Secondary structure calculation program - copyright by David Keith Smith, 1989
1blxA.pdb
1BLX COMPLEX (INHIBITOR PROTEIN/KINASE) MOL_ID: 1; MOL_ID: 1;
Sequence length - 305
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 5 GLY G 0 0 999.9 -81.0 -175.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 24
2 A 6 LEU L + 0 0 -169.8 -20.2 173.4 47.3 999.9 69.6 80 -1.2 0 0.0 0 0.0 0 0.0 8 20
3 A 7 CYS C - 0 0 -136.7 148.3 174.3 -140.0 62.0 173.8 80 -2.3 5 -1.0 0 0.0 0 0.0 7 22
4 A 8 ARG R g > T + 0 0 -98.8 79.9 179.4 166.1 29.9 135.3 0 0.0 7 -1.1 0 0.0 0 0.0 8 28
5 A 9 ALA A G G > > T + 0 0 -66.1 -20.3 -172.4 72.3 66.9 39.6 3 -1.0 9 -2.0 0 0.0 8 -1.2 9 38
6 A 10 ASP D G G 4 3 TS+ 0 0 -72.5 -19.2 178.1 57.1 91.2 48.1 0 0.0 0 0.0 0 0.0 0 0.0 6 34
7 A 11 GLN Q G G 4 < TS+ 0 0 -83.0 -18.5 179.8 36.5 114.4 45.2 4 -1.1 0 0.0 0 0.0 0 0.0 6 24
8 A 12 GLN Q T e 4 < TS+ 0 0 -104.3 -28.7 -175.7 49.6 115.4 44.2 5 -1.2 29 -2.3 0 0.0 0 0.0 9 34
9 A 13 TYR Y E E T - 21 0 -122.8 -165.9 -179.6 -76.8 53.9 133.1 21 -2.5 21 -1.0 0 0.0 0 0.0 8 42
19 A 23 ALA A T T 3 TS+ 0 0 -66.0 -23.5 -179.0 48.4 127.5 41.2 0 0.0 0 0.0 0 0.0 0 0.0 9 34
20 A 24 TYR Y T T 3 TS- 0 0 -97.7 -11.7 179.4 -65.7 122.5 56.3 0 0.0 42 -1.7 0 0.0 0 0.0 9 44
21 A 25 GLY G E E AA < T - 18 0 153.0 178.3 -179.2 -48.0 65.8 149.1 18 -1.0 18 -2.5 0 0.0 0 0.0 10 44
22 A 26 LYS K E E AA - 17 0 -80.6 166.6 179.9 -136.2 40.8 113.9 0 0.0 40 -2.5 0 0.0 0 0.0 12 38
23 A 27 VAL V E E AAB - 16 39 -124.2 130.3 -178.5 -168.1 21.2 167.6 16 -2.5 15 -2.7 0 0.0 16 -1.1 13 43
24 A 28 PHE F E E AAB - 14 38 -116.3 142.3 155.9 -132.2 24.4 156.2 38 -2.5 38 -3.3 0 0.0 0 0.0 13 39
25 A 29 LYS K E E AAB + 13 37 -78.6 132.1 -174.6 172.6 45.5 135.9 13 -2.0 12 -3.0 0 0.0 13 -1.6 14 38
26 A 30 ALA A E E AAB - 11 36 -141.4 162.1 175.1 -114.0 33.5 159.3 36 -2.7 36 -2.7 0 0.0 0 0.0 13 40
27 A 31 ARG R E E AAB - 10 35 -102.3 136.3 -176.7 -137.5 20.1 151.9 10 -2.1 10 -1.9 0 0.0 29 -1.0 12 37
28 A 32 ASP D E E AA >>T - 9 0 -94.7 103.1 -173.3 -172.0 18.9 144.5 34 -2.9 33 -2.0 0 0.0 31 -0.8 13 38
29 A 33 LEU L T e 35TS+ 0 0 -77.1 -14.6 172.1 54.1 80.8 51.1 8 -2.3 0 0.0 27 -1.0 0 0.0 10 26
30 A 34 LYS K T T 35TS+ 0 0 -82.9 -22.4 -170.3 50.2 108.8 44.3 0 0.0 0 0.0 0 0.0 0 0.0 6 22
31 A 35 ASN N T T X5TS- 0 0 -118.9 50.2 172.7 -74.6 128.8 112.9 28 -0.8 34 -1.1 0 0.0 0 0.0 6 22
32 A 36 GLY G T T 35TS- 0 0 92.6 -17.9 -171.7 -72.2 79.6 78.6 0 0.0 0 0.0 0 0.0 0 0.0 6 15
33 A 37 GLY G T T 3 T - 0 0 -104.6 -172.6 177.4 -80.3 35.4 106.2 50 -1.9 49 -2.0 0 0.0 0 0.0 9 20
47 A 51 GLU E T T 3 TS+ 0 0 -48.9 -49.4 -176.8 57.7 125.3 24.9 0 0.0 0 0.0 0 0.0 0 0.0 5 15
48 A 52 GLU E T T 3 TS- 0 0 -70.8 4.7 174.8 -111.7 115.7 78.2 0 0.0 0 0.0 0 0.0 0 0.0 5 14
49 A 53 GLY G S t < TS+ 0 0 77.9 11.5 179.7 123.0 78.1 57.5 46 -2.0 0 0.0 0 0.0 0 0.0 7 17
50 A 54 MET M - 0 0 -109.2 144.8 175.5 -103.9 69.7 149.1 0 0.0 46 -1.9 0 0.0 0 0.0 7 21
51 A 55 PRO P B B A - 45 0 -59.1 138.1 -179.0 -123.3 42.1 111.1 0 0.0 0 0.0 0 0.0 0 0.0 12 30
52 A 56 LEU L t > T - 0 0 -80.9 -167.7 -159.1 -65.1 46.5 94.5 44 -2.7 55 -2.2 0 0.0 0 0.0 10 32
53 A 57 SER S T h > > TS+ 0 0 -67.2 -18.4 174.8 76.8 120.5 51.7 0 0.0 57 -1.8 0 0.0 56 -1.0 6 30
54 A 58 THR T H H > 3 TS+ 0 0 -51.4 -37.5 180.0 56.4 92.7 24.5 0 0.0 58 -2.0 0 0.0 0 0.0 11 40
55 A 59 ILE I H H > < TS+ 0 0 -65.9 -30.1 -179.1 52.3 105.0 32.7 52 -2.2 59 -1.6 0 0.0 0 0.0 9 41
56 A 60 ARG R H H > < TS+ 0 0 -76.4 -32.3 173.5 51.5 106.8 38.1 53 -1.0 60 -1.7 0 0.0 0 0.0 8 31
57 A 61 GLU E H H X TS+ 0 0 -68.0 -35.7 -179.2 51.1 108.2 32.3 53 -1.8 61 -2.0 0 0.0 0 0.0 11 38
58 A 62 VAL V H H X TS+ 0 0 -68.1 -36.2 176.8 55.5 107.3 27.9 54 -2.0 62 -2.4 0 0.0 0 0.0 10 44
