Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pur_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N HIS 199.A O no hydrogen 3.029 N/A ILE 6.A N VAL 201.A O no hydrogen 2.913 N/A VAL 7.A N ALA 38.A O no hydrogen 3.058 N/A ALA 8.A N SER 203.A O no hydrogen 2.929 N/A ILE 9.A N VAL 40.A O no hydrogen 3.113 N/A VAL 10.A N ASN 207.A OD1 no hydrogen 3.110 N/A THR 11.A OG1 GLY 46.A O no hydrogen 2.650 N/A ASP 14.A N ASN 18.A O no hydrogen 2.836 N/A GLY 17.A N ASP 14.A O no hydrogen 3.069 N/A ASN 18.A N ASP 14.A OD1 no hydrogen 2.953 N/A CYS 20.A N PRO 12.A O no hydrogen 2.827 N/A CYS 20.A SG SER 23.A OG no hydrogen 3.157 N/A LEU 24.A N CYS 20.A O no hydrogen 2.964 N/A LYS 25.A N ARG 21.A O no hydrogen 2.834 N/A LYS 26.A N ALA 22.A O no hydrogen 3.097 N/A LYS 26.A NZ GLY 259.A O no hydrogen 2.541 N/A LEU 27.A N SER 23.A O no hydrogen 2.938 N/A ILE 28.A N LEU 24.A O no hydrogen 2.889 N/A ASP 29.A N LYS 25.A O no hydrogen 2.916 N/A TYR 30.A N LYS 26.A O no hydrogen 2.978 N/A HIS 31.A N LEU 27.A O no hydrogen 2.925 N/A HIS 31.A ND1 THR 36.A OG1 no hydrogen 2.777 N/A VAL 32.A N ILE 28.A O no hydrogen 2.941 N/A ALA 33.A N ASP 29.A O no hydrogen 2.858 N/A SER 34.A N HIS 31.A O no hydrogen 3.220 N/A SER 34.A OG TYR 30.A O no hydrogen 2.752 N/A GLY 35.A N VAL 32.A O no hydrogen 3.403 N/A THR 36.A N HIS 31.A O no hydrogen 3.148 N/A THR 36.A OG1 HIS 31.A ND1 no hydrogen 2.777 N/A SER 37.A N SER 5.A O no hydrogen 2.733 N/A SER 37.A OG THR 3.A O no hydrogen 3.236 N/A ILE 39.A N PRO 72.A O no hydrogen 2.930 N/A VAL 40.A N VAL 7.A O no hydrogen 2.707 N/A SER 41.A N ILE 74.A O no hydrogen 2.736 N/A SER 44.A OG TYR 133.A OH no hydrogen 2.824 N/A THR 45.A OG1 ASN 247.A OD1 no hydrogen 3.014 N/A GLY 46.A N GLY 43.A O no hydrogen 3.080 N/A GLU 47.A N SER 44.A O no hydrogen 3.006 N/A SER 48.A N GLY 43.A O no hydrogen 3.265 N/A SER 48.A OG GLY 43.A O no hydrogen 3.430 N/A THR 50.A N GLU 47.A O no hydrogen 3.072 N/A THR 50.A OG1 GLU 47.A O no hydrogen 3.540 N/A LEU 51.A N GLU 47.A O no hydrogen 3.290 N/A ASN 52.A N GLU 55.A OE1 no hydrogen 3.040 N/A GLU 55.A N ASN 52.A OD1 no hydrogen 2.769 N/A HIS 56.A N ASN 52.A O no hydrogen 2.835 N/A HIS 56.A NE2 GLY 76.A O no hydrogen 2.655 N/A ALA 57.A N HIS 53.A O no hydrogen 2.955 N/A ASP 58.A N ASP 54.A O no hydrogen 2.940 N/A VAL 59.A N GLU 55.A O no hydrogen 3.002 N/A VAL 60.A N HIS 56.A O no hydrogen 2.914 N/A MET 61.A N ALA 57.A O no hydrogen 2.926 N/A MET 62.A N ASP 58.A O no hydrogen 2.970 N/A THR 63.A N VAL 59.A O no hydrogen 2.898 N/A THR 63.A OG1 VAL 59.A O no hydrogen 2.824 N/A LEU 64.A N VAL 60.A O no hydrogen 2.952 N/A