS+ 0 0 -56.9 -32.4 -178.4 74.6 71.6 39.4 0 0.0 170 -2.0 0 0.0 0 0.0 8 60
168 A 185 GLU E G G 3 TS+ 0 0 -57.3 -25.7 179.9 56.1 91.4 42.3 0 0.0 0 0.0 0 0.0 0 0.0 13 70
169 A 186 TYR Y G G < TS+ 0 0 -83.5 -10.0 -179.4 83.1 93.6 55.2 166 -1.4 171 -0.6 0 0.0 0 0.0 12 71
170 A 187 TYR Y S g < TS- 0 0 -104.3 120.5 -177.9 -122.7 82.3 151.1 167 -2.0 0 0.0 0 0.0 0 0.0 12 72
171 A 188 ALA A h > > T - 0 0 -53.5 161.6 179.8 -100.4 27.0 86.7 169 -0.6 175 -1.6 0 0.0 174 -1.5 13 69
172 A 189 PRO P H H > 3 TS+ 0 0 -51.9 -41.9 -179.8 58.3 122.5 29.3 0 0.0 176 -2.2 0 0.0 0 0.0 11 56
173 A 190 GLU E H H 4 3>TS+ 0 0 -61.9 -27.2 179.6 53.7 103.3 39.5 0 0.0 178 -3.0 0 0.0 0 0.0 12 52
174 A 191 VAL V H H 4 X5TS+ 0 0 -72.5 -50.5 179.5 42.5 111.6 17.3 171 -1.5 177 -1.7 0 0.0 0 0.0 14 55
175 A 192 HIS H H H < 35TS+ 0 0 -65.7 -28.5 178.8 56.2 111.9 35.1 171 -1.6 0 0.0 0 0.0 0 0.0 11 48
176 A 193 GLN Q T h < 35TS- 0 0 -81.2 -0.4 -178.2 -126.6 109.8 63.2 172 -2.2 0 0.0 0 0.0 0 0.0 7 40
177 A 194 HIS H T T <5TS+ 0 0 52.8 48.3 -178.2 117.9 71.0 22.9 174 -1.7 0 0.0 0 0.0 0 0.0 10 35
178 A 195 ASP D e > T - 0 0 -159.3 -175.9 178.7 -70.2 61.0 153.1 0 0.0 184 -2.5 0 0.0 185 -0.5 11 63
182 A 199 THR T H H > > TS+ 0 0 -58.2 -24.1 179.1 69.5 126.6 38.0 0 0.0 185 -0.9 0 0.0 186 -0.9 12 64
183 A 200 ALA A H H > 3 TS+ 0 0 -67.3 -16.3 178.9 69.8 84.2 51.8 0 0.0 187 -1.1 0 0.0 0 0.0 12 60
184 A 201 THR T H H > < TS+ 0 0 -69.8 -34.6 179.0 51.8 96.5 28.1 181 -2.5 188 -1.7 0 0.0 0 0.0 14 69
185 A 202 ASP D H H X < TS+ 0 0 -68.4 -35.8 -179.3 59.2 102.7 32.8 182 -0.9 189 -2.2 181 -0.5 0 0.0 14 74
186 A 203 MET M H H X TS+ 0 0 -63.1 -34.5 177.9 51.0 103.4 31.5 182 -0.9 190 -2.0 0 0.0 0 0.0 13 65
187 A 204 TRP W H H X TS+ 0 0 -65.1 -48.3 179.9 53.5 107.8 15.9 183 -1.1 191 -2.2 0 0.0 0 0.0 15 68
188 A 205 SER S H H X TS+ 0 0 -51.7 -42.9 178.7 49.8 108.7 26.7 184 -1.7 192 -2.2 0 0.0 0 0.0 16 73
189 A 206 LEU L H H X TS+ 0 0 -64.5 -41.0 179.8 56.8 105.7 28.3 185 -2.2 193 -2.8 0 0.0 0 0.0 12 74
190 A 207 GLY G H H X TS+ 0 0 -56.7 -46.8 179.7 44.9 109.3 21.4 186 -2.0 194 -2.3 0 0.0 0 0.0 14 72