59 A 63 ALA A H H X TS+ 0 0 -59.9 -40.9 173.0 51.8 105.3 28.0 55 -1.6 63 -3.1 0 0.0 0 0.0 8 35
60 A 64 VAL V H H X TS+ 0 0 -61.7 -45.4 173.1 50.8 108.3 25.0 56 -1.7 64 -2.9 0 0.0 0 0.0 9 36
61 A 65 LEU L H H X TS+ 0 0 -60.4 -42.4 179.1 48.2 111.2 27.7 57 -2.0 65 -2.0 0 0.0 0 0.0 10 49
62 A 66 ARG R H H X TS+ 0 0 -66.0 -43.6 171.3 51.1 111.2 18.0 58 -2.4 66 -1.1 0 0.0 0 0.0 9 36
63 A 67 HIS H H H X > TS+ 0 0 -48.7 -52.4 179.2 48.5 110.5 14.6 59 -3.1 66 -1.4 0 0.0 67 -0.5 8 32
64 A 68 LEU L H H < > TS+ 0 0 -56.8 -41.5 -178.8 60.7 104.6 27.4 60 -2.9 67 -1.5 0 0.0 0 0.0 9 43
65 A 69 GLU E H H < > TS+ 0 0 -64.0 -23.9 175.8 70.1 89.1 38.9 61 -2.0 68 -1.1 0 0.0 0 0.0 10 37
66 A 70 THR T H H < < TS+ 0 0 -70.5 -10.9 169.1 52.6 98.0 47.7 63 -1.4 0 0.0 62 -1.1 0 0.0 6 24
67 A 71 PHE F T h < < TS- 0 0 -83.3 -21.4 -177.4 -151.8 93.6 50.1 64 -1.5 0 0.0 63 -0.5 0 0.0 6 26
68 A 72 GLU E t < T - 0 0 47.3 54.5 177.9 -161.4 13.7 26.1 65 -1.1 0 0.0 0 0.0 0 0.0 8 30
69 A 73 HIS H t > T - 0 0 -64.2 139.0 -175.3 -134.5 16.8 112.9 0 0.0 72 -1.3 0 0.0 0 0.0 8 36
70 A 74 PRO P T T 3 TS+ 0 0 -69.2 -21.1 -173.5 56.2 98.2 52.7 0 0.0 0 0.0 0 0.0 0 0.0 7 39
71 A 75 ASN N T T 3 TS+ 0 0 -105.4 20.7 168.9 68.0 96.6 85.3 0 0.0 157 -2.3 0 0.0 0 0.0 12 49
72 A 76 VAL V B B b < TS- 157 0 -127.7 150.8 179.0 -98.0 93.2 160.3 69 -1.3 0 0.0 0 0.0 0 0.0 11 56
73 A 77 VAL V - 0 0 -67.0 144.7 -177.0 -108.3 43.8 115.6 157 -2.4 0 0.0 0 0.0 0 0.0 11 54
74 A 78 ARG R e - 0 0 -74.6 141.0 167.0 -141.4 16.3 121.5 0 0.0 95 -2.8 0 0.0 76 -0.7 8 48
75 A 79 LEU L E E AD - 94 0 -94.9 110.0 -174.3 -177.8 21.8 163.1 0 0.0 0 0.0 0 0.0 0 0.0 12 45
76 A 80 PHE F E E A* - 0 0 -84.4 -25.6 -174.2 -17.1 56.8 39.5 93 -3.0 0 0.0 74 -0.7 0 0.0 8 44
77 A 81 ASP D E E AD - 93 0 -173.3 152.8 174.7 -141.1 43.9 168.6 93 -1.2 93 -2.7 0 0.0 0 0.0 7 47
78 A 82 VAL V E E AD - 92 0 -124.2 115.7 -175.1 -168.8 28.0 169.7 0 0.0 0 0.0 0 0.0 0 0.0 9 47
79 A 83 CYS C E E AD - 91 0 -109.6 129.4 170.2 -148.7 16.5 157.2 91 -3.2 91 -2.8 0 0.0 81 -0.7 12 38
80 A 84 THR T E E AD + 90 0 -98.3 122.6 -167.2 172.2 22.0 151.3 0 0.0 3 -2.3 0 0.0 2 -1.2 12 39
81 A 85 VAL V E E A* + 0 0 -102.3 -22.7 -178.8 15.1 61.6 47.1 89 -2.5 0 0.0 79 -0.7 0 0.0 13 32
82 A 86 SER S E E AD - 89 0 -157.7 140.0 179.3 -173.7 53.0 168.4 89 -1.4 89 -2.8 0 0.0 0 0.0 10 29
83 A 87 ARG R E E AD + 88 0 -136.2 115.4 169.9 153.9 18.1 167.2 0 0.0 0 0.0 0 0.0 0 0.0 10 30
84 A 88 THR T e - 0 0 -126.1 -179.0 -175.4 -90.2 59.4 144.5 87 -2.6 0 0.0 0 0.0 0 0.0 6 23
85 A 89 ASP D S S S+ 0 0 -64.4 -34.4 174.8 38.5 125.3 30.6 0 0.0 0 0.0 0 0.0 0 0.0 6 20
86 A 90 ARG R S e S+ 0 0 -83.4 -37.2 -179.3 11.8 122.6 37.0 0 0.0 45 -2.2 0 0.0 0 0.0 7 23
87 A 91 GLU E E E AC - 44 0 -146.9 155.0 164.5 -146.2 46.3 171.9 0 0.0 84 -2.6 0 0.0 0 0.0 12 31
88 A 92 THR T E E ACD - 43 83 -103.9 137.7 170.1 -151.3 22.3 161.5 43 -2.4 43 -3.5 0 0.0 90 -0.6 15 39
89 A 93 LYS K E E ACD - 42 82 -106.0 122.3 173.0 -175.9 17.7 166.9 82 -2.8 81 -2.5 0 0.0 82 -1.4 13 42
90 A 94 LEU L E E ACD - 41 80 -107.3 149.9 162.1 -151.3 17.8 150.3 41 -2.8 41 -2.9 88 -0.6 92 -0.5 13 52
91 A 95 THR T E E ACD - 40 79 -114.2 122.5 170.9 -156.9 12.2 173.7 79 -2.8 79 -3.2 0 0.0 0 0.0 13 55
92 A 96 LEU L E E ACD - 39 78 -91.4 127.3 -175.5 -152.6 6.4 147.9 39 -2.8 39 -3.0 90 -0.5 94 -0.6 13 65
93 A 97 VAL V E E ACD - 38 77 -108.6 110.5 -176.8 -179.7 19.1 160.2 77 -2.7 76 -3.0 0 0.0 77 -1.2 13 56
94 A 98 PHE F E E ACD - 37 75 -109.4 153.1 166.7 -100.1 35.6 148.2 37 -2.8 37 -2.9 92 -0.6 0 0.0 13 58
95 A 99 GLU E E E AC - 36 0 -59.6 143.4 -177.9 -148.2 41.0 114.0 74 -2.8 0 0.0 0 0.0 0 0.0 11 53
96 A 100 HIS H e - 0 0 -124.9 133.8 178.1 -161.1 9.3 165.9 35 -0.9 0 0.0 0 0.0 0 0.0 9 53
97 A 101 VAL V - 0 0 -116.8 130.2 -170.7 -136.8 18.1 163.8 0 0.0 99 -0.8 0 0.0 0 0.0 10 46
