Secondary structure calculation program - copyright by David Keith Smith, 1989
1hrnA.pdb
1HRN ASPARTIC PROTEINASE RENIN COMPLEXED WITH POLYHYDROXYMONOAMIDE INHIBITO HUMAN (HOMO SAPIENS) RECOMBINANT GLYCOSYLATED FORM
Sequence length - 335
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A -2 GLY G 0 0 999.9 -161.4 -178.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 20
2 A -1 ASN N + 0 0 -134.1 13.5 175.6 117.3 999.9 77.8 0 0.0 0 0.0 0 0.0 0 0.0 7 24
3 A 0 THR T B B a - 150 0 -87.6 147.6 174.2 -177.7 35.0 122.0 149 -3.3 151 -3.0 0 0.0 0 0.0 8 31
4 A 1 THR T - 0 0 -141.1 128.8 -176.9 -167.3 9.2 168.2 0 0.0 0 0.0 0 0.0 0 0.0 11 36
5 A 2 SER S E E AA - 173 0 -121.5 140.2 -178.6 -158.9 2.8 154.9 173 -2.1 173 -5.6 0 0.0 0 0.0 11 44
6 A 3 SER S E E AA - 172 0 -123.8 149.0 179.7 -151.8 5.7 162.0 0 0.0 8 -0.5 0 0.0 0 0.0 9 48
7 A 4 VAL V E E AA - 171 0 -114.6 121.5 176.4 -139.5 16.3 165.1 171 -3.1 171 -1.9 0 0.0 0 0.0 12 51
8 A 5 ILE I E E AA - 170 0 -79.5 141.7 -178.5 -155.6 24.0 129.8 6 -0.5 0 0.0 0 0.0 0 0.0 10 44
9 A 6 LEU L E E AA - 169 0 -117.8 157.2 171.8 -132.8 12.4 148.6 169 -2.5 169 -1.1 0 0.0 168 -1.0 13 52
10 A 7 THR T E E AB - 18 0 -103.4 133.0 174.5 -144.9 16.3 142.0 18 -2.8 18 -2.0 0 0.0 12 -0.7 11 43
11 A 8 ASN N E E AB - 17 0 -101.3 106.9 172.0 -166.9 12.7 156.3 0 0.0 13 -0.8 0 0.0 0 0.0 16 44
12 A 9 TYR Y E E >AB > TS- 16 0 -96.1 109.2 177.1 -38.0 71.0 143.8 16 -2.6 15 -2.1 10 -0.7 16 -1.8 10 39
13 A 10 MET M T T 4 3 TS- 0 0 48.9 28.0 178.5 -75.5 101.0 50.8 11 -0.8 0 0.0 0 0.0 0 0.0 6 38
14 A 11 ASP D T T 4 3 TS+ 0 0 68.6 7.1 -174.0 79.3 128.3 58.8 0 0.0 0 0.0 0 0.0 0 0.0 10 50
15 A 12 THR T T T 4 < TS+ 0 0 -120.2 -20.1 180.0 45.9 87.2 55.6 12 -2.1 0 0.0 0 0.0 0 0.0 9 54
16 A 13 GLN Q E E T + 28 94 -125.3 128.9 174.6 1.8 44.7 168.3 28 -2.5 28 -1.4 0 0.0 0 0.0 13 55
24 A 21 GLY G T e 5TS- 0 0 97.7 171.2 179.0 -42.9 90.4 106.7 93 -2.5 0 0.0 0 0.0 0 0.0 14 45
25 A 22 THR T T T 5TS+ 0 0 -127.1 107.8 -0.3 23.9 135.0 166.7 0 0.0 67 -2.5 0 0.0 0 0.0 11 29
26 A 23 PRO P T T 5TS- 0 0 -73.1 169.3 -178.7 -100.4 121.1 47.5 0 0.0 0 0.0 0 0.0 0 0.0 8 24
27 A 24 PRO P T T 5T - 0 0 -63.6 132.7 175.4 -157.2 27.3 104.1 0 0.0 29 -0.5 0 0.0 0 0.0 8 36
28 A 25 GLN Q E E AC T - 0 126 -110.9 108.2 179.4 -175.5 28.0 151.1 125 -2.3 127 -3.1 33 -0.7 38 -1.4 15 71
36 A 33 THR T T T 3 TS+ 0 0 -72.8 -6.6 -177.2 71.1 85.6 55.4 34 -0.6 0 0.0 0 0.0 0 0.0 13 69
37 A 34 GLY G T T 3 TS+ 0 0 -88.5 3.2 -177.0 26.2 106.3 64.1 0 0.0 0 0.0 0 0.0 0 0.0 15 69
38 A 35 SER S t < T - 0 0 -157.2 169.1 -174.8 -141.3 61.8 155.5 35 -1.4 128 -2.3 0 0.0 0 0.0 11 60
39 A 36 SER S + 0 0 -125.9 7.5 -179.3 94.3 63.1 69.0 0 0.0 0 0.0 0 0.0 0 0.0 16 57
40 A 37 ASN N e - 0 0 -102.2 152.5 172.7 -140.5 57.9 131.9 0 0.0 126 -1.9 0 0.0 0 0.0 15 60
41 A 38 VAL V E E AF + 125 0 -104.8 141.5 173.0 162.3 31.6 154.5 0 0.0 106 -2.7 0 0.0 0 0.0 13 75
42 A 39 TRP W E E AFg + 124 106 -154.7 148.3 169.8 177.2 17.6 164.3 124 -2.1 124 -2.0 0 0.0 0 0.0 11 82
43 A 40 VAL V E E A g - 0 107 -137.9 161.4 175.5 -85.0 45.8 160.6 106 -2.3 108 -2.4 0 0.0 0 0.0 15 70
44 A 41 PRO P E E A g - 0 108 -64.1 148.0 -173.9 -130.8 48.7 107.4 0 0.0 61 -2.9 0 0.0 0 0.0 16 62
45 A 42 SER S B e b > T - 61 0 -105.1 152.5 171.5 -129.5 16.2 142.2 108 -2.5 48 -1.8 0 0.0 0 0.0 12 61
46 A 43 SER S T T 3 TS+ 0 0 -68.9 -13.4 176.0 64.8 113.1 46.8 61 -3.1 0 0.0 0 0.0 0 0.0 9 44
47 A 44 LYS K T T 3 TS+ 0 0 -86.6 3.4 176.2 114.0 76.3 58.5 0 0.0 0 0.0 0 0.0 0 0.0 7 37
48 A 45 CYS C S t < TS- 0 0 -75.0 122.9 175.4 -110.5 78.5 124.6 45 -1.8 0 0.0 0 0.0 0 0.0 12 42
49 A 46 SER S t > T - 0 0 -49.5 137.0 176.1 -135.3 14.8 107.1 109 -0.8 52 -1.9 0 0.0 0 0.0 8 29
50 A 46A ARG R T T 3 TS+ 0 0 -74.4 -2.4 173.7 81.9 100.6 56.5 0 0.0 0 0.0 0 0.0 0 0.0 7 26