191 A 208 THR T H H X TS+ 0 0 -64.1 -42.6 -179.9 52.9 111.9 24.2 187 -2.2 195 -2.6 0 0.0 0 0.0 14 67
192 A 209 LEU L H H X TS+ 0 0 -59.9 -45.4 -180.0 46.7 110.6 23.4 188 -2.2 196 -2.1 0 0.0 0 0.0 12 69
193 A 210 VAL V H H X TS+ 0 0 -64.1 -43.4 179.3 52.9 110.6 23.2 189 -2.8 197 -2.6 0 0.0 0 0.0 11 74
194 A 211 TYR Y H H X >TS+ 0 0 -57.8 -49.3 -179.5 44.3 112.3 19.1 190 -2.3 198 -2.5 0 0.0 199 -0.5 13 69
195 A 212 VAL V H H X 5TS+ 0 0 -66.8 -33.1 178.6 51.7 112.9 32.2 191 -2.6 199 -1.5 0 0.0 0 0.0 12 69
196 A 213 LEU L H H < 5TS+ 0 0 -69.0 -39.7 -179.8 43.8 114.2 25.2 192 -2.1 0 0.0 0 0.0 0 0.0 9 65
197 A 214 LEU L H H < 5TS+ 0 0 -73.2 -36.9 -177.7 10.9 136.1 30.7 193 -2.6 0 0.0 0 0.0 0 0.0 12 62
198 A 215 SER S H H < 5TS- 0 0 -115.3 -29.0 -177.9 -129.5 84.0 44.2 194 -2.5 0 0.0 0 0.0 0 0.0 11 53
199 A 216 GLY G S h < T - 0 0 -72.6 115.1 -179.5 -148.1 23.9 131.1 0 0.0 204 -1.7 0 0.0 0 0.0 10 60
202 A 219 PRO P T T 3 TS+ 0 0 -60.0 -22.0 -178.6 43.0 94.1 45.4 0 0.0 0 0.0 0 0.0 0 0.0 11 59
203 A 220 PHE F T T 3 TS+ 0 0 -112.4 19.9 -179.3 150.0 82.6 81.7 0 0.0 0 0.0 0 0.0 0 0.0 11 49
204 A 221 LEU L t < T + 0 0 -56.9 142.3 179.6 155.6 11.7 99.4 201 -1.7 0 0.0 0 0.0 0 0.0 8 42
205 A 222 ALA A - 0 0 -156.5 170.9 -179.4 -100.9 54.0 158.8 0 0.0 0 0.0 0 0.0 0 0.0 7 27
206 A 223 GLU E S S S+ 0 0 -71.7 -33.6 179.5 41.9 105.5 34.4 0 0.0 0 0.0 0 0.0 0 0.0 6 18
207 A 224 THR T S h > > TS- 0 0 -116.7 147.2 179.6 -129.4 78.4 155.3 0 0.0 211 -1.8 0 0.0 210 -0.5 6 17
208 A 225 ASN N H H > 3 TS+ 0 0 -57.9 -43.3 -179.9 55.5 110.7 24.4 0 0.0 212 -2.6 0 0.0 0 0.0 7 28
209 A 226 GLN Q H H > 3 TS+ 0 0 -60.5 -30.8 179.4 50.2 107.5 33.4 0 0.0 213 -1.8 0 0.0 0 0.0 6 25
210 A 227 GLN Q H H > < TS+ 0 0 -75.3 -34.3 178.2 53.0 107.5 31.9 207 -0.5 214 -2.3 0 0.0 0 0.0 9 25
211 A 228 ILE I H H X TS+ 0 0 -64.5 -43.0 179.3 50.2 109.2 21.1 207 -1.8 215 -2.4 0 0.0 0 0.0 14 36
212 A 229 ILE I H H X TS+ 0 0 -62.0 -41.5 179.4 50.6 109.5 26.2 208 -2.6 216 -2.9 0 0.0 0 0.0 12 39
213 A 230 GLU E H H X TS+ 0 0 -64.0 -41.5 178.7 51.0 109.2 24.7 209 -1.8 217 -1.5 0 0.0 0 0.0 8 32