98 A 102 ASP D S S S+ 0 0 -85.7 42.3 172.6 55.2 79.8 98.2 0 0.0 0 0.0 0 0.0 0 0.0 7 39
99 A 103 GLN Q - 0 0 -162.3 136.3 170.8 -160.2 60.5 154.5 97 -0.8 149 -2.1 0 0.0 0 0.0 10 35
100 A 104 ASP D B h > C T - 148 0 -109.7 173.4 -175.3 -105.2 37.9 132.3 0 0.0 104 -2.3 0 0.0 0 0.0 13 42
101 A 105 LEU L H H > TS+ 0 0 -71.5 -23.4 174.9 63.3 118.0 24.1 147 -1.9 105 -2.7 144 -1.6 0 0.0 12 54
102 A 106 THR T H H > TS+ 0 0 -60.1 -49.1 -176.3 41.5 108.0 20.3 0 0.0 106 -1.7 0 0.0 0 0.0 8 46
103 A 107 THR T H H > TS+ 0 0 -70.6 -41.5 171.0 53.7 111.5 26.2 0 0.0 107 -2.1 0 0.0 0 0.0 8 31
104 A 108 TYR Y H H X TS+ 0 0 -50.9 -51.8 180.0 46.3 111.8 17.6 100 -2.3 108 -1.1 0 0.0 0 0.0 10 43
105 A 109 LEU L H H < TS+ 0 0 -61.2 -36.2 179.2 51.8 112.4 32.0 101 -2.7 0 0.0 0 0.0 0 0.0 11 42
106 A 110 ASP D H H < TS+ 0 0 -70.4 -29.7 -173.7 41.8 113.1 35.1 102 -1.7 0 0.0 0 0.0 0 0.0 7 28
107 A 111 LYS K H H < TS+ 0 0 -96.8 -11.0 -171.7 110.9 83.8 55.7 103 -2.1 0 0.0 0 0.0 0 0.0 6 26
108 A 112 VAL V S h < TS- 0 0 -69.0 142.4 -179.3 -112.0 70.0 116.9 104 -1.1 0 0.0 0 0.0 0 0.0 8 27
109 A 113 PRO P t > T - 0 0 -69.5 152.9 162.4 -54.1 47.7 105.3 0 0.0 112 -2.9 0 0.0 0 0.0 6 18
110 A 114 GLU E T T 3 TS+ 0 0 -51.3 139.7 1.9 35.3 120.8 112.1 0 0.0 0 0.0 0 0.0 0 0.0 4 18
111 A 115 PRO P T T 3 TS- 0 0 -93.6 21.5 169.0 -118.8 108.7 156.2 0 0.0 0 0.0 0 0.0 0 0.0 4 24
112 A 116 GLY G t < T - 0 0 128.3 -160.5 -176.0 -10.5 55.8 143.3 109 -2.9 0 0.0 0 0.0 0 0.0 9 30
113 A 117 VAL V S S S- 0 0 -79.9 131.9 175.5 -109.1 74.9 128.7 208 -0.5 0 0.0 0 0.0 0 0.0 11 37
114 A 118 PRO P h > > T - 0 0 -53.1 144.8 -179.9 -118.7 26.6 103.8 0 0.0 118 -2.1 0 0.0 117 -1.0 6 33
115 A 119 THR T H H > 3 TS+ 0 0 -53.2 -47.1 -176.7 51.5 111.7 34.5 0 0.0 119 -2.0 0 0.0 0 0.0 6 40
116 A 120 GLU E H H > 3 TS+ 0 0 -66.6 -32.2 -178.2 51.3 108.2 40.0 0 0.0 120 -1.7 0 0.0 0 0.0 8 33
117 A 121 THR T H H > < TS+ 0 0 -74.7 -38.3 175.0 54.6 105.9 31.7 114 -1.0 121 -2.7 0 0.0 0 0.0 8 43
118 A 122 ILE I H H X TS+ 0 0 -55.0 -50.1 173.0 48.0 110.8 15.7 114 -2.1 122 -2.8 0 0.0 0 0.0 11 56
119 A 123 LYS K H H X TS+ 0 0 -52.1 -48.4 -177.9 47.3 112.1 20.6 115 -2.0 123 -2.1 0 0.0 0 0.0 11 49
120 A 124 ASP D H H X TS+ 0 0 -64.4 -44.1 179.1 48.1 113.8 23.5 116 -1.7 124 -2.1 0 0.0 0 0.0 9 45
121 A 125 MET M H H X TS+ 0 0 -66.4 -39.0 174.9 48.7 111.7 23.7 117 -2.7 125 -2.1 0 0.0 0 0.0 11 57
122 A 126 MET M H H X TS+ 0 0 -66.2 -33.9 179.3 54.2 109.7 29.3 118 -2.8 126 -2.4 0 0.0 0 0.0 9 69
123 A 127 PHE F H H X TS+ 0 0 -65.7 -38.4 -177.9 44.4 111.4 19.1 119 -2.1 127 -2.1 0 0.0 0 0.0 10 54
124 A 128 GLN Q H H X TS+ 0 0 -72.4 -35.9 -179.7 53.2 111.6 29.5 120 -2.1 128 -2.5 0 0.0 0 0.0 11 52
125 A 129 LEU L H H X TS+ 0 0 -62.8 -48.0 177.2 45.2 111.8 19.0 121 -2.1 129 -2.2 0 0.0 0 0.0 12 65
126 A 130 LEU L H H X TS+ 0 0 -66.3 -31.7 176.6 54.4 110.3 28.9 122 -2.4 130 -2.9 0 0.0 0 0.0 13 61
127 A 131 ARG R H H X TS+ 0 0 -66.1 -43.9 175.1 46.6 110.3 24.0 123 -2.1 131 -1.9 0 0.0 0 0.0 12 46
128 A 132 GLY G H H X TS+ 0 0 -58.3 -45.3 -179.1 47.9 114.2 27.7 124 -2.5 132 -2.1 0 0.0 0 0.0 14 56
129 A 133 LEU L H H X TS+ 0 0 -65.3 -43.4 176.7 52.6 108.6 24.8 125 -2.2 133 -3.0 0 0.0 0 0.0 11 60
130 A 134 ASP D H H X TS+ 0 0 -59.3 -35.3 177.3 54.9 107.2 22.8 126 -2.9 134 -2.5 0 0.0 0 0.0 10 49
131 A 135 PHE F H H X TS+ 0 0 -62.0 -49.5 174.6 42.5 112.1 16.1 127 -1.9 135 -1.1 0 0.0 0 0.0 9 46
132 A 136 LEU L H H < >>TS+ 0 0 -60.2 -49.2 -179.0 48.3 115.0 17.4 128 -2.1 137 -2.3 0 0.0 135 -0.8 11 51
133 A 137 HIS H H H < >5TS+ 0 0 -60.9 -34.5 -178.6 58.4 105.7 31.8 129 -3.0 136 -2.0 0 0.0 0 0.0 10 44
134 A 138 SER S H H < 35TS+ 0 0 -71.8 -17.6 166.2 46.7 108.6 37.6 130 -2.5 0 0.0 0 0.0 0 0.0 7 33