51 A 46B LEU L T T 3 TS+ 0 0 -71.9 -16.2 169.1 80.1 77.3 41.5 0 0.0 53 -0.9 0 0.0 0 0.0 4 23
52 A 47 TYR Y S h > X TS- 0 0 -87.1 103.0 -179.8 -161.2 74.3 141.3 49 -1.9 55 -1.3 0 0.0 56 -0.7 12 33
53 A 48 THR T H H > > TS+ 0 0 -56.6 -37.1 177.2 64.1 87.2 28.9 51 -0.9 57 -1.7 0 0.0 56 -1.4 10 31
54 A 49 ALA A H H 4 3 TS+ 0 0 -56.6 -30.0 176.1 51.7 101.8 32.8 111 -0.5 0 0.0 0 0.0 0 0.0 11 39
55 A 50 CYS C H H 4 < TS+ 0 0 -76.6 -20.8 179.3 55.0 104.7 45.7 52 -1.3 0 0.0 0 0.0 0 0.0 14 43
56 A 51 VAL V H H < < TS+ 0 0 -77.9 -33.0 -175.4 42.9 113.5 31.7 53 -1.4 0 0.0 52 -0.7 0 0.0 7 34
57 A 52 TYR Y S h < TS+ 0 0 -97.4 1.4 179.1 70.9 107.6 76.0 53 -1.7 0 0.0 0 0.0 0 0.0 7 35
58 A 53 HIS H S S S- 0 0 -117.9 160.3 172.6 -96.0 88.3 143.8 0 0.0 0 0.0 0 0.0 0 0.0 9 46
59 A 54 LYS K - 0 0 -67.1 133.1 -176.2 -146.8 44.4 123.5 0 0.0 0 0.0 0 0.0 0 0.0 9 47
60 A 55 LEU L - 0 0 -113.9 131.4 175.7 -129.0 7.4 160.4 0 0.0 0 0.0 0 0.0 0 0.0 9 50
61 A 56 PHE F B B b - 45 0 -74.2 126.2 177.8 -164.4 21.0 123.3 44 -2.9 46 -3.1 0 0.0 63 -0.7 10 60
62 A 57 ASP D g > T - 0 0 -115.9 100.4 -178.9 -171.6 9.6 153.8 0 0.0 65 -1.8 0 0.0 0 0.0 9 48
63 A 58 ALA A G G > TS+ 0 0 -60.2 -28.6 -178.4 69.1 82.4 31.7 61 -0.7 66 -2.1 0 0.0 0 0.0 8 45
64 A 59 SER S G G 3 TS+ 0 0 -73.6 -2.9 176.1 49.0 98.3 49.6 0 0.0 0 0.0 0 0.0 0 0.0 5 27
65 A 60 ASP D G G < TS+ 0 0 -109.8 8.2 -177.7 89.7 96.4 74.2 62 -1.8 67 -0.5 0 0.0 0 0.0 7 27
66 A 61 SER S g < T - 0 0 -114.5 125.3 -177.7 -170.0 52.0 158.0 63 -2.1 0 0.0 0 0.0 0 0.0 11 30
67 A 62 SER S S S S+ 0 0 -90.3 0.6 175.4 51.8 88.6 59.0 25 -2.5 0 0.0 65 -0.5 0 0.0 8 23
68 A 63 SER S S S S+ 0 0 -111.0 -4.4 179.0 122.0 81.8 59.9 0 0.0 0 0.0 0 0.0 0 0.0 8 30
69 A 64 TYR Y - 0 0 -57.3 144.0 172.4 -161.6 43.7 99.4 0 0.0 0 0.0 0 0.0 0 0.0 12 37
70 A 65 LYS K E E AH - 91 0 -131.1 124.5 -176.7 -126.3 18.9 170.2 91 -3.1 91 -2.3 0 0.0 0 0.0 7 30
71 A 66 HIS H E E AH + 90 0 -67.2 150.3 172.3 148.9 41.9 105.0 0 0.0 0 0.0 0 0.0 0 0.0 7 30
72 A 67 ASN N E E A* - 0 0 -138.0 -68.7 171.0 -173.1 20.0 70.6 89 -0.7 0 0.0 0 0.0 0 0.0 8 28
73 A 68 GLY G E E A* + 0 0 88.6 -1.9 178.3 149.7 24.4 66.9 89 -3.5 0 0.0 0 0.0 0 0.0 7 33
74 A 69 THR T E E A* - 0 0 -62.5 141.9 178.4 -113.7 48.3 115.7 0 0.0 89 -2.4 0 0.0 0 0.0 6 26
75 A 70 GLU E E E AH + 88 0 -79.1 148.1 170.7 173.3 38.3 118.0 0 0.0 0 0.0 0 0.0 0 0.0 8 34
76 A 71 LEU L E E AH - 87 0 -150.3 150.9 175.7 -158.1 20.2 176.2 87 -1.9 87 -2.7 0 0.0 0 0.0 11 38
77 A 72 THR T E E AH - 86 0 -122.5 138.6 179.3 -152.8 12.7 169.9 0 0.0 79 -0.5 0 0.0 0 0.0 9 42
78 A 73 LEU L E E AH - 85 0 -119.0 113.1 -178.0 -160.9 7.8 161.6 85 -3.3 85 -2.0 0 0.0 80 -0.6 8 45
79 A 74 ARG R E E AH + 84 0 -97.3 115.6 178.9 175.3 13.5 141.8 77 -0.5 0 0.0 0 0.0 0 0.0 7 41
80 A 75 TYR Y E E AH > T - 83 0 -113.5 166.5 179.1 -104.2 45.8 137.9 83 -3.0 83 -0.6 78 -0.6 0 0.0 6 48
81 A 76 SER S T T 3 TS+ 0 0 -56.0 -37.0 -176.2 31.9 120.4 30.7 0 0.0 0 0.0 0 0.0 0 0.0 6 46
82 A 77 THR T T T 3 TS- 0 0 -103.4 1.0 -179.2 -17.0 129.7 67.6 0 0.0 0 0.0 0 0.0 0 0.0 5 43
83 A 78 GLY G E E AH < T - 80 0 173.8 174.8 -177.3 -117.1 56.1 168.4 80 -0.6 80 -3.0 0 0.0 0 0.0 9 35
84 A 79 THR T E E AH - 79 0 -136.8 143.5 174.0 -164.9 15.1 168.8 0 0.0 0 0.0 0 0.0 0 0.0 10 40
85 A 80 VAL V E E AH - 78 0 -122.8 154.1 178.2 -163.4 9.1 159.3 78 -2.0 78 -3.3 0 0.0 0 0.0 12 49
86 A 81 SER S E E AHI + 77 110 -136.6 153.9 -180.0 98.6 29.6 169.8 110 -1.9 109 -2.6 0 0.0 110 -1.7 12 45
87 A 82 GLY G E E AHI - 76 108 171.3 -140.4 -174.7 -66.7 55.9 143.1 76 -2.7 76 -1.9 0 0.0 0 0.0 12 46
88 A 83 PHE F E E AHI - 75 107 -148.2 158.6 -178.1 -97.5 40.3 165.6 107 -1.9 107 -3.2 0 0.0 0 0.0 13 47
89 A 84 LEU L E E A*I + 0 106 -83.7 145.5 170.4 168.3 36.4 128.0 74 -2.4 73 -3.5 0 0.0 72 -0.7 14 49