214 A 231 ASN N H H X >TS+ 0 0 -60.9 -44.0 179.1 47.7 112.2 22.1 210 -2.3 219 -2.9 0 0.0 218 -0.6 12 37
215 A 232 ILE I H H < >5TS+ 0 0 -62.1 -49.8 -179.5 51.1 109.9 18.8 211 -2.4 218 -1.4 0 0.0 0 0.0 12 47
216 A 233 MET M H H < 35TS+ 0 0 -60.9 -25.1 178.8 42.5 116.0 40.6 212 -2.9 0 0.0 0 0.0 0 0.0 13 41
217 A 234 ASN N H H < 35TS- 0 0 -96.5 -6.4 -178.3 -129.1 106.3 61.6 213 -1.5 0 0.0 0 0.0 0 0.0 8 34
218 A 235 ALA A T h < <5T + 0 0 56.5 36.8 -178.2 169.5 49.4 30.2 215 -1.4 220 -0.8 214 -0.6 0 0.0 10 47
219 A 236 GLU E t T - 0 0 -52.9 112.2 -178.1 -142.0 22.7 111.2 221 -0.8 227 -2.8 0 0.0 0 0.0 7 36
224 A 241 GLU E H H > TS+ 0 0 -44.6 -56.2 -179.0 39.7 94.6 29.3 0 0.0 228 -1.5 0 0.0 0 0.0 6 24
225 A 242 GLU E H H 4 TS+ 0 0 -66.0 -43.8 -179.8 47.6 117.4 25.0 0 0.0 0 0.0 0 0.0 0 0.0 6 25
226 A 243 ALA A H H 4 TS+ 0 0 -67.6 -32.0 -178.6 37.6 121.4 32.6 0 0.0 0 0.0 0 0.0 0 0.0 10 36
227 A 244 PHE F H H < > TS+ 0 0 -98.5 -7.4 -178.9 94.5 86.3 55.4 223 -2.8 230 -1.8 0 0.0 0 0.0 11 40
228 A 245 LYS K T h < 3 TS+ 0 0 -56.3 -26.8 179.5 37.1 97.2 40.3 224 -1.5 0 0.0 0 0.0 0 0.0 6 27
229 A 246 GLU E T T 3 TS+ 0 0 -104.3 0.0 -179.9 100.9 98.0 67.2 0 0.0 0 0.0 0 0.0 0 0.0 6 31
230 A 247 ILE I S t < TS- 0 0 -87.2 143.4 -179.1 -103.4 81.3 130.3 227 -1.8 0 0.0 0 0.0 0 0.0 10 43
231 A 248 SER S h > > T - 0 0 -66.7 148.3 179.9 -125.6 19.1 109.7 0 0.0 235 -1.6 0 0.0 234 -0.5 7 42
232 A 249 ILE I H H > 3 TS+ 0 0 -63.3 -28.9 179.0 59.0 110.5 36.1 0 0.0 236 -2.3 0 0.0 0 0.0 6 33
233 A 250 GLU E H H > 3 TS+ 0 0 -68.2 -37.9 179.0 52.4 102.4 31.6 0 0.0 237 -2.0 0 0.0 0 0.0 8 41
234 A 251 ALA A H H > < TS+ 0 0 -63.2 -43.8 179.4 45.6 112.3 22.9 231 -0.5 238 -2.2 0 0.0 0 0.0 9 57
235 A 252 MET M H H X TS+ 0 0 -66.4 -40.8 179.1 51.2 111.4 27.5 231 -1.6 239 -2.8 0 0.0 0 0.0 10 48
236 A 253 ASP D H H X TS+ 0 0 -64.1 -35.1 179.3 54.1 108.6 29.7 232 -2.3 240 -1.1 0 0.0 0 0.0 8 40
237 A 254 PHE F H H < > TS+ 0 0 -62.8 -51.5 179.6 42.4 111.8 17.8 233 -2.0 240 -0.6 0 0.0 0 0.0 12 51
238 A 255 VAL V H H X > TS+ 0 0 -62.2 -43.2 -179.4 59.4 109.0 25.1 234 -2.2 242 -2.6 0 0.0 241 -2.0 12 63