ASP 65.A N MET 61.A O no hydrogen 2.949 N/A LEU 66.A N MET 62.A O no hydrogen 2.938 N/A ALA 67.A N THR 63.A O no hydrogen 2.826 N/A ASP 68.A N LEU 64.A O no hydrogen 3.147 N/A ARG 70.A N ALA 67.A O no hydrogen 2.876 N/A ARG 70.A NE ALA 67.A O no hydrogen 2.955 N/A ARG 70.A NH1 ASP 29.A OD1 no hydrogen 2.925 N/A ARG 70.A NH2 ASP 29.A OD1 no hydrogen 2.923 N/A ARG 70.A NH2 LEU 66.A O no hydrogen 2.906 N/A ILE 74.A N ILE 39.A O no hydrogen 2.766 N/A ALA 75.A N GLY 99.A O no hydrogen 2.990 N/A GLY 76.A N SER 41.A O no hydrogen 2.795 N/A THR 77.A N LEU 101.A O no hydrogen 2.887 N/A THR 77.A OG1 LEU 101.A O no hydrogen 3.430 N/A ASN 80.A N TYR 106.A OH no hydrogen 3.331 N/A ASN 80.A ND2 TYR 106.A O no hydrogen 2.941 N/A THR 82.A OG1 HIS 118.A ND1 no hydrogen 2.682 N/A ALA 85.A N ALA 81.A O no hydrogen 2.942 N/A ILE 86.A N THR 82.A O no hydrogen 2.922 N/A SER 87.A N ALA 83.A O no hydrogen 2.974 N/A LEU 88.A N GLU 84.A O no hydrogen 2.903 N/A THR 89.A N ALA 85.A O no hydrogen 2.974 N/A THR 89.A OG1 ALA 85.A O no hydrogen 2.783 N/A GLN 90.A N ILE 86.A O no hydrogen 2.971 N/A ARG 91.A N SER 87.A O no hydrogen 3.310 N/A ARG 91.A N LEU 88.A O no hydrogen 3.161 N/A ARG 91.A NH1 ASP 54.A OD1 no hydrogen 2.852 N/A ARG 91.A NH2 ASP 54.A OD1 no hydrogen 3.063 N/A PHE 92.A N THR 89.A O no hydrogen 2.985 N/A ASN 93.A N GLN 90.A O no hydrogen 3.167 N/A ASN 93.A ND2 HIS 125.A O no hydrogen 3.324 N/A SER 95.A OG PHE 92.A O no hydrogen 2.761 N/A ILE 97.A N SER 95.A OG no hydrogen 3.107 N/A VAL 98.A N VAL 73.A O no hydrogen 2.981 N/A CYS 100.A N PRO 129.A O no hydrogen 2.818 N/A LEU 101.A N ALA 75.A O no hydrogen 2.943 N/A THR 102.A N ILE 131.A O no hydrogen 2.952 N/A THR 104.A N TYR 133.A O no hydrogen 2.945 N/A TYR 107.A N THR 139.A O no hydrogen 3.067 N/A ASN 108.A N TYR 106.A O no hydrogen 2.842 N/A ASN 108.A ND2 ASN 80.A O no hydrogen 3.036 N/A ARG 109.A NE GLY 140.A O no hydrogen 2.810 N/A GLN 112.A NE2 ASP 142.A O no hydrogen 2.860 N/A GLY 114.A N SER 111.A OG no hydrogen 2.908 N/A LEU 115.A N SER 111.A O no hydrogen 2.854 N/A TYR 116.A N GLN 112.A O no hydrogen 2.931 N/A GLN 117.A N GLU 113.A O no hydrogen 2.915 N/A GLN 117.A NE2 GLU 113.A OE2 no hydrogen 2.859 N/A HIS 118.A N GLY 114.A O no hydrogen 2.857 N/A HIS 118.A ND1 THR 82.A OG1 no hydrogen 2.682 N/A PHE 119.A N LEU 115.A O no hydrogen 2.976 N/A LYS 120.A N TYR 116.A O no hydrogen 2.856 N/A ALA 121.A N GLN 117.A O no hydrogen 2.966 N/A ILE 122.A N HIS 118.A O no hydrogen 3.133 N/A ALA 123.A N PHE 119.A O no hydrogen 2.955 N/A GLU 124.A N LYS 120.A O no hydrogen 3.001 N/A HIS 125.A N ILE 122.A O no hydrogen 