135 A 139 HIS H T h < <5TS- 0 0 -101.1 19.9 172.2 -108.8 124.0 83.6 131 -1.1 0 0.0 132 -0.8 0 0.0 7 32
136 A 140 ARG R T T <5TS+ 0 0 64.6 30.1 178.6 137.0 74.0 34.1 133 -2.0 138 -0.5 0 0.0 0 0.0 6 32
137 A 141 VAL V t T - 0 0 -158.7 165.0 -177.8 -89.6 65.0 163.5 0 0.0 146 -2.2 0 0.0 0 0.0 9 56
144 A 148 PRO P G G > TS+ 0 0 -52.4 -30.8 175.9 63.8 118.7 38.8 0 0.0 101 -1.6 0 0.0 147 -1.1 10 60
145 A 149 GLN Q G G 3 TS+ 0 0 -70.3 -21.0 175.4 40.1 106.9 45.6 0 0.0 0 0.0 0 0.0 0 0.0 8 46
146 A 150 ASN N G e < TS+ 0 0 -114.5 25.5 165.5 90.9 93.2 84.2 143 -2.2 158 -1.9 0 0.0 148 -0.6 11 52
147 A 151 ILE I E E BE < TS- 157 0 -104.2 112.3 -177.1 -156.8 70.2 164.7 144 -1.1 101 -1.9 0 0.0 0 0.0 13 57
148 A 152 LEU L E E BEC - 156 100 -95.6 149.0 -170.8 -157.6 6.5 128.6 156 -2.8 156 -2.6 146 -0.6 0 0.0 15 48
149 A 153 VAL V E E BE - 155 0 -131.5 113.8 -176.0 -144.2 9.2 166.3 99 -2.1 0 0.0 0 0.0 0 0.0 15 48
150 A 154 THR T e > T - 0 0 -73.5 171.5 -178.8 -101.9 34.1 100.4 154 -2.8 153 -1.8 0 0.0 0 0.0 11 38
151 A 155 SER S T T 3 TS+ 0 0 -70.0 -14.1 174.7 54.5 124.6 47.3 0 0.0 0 0.0 0 0.0 0 0.0 6 24
152 A 156 SER S T T 3 TS- 0 0 -96.0 5.9 173.4 -102.3 124.5 76.1 0 0.0 0 0.0 0 0.0 0 0.0 5 23
153 A 157 GLY G t < T + 0 0 90.9 23.1 177.3 149.2 69.4 43.5 150 -1.8 0 0.0 0 0.0 0 0.0 7 41
154 A 158 GLN Q e - 0 0 -88.6 138.8 -173.7 -136.3 40.0 136.3 0 0.0 150 -2.8 0 0.0 0 0.0 10 41
155 A 159 ILE I E E BE - 149 0 -98.5 137.8 172.6 -175.7 21.4 139.4 0 0.0 0 0.0 0 0.0 0 0.0 13 54
156 A 160 LYS K E E BE - 148 0 -135.0 127.9 178.0 -138.6 18.4 168.9 148 -2.6 148 -2.8 0 0.0 0 0.0 14 55
157 A 161 LEU L E E BEb + 147 72 -80.5 142.1 -177.8 174.6 30.2 124.9 71 -2.3 73 -2.4 0 0.0 0 0.0 13 61
158 A 162 ALA A e + 0 0 -139.2 165.8 169.9 45.3 41.9 144.9 146 -1.9 0 0.0 0 0.0 0 0.0 9 62
159 A 163 ASP D S S S+ 0 0 68.9 48.2 176.9 119.0 78.2 25.6 0 0.0 0 0.0 0 0.0 0 0.0 5 62
160 A 164 PHE F + 0 0 -131.5 168.3 161.5 53.9 35.1 159.5 0 0.0 0 0.0 0 0.0 0 0.0 8 61
161 A 165 GLY G + 0 0 101.7 -5.4 178.8 107.1 68.4 75.7 0 0.0 0 0.0 0 0.0 0 0.0 11 50
162 A 166 LEU L S S S- 0 0 -106.0 138.2 -174.3 -108.4 72.1 146.6 0 0.0 0 0.0 0 0.0 0 0.0 7 48
163 A 167 ALA A - 0 0 -61.1 151.2 173.3 -104.1 33.6 102.9 0 0.0 165 -0.6 0 0.0 0 0.0 6 33
164 A 168 ARG R + 0 0 -75.1 117.1 -178.9 169.0 52.8 132.2 0 0.0 0 0.0 0 0.0 0 0.0 4 33
165 A 169 ILE I - 0 0 -127.5 161.3 172.6 -89.8 39.4 151.4 163 -0.6 0 0.0 0 0.0 0 0.0 5 26
166 A 170 TYR Y + 0 0 -62.5 139.6 165.2 177.7 43.1 123.1 0 0.0 0 0.0 0 0.0 0 0.0 6 20
167 A 171 SER S g > T - 0 0 -145.0 139.3 -170.3 -88.0 48.8 169.0 0 0.0 170 -1.4 0 0.0 0 0.0 7 23
168 A 172 PHE F G G > > TS- 0 0 -45.6 97.3 -152.7 -59.5 90.8 95.9 0 0.0 171 -3.9 0 0.0 172 -1.1 6 17
169 A 173 GLN Q G G 4 > TS- 0 0 0.1 69.7 -180.0 -48.3 107.6 37.6 0 0.0 172 -1.3 0 0.0 0 0.0 8 18
170 A 174 MET M G G 4 X TS- 0 0 67.3 19.8 -170.8 -54.7 106.8 48.4 167 -1.4 173 -0.5 0 0.0 0 0.0 11 21
171 A 175 ALA A G G 4 < TS- 0 0 85.0 8.8 -174.6 -69.7 97.1 62.6 168 -3.9 0 0.0 0 0.0 0 0.0 7 20
172 A 176 LEU L G G < < TS+ 0 0 88.4 -2.8 -177.1 101.7 116.9 72.0 169 -1.3 0 0.0 168 -1.1 0 0.0 7 18
173 A 177 THR T g < T + 0 0 -111.0 152.5 173.3 25.5 66.6 144.4 170 -0.5 0 0.0 0 0.0 0 0.0 6 20
174 A 178 SER S + 0 0 63.5 99.2 -156.5 170.9 63.3 18.7 0 0.0 0 0.0 0 0.0 0 0.0 5 20
175 A 179 VAL V + 0 0 -129.7 -7.9 -177.0 95.1 36.3 63.0 0 0.0 177 -0.8 0 0.0 0 0.0 7 19
176 A 180 VAL V - 0 0 -102.9 106.4 -177.6 -163.5 52.5 147.6 0 0.0 0 0.0 0 0.0 0 0.0 4 19
177 A 181 VAL V - 0 0 -91.1 130.3 -177.1 -134.3 14.0 137.0 175 -0.8 0 0.0 0 0.0 0 0.0 4 32
178 A 182 THR T + 0 0 -88.0 125.6 -178.2 176.5 23.9 136.0 0 0.0 0 0.0 0 0.0 0 0.0 6 34
179 A 183 LEU L t > T + 0 0 -104.7 5.0 -168.3 106.4 52.1 71.0 0 0.0 182 -1.8 0 0.0 0 0.0 11 42