239 A 256 ASP D H H < 3 TS+ 0 0 -58.2 -29.1 -179.9 51.9 103.7 40.3 235 -2.8 0 0.0 0 0.0 0 0.0 9 49
240 A 257 ARG R T h < < TS+ 0 0 -90.1 1.9 179.0 42.6 114.4 66.0 236 -1.1 250 -2.5 237 -0.6 0 0.0 11 47
241 A 258 LEU L T T 4 < TS+ 0 0 -111.2 -42.8 179.5 66.4 99.9 43.8 238 -2.0 243 -2.2 0 0.0 0 0.0 12 61
242 A 259 LEU L S t < TS+ 0 0 -81.7 65.3 179.8 134.1 74.7 116.5 238 -2.6 0 0.0 0 0.0 0 0.0 11 55
243 A 260 VAL V - 0 0 -119.5 134.9 -179.0 -138.0 57.3 164.3 241 -2.2 0 0.0 0 0.0 0 0.0 11 51
244 A 261 LYS K S S S+ 0 0 -54.2 -54.2 -179.2 71.1 87.3 20.3 0 0.0 0 0.0 0 0.0 0 0.0 10 48
245 A 262 GLU E S g > > TS- 0 0 -72.2 124.1 -179.6 -146.8 74.8 121.5 0 0.0 248 -1.1 0 0.0 249 -0.5 6 36
246 A 263 ARG R G G 4 > TS+ 0 0 -54.8 -48.7 -178.5 53.6 97.4 24.8 0 0.0 249 -1.3 0 0.0 0 0.0 9 44
247 A 264 LYS K G G 4 3 TS+ 0 0 -64.6 -15.9 -178.7 57.5 104.2 51.0 0 0.0 0 0.0 0 0.0 0 0.0 5 30
248 A 265 SER S G G 4 < TS+ 0 0 -94.9 -7.9 179.7 88.3 87.7 57.6 245 -1.1 0 0.0 0 0.0 0 0.0 8 32
249 A 266 ARG R S g < < TS- 0 0 -92.6 150.4 -179.2 -91.3 88.7 129.1 246 -1.3 0 0.0 245 -0.5 0 0.0 13 41
250 A 267 MET M - 0 0 -56.4 147.4 176.3 -131.4 34.8 101.1 240 -2.5 0 0.0 0 0.0 0 0.0 11 48
251 A 268 THR T h > T - 0 0 -90.7 167.6 179.7 -103.1 31.0 122.5 0 0.0 255 -2.7 0 0.0 0 0.0 10 50
252 A 269 ALA A H H > TS+ 0 0 -59.2 -40.9 179.5 51.3 124.2 25.1 0 0.0 256 -1.9 0 0.0 0 0.0 12 52
253 A 270 SER S H H > TS+ 0 0 -62.9 -44.0 179.0 47.1 110.6 23.7 0 0.0 257 -0.8 0 0.0 0 0.0 9 38
254 A 271 GLU E H H > > TS+ 0 0 -63.3 -41.5 179.8 56.4 108.8 24.1 0 0.0 257 -1.0 0 0.0 258 -0.8 8 43
255 A 272 ALA A H H < > TS+ 0 0 -58.1 -40.7 179.5 53.9 103.0 29.5 251 -2.7 258 -0.8 0 0.0 0 0.0 11 51
256 A 273 LEU L H H < 3 TS+ 0 0 -68.1 -20.2 179.6 48.3 110.1 44.4 252 -1.9 0 0.0 0 0.0 0 0.0 11 43
257 A 274 GLN Q H H < < TS+ 0 0 -95.0 -10.2 -180.0 111.8 85.7 57.5 254 -1.0 0 0.0 253 -0.8 0 0.0 8 32
258 A 275 HIS H S h X X TS- 0 0 -64.4 139.4 -179.8 -117.3 80.9 115.1 254 -0.8 262 -3.0 255 -0.8 261 -1.3 9 40
259 A 276 PRO P H H > 3 TS+ 0 0 -49.1 -34.3 179.8 64.6 110.4 39.4 0 0.0 263 -2.2 0 0.0 0 0.0 7 35
