Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4tti_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ILE 5.A O no hydrogen 3.119 N/A ALA 1.A N ALA 7.A O no hydrogen 3.247 N/A THR 2.A N ILE 5.A O no hydrogen 3.190 N/A THR 2.A OG1 ILE 5.A O no hydrogen 3.370 N/A THR 2.A OG1 GLU 75.A OE1 no hydrogen 2.707 N/A HIS 4.A N GLU 75.A OE1 no hydrogen 3.146 N/A HIS 4.A ND1 GLU 75.A OE2 no hydrogen 2.597 N/A ILE 5.A N THR 2.A O no hydrogen 3.409 N/A ASN 6.A N ASN 40.A OD1 no hydrogen 2.996 N/A ALA 7.A N ILE 5.A O no hydrogen 3.084 N/A GLU 8.A N ASP 11.A OD2 no hydrogen 3.018 N/A ASP 11.A N GLU 8.A O no hydrogen 2.953 N/A ALA 13.A N SER 58.A OG no hydrogen 2.891 N/A VAL 16.A N LYS 84.A O no hydrogen 2.978 N/A LEU 17.A N SER 58.A O no hydrogen 2.933 N/A MET 18.A N ILE 86.A O no hydrogen 2.801 N/A LEU 23.A N ASP 21.A OD1 no hydrogen 2.747 N/A ARG 24.A NE ALA 217.A O no hydrogen 2.915 N/A ARG 24.A NH1 VAL 88.A O no hydrogen 3.043 N/A ALA 25.A N ASP 21.A O no hydrogen 3.044 N/A LYS 26.A N PRO 22.A O no hydrogen 2.934 N/A LYS 26.A NZ GLU 30.A OE1 no hydrogen 3.266 N/A LYS 26.A NZ GLU 30.A OE2 no hydrogen 3.089 N/A TYR 27.A N LEU 23.A O no hydrogen 2.973 N/A ILE 28.A N ARG 24.A O no hydrogen 2.825 N/A ALA 29.A N ALA 25.A O no hydrogen 2.897 N/A GLU 30.A N LYS 26.A O no hydrogen 2.908 N/A THR 31.A N ILE 28.A O no hydrogen 3.212 N/A THR 31.A OG1 TYR 27.A O no hydrogen 2.819 N/A PHE 32.A N ILE 28.A O no hydrogen 2.770 N/A GLU 34.A N THR 51.A O no hydrogen 2.825 N/A ARG 37.A N THR 49.A O no hydrogen 2.857 N/A ARG 37.A NH1 ASP 11.A O no hydrogen 3.392 N/A ARG 37.A NH2 ASP 11.A OD1 no hydrogen 3.091 N/A VAL 39.A N GLY 47.A O no hydrogen 2.736 N/A ASN 40.A N GLY 47.A O no hydrogen 3.317 N/A ASN 40.A ND2 MET 45.A O no hydrogen 2.673 N/A VAL 42.A N ASN 40.A OD1 no hydrogen 3.287 N/A GLY 44.A N ASN 41.A O no hydrogen 2.741 N/A MET 45.A N VAL 42.A O no hydrogen 3.006 N/A GLY 47.A N ASN 40.A O no hydrogen 3.156 N/A PHE 48.A N VAL 59.A O no hydrogen 2.716 N/A THR 49.A N ARG 37.A O no hydrogen 2.912 N/A THR 49.A OG1 ASP 11.A O no hydrogen 2.551 N/A THR 49.A OG1 SER 58.A OG no hydrogen 2.655 N/A GLY 50.A N ILE 57.A O no hydrogen 2.904 N/A THR 51.A N GLU 34.A O no hydrogen 2.976 N/A THR 51.A OG1 GLU 34.A O no hydrogen 3.458 N/A TYR 52.A N ARG 55.A O no hydrogen 2.768 N/A TYR 52.A OH GLU 230.A OE2 no hydrogen 2.361 N/A LYS 53.A NZ TYR 52.A OH no hydrogen 3.547 N/A LYS 53.A NZ GLU 230.A OE2 no hydrogen 2.679 N/A ARG 55.A N TYR 52.A O no hydrogen 2.934 N/A ARG 55.A NE ASP 236.A OD2 no hydrogen 2.825 N/A ARG 55.A NH1 ASP 14.A OD1 no hydrogen 2.853 N/A ARG 55.A NH1 LYS 56.A O no hydrogen 2.796 N/A ARG 55.A NH2 ASP 14.A OD1 no hydrogen 3.010 N/A ARG 55.A NH2 