180 A 184 TRP W T T 3 TS+ 0 0 -64.5 -23.6 -176.0 36.9 85.1 42.7 0 0.0 0 0.0 0 0.0 0 0.0 10 51
181 A 185 TYR Y T T 3 TS+ 0 0 -111.6 10.1 -176.1 122.5 88.8 79.4 0 0.0 0 0.0 0 0.0 0 0.0 13 58
182 A 186 ARG R t < T - 0 0 -80.7 147.7 -173.0 -118.7 62.4 123.4 179 -1.8 0 0.0 0 0.0 0 0.0 11 57
183 A 187 ALA A h > > T - 0 0 -84.7 153.8 -175.5 -116.0 21.9 114.0 0 0.0 187 -1.8 0 0.0 186 -0.9 10 61
184 A 188 PRO P H H > 3 TS+ 0 0 -60.3 -38.1 -179.1 58.7 113.6 32.2 0 0.0 188 -1.9 0 0.0 0 0.0 8 64
185 A 189 GLU E H H 4 3>TS+ 0 0 -64.2 -31.2 173.6 46.6 108.5 34.8 0 0.0 190 -3.2 0 0.0 0 0.0 13 50
186 A 190 VAL V H H 4 X5TS+ 0 0 -71.7 -42.2 176.6 51.6 109.9 28.2 183 -0.9 189 -1.2 0 0.0 0 0.0 11 50
187 A 191 LEU L H H < 35TS+ 0 0 -64.8 -29.2 178.8 50.3 110.3 38.6 183 -1.8 0 0.0 0 0.0 0 0.0 12 49
188 A 192 LEU L T h < 35TS- 0 0 -82.7 -2.5 -173.7 -122.8 113.5 66.4 184 -1.9 0 0.0 0 0.0 0 0.0 10 41
189 A 193 GLN Q T T <5T + 0 0 53.0 48.1 178.8 144.4 64.0 22.4 186 -1.2 0 0.0 0 0.0 0 0.0 7 30
190 A 194 SER S t T - 0 0 -143.5 -149.4 179.0 -44.7 63.0 135.7 0 0.0 196 -2.0 0 0.0 0 0.0 6 43
194 A 198 THR T T h > > TS+ 0 0 -59.5 -25.4 -175.4 73.9 118.4 37.0 0 0.0 197 -1.9 0 0.0 198 -0.7 10 50
195 A 199 PRO P H H > > TS+ 0 0 -66.0 -19.2 179.3 75.3 80.6 37.5 0 0.0 199 -1.6 0 0.0 198 -0.6 12 52
196 A 200 VAL V H H > < TS+ 0 0 -58.6 -32.2 -179.3 52.4 92.8 26.1 193 -2.0 200 -1.5 0 0.0 0 0.0 14 52
197 A 201 ASP D H H > < TS+ 0 0 -75.7 -30.1 179.1 56.3 102.5 32.4 194 -1.9 201 -2.4 0 0.0 0 0.0 14 67
198 A 202 LEU L H H X < TS+ 0 0 -70.2 -27.7 173.6 56.3 103.3 35.6 194 -0.7 202 -2.1 195 -0.6 0 0.0 14 65
199 A 203 TRP W H H X TS+ 0 0 -60.1 -50.5 177.9 46.8 109.0 13.6 195 -1.6 203 -2.0 0 0.0 0 0.0 14 63
200 A 204 SER S H H X TS+ 0 0 -58.4 -42.5 174.4 54.4 108.9 25.0 196 -1.5 204 -2.2 0 0.0 0 0.0 13 66
201 A 205 VAL V H H X TS+ 0 0 -55.4 -39.6 179.1 52.7 106.6 20.9 197 -2.4 205 -3.3 0 0.0 0 0.0 11 73
202 A 206 GLY G H H X TS+ 0 0 -61.5 -47.1 175.3 48.0 109.6 23.6 198 -2.1 206 -2.1 0 0.0 0 0.0 12 71
203 A 207 CYS C H H X TS+ 0 0 -61.0 -39.1 -176.2 46.4 114.0 24.6 199 -2.0 207 -1.5 0 0.0 0 0.0 13 66
204 A 208 ILE I H H X TS+ 0 0 -73.8 -38.2 174.3 55.8 108.7 25.6 200 -2.2 208 -1.8 0 0.0 0 0.0 12 67
205 A 209 PHE F H H X TS+ 0 0 -53.9 -48.9 175.8 47.6 108.7 18.6 201 -3.3 209 -1.0 0 0.0 0 0.0 10 71
206 A 210 ALA A H H X TS+ 0 0 -57.8 -42.6 -175.8 54.5 109.4 27.2 202 -2.1 210 -2.5 0 0.0 0 0.0 12 60
207 A 211 GLU E H H X TS+ 0 0 -67.1 -27.5 175.1 65.0 96.0 34.3 203 -1.5 211 -2.8 0 0.0 0 0.0 11 58
208 A 212 MET M H H < TS+ 0 0 -62.1 -35.6 175.8 35.3 113.0 29.2 204 -1.8 113 -0.5 0 0.0 0 0.0 10 60
209 A 213 PHE F H H < TS+ 0 0 -82.7 -40.6 -177.1 38.1 126.5 28.6 205 -1.0 0 0.0 0 0.0 0 0.0 13 50
210 A 214 ARG R H H < TS- 0 0 -76.4 -31.1 -162.0 -145.9 85.7 41.9 206 -2.5 0 0.0 0 0.0 0 0.0 11 42
211 A 215 ARG R S h < TS+ 0 0 49.5 36.2 174.4 80.5 78.2 36.2 207 -2.8 0 0.0 0 0.0 0 0.0 9 40
212 A 216 LYS K S S S- 0 0 -161.3 136.2 -177.8 -92.5 96.3 160.3 0 0.0 0 0.0 0 0.0 0 0.0 5 36
213 A 217 PRO P - 0 0 -54.6 142.9 -178.8 -140.9 27.9 96.9 0 0.0 0 0.0 0 0.0 0 0.0 11 41
214 A 218 LEU L S S S+ 0 0 -71.9 -44.2 -170.1 32.2 87.6 26.6 0 0.0 216 -0.5 0 0.0 0 0.0 10 52
215 A 219 PHE F + 0 0 -124.6 102.1 -174.2 178.8 64.7 153.3 0 0.0 217 -0.9 0 0.0 0 0.0 10 51
216 A 220 ARG R + 0 0 -108.5 78.0 177.2 158.5 17.1 133.0 214 -0.5 0 0.0 0 0.0 0 0.0 9 38
217 A 221 GLY G - 0 0 -89.6 167.7 176.6 -150.1 34.3 122.4 215 -0.9 0 0.0 0 0.0 0 0.0 12 29
218 A 222 SER S S S S+ 0 0 -118.0 -4.4 168.4 20.9 76.4 58.9 0 0.0 0 0.0 0 0.0 0 0.0 8 23
219 A 223 SER S S h > TS- 0 0 -146.9 172.2 177.4 -93.6 89.2 164.2 0 0.0 223 -3.6 0 0.0 0 0.0 7 27
220 A 224 ASP D H H > TS+ 0 0 -48.1 -45.3 -175.5 41.5 125.4 28.6 0 0.0 224 -2.1 0 0.0 0 0.0 10 34
