Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1crx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N SER 1.A O no hydrogen 3.215 N/A LYS 6.A N ASP 2.A O no hydrogen 2.924 N/A LYS 6.A NZ ASP 10.A OD1 no hydrogen 2.695 N/A LYS 6.A NZ ASP 10.A OD2 no hydrogen 3.532 N/A ASN 7.A N GLU 3.A O no hydrogen 3.095 N/A LEU 8.A N VAL 4.A O no hydrogen 2.856 N/A MET 9.A N ARG 5.A O no hydrogen 3.209 N/A ASP 10.A N LYS 6.A O no hydrogen 2.941 N/A MET 11.A N ASN 7.A O no hydrogen 3.354 N/A PHE 12.A N LEU 8.A O no hydrogen 3.254 N/A ARG 13.A N MET 9.A O no hydrogen 3.090 N/A ASP 14.A N ASP 10.A O no hydrogen 2.944 N/A ARG 15.A NH1 PHE 12.A O no hydrogen 2.750 N/A ALA 17.A N ASP 14.A O no hydrogen 3.008 N/A PHE 18.A N ARG 15.A O no hydrogen 3.307 N/A SER 19.A OG THR 22.A OG1 no hydrogen 2.816 N/A THR 22.A N SER 19.A O no hydrogen 2.887 N/A THR 22.A OG1 SER 19.A OG no hydrogen 2.816 N/A TRP 23.A N SER 19.A O no hydrogen 3.219 N/A TRP 23.A NE1 ARG 15.A O no hydrogen 2.628 N/A LYS 24.A N GLU 20.A O no hydrogen 2.958 N/A MET 25.A N HIS 21.A O no hydrogen 3.198 N/A LEU 26.A N THR 22.A O no hydrogen 2.841 N/A LEU 27.A N TRP 23.A O no hydrogen 2.833 N/A SER 28.A N LYS 24.A O no hydrogen 3.232 N/A VAL 29.A N MET 25.A O no hydrogen 3.342 N/A VAL 29.A N LEU 26.A O no hydrogen 3.072 N/A CYS 30.A N LEU 26.A O no hydrogen 3.204 N/A CYS 30.A SG LEU 26.A O no hydrogen 3.429 N/A ARG 31.A N LEU 27.A O no hydrogen 3.073 N/A SER 32.A N SER 28.A O no hydrogen 3.145 N/A SER 32.A OG TYR 55.A OH no hydrogen 2.474 N/A TRP 33.A N VAL 29.A O no hydrogen 2.664 N/A TRP 33.A NE1 TRP 44.A O no hydrogen 2.674 N/A ALA 34.A N CYS 30.A O no hydrogen 2.640 N/A ALA 35.A N ARG 31.A O no hydrogen 2.993 N/A TRP 36.A N SER 32.A O no hydrogen 2.979 N/A CYS 37.A N TRP 33.A O no hydrogen 2.821 N/A LYS 38.A N ALA 34.A O no hydrogen 2.957 N/A LEU 39.A N ALA 35.A O no hydrogen 3.157 N/A ASN 40.A N TRP 36.A O no hydrogen 2.975 N/A ASN 40.A ND2 TRP 36.A O no hydrogen 2.787 N/A ASN 41.A N LYS 38.A O no hydrogen 3.388 N/A ARG 42.A N CYS 37.A O no hydrogen 3.013 N/A ARG 42.A NE ASP 51.A OD1 no hydrogen 3.309 N/A ARG 42.A NH1 ASN 40.A O no hydrogen 3.387 N/A LYS 43.A NZ ASP 51.A OD2 no hydrogen 3.045 N/A ALA 47.A N HIS 80.A NE2 no hydrogen 2.988 N/A VAL 52.A N GLU 48.A O no hydrogen 2.885 N/A ARG 53.A N PRO 49.A O no hydrogen 2.737 N/A ASP 54.A N GLU 50.A O no hydrogen 2.745 N/A TYR 55.A N ASP 51.A