ASP 236.A OD1 no hydrogen 3.058 N/A LYS 56.A NZ GLY 10.A O no hydrogen 2.763 N/A ILE 57.A N GLY 50.A O no hydrogen 2.900 N/A SER 58.A N VAL 15.A O no hydrogen 3.365 N/A SER 58.A OG THR 49.A OG1 no hydrogen 2.655 N/A VAL 59.A N PHE 48.A O no hydrogen 2.880 N/A MET 60.A N LEU 17.A O no hydrogen 2.938 N/A GLY 61.A N LEU 46.A O no hydrogen 3.056 N/A HIS 62.A N PRO 19.A O no hydrogen 2.878 N/A HIS 62.A ND1 GLY 63.A O no hydrogen 2.590 N/A GLY 63.A N GLY 20.A O no hydrogen 3.068 N/A GLY 65.A N GLU 181.A OE2 no hydrogen 2.867 N/A SER 68.A OG HIS 62.A O no hydrogen 2.846 N/A CYS 69.A N GLY 65.A O no hydrogen 3.180 N/A CYS 69.A SG GLY 65.A O no hydrogen 3.547 N/A CYS 69.A SG ILE 66.A O no hydrogen 3.467 N/A CYS 69.A SG GLU 181.A O no hydrogen 3.831 N/A SER 70.A N ILE 66.A O no hydrogen 2.933 N/A SER 70.A OG ILE 66.A O no hydrogen 2.630 N/A ILE 71.A N SER 68.A O no hydrogen 3.191 N/A TYR 72.A N SER 68.A O no hydrogen 3.500 N/A THR 73.A N CYS 69.A O no hydrogen 2.915 N/A THR 73.A OG1 CYS 69.A O no hydrogen 2.698 N/A THR 73.A OG1 SER 70.A O no hydrogen 3.488 N/A LYS 74.A N SER 70.A O no hydrogen 3.133 N/A LYS 74.A NZ THR 78.A OG1 no hydrogen 2.957 N/A GLU 75.A N ILE 71.A O no hydrogen 3.110 N/A LEU 76.A N TYR 72.A O no hydrogen 3.057 N/A ILE 77.A N THR 73.A O no hydrogen 3.102 N/A THR 78.A N LYS 74.A O no hydrogen 2.893 N/A THR 78.A OG1 LYS 74.A O no hydrogen 3.102 N/A THR 78.A OG1 ASP 79.A OD1 no hydrogen 2.772 N/A ASP 79.A N GLU 75.A O no hydrogen 2.950 N/A PHE 80.A N LEU 76.A O no hydrogen 3.061 N/A VAL 82.A N LEU 76.A O no hydrogen 3.169 N/A LYS 83.A N ASP 14.A O no hydrogen 2.833 N/A LYS 84.A N ASP 14.A O no hydrogen 3.109 N/A ILE 85.A N LYS 195.A O no hydrogen 2.929 N/A ILE 86.A N VAL 16.A O no hydrogen 2.971 N/A ARG 87.A N LEU 197.A O no hydrogen 2.830 N/A ARG 87.A NE GLU 179.A OE1 no hydrogen 3.044 N/A ARG 87.A NH1 HIS 62.A NE2 no hydrogen 3.014 N/A ARG 87.A NH2 GLU 179.A OE1 no hydrogen 3.326 N/A VAL 88.A N MET 18.A O no hydrogen 2.921 N/A GLY 89.A N ILE 199.A O no hydrogen 2.796 N/A CYS 91.A N THR 201.A O no hydrogen 3.007 N/A GLY 92.A N VAL 178.A O no hydrogen 2.895 N/A ALA 93.A N ALA 204.A O no hydrogen 2.813 N/A LYS 99.A N ASP 102.A OD2 no hydrogen 2.858 N/A ARG 101.A N VAL 202.A O no hydrogen 2.703 N/A ARG 101.A NH1.B THR 220.A O no hydrogen 3.258 N/A ARG 101.A NH1.B THR 220.A OG1 no hydrogen 3.229 N/A ARG 101.A NH2.B THR 220.A OG1 no hydrogen 2.707 N/A ASP 102.A N LYS 99.A O no hydrogen 3.053 N/A VAL 104.A N CYS 200.A O no hydrogen 2.998 N/A ILE 105.A N ARG 149.A O no hydrogen 2.739 N/A GLY 106.A N THR 198.A O no hydrogen 2.977 N/A MET 107.A N ILE 105.A O no hydrogen 3.244 N/A GLY 108.A N GLY 151.A O no hydrogen 3.406 N/A ALA 