221 A 225 VAL V H H > TS+ 0 0 -78.0 -34.8 178.9 47.5 116.1 33.0 0 0.0 225 -1.3 0 0.0 0 0.0 7 36
222 A 226 ASP D H H > TS+ 0 0 -71.7 -38.0 178.4 53.3 110.9 24.3 0 0.0 226 -2.2 0 0.0 0 0.0 9 31
223 A 227 GLN Q H H X TS+ 0 0 -61.1 -47.3 174.3 48.9 109.4 18.2 219 -3.6 227 -2.5 0 0.0 0 0.0 15 42
224 A 228 LEU L H H X TS+ 0 0 -55.9 -40.1 -171.8 52.1 109.5 35.0 220 -2.1 228 -2.4 0 0.0 0 0.0 11 53
225 A 229 GLY G H H X TS+ 0 0 -70.8 -41.5 173.9 49.7 108.4 30.3 221 -1.3 229 -1.8 0 0.0 0 0.0 10 43
226 A 230 LYS K H H X TS+ 0 0 -59.1 -43.5 171.1 51.3 111.9 22.1 222 -2.2 230 -0.7 0 0.0 0 0.0 11 42
227 A 231 ILE I H H X > TS+ 0 0 -54.4 -57.7 -172.9 45.8 110.4 16.6 223 -2.5 231 -2.0 0 0.0 230 -1.4 9 56
228 A 232 LEU L H H X 3 TS+ 0 0 -67.2 -23.4 172.0 67.7 100.5 34.5 224 -2.4 232 -2.3 0 0.0 0 0.0 11 52
229 A 233 ASP D H H < 3 TS+ 0 0 -58.1 -32.6 -179.1 34.4 112.1 39.1 225 -1.8 0 0.0 0 0.0 0 0.0 12 35
230 A 234 VAL V H H < < TS+ 0 0 -92.2 -51.8 -172.1 32.2 127.1 23.5 227 -1.4 256 -2.7 226 -0.7 0 0.0 9 44
231 A 235 ILE I H H < TS- 0 0 -91.8 -8.6 175.1 -121.7 107.0 52.1 227 -2.0 0 0.0 0 0.0 0 0.0 11 47
232 A 236 GLY G h < T - 0 0 93.3 158.5 179.4 -52.4 39.6 90.0 228 -2.3 0 0.0 0 0.0 0 0.0 11 36
233 A 237 LEU L - 0 0 -72.8 126.4 178.4 -124.0 61.5 123.2 253 -3.1 0 0.0 0 0.0 0 0.0 13 34
234 A 238 PRO P - 0 0 -63.5 152.8 167.0 -95.8 31.1 110.4 0 0.0 0 0.0 0 0.0 0 0.0 8 41
235 A 239 GLY G g > > T - 0 0 -56.3 152.7 171.1 -104.2 38.8 103.9 0 0.0 238 -2.5 0 0.0 239 -0.6 6 27
236 A 240 GLU E G G 4 > TS+ 0 0 -46.1 -42.1 175.7 59.8 122.9 22.7 0 0.0 239 -1.5 0 0.0 0 0.0 6 24
237 A 241 GLU E G G 4 3 TS+ 0 0 -68.0 -8.1 176.2 52.2 102.5 52.1 0 0.0 0 0.0 0 0.0 0 0.0 6 20
238 A 242 ASP D G G 4 < TS+ 0 0 -101.1 -5.0 -175.6 94.1 87.0 57.5 235 -2.5 0 0.0 0 0.0 0 0.0 8 30
239 A 243 TRP W S g < < TS- 0 0 -90.7 125.5 -168.8 -112.1 85.3 138.8 236 -1.5 0 0.0 235 -0.6 0 0.0 9 41
240 A 244 PRO P t > T - 0 0 -63.0 149.6 175.3 -115.6 28.4 99.9 0 0.0 243 -0.6 0 0.0 0 0.0 8 34
241 A 245 ARG R T T 3 TS+ 0 0 -75.7 151.2 170.0 18.8 89.5 116.6 0 0.0 0 0.0 0 0.0 0 0.0 4 26
242 A 246 ASP D T T 3 TS+ 0 0 66.3 28.2 174.6 134.8 84.7 37.7 0 0.0 0 0.0 0 0.0 0 0.0 4 20
243 A 247 VAL V t < T - 0 0 -105.3 164.6 -172.5 -126.0 59.6 139.6 240 -0.6 0 0.0 0 0.0 0 0.0 9 26
244 A 248 ALA A S S S+ 0 0 -78.8 -35.7 -180.0 73.7 90.7 32.7 0 0.0 0 0.0 0 0.0 0 0.0 5 22
245 A 249 LEU L S S S- 0 0 -86.1 123.6 -176.1 -144.7 76.7 132.7 0 0.0 0 0.0 0 0.0 0 0.0 6 32
246 A 250 PRO P g > T - 0 0 -84.0 145.8 173.8 -124.1 19.6 127.2 0 0.0 249 -2.1 0 0.0 0 0.0 7 30
247 A 251 ARG R G G > TS+ 0 0 -50.9 -40.8 171.6 67.7 111.8 26.1 0 0.0 250 -2.0 0 0.0 0 0.0 8 37
248 A 252 GLN Q G G 3 TS+ 0 0 -44.0 -35.4 -179.7 71.8 82.2 48.6 0 0.0 0 0.0 0 0.0 0 0.0 5 26
249 A 253 ALA A G G < TS+ 0 0 -65.4 -14.0 -176.4 67.9 92.7 51.1 246 -2.1 0 0.0 0 0.0 0 0.0 6 28
250 A 254 PHE F S g < TS- 0 0 -106.4 162.2 172.4 -89.9 94.2 134.0 247 -2.0 0 0.0 0 0.0 0 0.0 8 32
251 A 255 HIS H - 0 0 -48.2 148.2 151.2 -116.3 36.5 100.9 0 0.0 253 -0.7 0 0.0 0 0.0 6 28
252 A 256 SER S + 0 0 -78.5 120.4 179.3 163.2 54.7 155.7 0 0.0 0 0.0 0 0.0 0 0.0 6 24
253 A 257 LYS K - 0 0 -140.7 138.0 171.9 -135.5 33.8 171.9 251 -0.7 233 -3.1 0 0.0 0 0.0 8 24
254 A 258 SER S - 0 0 -77.3 163.2 169.4 -84.7 43.2 119.2 0 0.0 0 0.0 0 0.0 0 0.0 8 24
255 A 259 ALA A - 0 0 -62.7 144.4 168.6 -133.9 41.6 116.0 0 0.0 0 0.0 0 0.0 0 0.0 10 29
256 A 260 GLN Q - 0 0 -92.2 149.8 170.9 -95.1 31.8 138.5 230 -2.7 0 0.0 0 0.0 0 0.0 9 30
257 A 261 PRO P g > T - 0 0 -59.8 128.5 -173.2 -134.9 36.6 117.6 0 0.0 260 -1.5 0 0.0 0 0.0 5 29
258 A 262 ILE I G G > > TS+ 0 0 -67.2 -26.6 177.5 75.0 95.8 31.3 0 0.0 261 -2.8 0 0.0 262 -1.9 8 40
259 A 263 GLU E G G 4 3 TS+ 0 0 -64.1 -13.1 165.7 71.8 81.2 41.9 0 0.0 0 0.0 0 0.0 0 0.0 7 30