O no hydrogen 2.906 N/A TYR 55.A OH SER 32.A OG no hydrogen 2.474 N/A TYR 55.A OH HIS 72.A ND1 no hydrogen 2.712 N/A LEU 56.A N VAL 52.A O no hydrogen 2.882 N/A LEU 57.A N ARG 53.A O no hydrogen 3.163 N/A TYR 58.A N ASP 54.A O no hydrogen 3.196 N/A LEU 59.A N TYR 55.A O no hydrogen 2.887 N/A GLN 60.A N LEU 56.A O no hydrogen 3.062 N/A GLN 60.A NE2 GLU 104.A OE1 no hydrogen 2.799 N/A GLN 60.A NE2 ASN 105.A OD1 no hydrogen 3.125 N/A ALA 61.A N LEU 57.A O no hydrogen 2.924 N/A ARG 62.A N TYR 58.A O no hydrogen 2.798 N/A GLY 63.A N GLN 60.A O no hydrogen 2.851 N/A LEU 64.A N LEU 59.A O no hydrogen 3.177 N/A VAL 66.A N GLU 110.A OE1 no hydrogen 3.152 N/A VAL 66.A N GLU 110.A OE2 no hydrogen 2.910 N/A ILE 69.A N ALA 65.A O no hydrogen 2.963 N/A GLN 70.A N VAL 66.A O no hydrogen 2.877 N/A GLN 70.A NE2 VAL 66.A O no hydrogen 2.984 N/A GLN 71.A N LYS 67.A O no hydrogen 2.863 N/A HIS 72.A N THR 68.A O no hydrogen 3.086 N/A HIS 72.A N ILE 69.A O no hydrogen 3.276 N/A HIS 72.A ND1 TYR 55.A OH no hydrogen 2.712 N/A LEU 73.A N ILE 69.A O no hydrogen 3.145 N/A GLY 74.A N GLN 70.A O no hydrogen 2.681 N/A GLN 75.A N GLN 71.A O no hydrogen 3.237 N/A LEU 76.A N HIS 72.A O no hydrogen 3.324 N/A ASN 77.A N LEU 73.A O no hydrogen 2.965 N/A ASN 77.A N GLY 74.A O no hydrogen 2.783 N/A ASN 77.A ND2 SER 89.A OG no hydrogen 2.473 N/A MET 78.A N GLY 74.A O no hydrogen 2.956 N/A LEU 79.A N GLN 75.A O no hydrogen 3.074 N/A HIS 80.A N LEU 76.A O no hydrogen 3.446 N/A HIS 80.A ND1 LEU 76.A O no hydrogen 2.913 N/A ARG 81.A N ASN 77.A O no hydrogen 2.775 N/A ARG 82.A N MET 78.A O no hydrogen 2.743 N/A SER 83.A N LEU 79.A O no hydrogen 3.025 N/A SER 83.A OG LEU 79.A O no hydrogen 2.730 N/A ARG 87.A NE ASP 90.A OD1 no hydrogen 2.860 N/A ARG 87.A NE ASP 90.A OD2 no hydrogen 3.234 N/A ARG 87.A NH2 ASP 90.A OD1 no hydrogen 2.858 N/A SER 89.A N ASN 77.A OD1 no hydrogen 3.125 N/A ASP 90.A N ARG 87.A O no hydrogen 2.769 N/A SER 91.A N PRO 88.A O no hydrogen 3.078 N/A SER 91.A OG PRO 88.A O no hydrogen 2.732 N/A VAL 94.A N SER 91.A OG no hydrogen 3.315 N/A SER 95.A N SER 91.A O no hydrogen 3.058 N/A SER 95.A OG SER 89.A O no hydrogen 2.941 N/A SER 95.A OG SER 91.A O no hydrogen 2.432 N/A LEU 96.A N ASN 92.A O no hydrogen 2.891 N/A VAL 97.A N ALA 93.A O no hydrogen 2.938 N/A MET 98.A N VAL 94.A O no hydrogen 3.061 N/A ARG 99.A N SER 95.A O no hydrogen 3.355 N/A ARG 100.A N LEU 96.A