3.045 N/A HIS 125.A ND1 ALA 121.A O no hydrogen 2.723 N/A THR 126.A N ALA 123.A O no hydrogen 3.358 N/A THR 126.A OG1 ASN 93.A OD1 no hydrogen 2.747 N/A LEU 128.A N THR 126.A OG1 no hydrogen 2.931 N/A GLN 130.A N ASN 156.A O no hydrogen 2.673 N/A GLN 130.A NE2 LEU 128.A O no hydrogen 3.047 N/A ILE 131.A N CYS 100.A O no hydrogen 2.797 N/A LEU 132.A N GLY 159.A O no hydrogen 2.899 N/A TYR 133.A OH SER 44.A OG no hydrogen 2.824 N/A ASN 134.A ND2 ASP 142.A OD1 no hydrogen 2.824 N/A ASN 134.A ND2 GLU 161.A OE2 no hydrogen 2.923 N/A ARG 138.A N VAL 135.A O no hydrogen 2.996 N/A THR 139.A N VAL 135.A O no hydrogen 3.150 N/A THR 139.A OG1 VAL 135.A O no hydrogen 3.221 N/A THR 139.A OG1 CYS 141.A O no hydrogen 3.000 N/A GLY 140.A N PRO 136.A O no hydrogen 2.930 N/A CYS 141.A N THR 139.A OG1 no hydrogen 3.004 N/A CYS 141.A SG PRO 105.A O no hydrogen 3.612 N/A LEU 143.A N ASN 134.A OD1 no hydrogen 2.790 N/A LEU 144.A N GLN 112.A OE1 no hydrogen 3.012 N/A THR 147.A OG1 GLN 112.A OE1 no hydrogen 2.973 N/A VAL 148.A N LEU 144.A O no hydrogen 3.059 N/A GLY 149.A N PRO 145.A O no hydrogen 2.872 N/A ARG 150.A N GLU 146.A O no hydrogen 3.069 N/A ARG 150.A NH1 GLU 113.A OE1 no hydrogen 2.779 N/A ARG 150.A NH2 GLU 113.A OE1 no hydrogen 3.535 N/A LEU 151.A N THR 147.A O no hydrogen 2.891 N/A ALA 152.A N VAL 148.A O no hydrogen 2.822 N/A LYS 153.A N ARG 150.A O no hydrogen 3.300 N/A VAL 154.A N LEU 151.A O no hydrogen 2.994 N/A ASN 156.A ND2 ALA 123.A O no hydrogen 2.920 N/A ASN 156.A ND2 LEU 128.A O no hydrogen 3.128 N/A ILE 157.A N VAL 154.A O no hydrogen 3.115 N/A ILE 158.A N GLN 130.A O no hydrogen 2.941 N/A ILE 160.A N VAL 181.A O no hydrogen 2.934 N/A ALA 162.A N ASN 134.A O no hydrogen 2.865 N/A THR 163.A N GLU 161.A OE1 no hydrogen 3.008 N/A THR 163.A OG1 GLU 161.A OE1 no hydrogen 2.546 N/A ASN 165.A N THR 163.A OG1 no hydrogen 2.986 N/A THR 167.A N ASN 165.A OD1 no hydrogen 3.158 N/A THR 167.A OG1 ASN 165.A OD1 no hydrogen 2.665 N/A ARG 168.A N ASN 165.A O no hydrogen 3.132 N/A ARG 168.A NH1 ASP 142.A OD1 no hydrogen 2.823 N/A ARG 168.A NH2 ASP 142.A OD2 no hydrogen 2.846 N/A VAL 169.A N LEU 166.A O no hydrogen 3.216 N/A ASN 170.A ND2 LEU 196.A O no hydrogen 3.465 N/A GLN 171.A N THR 167.A O no hydrogen 3.399 N/A ILE 172.A N ARG 168.A O no hydrogen 2.885 N/A LYS 173.A N VAL 169.A O no hydrogen 2.886 N/A GLU 174.A N ASN 170.A O no hydrogen 3.136 N/A LEU 175.A N ILE 172.A O no hydrogen 2.939 N/A VAL 176.A N LYS 173.A O no hydrogen 3.440 N/A SER 177.A OG ASP 179.A OD1 no hydrogen 2.751 N/A PHE 180.A N SER 177.A O no hydrogen 3.008 N/A VAL 181.A N ILE 158.A O no hydrogen 