260 A 277 TRP W H H 4 3 TS+ 0 0 -57.9 -44.4 -179.9 21.3 120.0 25.0 0 0.0 0 0.0 0 0.0 0 0.0 9 48
261 A 278 LEU L H H 4 < TS+ 0 0 -94.2 -29.4 -178.8 57.2 123.3 42.3 258 -1.3 0 0.0 0 0.0 0 0.0 12 46
262 A 279 LYS K H H < TS+ 0 0 -73.2 -32.1 -179.8 94.4 85.6 38.1 258 -3.0 0 0.0 0 0.0 0 0.0 8 32
263 A 280 GLN Q S h < TS- 0 0 -59.8 155.5 179.7 -80.3 98.3 101.8 259 -2.2 0 0.0 0 0.0 0 0.0 8 29
264 A 281 LYS K g > T - 0 0 -58.6 131.2 -179.2 -124.8 40.0 111.5 0 0.0 267 -2.5 0 0.0 0 0.0 7 22
265 A 282 ILE I G G > TS+ 0 0 -52.3 -22.4 179.4 63.4 110.8 44.3 0 0.0 268 -0.9 0 0.0 0 0.0 9 30
266 A 283 GLU E G G 3 TS+ 0 0 -74.3 -25.0 179.5 65.5 90.2 42.3 0 0.0 0 0.0 0 0.0 0 0.0 6 21
267 A 284 ARG R G G < TS+ 0 0 -72.1 -9.9 -178.4 101.9 83.8 57.0 264 -2.5 0 0.0 0 0.0 0 0.0 6 25
268 A 285 VAL V S g < TS- 0 0 -84.1 135.6 -178.9 -109.4 80.1 129.9 265 -0.9 0 0.0 0 0.0 0 0.0 10 34
269 A 286 SER S - 0 0 -64.2 143.1 178.2 -164.5 18.0 104.5 0 0.0 102 -1.8 0 0.0 0 0.0 8 32
270 A 287 THR T + 0 0 -108.4 10.8 179.4 138.9 43.2 78.7 0 0.0 0 0.0 0 0.0 0 0.0 7 27
271 A 288 LYS K - 0 0 -59.2 129.8 -178.8 -105.8 63.4 111.7 0 0.0 0 0.0 0 0.0 0 0.0 6 28
272 A 289 VAL V - 0 0 -64.3 133.7 178.8 -146.3 30.0 111.6 0 0.0 0 0.0 0 0.0 0 0.0 7 34
273 A 290 ILE I - 0 0 -102.1 134.4 179.9 -113.1 22.3 150.6 99 -3.0 0 0.0 0 0.0 0 0.0 9 45
274 A 291 ARG R - 0 0 -67.7 137.1 -177.4 -169.9 26.9 116.8 0 0.0 0 0.0 0 0.0 0 0.0 6 41
275 A 292 THR T h > T + 0 0 -113.5 8.0 -179.4 104.2 54.9 68.8 0 0.0 279 -2.1 0 0.0 0 0.0 10 41
276 A 293 LEU L H H > TS+ 0 0 -56.6 -42.4 -180.0 41.4 90.9 27.3 0 0.0 280 -1.2 0 0.0 0 0.0 7 32
277 A 294 LYS K H H > TS+ 0 0 -76.0 -28.5 179.6 61.7 108.1 34.4 0 0.0 281 -2.7 0 0.0 0 0.0 10 33
278 A 295 HIS H H H > TS+ 0 0 -62.9 -42.0 179.6 51.2 102.5 25.0 0 0.0 282 -2.6 0 0.0 0 0.0 13 48
279 A 296 ARG R H H X TS+ 0 0 -61.4 -44.3 -180.0 46.9 111.8 24.6 275 -2.1 283 -1.5 0 0.0 0 0.0 11 36
280 A 297 ARG R H H X TS+ 0 0 -64.3 -46.3 179.8 49.5 112.1 22.1 276 -1.2 284 -1.2 0 0.0 0 0.0 9 28
281 A 298 TYR Y H H X > TS+ 0 0 -58.5 -46.3 -179.9 54.8 107.9 21.9 277 -2.7 285 -2.0 0 0.0 284 -0.7 11 44