90 A 85 SER S E E AHI - 71 105 -137.2 168.1 174.8 -132.1 24.5 155.4 105 -2.2 105 -2.8 0 0.0 0 0.0 13 53
91 A 86 GLN Q E E AHI + 70 104 -128.7 139.7 178.4 137.6 36.8 166.2 70 -2.3 70 -3.1 0 0.0 0 0.0 12 51
92 A 87 ASP D E E A I - 0 103 -160.1 178.7 178.0 -80.5 52.9 165.3 103 -2.2 103 -3.3 0 0.0 0 0.0 13 50
93 A 88 ILE I E E A I - 0 102 -92.3 135.3 -179.1 -166.8 42.6 139.8 0 0.0 24 -2.5 0 0.0 0 0.0 13 50
94 A 89 ILE I E E ADI - 23 101 -126.0 134.2 175.1 -154.2 9.1 164.2 101 -3.6 101 -2.3 0 0.0 96 -0.5 13 57
95 A 90 THR T E E ADI + 22 100 -107.5 132.3 177.5 171.8 16.9 157.1 22 -2.6 22 -1.8 0 0.0 0 0.0 11 48
96 A 91 VAL V E E A I> TS- 0 99 -141.3 117.0 -175.9 -17.6 72.3 166.2 99 -3.0 99 -1.7 94 -0.5 0 0.0 10 57
97 A 92 GLY G T T 3 TS- 0 0 58.9 37.4 -179.4 -49.3 128.9 28.0 0 0.0 0 0.0 0 0.0 0 0.0 9 45
98 A 93 GLY G T T 3 TS+ 0 0 83.4 -6.8 174.3 116.8 115.3 58.3 0 0.0 0 0.0 0 0.0 0 0.0 6 33
99 A 94 ILE I E E A I< T - 0 96 -97.2 136.6 179.1 -153.8 52.0 148.2 96 -1.7 96 -3.0 0 0.0 0 0.0 9 43
100 A 95 THR T E E A I + 0 95 -115.9 127.4 -179.9 171.2 18.7 164.9 0 0.0 0 0.0 0 0.0 0 0.0 8 43
101 A 96 VAL V E E A I - 0 94 -134.9 143.6 167.9 -126.5 37.1 169.9 94 -2.3 94 -3.6 0 0.0 103 -0.5 10 42
102 A 97 THR T E E A I + 0 93 -84.0 121.5 -172.1 179.4 47.6 147.9 0 0.0 0 0.0 0 0.0 0 0.0 9 45
103 A 99 GLN Q E E A I - 0 92 -137.2 139.3 171.6 -132.5 34.3 172.1 92 -3.3 92 -2.2 101 -0.5 0 0.0 12 55
104 A 100 MET M E E A I + 0 91 -84.4 131.2 -174.2 167.0 42.3 138.8 0 0.0 0 0.0 0 0.0 0 0.0 11 55
105 A 101 PHE F E E A I - 0 90 -143.8 165.3 179.3 -99.7 35.7 158.6 90 -2.8 90 -2.2 0 0.0 0 0.0 12 69
106 A 102 GLY G E E AgI - 42 89 -98.9 135.4 171.7 -151.7 16.0 145.0 41 -2.7 43 -2.3 0 0.0 108 -0.7 13 63
107 A 103 GLU E E E AgI - 43 88 -93.3 107.3 -176.6 -141.2 27.4 154.4 88 -3.2 88 -1.9 0 0.0 0 0.0 13 62
108 A 104 VAL V E E AgI + 44 87 -80.9 129.2 -177.5 170.5 30.7 131.9 43 -2.4 45 -2.5 106 -0.7 0 0.0 15 60
109 A 105 THR T E E A * S+ 0 0 -113.3 -6.6 179.6 51.3 70.2 66.1 86 -2.6 49 -0.8 0 0.0 0 0.0 14 46
110 A 106 GLU E E E A I + 0 86 -139.0 111.0 -171.4 166.0 61.9 163.4 86 -1.7 86 -1.9 0 0.0 0 0.0 10 46
111 A 107 MET M - 0 0 -138.7 99.5 -174.0 -132.1 30.9 153.3 0 0.0 54 -0.5 0 0.0 0 0.0 14 50
112 A 108 PRO P h > T - 0 0 -58.1 134.6 179.6 -136.9 8.7 104.0 0 0.0 116 -1.8 0 0.0 0 0.0 13 38
113 A 109 ALA A H H > TS+ 0 0 -59.8 -33.8 172.5 84.6 87.3 31.1 0 0.0 117 -2.9 0 0.0 0 0.0 10 32
114 A 110 LEU L H H 4 TS+ 0 0 -108.4 109.4 14.0 0.0 110.8 165.2 0 0.0 0 0.0 0 0.0 0 0.0 7 29
115 A 111 PRO P H H 4 > TS+ 0 0 -99.8 -2.9 -165.2 61.7 129.0 169.7 0 0.0 118 -1.6 0 0.0 0 0.0 9 35
116 A 112 PHE F H H < > TS+ 0 0 -66.5 -19.1 177.9 64.1 91.9 49.2 112 -1.8 119 -1.2 0 0.0 0 0.0 9 46
117 A 113 MET M T h < 3 TS+ 0 0 -72.6 -17.8 179.5 56.3 102.1 44.8 113 -2.9 0 0.0 0 0.0 0 0.0 10 29
118 A 114 LEU L T T < TS+ 0 0 -92.4 -0.4 178.9 101.9 87.4 58.6 115 -1.6 0 0.0 0 0.0 0 0.0 7 33
119 A 115 ALA A t < T - 0 0 -90.8 131.7 175.2 -166.9 50.5 131.7 116 -1.2 0 0.0 0 0.0 0 0.0 8 45
120 A 116 GLU E S S S+ 0 0 -79.8 -31.2 175.6 69.7 77.6 38.6 0 0.0 0 0.0 0 0.0 0 0.0 7 43
121 A 117 PHE F S S S- 0 0 -81.9 164.6 176.6 -142.9 74.7 110.2 0 0.0 0 0.0 0 0.0 0 0.0 11 54
122 A 118 ASP D - 0 0 -91.9 -47.6 -174.2 -16.6 68.3 36.9 31 -2.2 0 0.0 0 0.0 0 0.0 12 62
123 A 119 GLY G E E Ae - 32 0 -146.5 -159.4 -173.9 -90.8 64.3 133.6 31 -2.3 33 -2.1 0 0.0 0 0.0 12 71
124 A 120 VAL V E E AeF - 33 42 -133.5 140.1 173.3 -160.0 7.8 167.7 42 -2.0 42 -2.1 0 0.0 126 -0.6 12 73
125 A 121 VAL V E E AeF - 34 41 -115.6 100.8 -174.3 -144.0 26.9 157.4 33 -3.4 35 -2.3 0 0.0 0 0.0 13 70
126 A 122 GLY G E E Ae - 35 0 -72.6 135.0 -177.6 -171.7 15.9 124.4 40 -1.9 140 -0.6 124 -0.6 0 0.0 14 64