O no hydrogen 3.166 N/A ARG 100.A NE GLU 104.A OE2 no hydrogen 3.404 N/A ILE 101.A N VAL 97.A O no hydrogen 2.755 N/A ARG 102.A N MET 98.A O no hydrogen 2.730 N/A LYS 103.A N ARG 99.A O no hydrogen 3.267 N/A GLU 104.A N ARG 100.A O no hydrogen 2.755 N/A ASN 105.A N ILE 101.A O no hydrogen 2.957 N/A ASN 105.A ND2 LEU 64.A O no hydrogen 3.477 N/A ASN 105.A ND2 GLU 110.A OE1 no hydrogen 2.761 N/A VAL 106.A N ARG 102.A O no hydrogen 3.057 N/A ASP 107.A N LYS 103.A O no hydrogen 2.671 N/A ALA 108.A N GLU 104.A O no hydrogen 2.905 N/A GLY 109.A N VAL 106.A O no hydrogen 2.921 N/A GLU 110.A N ASN 105.A O no hydrogen 3.155 N/A LYS 113.A NZ GLN 262.A OE1 no hydrogen 3.233 N/A PHE 118.A N SER 271.A O no hydrogen 2.850 N/A GLU 119.A N ASP 122.A OD2 no hydrogen 2.645 N/A ARG 120.A N ASP 279.A OD2 no hydrogen 2.959 N/A ARG 120.A NE ASP 124.A OD1 no hydrogen 3.380 N/A ARG 120.A NE ASP 124.A OD2 no hydrogen 3.485 N/A PHE 123.A N GLU 119.A O no hydrogen 2.793 N/A ASP 124.A N ARG 120.A O no hydrogen 2.765 N/A GLN 125.A N THR 121.A O no hydrogen 3.241 N/A VAL 126.A N ASP 122.A O no hydrogen 2.968 N/A ARG 127.A N PHE 123.A O no hydrogen 2.750 N/A SER 128.A N ASP 124.A O no hydrogen 2.806 N/A SER 128.A OG GLN 125.A O no hydrogen 2.703 N/A LEU 129.A N GLN 125.A O no hydrogen 2.822 N/A MET 130.A N VAL 126.A O no hydrogen 2.790 N/A SER 133.A N MET 130.A O no hydrogen 2.980 N/A SER 133.A OG ASP 138.A OD2 no hydrogen 2.800 N/A ARG 135.A N SER 133.A OG no hydrogen 3.031 N/A ARG 135.A NH1 ASP 138.A OD2 no hydrogen 2.607 N/A CYS 136.A SG VAL 208.A O no hydrogen 3.495 N/A ASP 138.A N ARG 135.A O no hydrogen 2.738 N/A ILE 139.A N ARG 135.A O no hydrogen 2.957 N/A ARG 140.A N CYS 136.A O no hydrogen 2.926 N/A ARG 140.A NE ASN 141.A OD1 no hydrogen 3.079 N/A ARG 140.A NH1 CYS 221.A O no hydrogen 2.761 N/A ARG 140.A NH2 ASN 141.A OD1 no hydrogen 2.997 N/A ASN 141.A N GLN 137.A O no hydrogen 3.010 N/A LEU 142.A N ASP 138.A O no hydrogen 3.001 N/A ALA 143.A N ILE 139.A O no hydrogen 3.198 N/A PHE 144.A N ARG 140.A O no hydrogen 2.914 N/A LEU 145.A N ASN 141.A O no hydrogen 3.190 N/A GLY 146.A N LEU 142.A O no hydrogen 2.860 N/A GLY 146.A N ALA 143.A O no hydrogen 3.035 N/A ILE 147.A N ALA 143.A O no hydrogen 2.881 N/A ALA 148.A N PHE 144.A O no hydrogen 2.791 N/A TYR 149.A N LEU 145.A O no hydrogen 3.257 N/A TYR 149.A OH ASP 279.A OD2 no hydrogen 2.448 N/A ASN 150.A N GLY 