282 A 299 TYR Y H H X 3>TS+ 0 0 -56.6 -37.5 179.8 58.3 101.9 32.7 278 -2.6 286 -2.9 0 0.0 287 -0.6 10 46
283 A 300 HIS H H H X 35TS+ 0 0 -62.9 -35.0 -179.8 40.5 111.4 31.7 279 -1.5 287 -0.8 0 0.0 0 0.0 9 30
284 A 301 THR T H H < <5TS+ 0 0 -83.7 -27.2 -178.7 50.0 117.7 40.1 280 -1.2 0 0.0 281 -0.7 0 0.0 7 38
285 A 302 LEU L H H < 5TS+ 0 0 -79.1 -46.7 -178.1 18.7 125.4 23.5 281 -2.0 0 0.0 0 0.0 0 0.0 7 45
286 A 303 ILE I H H < 5TS- 0 0 -100.2 -27.1 -179.1 -147.3 77.9 39.7 282 -2.9 0 0.0 0 0.0 0 0.0 7 46
287 A 304 LYS K h < TS- 0 0 -128.7 146.6 -178.6 -118.4 84.8 164.3 0 0.0 297 -1.5 0 0.0 0 0.0 10 50
295 A 312 SER S G G > TS+ 0 0 -51.2 -48.5 -179.3 57.6 110.8 26.0 85 -0.6 298 -2.0 0 0.0 0 0.0 11 57
296 A 313 ALA A G G > TS+ 0 0 -59.0 -18.8 -179.8 81.1 86.5 46.1 0 0.0 299 -1.6 0 0.0 0 0.0 12 66
297 A 314 ALA A G G X T + 0 0 -63.6 -14.5 179.4 83.4 69.3 47.6 294 -1.5 300 -2.0 0 0.0 0 0.0 13 61
298 A 315 ARG R G G X T + 0 0 -70.0 0.8 175.9 90.0 61.1 60.2 295 -2.0 301 -1.9 0 0.0 0 0.0 13 63
299 A 316 ILE I G G X TS+ 0 0 -64.4 -18.5 178.6 75.2 73.0 40.4 296 -1.6 302 -1.3 0 0.0 0 0.0 12 71
300 A 317 SER S G G < TS+ 0 0 -62.4 -24.3 180.0 41.9 98.7 41.9 297 -2.0 0 0.0 0 0.0 0 0.0 16 54
301 A 318 CYS C G G < TS+ 0 0 -103.2 0.9 179.3 63.8 114.1 68.2 298 -1.9 0 0.0 0 0.0 0 0.0 12 54
302 A 319 GLY G g < T + 0 0 -109.3 -164.6 -179.5 86.6 60.0 108.0 299 -1.3 0 0.0 0 0.0 0 0.0 12 65
303 A 320 GLY G S S S- 0 0 102.9 -177.7 -179.1 -51.7 92.3 118.7 0 0.0 0 0.0 0 0.0 0 0.0 13 66
304 A 321 ALA A S S S+ 0 0 -63.6 -44.6 -179.8 47.8 126.6 23.9 0 0.0 306 -0.5 0 0.0 0 0.0 10 53
305 A 322 ILE I S S S+ 0 0 -104.3 123.1 179.3 140.8 76.8 151.5 0 0.0 0 0.0 0 0.0 0 0.0 11 50
306 A 323 ARG R - 0 0 -154.2 168.6 -178.3 -62.0 53.7 163.8 304 -0.5 0 0.0 0 0.0 0 0.0 10 43
307 A 324 SER S - 0 0 -57.7 134.7 179.7 -168.7 31.7 105.7 0 0.0 0 0.0 0 0.0 0 0.0 7 32
308 A 325 GLN Q t > T + 0 0 -106.5 4.5 179.9 128.6 42.6 70.6 0 0.0 311 -1.8 0 0.0 0 0.0 5 25
309 A 326 LYS K T T 3 TS- 0 0 -66.7 117.8 179.4 -3.8 88.3 117.9 0 0.0 0 0.0 0 0.0 0 0.0 4 18
310 A 327 GLY G T T 3 TS+ 0 0 74.7 18.1 -179.7 133.7 102.6 48.2 0 0.0 0 0.0 0 0.0 0 0.0 5 20