127 A 123 MET M e + 0 0 -106.7 16.1 -178.4 108.2 49.4 85.9 35 -3.1 0 0.0 0 0.0 0 0.0 14 67
128 A 124 GLY G S S S- 0 0 -85.2 -169.5 179.4 -80.1 73.6 91.2 38 -2.3 0 0.0 0 0.0 0 0.0 16 62
129 A 125 PHE F g > T - 0 0 -89.8 154.3 177.9 -110.0 37.6 127.8 0 0.0 132 -2.8 0 0.0 0 0.0 12 52
130 A 126 ILE I G G > TS+ 0 0 -54.7 -27.8 176.0 76.0 112.6 36.0 0 0.0 133 -1.8 0 0.0 0 0.0 11 38
131 A 127 GLU E G G 3 TS+ 0 0 -51.9 -31.4 -179.7 40.3 102.0 37.0 0 0.0 0 0.0 0 0.0 0 0.0 7 33
132 A 128 GLN Q G G < TS+ 0 0 -97.3 -2.9 -175.6 120.6 87.8 66.8 129 -2.8 0 0.0 0 0.0 0 0.0 11 42
133 A 129 ALA A g X T - 0 0 -67.6 134.4 176.5 -132.8 61.2 116.0 130 -1.8 136 -0.9 0 0.0 0 0.0 14 44
134 A 130 ILE I G G > TS+ 0 0 -86.4 128.4 -179.0 17.7 96.0 141.4 0 0.0 137 -0.6 0 0.0 0 0.0 10 44
135 A 131 GLY G G G 3 TS- 0 0 82.7 15.7 178.8 -93.8 117.5 50.3 0 0.0 0 0.0 0 0.0 0 0.0 5 37
136 A 132 ARG R G G < TS+ 0 0 57.1 3.4 179.5 161.1 75.5 62.1 133 -0.9 0 0.0 0 0.0 0 0.0 8 34
137 A 133 VAL V g < T - 0 0 -50.7 141.6 175.2 -103.7 47.0 100.5 134 -0.6 0 0.0 0 0.0 0 0.0 9 44
138 A 134 THR T - 0 0 -72.6 135.7 -178.9 -118.9 36.4 116.3 0 0.0 0 0.0 0 0.0 0 0.0 10 40
139 A 135 PRO P h > T - 0 0 -70.2 158.3 -177.2 -111.9 21.9 100.4 0 0.0 143 -1.6 0 0.0 0 0.0 16 54
140 A 136 ILE I H H > TS+ 0 0 -57.8 -46.1 -175.2 54.7 114.5 24.9 126 -0.6 144 -2.8 0 0.0 0 0.0 12 67
141 A 137 PHE F H H > TS+ 0 0 -60.5 -36.4 176.3 52.1 106.1 24.0 0 0.0 145 -2.6 0 0.0 0 0.0 7 69
142 A 138 ASP D H H > TS+ 0 0 -67.5 -35.4 177.9 48.8 109.8 26.5 0 0.0 146 -1.9 0 0.0 0 0.0 8 51
143 A 139 ASN N H H < TS+ 0 0 -69.5 -40.3 178.7 49.4 111.6 23.6 139 -1.6 0 0.0 0 0.0 0 0.0 12 44
144 A 140 ILE I H H < >>TS+ 0 0 -65.6 -36.1 178.7 51.7 109.6 27.9 140 -2.8 147 -0.9 0 0.0 149 -0.6 12 51
145 A 141 ILE I H H < >5TS+ 0 0 -64.7 -38.3 -174.0 64.1 100.2 21.0 141 -2.6 148 -2.8 0 0.0 0 0.0 10 41
146 A 142 SER S T h < 35TS+ 0 0 -60.2 -17.6 -178.6 66.7 92.2 47.4 142 -1.9 0 0.0 0 0.0 0 0.0 6 30
147 A 143 GLN Q T T <5TS- 0 0 -79.0 -16.5 -176.4 -136.9 96.2 54.3 144 -0.9 0 0.0 0 0.0 0 0.0 7 33
148 A 144 GLY G T T <5TS+ 0 0 63.0 31.9 178.8 111.6 71.4 37.6 145 -2.8 0 0.0 0 0.0 0 0.0 7 26
149 A 145 VAL V t T - 0 0 -115.7 107.9 -178.5 -161.4 13.9 158.6 0 0.0 180 -2.5 0 0.0 0 0.0 8 43
178 A 172 PRO P G G > TS+ 0 0 -62.2 -15.5 172.9 72.3 89.0 48.9 0 0.0 181 -0.7 0 0.0 0 0.0 6 34
179 A 173 GLN Q G G 3 TS+ 0 0 -66.0 -20.0 -175.6 49.3 100.3 43.2 0 0.0 0 0.0 0 0.0 0 0.0 5 30
180 A 174 HIS H G e < TS+ 0 0 -106.9 4.8 175.7 37.0 110.7 67.0 177 -2.5 335 -2.2 0 0.0 0 0.0 9 41
181 A 175 TYR Y E E AL < T - 334 0 -146.1 167.6 176.3 -153.6 59.6 161.9 178 -0.7 0 0.0 0 0.0 0 0.0 12 35
182 A 176 GLU E E E AL + 333 0 -142.8 161.5 -175.0 17.5 57.6 162.2 333 -2.6 333 -0.9 0 0.0 0 0.0 9 26
183 A 177 GLY G E E A* S- 0 0 74.6 -157.2 -178.0 -44.7 102.2 115.4 0 0.0 0 0.0 0 0.0 0 0.0 6 24
184 A 178 ASN N E E A* - 0 0 -115.0 158.7 173.9 -105.9 51.9 147.2 0 0.0 0 0.0 0 0.0 0 0.0 6 29
185 A 179 PHE F E E A* - 0 0 -70.3 146.3 173.8 -159.6 29.1 112.7 0 0.0 0 0.0 0 0.0 0 0.0 7 42
186 A 180 HIS H E E AL - 331 0 -125.8 130.3 -175.9 -145.3 16.8 173.0 331 -1.4 331 -2.0 0 0.0 0 0.0 9 37
187 A 181 TYR Y E E AL - 330 0 -113.6 152.8 172.6 -167.2 20.5 145.0 0 0.0 0 0.0 0 0.0 0 0.0 9 42
188 A 182 ILE I E E AL - 329 0 -123.5 124.1 -178.6 -129.8 28.0 171.8 329 -2.1 329 -2.3 0 0.0 0 0.0 11 46
189 A 183 ASN N E E AL - 328 0 -72.4 148.5 -179.7 -102.6 32.8 117.4 0 0.0 0 0.0 0 0.0 0 0.0 10 38
190 A 184 LEU L e - 0 0 -69.8 144.0 171.5 -130.3 15.7 120.6 327 -2.9 0 0.0 0 0.0 0 0.0 13 44
191 A 185 ILE I S S S- 0 0 -50.5 -45.8 177.5 -12.7 91.4 19.3 197 -2.0 0 0.0 0 0.0 0 0.0 7 38
192 A 186 LYS K S t > TS- 0 0 -147.8 162.6 165.6 -103.0 70.9 171.2 197 -0.5 195 -0.9 0 0.0 0 0.0 9 33