109.A N ALA 127.A O no hydrogen 2.809 N/A CYS 110.A N LEU 153.A O no hydrogen 2.866 N/A CYS 110.A SG LEU 153.A O no hydrogen 3.826 N/A THR 111.A OG1 SER 155.A O no hydrogen 2.781 N/A SER 113.A N THR 111.A OG1 no hydrogen 2.959 N/A VAL 115.A N SER 113.A OG no hydrogen 3.143 N/A ASN 116.A ND2 ALA 183.A O no hydrogen 3.511 N/A ILE 118.A N LYS 114.A O no hydrogen 2.969 N/A ARG 119.A N VAL 115.A O no hydrogen 3.077 N/A ARG 119.A NE GLU 191.A OE1 no hydrogen 2.722 N/A ARG 119.A NH1 ASN 116.A OD1 no hydrogen 2.964 N/A ARG 119.A NH2 GLU 191.A OE1 no hydrogen 3.417 N/A PHE 120.A N ARG 117.A O no hydrogen 3.242 N/A ASP 122.A N ARG 117.A O no hydrogen 2.764 N/A HIS 123.A N PHE 120.A O no hydrogen 2.981 N/A ALA 129.A N MET 107.A O no hydrogen 2.921 N/A ASP 130.A N ALA 196.A O no hydrogen 2.925 N/A MET 133.A N ASP 130.A OD2 no hydrogen 3.033 N/A VAL 134.A N ASP 130.A O no hydrogen 3.065 N/A ARG 135.A N PHE 131.A O no hydrogen 2.965 N/A ARG 135.A NH1.B ASP 132.A OD1 no hydrogen 2.709 N/A ARG 135.A NH2.B ASP 132.A OD1 no hydrogen 2.910 N/A ASN 136.A N ASP 132.A O no hydrogen 2.866 N/A ALA 137.A N MET 133.A O no hydrogen 3.078 N/A VAL 138.A N VAL 134.A O no hydrogen 2.976 N/A ASP 139.A N ARG 135.A O no hydrogen 2.895 N/A ALA 140.A N ASN 136.A O no hydrogen 2.887 N/A ALA 141.A N ALA 137.A O no hydrogen 2.881 N/A LYS 142.A N VAL 138.A O no hydrogen 2.995 N/A ALA 143.A N ASP 139.A O no hydrogen 3.035 N/A LEU 144.A N ALA 140.A O no hydrogen 2.985 N/A GLY 145.A N LYS 142.A O no hydrogen 2.909 N/A ILE 146.A N ALA 141.A O no hydrogen 2.816 N/A ARG 149.A N VAL 103.A O no hydrogen 3.238 N/A GLY 151.A N ILE 105.A O no hydrogen 2.953 N/A LEU 153.A N GLY 108.A O no hydrogen 3.000 N/A PHE 154.A N GLY 177.A O no hydrogen 2.787 N/A SER 155.A N CYS 110.A O no hydrogen 2.694 N/A SER 155.A OG GLU 179.A OE2 no hydrogen 2.568 N/A ALA 156.A N GLU 179.A O no hydrogen 2.689 N/A ASP 157.A N ASP 112.A OD1 no hydrogen 2.896 N/A ASP 163.A N SER 161.A OG no hydrogen 3.095 N/A MET 166.A N ASP 163.A O no hydrogen 3.035 N/A PHE 167.A N GLY 164.A O no hydrogen 3.088 N/A ASP 168.A N GLU 165.A O no hydrogen 3.030 N/A VAL 169.A N GLU 165.A O no hydrogen 3.390 N/A MET 170.A N MET 166.A O no hydrogen 2.820 N/A GLU 171.A N PHE 167.A O no hydrogen 3.071 N/A LYS 172.A N ASP 168.A O no hydrogen 2.920 N/A TYR 173.A N VAL 169.A O no hydrogen 3.116 N/A TYR 173.A N MET 170.A O no hydrogen 3.221 N/A GLY 174.A N GLU 171.A O no hydrogen 3.061 N/A ILE 175.A N MET 170.A O no hydrogen 2.989 N/A LEU 176.A N ASN 152.A O no hydrogen 2.846 N/A VAL 178.A N GLY 92.A O no hydrogen 2.770 N/A GLU 179.A N PHE 154.A O no hydrogen 2.847 N/A GLU 181.A N GLU 179.A OE1 no hydrogen 2.920 N/A ALA 182.A N GLU 179.A