3.008 N/A LEU 182.A N HIS 199.A ND1 no hydrogen 2.959 N/A LEU 183.A N ILE 160.A O no hydrogen 2.796 N/A SER 184.A N GLY 200.A O no hydrogen 2.954 N/A SER 184.A OG ASP 186.A O no hydrogen 3.118 N/A GLY 185.A N GLU 161.A O no hydrogen 2.946 N/A ASP 186.A N SER 184.A OG no hydrogen 2.946 N/A SER 189.A N ASP 186.A O no hydrogen 3.090 N/A SER 189.A OG ASP 186.A O no hydrogen 3.530 N/A SER 189.A OG ASP 186.A OD2 no hydrogen 2.599 N/A ALA 190.A N ASP 187.A O no hydrogen 3.260 N/A PHE 193.A N SER 189.A O no hydrogen 2.793 N/A MET 194.A N ALA 190.A O no hydrogen 2.835 N/A GLN 195.A N LEU 191.A O no hydrogen 2.777 N/A LEU 196.A N ASP 192.A O no hydrogen 2.998 N/A GLY 197.A N MET 194.A O no hydrogen 2.976 N/A GLY 198.A N PHE 193.A O no hydrogen 3.021 N/A HIS 199.A N LEU 182.A O no hydrogen 2.703 N/A VAL 201.A N GLY 4.A O no hydrogen 3.103 N/A ILE 202.A N SER 184.A O no hydrogen 2.793 N/A SER 203.A N ILE 6.A O no hydrogen 2.772 N/A SER 203.A OG ASP 187.A OD1 no hydrogen 2.591 N/A SER 203.A OG ASP 187.A OD2 no hydrogen 3.538 N/A VAL 204.A N ASP 187.A OD2 no hydrogen 2.857 N/A THR 205.A N ASP 187.A OD2 no hydrogen 3.037 N/A THR 205.A OG1 HIS 239.A ND1 no hydrogen 2.748 N/A ALA 206.A N SER 203.A OG no hydrogen 2.923 N/A ASN 207.A N VAL 204.A O no hydrogen 2.975 N/A ASN 207.A ND2 ALA 8.A O no hydrogen 2.859 N/A ASN 207.A ND2 VAL 204.A O no hydrogen 3.016 N/A VAL 208.A N THR 205.A O no hydrogen 3.057 N/A ALA 209.A N THR 205.A O no hydrogen 2.949 N/A ALA 210.A N TYR 30.A OH no hydrogen 2.910 N/A MET 213.A N ALA 209.A O no hydrogen 2.945 N/A ALA 214.A N ALA 210.A O no hydrogen 2.918 N/A GLN 215.A N ARG 211.A O no hydrogen 2.982 N/A MET 216.A N ASP 212.A O no hydrogen 2.731 N/A CYS 217.A N MET 213.A O no hydrogen 3.040 N/A CYS 217.A SG MET 213.A O no hydrogen 3.377 N/A LYS 218.A N ALA 214.A O no hydrogen 2.968 N/A LEU 219.A N GLN 215.A O no hydrogen 2.998 N/A ALA 220.A N MET 216.A O no hydrogen 2.971 N/A ALA 221.A N CYS 217.A O no hydrogen 2.942 N/A GLU 222.A N LYS 218.A O no hydrogen 3.037 N/A GLU 222.A N LEU 219.A O no hydrogen 3.052 N/A GLY 223.A N ALA 220.A O no hydrogen 2.908 N/A HIS 224.A N LEU 219.A O no hydrogen 2.884 N/A ALA 228.A N HIS 224.A O no hydrogen 2.951 N/A ARG 229.A N PHE 225.A O no hydrogen 2.773 N/A ARG 229.A NH1.B ASP 192.A OD1 no hydrogen 3.269 N/A VAL 230.A N ALA 226.A O no hydrogen 3.261 N/A VAL 230.A N GLU 227.A O no hydrogen 3.260 N/A ASN 232.A N ALA 228.A O no hydrogen 2.840 N/A GLN 233.A N ARG 229.A O no hydrogen 2.789 N/A ARG 234.A N VAL 230.A O no hydrogen 3.276 N/A ARG 234.A NH2 ASP 212.A OD1 no hydrogen 2.840 N/A LEU 235.A N ILE 231.A O no