193 A 187 THR T T T 3 TS+ 0 0 -74.3 156.7 -176.3 56.2 101.7 109.1 0 0.0 0 0.0 0 0.0 0 0.0 8 37
194 A 188 GLY G T T 3 TS+ 0 0 99.5 -21.6 -179.4 52.3 107.0 80.9 0 0.0 0 0.0 0 0.0 0 0.0 9 44
195 A 189 VAL V S t < TS- 0 0 -152.6 133.5 -176.6 -132.8 73.2 172.1 192 -0.9 197 -1.9 0 0.0 0 0.0 12 55
196 A 190 TRP W e + 0 0 -82.5 60.2 -173.3 125.1 67.2 115.0 0 0.0 220 -2.6 0 0.0 0 0.0 15 63
197 A 191 GLN Q E E BM - 219 0 -128.9 132.7 -173.9 -171.1 37.9 167.4 195 -1.9 191 -2.0 0 0.0 192 -0.5 11 64
198 A 192 ILE I E E BM - 218 0 -121.8 167.0 174.7 -92.9 30.8 140.8 218 -3.1 218 -3.1 0 0.0 0 0.0 12 56
199 A 193 GLN Q E E BM - 217 0 -78.1 136.8 175.8 -155.2 34.3 126.1 0 0.0 0 0.0 0 0.0 0 0.0 13 47
200 A 194 MET M E E BM - 216 0 -118.0 127.2 -176.5 -156.3 6.6 162.4 216 -3.1 216 -1.6 0 0.0 0 0.0 13 54
201 A 195 LYS K - 0 0 -75.0 -24.9 177.9 -46.0 62.6 39.0 266 -2.8 215 -0.5 0 0.0 0 0.0 13 40
202 A 196 GLY G E E CN - 266 0 169.3 168.9 178.4 -112.8 44.9 158.2 266 -0.7 266 -2.8 0 0.0 0 0.0 14 42
203 A 197 VAL V E E CNO - 265 211 -131.5 122.6 179.1 -164.6 23.6 171.4 211 -2.5 211 -2.6 0 0.0 210 -1.5 13 54
204 A 198 SER S E E CNO - 264 209 -103.9 141.5 172.8 -159.9 11.6 148.7 264 -1.6 264 -2.2 0 0.0 206 -0.6 12 42
205 A 199 VAL V E E CNO> TS- 263 208 -117.7 95.3 -169.2 -29.6 88.6 159.6 208 -1.7 207 -1.1 0 0.0 208 -0.7 14 41
206 A 200 GLY G T e 3 TS- 0 0 94.6 -92.1 178.0 -41.2 127.6 141.1 262 -2.7 0 0.0 204 -0.6 0 0.0 8 34
207 A 201 SER S T T 3 TS+ 0 0 -140.1 -25.6 179.2 106.5 111.0 65.1 205 -1.1 209 -1.1 0 0.0 0 0.0 6 27
208 A 202 SER S E E CO < T - 205 0 -70.4 102.0 171.4 -145.9 64.1 124.1 205 -0.7 205 -1.7 0 0.0 210 -1.3 6 28
209 A 203 THR T E E CO + 204 0 -60.4 94.6 -178.1 148.9 45.4 121.8 207 -1.1 0 0.0 0 0.0 0 0.0 10 33
210 A 204 LEU L E E C* + 0 0 -111.4 -10.1 -176.1 53.9 50.6 52.8 203 -1.5 0 0.0 208 -1.3 0 0.0 8 33
211 A 205 LEU L E E CO S+ 203 0 -123.5 156.5 179.1 13.7 106.0 141.1 203 -2.6 203 -2.5 0 0.0 0 0.0 11 43
212 A 206 CYS C S t > TS+ 0 0 50.0 26.8 173.0 165.0 71.7 39.5 0 0.0 215 -2.2 0 0.0 0 0.0 11 40
213 A 207 GLU E T T 3 TS+ 0 0 -64.2 132.0 -174.7 30.8 71.7 124.1 0 0.0 0 0.0 0 0.0 0 0.0 9 30
214 A 208 ASP D T T 3 TS- 0 0 94.7 -9.3 175.5 -75.5 127.6 65.2 0 0.0 0 0.0 0 0.0 0 0.0 6 22
215 A 209 GLY G t < T - 0 0 101.8 155.7 -179.7 -173.2 49.8 93.1 212 -2.2 0 0.0 201 -0.5 0 0.0 9 34
216 A 210 CYS C E E BM - 200 0 -170.5 -178.6 -178.0 -85.9 27.8 158.3 200 -1.6 200 -3.1 0 0.0 0 0.0 11 44
217 A 211 LEU L E E BM - 199 0 -113.0 145.8 176.3 -164.4 23.6 153.8 0 0.0 308 -2.9 0 0.0 0 0.0 12 49
218 A 212 ALA A E E BMp - 198 308 -129.0 113.2 175.2 -158.2 6.4 165.5 198 -3.1 198 -3.1 0 0.0 0 0.0 12 70
219 A 213 LEU L E E BMp - 197 309 -85.9 123.0 -178.7 -142.8 16.1 142.9 308 -2.9 310 -3.3 0 0.0 221 -0.9 13 72
220 A 214 VAL V E E B p - 0 310 -93.9 101.4 -169.3 -178.2 30.1 151.3 196 -2.6 222 -0.6 0 0.0 0 0.0 12 75
221 A 215 ASP D e > T + 0 0 -118.4 104.6 -178.7 179.8 29.1 151.9 310 -1.6 224 -1.3 219 -0.9 0 0.0 13 73
222 A 216 THR T T T 3 TS+ 0 0 -74.1 -17.8 176.1 59.3 88.8 49.4 220 -0.6 0 0.0 0 0.0 0 0.0 14 67
223 A 217 GLY G T T 3 TS+ 0 0 -92.6 10.2 176.8 91.8 89.2 76.0 0 0.0 0 0.0 0 0.0 0 0.0 12 68
224 A 218 ALA A t < T - 0 0 -106.6 120.7 176.9 -157.8 61.7 156.6 221 -1.3 312 -3.3 0 0.0 0 0.0 12 63
225 A 219 SER S S S S+ 0 0 -60.9 -40.1 -173.7 31.6 74.7 32.8 0 0.0 313 -0.7 0 0.0 0 0.0 12 66
226 A 220 TYR Y S e S- 0 0 -115.0 178.5 170.2 -105.7 81.5 127.0 0 0.0 311 -1.1 0 0.0 0 0.0 14 57
227 A 221 ILE I E E BqR - 295 310 -96.5 135.0 -178.4 -179.7 50.4 149.4 294 -1.5 296 -2.8 0 0.0 0 0.0 15 66
228 A 222 SER S E E BqR + 296 309 -142.5 156.1 177.3 176.0 18.6 169.4 309 -2.7 309 -3.1 0 0.0 0 0.0 13 63
229 A 223 GLY G E E Bq - 297 0 -142.0 179.5 176.5 -55.9 48.3 147.6 296 -1.4 298 -3.1 0 0.0 0 0.0 14 62