311 A 328 VAL V t < T - 0 0 -105.3 136.8 179.1 -132.1 51.5 146.5 308 -1.8 0 0.0 0 0.0 0 0.0 8 29
312 A 329 SER S E E DG - 164 0 -84.7 149.0 -178.9 -144.7 17.7 126.9 164 -3.0 164 -2.1 0 0.0 0 0.0 7 33
313 A 330 VAL V E E DG - 163 0 -118.9 137.7 179.1 -172.0 12.8 159.0 0 0.0 0 0.0 0 0.0 0 0.0 8 36
314 A 331 ALA A E E DG - 162 0 -133.2 112.0 179.1 -146.6 15.5 163.9 162 -2.2 162 -2.2 0 0.0 316 -0.6 10 38
315 A 332 LYS K E E DG + 161 0 -78.0 115.6 -179.8 171.4 32.2 134.9 0 0.0 0 0.0 0 0.0 0 0.0 11 32
316 A 333 VAL V E E DG - 160 0 -121.6 173.2 -178.4 -148.3 18.7 136.2 160 -3.1 160 -2.2 314 -0.6 0 0.0 14 43
317 A 334 LYS K E E DGh - 159 179 -139.9 161.9 177.4 -125.7 14.8 158.2 178 -2.4 180 -2.9 0 0.0 0 0.0 12 40
318 A 335 VAL V E E D h - 0 180 -110.3 131.4 -179.5 -99.0 45.2 159.7 158 -2.0 157 -1.8 0 0.0 0 0.0 13 39
319 A 336 ALA A e - 0 0 -48.8 138.7 179.5 -124.6 38.5 99.6 180 -0.6 0 0.0 0 0.0 0 0.0 10 29
320 A 337 SER S 0 0 -86.0 154.8 178.9 999.9 999.9 119.7 0 0.0 0 0.0 0 0.0 0 0.0 6 18
321 A 338 ILE I 0 0 -91.3 999.9 999.9 999.9 999.9 68.3 0 0.0 0 0.0 0 0.0 0 0.0 4 13
1tkiA.pdb
1TKI SERINE KINASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TTTEEEEEEEEE SSEEEEEEEETTTTEEEEEEEE THHHHHHHHHHHHHHHS TTB EEEEEEETTEEEEEE BHHHHHTSSS Kabs/Sand
chirality +++++--------+-++--+-----++-+-+------+--++++++++++++++++++-++--------+-++----+---++---++++++-++--+- chirality
bends SS SS SSS SSSSSSSSSSSSSSSSS SSS SS SSSSSSSSS bends
turns TTTTT TTTTTT TTTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTTT T turns
5-turns >5555< 5-turns
3-turns >33< >>><<< >33< >33< >33<>33< 3-turns
bridge-2 BBBBBBBB CCCCC DDDDDD bridge-2
bridge-1 AAA**A*AA AAA*AAA BBBBBBBB a D*DDDDD CCCCC B bridge-1
sheets AAAAAAAAA AAAAAAAA AAAAAAAA AAAAAAA AAAAAA sheets
4-turns >444< >444< >>>>XXXXXXXXX<<<< >>>4<<< > 4-turns
summary tTTeEEEEEEEEEeSeEEEEEEEEeTTTEEEEEEEEe thHHHHHHHHHHHHHHHh tTTB eEEEEEEETTEEEEEEe hHHHHHhtSS h summary
sequence KELYEKYMIAEDLGRGEFGIVHRCVETSSKKTYMAKFVKVKGTDQVLVKKEISILNIARHRNILHLHESFESMEELVMIFEFISGLDIFERINTSAFELN sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHHHHHHHHHHHHTTEE GGGEEESSSS EEE TT EE TT EEEEEES GGGS HHHHTT EE HHHHHHHHHHHHHHHHHSS Kabs/Sand