hydrogen 3.009 N/A HIS 239.A N LEU 235.A O no hydrogen 2.927 N/A HIS 239.A ND1 THR 205.A OG1 no hydrogen 2.748 N/A ASN 240.A N MET 236.A O no hydrogen 3.006 N/A LYS 241.A N PRO 237.A O no hydrogen 2.733 N/A LEU 242.A N LEU 238.A O no hydrogen 2.947 N/A PHE 243.A N ASN 240.A O no hydrogen 3.095 N/A VAL 244.A N LYS 241.A O no hydrogen 2.867 N/A ILE 249.A N PRO 246.A O no hydrogen 2.865 N/A LYS 252.A N PRO 248.A O no hydrogen 2.922 N/A LYS 252.A NZ THR 11.A O no hydrogen 2.841 N/A LYS 252.A NZ GLU 47.A OE1 no hydrogen 2.594 N/A LYS 252.A NZ THR 265.A O no hydrogen 2.785 N/A TRP 253.A N ILE 249.A O no hydrogen 3.236 N/A ALA 254.A N PRO 250.A O no hydrogen 2.862 N/A CYS 255.A N VAL 251.A O no hydrogen 2.827 N/A CYS 255.A SG VAL 251.A O no hydrogen 3.287 N/A LYS 256.A N LYS 252.A O no hydrogen 3.005 N/A GLU 257.A N TRP 253.A O no hydrogen 2.878 N/A LEU 258.A N ALA 254.A O no hydrogen 2.909 N/A GLY 259.A N LYS 256.A O no hydrogen 3.006 N/A LEU 260.A N CYS 255.A O no hydrogen 2.810 N/A ALA 262.A N SER 23.A OG no hydrogen 2.912 N/A THR 263.A OG1 MET 13.A O no hydrogen 2.706 N/A THR 263.A OG1 THR 265.A OG1 no hydrogen 2.815 N/A THR 265.A N THR 263.A OG1 no hydrogen 3.120 N/A THR 265.A OG1 ASP 14.A O no hydrogen 3.373 N/A THR 265.A OG1 THR 263.A OG1 no hydrogen 2.815 N/A ARG 267.A N GLU 47.A OE2 no hydrogen 3.085 N/A ARG 267.A NE GLY 17.A O no hydrogen 2.807 N/A ARG 267.A NH1 THR 50.A O no hydrogen 2.908 N/A ARG 267.A NH1 GLU 55.A OE1 no hydrogen 2.801 N/A ARG 267.A NH1 GLU 55.A OE2 no hydrogen 3.405 N/A ARG 267.A NH2 GLY 17.A O no hydrogen 2.956 N/A ARG 267.A NH2 GLU 55.A OE2 no hydrogen 2.961 N/A MET 270.A N ARG 267.A O no hydrogen 2.989 N/A THR 274.A N GLU 245.A OE1 no hydrogen 3.008 N/A THR 274.A OG1 GLU 245.A OE2 no hydrogen 2.528 N/A GLY 277.A N THR 274.A OG1 no hydrogen 2.967 N/A ARG 278.A N THR 274.A O no hydrogen 2.856 N/A GLU 279.A N ASP 275.A O no hydrogen 3.259 N/A THR 280.A N SER 276.A O no hydrogen 3.029 N/A THR 280.A OG1 SER 276.A O no hydrogen 3.093 N/A VAL 281.A N GLY 277.A O no hydrogen 2.960 N/A ARG 282.A N ARG 278.A O no hydrogen 2.805 N/A ARG 282.A NE GLU 279.A OE1 no hydrogen 3.080 N/A ARG 282.A NH1 GLU 279.A OE2 no hydrogen 3.141 N/A ALA 283.A N GLU 279.A O no hydrogen 2.920 N/A ALA 284.A N THR 280.A O no hydrogen 3.109 N/A LEU 285.A N VAL 281.A O no hydrogen 2.881 N/A LYS 286.A N ARG 282.A O no hydrogen 2.909 N/A HIS 287.A N ALA 283.A O no hydrogen 2.942 N/A HIS 287.A ND1 ARG 234.A O no hydrogen 2.952 N/A ALA 288.A N ALA 284.A O no hydrogen 3.044 N/A GLY 289.A N LYS 286.A O no hydrogen 2.885 N/A LEU 290.A N LEU 285.A O no hydrogen 3.033 N/A