230 A 224 SER S h > T - 0 0 -59.5 149.6 177.5 -109.5 52.1 102.2 0 0.0 234 -3.6 0 0.0 0 0.0 13 43
231 A 225 THR T H H > TS+ 0 0 -48.9 -41.5 -178.0 46.8 121.8 27.6 0 0.0 235 -2.7 0 0.0 0 0.0 9 35
232 A 226 SER S H H > TS+ 0 0 -73.1 -37.4 176.4 49.9 111.7 27.4 0 0.0 236 -1.8 0 0.0 0 0.0 7 30
233 A 227 SER S H H > TS+ 0 0 -57.8 -53.6 -175.8 45.9 114.0 9.2 0 0.0 237 -2.9 0 0.0 0 0.0 10 47
234 A 228 ILE I H H X TS+ 0 0 -58.3 -46.0 177.5 57.0 106.7 26.6 230 -3.6 238 -3.5 0 0.0 0 0.0 12 50
235 A 229 GLU E H H X TS+ 0 0 -54.0 -41.8 178.6 42.5 113.4 24.5 231 -2.7 239 -1.9 0 0.0 0 0.0 8 37
236 A 230 LYS K H H X TS+ 0 0 -69.9 -49.6 179.8 48.4 114.6 19.4 232 -1.8 240 -2.0 0 0.0 0 0.0 9 35
237 A 231 LEU L H H X TS+ 0 0 -50.3 -54.3 -178.7 45.1 115.8 14.2 233 -2.9 241 -1.3 0 0.0 0 0.0 10 51
238 A 232 MET M H H X >TS+ 0 0 -60.3 -38.1 179.5 63.6 103.5 32.4 234 -3.5 242 -2.4 0 0.0 243 -1.6 11 51
239 A 233 GLU E H H < >5TS+ 0 0 -50.4 -53.1 179.1 46.7 106.2 11.4 235 -1.9 242 -0.9 0 0.0 0 0.0 8 34
240 A 234 ALA A H H < 35TS+ 0 0 -58.7 -36.8 180.0 47.7 112.5 37.9 236 -2.0 0 0.0 0 0.0 0 0.0 8 36
241 A 235 LEU L H H < 35TS- 0 0 -81.5 -16.9 179.9 -129.8 104.9 41.7 237 -1.3 0 0.0 0 0.0 0 0.0 8 50
242 A 236 GLY G T h < <5T + 0 0 74.3 31.3 -179.5 153.6 53.7 37.0 238 -2.4 0 0.0 239 -0.9 0 0.0 7 36
243 A 237 ALA A t D T> T - 0 290 -72.8 128.2 -178.4 -121.7 42.7 133.0 0 0.0 256 -2.5 0 0.0 257 -1.2 12 34
254 A 249 CYS C T e 4 3 TS+ 0 0 -40.3 -40.5 -178.8 55.7 112.7 32.7 289 -2.9 0 0.0 0 0.0 0 0.0 15 32
255 A 250 ASN N T T 4 3 TS+ 0 0 -62.8 -28.6 -176.8 54.0 104.6 36.6 286 -1.0 0 0.0 0 0.0 0 0.0 9 29
256 A 251 GLU E T g 4 X TS+ 0 0 -76.8 -29.5 -177.5 83.4 88.8 41.0 253 -2.5 259 -1.3 0 0.0 0 0.0 10 36
257 A 252 GLY G G G < > TS+ 0 0 -45.8 -56.0 -177.1 53.3 82.5 28.1 253 -1.2 260 -1.8 0 0.0 0 0.0 14 41
258 A 253 PRO P G G 3 TS+ 0 0 -58.1 -22.8 -175.5 51.2 109.6 34.8 0 0.0 0 0.0 0 0.0 0 0.0 8 35
259 A 254 THR T G G < TS+ 0 0 -99.2 7.9 179.4 121.8 76.5 68.6 256 -1.3 0 0.0 0 0.0 0 0.0 6 33
260 A 255 LEU L g < T - 0 0 -66.0 152.3 179.3 -105.8 66.8 112.0 257 -1.8 0 0.0 0 0.0 0 0.0 9 44
261 A 256 PRO P - 0 0 -74.7 166.2 174.7 -92.3 36.2 105.4 0 0.0 0 0.0 0 0.0 0 0.0 9 37
262 A 257 ASP D e - 0 0 -70.8 159.3 173.6 -142.6 32.9 113.0 0 0.0 206 -2.7 0 0.0 0 0.0 10 40
263 A 258 ILE I E E CNU - 205 274 -126.9 120.2 -177.7 -160.6 16.8 177.7 274 -2.2 274 -2.8 0 0.0 0 0.0 11 57
264 A 259 SER S E E CNU - 204 273 -106.9 145.1 179.1 -156.4 9.2 145.6 204 -2.2 204 -1.6 0 0.0 266 -0.5 13 51
265 A 260 PHE F E E CNU - 203 272 -124.6 118.4 -177.9 -144.2 13.8 166.8 272 -1.7 272 -2.6 0 0.0 267 -1.0 12 62
266 A 261 HIS H E E CNU + 202 271 -86.1 100.8 -174.7 169.0 31.0 132.4 202 -2.8 201 -2.8 264 -0.5 202 -0.7 12 47
267 A 262 LEU L E E C U> T - 0 270 -125.6 124.8 175.1 -40.6 55.8 157.2 270 -2.0 270 -2.5 265 -1.0 0 0.0 12 51
268 A 263 GLY G T T 3 TS- 0 0 41.3 46.1 176.9 -35.6 122.5 29.1 0 0.0 0 0.0 0 0.0 0 0.0 10 37
269 A 264 GLY G T T 3 TS+ 0 0 110.0 -39.3 -179.2 76.5 121.8 74.2 0 0.0 0 0.0 0 0.0 0 0.0 5 29
270 A 265 LYS K E E CU < TS- 267 0 -119.7 152.3 174.6 -123.2 71.9 149.0 267 -2.5 267 -2.0 0 0.0 0 0.0 7 31
271 A 266 GLU E E E CU - 266 0 -94.9 129.7 -179.9 -150.4 19.5 146.0 0 0.0 273 -0.7 0 0.0 0 0.0 8 41
272 A 267 TYR Y E E CU - 265 0 -102.0 102.7 -174.1 -158.8 19.9 156.2 265 -2.6 265 -1.7 0 0.0 274 -0.5 8 53
273 A 268 THR T E E CU - 264 0 -99.1 129.7 175.3 -171.2 14.1 142.5 271 -0.7 0 0.0 0 0.0 0 0.0 8 44
274 A 269 LEU L E E CU - 263 0 -111.5 139.5 176.8 -153.2 9.9 153.8 263 -2.8 263 -2.2 272 -0.5 0 0.0 12 49
275 A 270 THR T h > > T - 0 0 -100.0 165.9 -177.5 -100.2 36.7 121.7 0 0.0 279 -1.0 0 0.0 278 -0.8 10 38