260 A 264 LYS K G G 4 < TS+ 0 0 -60.8 -25.8 -172.1 25.4 114.1 39.4 257 -1.5 0 0.0 0 0.0 0 0.0 7 27
261 A 265 PHE F T g 4 < TS+ 0 0 -114.6 -27.0 -177.8 48.0 124.9 50.9 258 -2.8 0 0.0 0 0.0 0 0.0 7 37
262 A 266 VAL V t < T - 0 0 -123.9 104.6 -179.9 -172.7 68.3 151.6 258 -1.9 0 0.0 0 0.0 0 0.0 10 40
263 A 267 THR T + 0 0 -91.6 150.5 169.4 24.5 66.0 123.7 0 0.0 0 0.0 0 0.0 0 0.0 8 33
264 A 268 ASP D S S S+ 0 0 88.2 -10.3 179.3 129.2 81.8 68.2 0 0.0 0 0.0 0 0.0 0 0.0 5 33
265 A 269 ILE I - 0 0 -77.4 141.8 -174.5 -129.5 54.9 125.6 0 0.0 0 0.0 0 0.0 0 0.0 9 41
266 A 270 ASP D h > T - 0 0 -88.7 177.7 -171.0 -95.6 27.8 108.0 0 0.0 270 -2.4 0 0.0 0 0.0 6 35
267 A 271 GLU E H H > TS+ 0 0 -71.5 -31.0 175.6 51.5 124.1 33.4 0 0.0 271 -1.5 0 0.0 0 0.0 6 27
268 A 272 LEU L H H > TS+ 0 0 -66.8 -46.4 172.8 49.3 110.9 22.1 0 0.0 272 -2.0 0 0.0 0 0.0 8 35
269 A 273 GLY G H H > TS+ 0 0 -54.7 -48.3 174.4 55.2 106.9 32.3 0 0.0 273 -3.0 0 0.0 0 0.0 9 50
270 A 274 LYS K H H X TS+ 0 0 -50.1 -49.4 179.6 50.5 107.1 23.0 266 -2.4 274 -2.2 0 0.0 0 0.0 10 45
271 A 275 ASP D H H X TS+ 0 0 -58.3 -49.9 179.1 44.3 113.3 22.7 267 -1.5 275 -1.7 0 0.0 0 0.0 8 41
272 A 276 LEU L H H X TS+ 0 0 -61.7 -43.6 177.3 55.0 111.4 17.9 268 -2.0 276 -1.9 0 0.0 0 0.0 11 47
273 A 277 LEU L H H X TS+ 0 0 -50.9 -52.8 178.3 46.5 108.9 26.2 269 -3.0 277 -2.4 0 0.0 0 0.0 11 64
274 A 278 LEU L H H < TS+ 0 0 -63.2 -34.8 172.8 57.5 107.8 32.8 270 -2.2 0 0.0 0 0.0 0 0.0 9 53
275 A 279 LYS K H H < TS+ 0 0 -66.4 -34.7 169.3 43.9 110.0 38.3 271 -1.7 285 -1.7 0 0.0 0 0.0 9 47
276 A 280 CYS C H H < TS+ 0 0 -72.9 -39.5 -178.7 56.2 111.0 32.4 272 -1.9 278 -0.7 0 0.0 0 0.0 12 57
277 A 281 LEU L S h < TS+ 0 0 -88.0 49.0 175.5 134.4 75.8 105.0 273 -2.4 279 -0.5 0 0.0 0 0.0 12 62
278 A 282 THR T - 0 0 -96.8 125.1 -176.2 -142.3 52.4 149.7 276 -0.7 0 0.0 0 0.0 0 0.0 11 54
279 A 283 PHE F S S S+ 0 0 -56.2 -53.1 -175.4 69.1 82.6 28.5 277 -0.5 0 0.0 0 0.0 0 0.0 9 59
280 A 284 ASN N S t > > TS- 0 0 -78.0 124.7 -173.0 -148.3 74.2 130.2 0 0.0 283 -1.5 0 0.0 284 -0.7 9 48
281 A 285 PRO P T T 4 3 TS+ 0 0 -64.1 -30.6 179.7 60.7 94.8 37.9 0 0.0 0 0.0 0 0.0 0 0.0 9 43
282 A 286 ALA A T T 4 3 TS+ 0 0 -70.1 -21.7 178.8 42.7 109.2 40.5 0 0.0 0 0.0 0 0.0 0 0.0 5 34
283 A 287 LYS K T T 4 < TS+ 0 0 -97.2 -9.6 -173.3 106.7 89.9 61.6 280 -1.5 0 0.0 0 0.0 0 0.0 7 36
284 A 288 ARG R S t < TS- 0 0 -71.1 147.7 178.6 -103.6 79.0 116.2 280 -0.7 0 0.0 0 0.0 0 0.0 13 40
285 A 289 ILE I - 0 0 -68.9 162.1 171.8 -122.3 32.0 110.4 275 -1.7 0 0.0 0 0.0 0 0.0 10 43
286 A 290 SER S h > T - 0 0 -89.7 164.0 178.6 -113.2 21.4 114.2 0 0.0 290 -2.1 0 0.0 0 0.0 8 49
287 A 291 ALA A H H > TS+ 0 0 -65.7 -40.9 -177.2 52.2 117.4 27.4 0 0.0 291 -1.5 0 0.0 0 0.0 11 54
288 A 292 TYR Y H H > TS+ 0 0 -66.2 -38.8 174.8 45.4 112.0 22.7 0 0.0 292 -0.7 0 0.0 0 0.0 9 35
289 A 293 SER S H H 4 > TS+ 0 0 -68.7 -31.5 177.8 58.8 107.5 30.6 0 0.0 292 -0.8 0 0.0 0 0.0 8 39
290 A 294 ALA A H H < > TS+ 0 0 -63.9 -34.9 -177.2 59.0 98.3 28.0 286 -2.1 293 -1.6 0 0.0 0 0.0 10 50
291 A 295 LEU L H H < 3 TS+ 0 0 -66.0 -27.4 172.3 51.9 105.2 44.1 287 -1.5 0 0.0 0 0.0 0 0.0 10 42
292 A 296 SER S T h < < TS+ 0 0 -78.8 -6.7 -172.9 118.9 82.7 70.5 289 -0.8 0 0.0 288 -0.7 0 0.0 7 30
293 A 297 HIS H S g X TS- 0 0 -67.4 152.9 -178.0 -117.1 76.3 112.3 290 -1.6 296 -2.1 0 0.0 0 0.0 9 36
294 A 298 PRO P G G > TS+ 0 0 -63.0 -26.6 171.4 79.3 106.0 38.6 0 0.0 297 -3.0 0 0.0 0 0.0 6 30
295 A 299 TYR Y G G 3 TS+ 0 0 -45.1 -36.2 -175.2 49.4 93.3 36.7 0 0.0 0 0.0 0 0.0 0 0.0 9 40
296 A 300 PHE F G G X TS+ 0 0 -89.6 0.2 -178.2 109.4 81.4 69.1 293 -2.1 299 -1.2 0 0.0 0 0.0 10 37
297 A 301 GLN Q T g < TS+ 0 0 -44.5 -53.7 -170.1 42.9 76.0 35.6 294 -3.0 299 -0.5 0 0.0 0 0.0 6 28