OE1 no hydrogen 2.807 N/A ALA 182.A N GLU 179.A OE2 no hydrogen 3.390 N/A ALA 183.A N SER 155.A OG no hydrogen 2.869 N/A GLY 184.A N GLU 181.A O no hydrogen 2.936 N/A ILE 185.A N GLU 181.A O no hydrogen 3.102 N/A TYR 186.A N ALA 182.A O no hydrogen 2.862 N/A TYR 186.A OH GLY 106.A O no hydrogen 2.478 N/A GLY 187.A N ALA 183.A O no hydrogen 3.011 N/A VAL 188.A N GLY 184.A O no hydrogen 2.949 N/A ALA 189.A N ILE 185.A O no hydrogen 2.914 N/A ALA 190.A N TYR 186.A O no hydrogen 3.197 N/A GLU 191.A N GLY 187.A O no hydrogen 2.868 N/A PHE 192.A N VAL 188.A O no hydrogen 2.883 N/A ALA 194.A N ALA 189.A O no hydrogen 2.824 N/A LYS 195.A N LYS 83.A O no hydrogen 2.998 N/A LEU 197.A N ILE 85.A O no hydrogen 3.013 N/A THR 198.A N TYR 186.A OH no hydrogen 2.752 N/A ILE 199.A N ARG 87.A O no hydrogen 2.781 N/A CYS 200.A N VAL 104.A O no hydrogen 2.957 N/A CYS 200.A SG SER 90.A O no hydrogen 3.804 N/A THR 201.A N GLY 89.A O no hydrogen 2.777 N/A VAL 202.A N ASP 102.A O no hydrogen 2.828 N/A SER 203.A N CYS 91.A O no hydrogen 2.845 N/A SER 203.A OG CYS 91.A O no hydrogen 3.418 N/A HIS 205.A N GLU 210.A O no hydrogen 2.784 N/A HIS 205.A NE2 LEU 95.A O no hydrogen 2.543 N/A ILE 206.A N ALA 93.A O no hydrogen 2.854 N/A ARG 207.A N HIS 205.A ND1 no hydrogen 3.348 N/A ARG 207.A NE VAL 94.A O no hydrogen 3.371 N/A ARG 207.A NE GLU 171.A OE1 no hydrogen 3.167 N/A ARG 207.A NH2 ASP 168.A OD1 no hydrogen 2.605 N/A ARG 207.A NH2 GLU 171.A OE1 no hydrogen 2.993 N/A HIS 209.A N HIS 205.A O no hydrogen 2.870 N/A GLU 210.A N THR 208.A OG1 no hydrogen 3.286 N/A THR 212.A N SER 203.A O no hydrogen 2.968 N/A THR 212.A OG1 SER 203.A O no hydrogen 3.535 N/A THR 213.A N GLU 216.A OE1 no hydrogen 2.957 N/A GLU 216.A N THR 213.A OG1 no hydrogen 2.983 N/A ALA 217.A N THR 213.A O no hydrogen 3.119 N/A GLN 218.A N ALA 214.A O no hydrogen 3.044 N/A THR 219.A N GLU 216.A O no hydrogen 3.393 N/A THR 219.A OG1 ALA 215.A O no hydrogen 2.988 N/A THR 220.A N GLU 216.A O no hydrogen 2.884 N/A THR 220.A OG1 GLU 216.A O no hydrogen 2.655 N/A ASN 222.A ND2 TYR 27.A OH no hydrogen 3.146 N/A LYS 226.A N ASN 222.A O no hydrogen 2.993 N/A ILE 227.A N ASP 223.A O no hydrogen 3.031 N/A ALA 228.A N MET 224.A O no hydrogen 2.889 N/A LEU 229.A N ILE 225.A O no hydrogen 2.903 N/A GLU 230.A N LYS 226.A O no hydrogen 2.931 N/A SER 231.A N ILE 227.A O no hydrogen 2.903 N/A SER 231.A OG ALA 228.A O no hydrogen 2.847 N/A VAL 232.A N ALA 228.A O no hydrogen 3.240 N/A LEU 233.A N LEU 229.A O no hydrogen 3.475 N/A LEU 234.A N GLU 230.A O no hydrogen 3.106 N/A GLY 235.A N SER 231.A O no hydrogen 2.948 N/A ASP 236.A N VAL 232.A O no hydrogen 2.922 N/A LYS 237.A N LEU 234.A O no hydrogen 2.927 N/A