276 A 271 SER S H H > > TS+ 0 0 -60.5 -33.0 -179.4 61.6 123.5 32.0 0 0.0 280 -2.5 0 0.0 279 -0.5 12 47
277 A 272 ALA A H H 4 3 TS+ 0 0 -62.2 -26.3 176.6 51.7 104.0 33.0 0 0.0 0 0.0 0 0.0 0 0.0 10 39
278 A 273 ASP D H H 4 < TS+ 0 0 -80.8 -26.3 -175.7 27.7 121.3 42.2 275 -0.8 0 0.0 0 0.0 0 0.0 8 49
279 A 274 TYR Y H H < < TS+ 0 0 -121.0 -1.4 175.3 79.4 102.4 56.2 275 -1.0 294 -3.4 276 -0.5 0 0.0 11 60
280 A 275 VAL V B h < C TS- 293 0 -102.5 141.3 173.0 -134.5 71.2 149.4 276 -2.5 282 -1.6 0 0.0 0 0.0 11 56
281 A 276 PHE F - 0 0 -86.6 84.6 -177.2 -160.4 29.4 134.9 292 -3.0 283 -1.1 0 0.0 0 0.0 9 47
282 A 277 GLN Q + 0 0 -71.2 103.0 178.8 155.9 28.8 124.4 280 -1.6 0 0.0 0 0.0 0 0.0 11 38
283 A 278 GLU E - 0 0 -125.0 53.6 -179.7 -16.7 68.8 109.2 281 -1.1 0 0.0 0 0.0 0 0.0 6 31
284 A 279 SER S - 0 0 130.4 162.2 178.9 -119.6 57.5 114.5 0 0.0 0 0.0 0 0.0 0 0.0 8 24
285 A 279A TYR Y + 0 0 -115.1 21.7 -177.6 145.2 61.4 89.0 0 0.0 0 0.0 0 0.0 0 0.0 10 24
286 A 279B SER S t > T - 0 0 -73.7 144.1 172.4 -146.0 50.9 116.5 0 0.0 255 -1.0 0 0.0 289 -0.7 8 21
287 A 279C SER S T T 3 TS+ 0 0 -64.3 -36.7 -178.2 48.0 101.9 38.5 0 0.0 0 0.0 0 0.0 0 0.0 8 20
288 A 279D LYS K T T 3 TS+ 0 0 -110.5 48.7 -179.6 78.4 98.8 100.0 0 0.0 0 0.0 0 0.0 0 0.0 6 18
289 A 280 LYS K S e < TS- 0 0 -149.3 143.0 -177.7 -128.5 71.8 168.7 286 -0.7 254 -2.9 0 0.0 0 0.0 9 24
290 A 281 LEU L E E DT - 253 0 -101.4 147.0 -174.4 -155.2 16.1 142.0 0 0.0 0 0.0 0 0.0 0 0.0 8 33
291 A 282 CYS C E E DT - 252 0 -125.1 124.7 -177.5 -131.4 14.2 166.9 252 -2.7 252 -1.7 0 0.0 0 0.0 14 40
292 A 283 THR T E E DT - 251 0 -74.0 159.9 174.2 -134.4 12.4 112.3 0 0.0 281 -3.0 0 0.0 0 0.0 11 49
293 A 284 LEU L B e C - 280 0 -110.5 139.9 176.9 -140.0 8.5 147.9 250 -1.8 0 0.0 0 0.0 0 0.0 12 62
294 A 285 ALA A S e S+ 0 0 -89.1 35.8 172.7 89.8 82.0 89.3 279 -3.4 227 -1.5 0 0.0 0 0.0 11 58
295 A 286 ILE I E E Bq + 227 0 -126.7 123.6 -173.3 176.8 59.7 178.5 0 0.0 0 0.0 0 0.0 0 0.0 11 71
296 A 287 HIS H E E Bq - 228 0 -125.9 168.2 174.8 -111.4 31.6 148.3 227 -2.8 229 -1.4 0 0.0 0 0.0 13 56
297 A 288 ALA A E E Bq + 229 0 -100.9 136.8 177.0 162.3 39.2 143.1 0 0.0 0 0.0 0 0.0 0 0.0 11 48
298 A 289 MET M e - 0 0 -150.7 120.7 179.4 -149.4 28.2 155.0 229 -3.1 300 -0.9 0 0.0 0 0.0 9 48
299 A 290 ASP D - 0 0 -95.2 107.6 -176.6 -164.2 17.1 145.2 0 0.0 0 0.0 0 0.0 0 0.0 10 37
300 A 291 ILE I - 0 0 -91.4 132.7 -176.9 -119.8 21.6 140.5 298 -0.9 0 0.0 0 0.0 0 0.0 10 40
301 A 292 PRO P t > > T - 0 0 -76.2 151.4 171.2 -75.1 37.5 112.8 0 0.0 305 -2.5 0 0.0 304 -1.2 7 28
302 A 293 PRO P T T 4 3 TS+ 0 0 -62.8 153.3 7.2 54.0 108.9 111.8 0 0.0 0 0.0 0 0.0 0 0.0 6 24
303 A 294 PRO P T T 4 3 TS+ 0 0 -75.0 -19.6 -176.0 21.4 134.0 168.1 0 0.0 0 0.0 0 0.0 0 0.0 5 26
304 A 295 THR T T T 4 < TS+ 0 0 -76.3 -36.4 -177.5 106.2 116.1 26.3 301 -1.2 0 0.0 0 0.0 0 0.0 7 43
305 A 296 GLY G t < T + 0 0 -104.3 176.5 2.1 58.7 29.6 117.7 301 -2.5 0 0.0 0 0.0 0 0.0 9 40
306 A 297 PRO P S S S+ 0 0 -68.9 141.4 176.6 133.2 84.4 70.4 0 0.0 0 0.0 0 0.0 0 0.0 11 37
307 A 298 THR T - 0 0 -148.5 166.0 167.5 -114.6 58.4 167.9 0 0.0 0 0.0 0 0.0 0 0.0 13 52
308 A 299 TRP W E E Bp - 218 0 -89.4 149.2 171.7 -143.9 32.6 129.6 217 -2.9 219 -2.9 0 0.0 0 0.0 12 65
309 A 300 ALA A E E BpR - 219 228 -117.3 129.0 178.8 -157.0 5.5 171.8 228 -3.1 228 -2.7 0 0.0 311 -0.9 13 58
310 A 301 LEU L E E BpR + 220 227 -101.7 98.5 -179.8 155.8 31.3 149.2 219 -3.3 221 -1.6 0 0.0 0 0.0 16 73
311 A 302 GLY G h > > T - 0 0 -100.1 -145.3 -177.3 -36.2 59.9 83.2 226 -1.1 315 -1.9 309 -0.9 314 -1.3 15 67
312 A 303 ALA A H H > 3 TS+ 0 0 -52.4 -32.7 179.2 66.1 125.7 38.2 224 -3.3 316 -2.0 0 0.0 0 0.0 16 62
313 A 304 THR T H H 4 3 TS+ 0 0 -55.2 -40.5 -179.4 34.0 113.3 26.8 225 -0.7 0 0.0 0 0.0 0 0.0 14 63