146.A O no hydrogen 2.795 N/A THR 151.A N ILE 147.A O no hydrogen 2.737 N/A THR 151.A OG1 ILE 147.A O no hydrogen 2.664 N/A LEU 152.A N ALA 148.A O no hydrogen 3.078 N/A LEU 153.A N THR 151.A OG1 no hydrogen 3.160 N/A ARG 154.A N GLU 157.A OE1 no hydrogen 3.083 N/A ARG 154.A NH1 GLU 157.A OE2 no hydrogen 2.530 N/A ARG 154.A NH1 ARG 180.A O no hydrogen 3.439 N/A GLU 157.A N ARG 154.A O no hydrogen 3.037 N/A ILE 158.A N ARG 154.A O no hydrogen 3.013 N/A ALA 159.A N ILE 155.A O no hydrogen 3.017 N/A ARG 160.A N GLU 157.A O no hydrogen 3.255 N/A ILE 161.A N ILE 158.A O no hydrogen 3.453 N/A ARG 162.A N ASP 165.A OD2 no hydrogen 3.288 N/A ARG 162.A NE ASN 216.A O no hydrogen 3.170 N/A ARG 162.A NH2 ASN 216.A O no hydrogen 2.567 N/A VAL 163.A N ASN 217.A O no hydrogen 2.759 N/A LYS 164.A N PRO 215.A O no hydrogen 2.897 N/A LYS 164.A NZ ASN 216.A OD1 no hydrogen 3.258 N/A ASP 165.A N ARG 162.A O no hydrogen 3.324 N/A ILE 166.A N VAL 163.A O no hydrogen 3.024 N/A SER 167.A N LEU 175.A O no hydrogen 2.683 N/A SER 167.A OG LEU 175.A O no hydrogen 3.217 N/A ARG 168.A NH1 GLY 172.A O no hydrogen 2.680 N/A ARG 168.A NH1 GLU 203.A OE2 no hydrogen 3.029 N/A ARG 168.A NH2 GLU 203.A OE2 no hydrogen 2.703 N/A THR 169.A N ARG 173.A O no hydrogen 2.968 N/A ASP 170.A N THR 169.A OG1 no hydrogen 2.582 N/A GLY 172.A N THR 169.A O no hydrogen 3.070 N/A ARG 173.A NH1 ASP 170.A O no hydrogen 3.095 N/A MET 174.A N THR 199.A OG1 no hydrogen 3.017 N/A LEU 175.A N SER 167.A O no hydrogen 2.704 N/A ILE 176.A N LYS 192.A O no hydrogen 2.703 N/A HIS 177.A N ASP 165.A O no hydrogen 2.957 N/A ILE 178.A N VAL 190.A O no hydrogen 2.872 N/A ARG 180.A NH1 GLN 292.A O no hydrogen 3.223 N/A ARG 180.A NH2 GLN 292.A O no hydrogen 2.512 N/A THR 181.A OG1 SER 186.A OG no hydrogen 2.812 N/A THR 181.A OG1 THR 187.A O no hydrogen 2.371 N/A THR 183.A OG1 VAL 185.A O no hydrogen 3.493 N/A SER 186.A N LEU 184.A O no hydrogen 3.122 N/A SER 186.A OG THR 183.A O no hydrogen 3.026 N/A THR 187.A OG1 GLY 189.A O no hydrogen 3.532 N/A VAL 190.A N ILE 178.A O no hydrogen 2.832 N/A LYS 192.A N ILE 176.A O no hydrogen 2.957 N/A LYS 192.A NZ THR 151.A O no hydrogen 2.567 N/A LYS 192.A NZ ALA 293.A O no hydrogen 2.740 N/A LEU 194.A N MET 174.A O no hydrogen 2.892 N/A SER 195.A N ASN 150.A OD1 no hydrogen 3.090 N/A VAL 198.A N SER 195.A OG no hydrogen 3.161 N/A THR 199.A N SER 195.A O no hydrogen 3.116 