chirality ++++++++++++++++++++-+---+++-+++-----++-+----++++++----++-+---+-+-+++--++++-+--+-++++++++++++++++-+- chirality
bends SSSSSSSSSSSSSSSSSSSSS SSS SSSS SS SS S SSSS SSSSSS SSSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTT TTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >>3<< >>3<< >33< >33< >>3<<>33X33< >>3<< 3-turns
bridge-2 B a bridge-2
bridge-1 EE FFF FFF EE GGGGGG hh bridge-1
sheets BB CCC CCC BB DDDDDD DD sheets
4-turns >>>XXXXXXXXXXXXXX<<<< >>44<< >>>>XXXXXXXXXXX<<<< 4-turns
summary HHHHHHHHHHHHHHHHHHHHheEE gGGeEEEeSSS eEEEe tTTtEEetTTeEEEEEESgGGGghHHHHhTeEEhHHHHHHHHHHHHHHHHHhS summary
sequence EREIVSYVHQVCEALQFLHSHNIGHFDIRPENIIYQTRRSSTIKIIEFGQARQLKPGDNFRLLFTAPEYYAPEVHQHDVVSTATDMWSLGTLVYVLLSGI sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TT SSHHHHHHHHHHT HHHHTTS HHHHHHHHTTS SSGGGS HHHHHHSHHHHS GGGS HHHHHHHHHHH SSGGGGGG Kabs/Sand
chirality -+++-+-+++++++++-++----++++++--+++++++++++-+-+++---++++++-++++--+++--+----+++++++++++--++-+-+-++++++ chirality
bends SS SSSSSSSSSSSS SSSSSSS SSSSSSSSSSS SSSSSS SSSSSSSSSSSS SSSS SSSSSSSSSSS SSSS SS bends
turns TTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTT TTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >33< >33<>33< >>3<< >>3<< >>3>3<< >33< >>>XXX< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXX<<<< >>44<< >>>>XX444< >>>><<44<< >>>>XXXXX<<<< 4-turns
summary tTTt ShHHHHHHHHHHht hHHHHhTthHHHHHHHHhTt SgGGGg hHHHHHHhHHHHhgGGGg hHHHHHHHHHHHh SgGGGGGG summary
sequence NPFLAETNQQIIENIMNAEYTFDEEAFKEISIEAMDFVDRLLVKERKSRMTASEALQHPWLKQKIERVSTKVIRTLKHRRYYHTLIKKDLNMVVSAARIS sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand G SSS TT EEEEEEE Kabs/Sand
chirality ++-++--+-+----+---- chirality
bends S SSS SS bends
turns TT TTTT turns
5-turns 5-turns
3-turns << >33< 3-turns
bridge-2 hh bridge-2
bridge-1 GGGGGG bridge-1
sheets DDDDDDD sheets
4-turns 4-turns
summary GgSSS tTTtEEEEEEEe summary
sequence CGGAIRSQKGVSVAKVKVASI sequence
310 320