314 A 305 PHE F H H > X TS+ 0 0 -79.6 -51.0 179.1 55.6 113.9 24.2 311 -1.3 318 -2.4 0 0.0 317 -1.3 11 67
315 A 306 ILE I H H < 3 TS+ 0 0 -58.3 -29.1 179.0 66.6 96.4 39.4 311 -1.9 159 -0.6 0 0.0 0 0.0 14 71
316 A 307 ARG R T h < 3 TS+ 0 0 -61.2 -33.1 -174.4 34.0 112.0 30.8 312 -2.0 0 0.0 0 0.0 0 0.0 12 62
317 A 308 LYS K T e 4 < TS+ 0 0 -94.4 -31.1 178.4 45.6 122.8 32.9 314 -1.3 334 -2.6 0 0.0 319 -0.6 10 55
318 A 309 PHE F E E T + 154 328 -93.3 105.2 177.1 169.8 21.8 143.2 328 -3.2 328 -1.9 321 -0.7 0 0.0 12 50
324 A 315 ARG R T e >5TS+ 0 0 -74.7 -59.7 -180.0 57.3 75.4 10.5 153 -1.5 327 -2.5 322 -0.9 0 0.0 8 51
325 A 316 ARG R T T 35TS+ 0 0 -37.8 -47.5 -173.6 24.1 123.3 37.6 153 -1.4 0 0.0 0 0.0 0 0.0 7 37
326 A 317 ASN N T T 35TS- 0 0 -108.9 13.3 -176.2 -120.6 103.7 76.8 0 0.0 0 0.0 0 0.0 0 0.0 6 30
327 A 318 ASN N T e <5TS+ 0 0 41.2 63.4 177.6 110.6 71.2 26.6 324 -2.5 190 -2.9 0 0.0 0 0.0 11 40
328 A 319 ARG R E E ALV 5555< 5-turns
3-turns >33< >33< >33<>33X>3<< >>3<< >33< >33< 3-turns
bridge-2 DD eeee ggg IIIIIIIIIII II bridge-2
bridge-1 a AAAAABBB BBBCCCCC CCCCC FF b b HH***HHHHHH HHHHHH*HH DD bridge-1
sheets AAAAAAAA AAAAAAAA AAAAAAAA AAAA AAAAAAAAAAA AAAAAAAAAAAAAA AA sheets
4-turns >444< >>44<< 4-turns
summary B EEEEEEEETTTEEEEEEEEeTTTEEEEEEEETTt eEEEEeTTttTThHHHHhS BgGGGgSS EEEEEEEEEEETTEEEEEEEEEEEEEETTEE summary
sequence GNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGIT sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEEEEEEE HHHHTT SS EEEE S GGG GGG HHHHHHTTT BSSSEEEEEE EEEEESS GGGEEEEEEEEE SSTTS EEEE Kabs/Sand
chirality -+-+---+++--++++++-+------+--+++-+-+---+++++++-++-+-+--------- ------++---+++-+----------++-+---- chirality
bends S SSSSSS SS S SSS SSS SSSSSSSSS SSS SSS SSS S SSSSS bends
turns TTTTTTTT TTTTTTTTT TTTTTTTTTTT TTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >>3<< >>33<< >>3<< >>3<< >33< 3-turns
bridge-2 IIIIIIII*I FF KKKKK KKKKK bridge-2
bridge-1 ggg eeee a JJJJ AAAAA LL***LLLL MMMM bridge-1
sheets AAAAAAAAAA AAAA AAAAAA AAAAA AAAAAAAAA BBBB sheets
4-turns >>44<< >>>><<<< 4-turns
summary EEEEEEEEEE hHHHHhTtSS EEEEeSgGGGgGGGg hHHHHHHhTTtBSSeEEEEEEe eEEEEEeS gGGeEEEEEEEEEeStTTteEEEE summary
sequence VTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQM sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEETTEEEESTT EEEEE TT SSEEE HHHHHHHHHHHT EE SS EEEETTTGGG EEEEETTEEEEE HHHHB TTSEEEBSEEE Kabs/Sand
chirality ------+-+++++-------+++-+--+--++++++++++-+--+-++-----++++++------+--+------++++--+--+-++-----++-+--- chirality
bends SSS SSSS SS SS SSSSSSSSSSS SS SSSSSS SSS SSSSS SSS S bends
turns TTTT TTTT TTTT TTTTTTTTTTTTTT TTTTTTTT TTTT TTTTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >33X>3<< >33< >>3<< >33< 3-turns
bridge-2 OOO ppp RR TTT UUUUU bridge-2
bridge-1 NNNN OO*O MMMM qqq SS SS NNNN UUUUU C TTTC qqq bridge-1
sheets CCCC CCCC BBBBB BBB DD DDDD CCCCC CCCCC DDD BBB sheets
4-turns >>>>XXXXX<<<< >444< >>44<< 4-turns
summary EEEEeTEEEEtTTtEEEEEeTTtSeEEEhHHHHHHHHHHHhtEEeSSeEEEEeTgGGGg eEEEEETTEEEEEhHHHHh tTTeEEEeeEEEe summary
sequence KGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDI sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand TTT S EEE HHHHTTEEEEEETTTTEEEEEEE Kabs/Sand
chirality -+++++---+-++++++-----+++-+---+-- chirality
bends SSS S SSSSSSS SSSS bends
turns TTTTT TTTTTTTT TTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33X33< >33< 3-turns
bridge-2 RR VVVVVV VVVVVV bridge-2
bridge-1 ppp JJJJ LLLL*LL bridge-1
sheets BBB AAAAAA AAAAAAA sheets
4-turns >444< >>4><<4< 4-turns
summary tTTTtS EEEhHHHHheEEEEEEeTTeEEEEEEEe summary
sequence PPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR sequence
310 320 330
Messages
chain break between 165(A 160A) and 166(A 160D)