N/A THR 199.A OG1 LEU 194.A O no hydrogen 3.265 N/A THR 199.A OG1 SER 195.A O no hydrogen 2.752 N/A LYS 200.A N LEU 196.A O no hydrogen 3.101 N/A LEU 201.A N GLY 197.A O no hydrogen 2.885 N/A VAL 202.A N VAL 198.A O no hydrogen 3.017 N/A GLU 203.A N THR 199.A O no hydrogen 2.846 N/A ARG 204.A N LYS 200.A O no hydrogen 2.986 N/A TRP 205.A N LEU 201.A O no hydrogen 3.209 N/A TRP 205.A NE1 LEU 219.A O no hydrogen 2.751 N/A ILE 206.A N VAL 202.A O no hydrogen 3.007 N/A SER 207.A N GLU 203.A O no hydrogen 3.085 N/A SER 207.A OG GLU 203.A O no hydrogen 3.494 N/A SER 207.A OG ARG 204.A O no hydrogen 2.555 N/A VAL 208.A N ARG 204.A O no hydrogen 2.884 N/A VAL 208.A N TRP 205.A O no hydrogen 3.083 N/A SER 209.A N ILE 206.A O no hydrogen 3.296 N/A SER 209.A OG TRP 205.A O no hydrogen 2.760 N/A SER 209.A OG ILE 206.A O no hydrogen 3.123 N/A GLY 210.A N ILE 206.A O no hydrogen 2.966 N/A VAL 211.A N SER 209.A OG no hydrogen 3.388 N/A ASP 213.A N GLY 210.A O no hydrogen 3.100 N/A ASN 216.A N ASP 214.A OD1 no hydrogen 2.613 N/A ASN 217.A N ASP 214.A O no hydrogen 2.818 N/A ASN 217.A ND2 VAL 211.A O no hydrogen 3.119 N/A TYR 218.A N SER 232.A O no hydrogen 3.032 N/A LEU 219.A N ILE 161.A O no hydrogen 2.649 N/A CYS 221.A SG ARG 222.A O no hydrogen 3.533 N/A ARG 224.A N VAL 228.A O no hydrogen 3.263 N/A GLY 227.A N ARG 224.A O no hydrogen 2.787 N/A ALA 230.A N ARG 222.A O no hydrogen 2.616 N/A SER 232.A OG THR 234.A OG1 no hydrogen 3.410 N/A SER 232.A OG SER 235.A O no hydrogen 3.336 N/A THR 234.A N SER 232.A OG no hydrogen 3.056 N/A THR 234.A OG1 SER 232.A OG no hydrogen 3.410 N/A SER 235.A N SER 232.A OG no hydrogen 2.920 N/A GLN 236.A NE2 TYR 218.A OH no hydrogen 3.483 N/A ARG 240.A NH1 ARG 240.A O no hydrogen 2.994 N/A ARG 240.A NH1 GLU 247.A OE2 no hydrogen 3.109 N/A ARG 240.A NH2 GLU 247.A OE2 no hydrogen 3.533 N/A ALA 241.A N SER 238.A OG no hydrogen 3.096 N/A LEU 242.A N SER 238.A O no hydrogen 3.386 N/A GLU 243.A N THR 239.A O no hydrogen 2.918 N/A GLY 244.A N ARG 240.A O no hydrogen 2.812 N/A ILE 245.A N ALA 241.A O no hydrogen 2.888 N/A PHE 246.A N GLU 243.A O no hydrogen 3.094 N/A GLU 247.A N GLU 243.A O no hydrogen 3.094 N/A ALA 248.A N GLY 244.A O no hydrogen 2.777 N/A THR 249.A N ILE 245.A O no hydrogen 3.016 N/A THR 249.A OG1 ILE 245.A O no hydrogen 2.602 N/A HIS 250.A N PHE 246.A O no hydrogen 3.004 N/A ARG 251.A N GLU 247.A O no hydrogen 