298 A 302 ASP D T T 3 TS+ 0 0 -93.1 40.8 -168.0 165.7 70.0 97.5 0 0.0 300 -0.8 0 0.0 0 0.0 5 24
299 A 303 LEU L t < T - 0 0 -66.6 103.2 -163.6 -155.7 25.6 110.0 296 -1.2 301 -1.7 297 -0.5 0 0.0 8 29
300 A 304 GLU E - 0 0 -89.1 81.5 -161.5 -168.0 10.7 122.1 298 -0.8 302 -1.6 0 0.0 0 0.0 6 22
301 A 305 ARG R - 0 0 -91.3 87.5 171.1 -44.1 54.1 119.9 299 -1.7 0 0.0 0 0.0 0 0.0 4 22
302 A 306 CYS C - 0 0 66.7 92.4 177.9 -177.6 65.1 10.7 300 -1.6 0 0.0 0 0.0 0 0.0 4 15
303 A 307 LYS K - 0 0 -88.2 -141.1 177.2 -59.8 40.5 71.2 0 0.0 0 0.0 0 0.0 0 0.0 5 9
304 A 308 GLU E 0 0 -113.3 147.6 -178.7 999.9 999.9 150.9 0 0.0 0 0.0 0 0.0 0 0.0 3 5
305 A 309 ASN N 0 0 95.9 999.9 999.9 999.9 999.9 86.7 0 0.0 0 0.0 0 0.0 0 0.0 2 5
1blxA.pdb
1BLX COMPLEX (INHIBITOR PROTEIN/KINASE) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand GGGTEEEEEEEEEETTEEEEEEEETTTTT EEEEEEEEEEB TTS B THHHHHHHHHHHHHT TTB EEEEEEEEE SSEEEEEEEEE S B Kabs/Sand
chirality +-+++++--++-+--+-+-----+---++--+-+-----------+-+---++++++++++++++---++--------++-+-++-----------+-- chirality
bends SSS SS SSSSS SSS SSSSSSSSSSSSSSS SSS SS S bends
turns TTTTTT TTTT TTTTTTT TTTT TTTTTTTTTTTTTTTTTTTTT T turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >33X33< >33< >>3<< >>><<<>33< 3-turns
bridge-2 BBBBB CCCCCCCCC DDDDDDD bridge-2
bridge-1 AAA*AA*AAA AAAAAAAA BBBBB A A b D*DDDD*DD CCCCCCCCC C bridge-1
sheets AAAAAAAAAA AAAAAAAA AAAAAAAAAA AAAAAAAAA AAAAAAAAA sheets
4-turns >444< >>>>XXXXXXX<<<< > 4-turns
summary gGGGeEEEEEEEEEETTEEEEEEEEeTTTTeEEEEEEEEEEetTTt BthHHHHHHHHHHHHHhttTTB eEEEEEEEEEeSeEEEEEEEEEe S h summary
sequence GLCRADQQYECVAEIGEGAYGKVFKARDLKNGGRFVALKRVRVQTGEEGMPLSTIREVAVLRHLETFEHPNVVRLFDVCTVSRTDRETKLTLVFEHVDQD sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHS TT S HHHHHHHHHHHHHHHHHHHHTT GGGEEE TT EEE S S GGGGG TT HHHHTT THHHHHH Kabs/Sand
chirality +++++++--+----++++++++++++++++++++-+---+++-+++----+-+---+++++--+-+-----++++--++++--++++-+--+-+++++++ chirality
bends SSSSSSSS SS S SSSSSSSSSSSSSSSSSSSSSS SSSS SS S S SSSSS SS SSSSS SSSSSSS bends
turns TTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTT TTTTTTT TTTTTTTTTTTT TTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >33< >>3<< >>3<< >33< >>>X<<< >33<>33X33< >>><<< 3-turns
bridge-2 C b bridge-2
bridge-1 EEE EEE bridge-1
sheets BBB BBB sheets
4-turns >>>X<<<< >>>>XXXXXXXXXXXXXX<<<< >444< >>44<< >>>>XXX 4-turns
summary HHHHHHHhtTTtShHHHHHHHHHHHHHHHHHHHHhTt gGGeEEEeTTteEEEeS S gGGGGGg tTTthHHHHhTt thHHHHHH summary
sequence LTTYLDKVPEPGVPTETIKDMMFQLLRGLDFLHSHRVVHRDLKPQNILVTSSGQIKLADFGLARIYSFQMALTSVVVTLWYRAPEVLLQSSYATPVDLWS sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHSS S SSHHHHHHHHHHHH GGGS TT SS GGGS GGGT S HHHHHHHHHHS SSTTTS HHHHHTSGGGTT Kabs/Sand
chirality +++++++++-+--+++-+-+++++++++++-----+++--++-+--+++--+-----++++-++--+++++++++++-+-+++---++++++-+++++-- chirality
bends SSSSSSSSSSSS S SSSSSSSSSSSSSS SSSS SS SS SSSS SSSS S SSSSSSSSSSS SSSSSS SSSSSSSSSSSS bends
turns TTTTTTTTTTT TTTTTTTTTTTTTT TTTTTTTTT TTTTT TTTTTT TTTTTTTTTTTT TTTTT TTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >33< >>3<<>33< >>3<< >>3<< >33< >>33X<3< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXXX<<<< >>>>XXXXXX<<<< >444< >444< >>>>XXXX<<<< >444< >>>4<<< 4-turns
summary HHHHHHHHHHhS S ShHHHHHHHHHHHHh gGGGgtTTtSSgGGGg gGGGgt S hHHHHHHHHHHh StTTTt hHHHHHhgGGGgTt summary
sequence VGCIFAEMFRRKPLFRGSSDVDQLGKILDVIGLPGEEDWPRDVALPRQAFHSKSAQPIEKFVTDIDELGKDLLLKCLTFNPAKRISAYSALSHPYFQDLE sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand Kabs/Sand
chirality --- chirality
bends bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns 4-turns
summary summary
sequence RCKEN sequence