2.886 N/A LEU 252.A N ALA 248.A O no hydrogen 2.931 N/A TYR 254.A N HIS 250.A O no hydrogen 2.725 N/A GLY 255.A N ARG 251.A O no hydrogen 2.523 N/A TRP 267.A NE1 ALA 117.A O no hydrogen 2.955 N/A SER 268.A N SER 271.A OG no hydrogen 2.805 N/A SER 271.A N SER 268.A O no hydrogen 3.188 N/A SER 271.A OG LEU 116.A O no hydrogen 2.778 N/A SER 271.A OG SER 268.A O no hydrogen 3.143 N/A ARG 273.A NH1 LEU 152.A O no hydrogen 2.711 N/A ARG 273.A NH1 GLY 294.A O no hydrogen 3.359 N/A VAL 274.A N HIS 270.A O no hydrogen 3.235 N/A GLY 275.A N SER 271.A O no hydrogen 3.055 N/A ALA 276.A N ALA 272.A O no hydrogen 2.724 N/A ALA 277.A N ARG 273.A O no hydrogen 2.963 N/A ARG 278.A N VAL 274.A O no hydrogen 3.256 N/A ARG 278.A N GLY 275.A O no hydrogen 3.064 N/A ARG 278.A NE GLU 119.A OE2 no hydrogen 2.845 N/A ARG 278.A NH1 TYR 305.A O no hydrogen 2.823 N/A ARG 278.A NH1 ASN 308.A OD1 no hydrogen 2.543 N/A ASP 279.A N GLY 275.A O no hydrogen 2.988 N/A MET 280.A N ALA 276.A O no hydrogen 2.908 N/A ALA 281.A N ALA 277.A O no hydrogen 3.209 N/A ARG 282.A N ARG 278.A O no hydrogen 2.827 N/A ARG 282.A NH2 GLU 119.A OE2 no hydrogen 3.245 N/A ALA 283.A N ASP 279.A O no hydrogen 2.718 N/A GLY 284.A N ALA 281.A O no hydrogen 3.002 N/A VAL 285.A N MET 280.A O no hydrogen 2.864 N/A GLU 289.A N SER 286.A OG no hydrogen 3.036 N/A ILE 290.A N SER 286.A O no hydrogen 3.052 N/A ILE 290.A N ILE 287.A O no hydrogen 3.124 N/A MET 291.A N ILE 287.A O no hydrogen 3.155 N/A GLN 292.A N PRO 288.A O no hydrogen 2.843 N/A ALA 293.A N GLU 289.A O no hydrogen 3.307 N/A GLY 294.A N ILE 290.A O no hydrogen 3.340 N/A GLY 295.A N MET 291.A O no hydrogen 2.617 N/A GLY 295.A N GLN 292.A O no hydrogen 3.301 N/A TRP 296.A N MET 291.A O no hydrogen 2.846 N/A ASN 300.A N ASN 298.A OD1 no hydrogen 2.814 N/A MET 303.A N VAL 299.A O no hydrogen 3.003 N/A ASN 304.A N ILE 301.A O no hydrogen 2.764 N/A TYR 305.A N ILE 301.A O no hydrogen 3.110 N/A ILE 306.A N VAL 302.A O no hydrogen 3.197 N/A LEU 309.A N ILE 306.A O no hydrogen 2.925 N/A SER 311.A OG GLU 312.A OE2 no hydrogen 3.093 N/A GLU 312.A N LEU 309.A O no hydrogen 2.930 N/A THR 313.A OG1 ASP 310.A O no hydrogen 2.824 N/A ARG 318.A N GLY 314.A O no hydrogen 3.197 N/A LEU 319.A N ALA 315.A O no hydrogen 2.663 N/A LEU 320.A N MET 316.A O no hydrogen 2.970 N/A GLU 321.A N VAL 317.A O no hydrogen 2.987 N/A ASP 322.A N LEU 319.A O no hydrogen 2.771 N/A