Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wwr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N ASP 23.A O no hydrogen 2.950 N/A LYS 3.A N HIS 48.A ND1 no hydrogen 3.097 N/A LYS 3.A NZ GLY 43.A O no hydrogen 2.536 N/A LYS 3.A NZ ALA 45.A O no hydrogen 2.829 N/A VAL 4.A N GLU 25.A O no hydrogen 2.972 N/A PHE 5.A N GLY 49.A O no hydrogen 3.031 N/A VAL 6.A N GLU 27.A O no hydrogen 2.879 N/A THR 7.A N LEU 51.A O no hydrogen 2.979 N/A THR 7.A OG1 LEU 51.A O no hydrogen 3.400 N/A THR 7.A OG1 ASP 56.A OD2 no hydrogen 2.783 N/A ARG 8.A NH2 SER 55.A OG no hydrogen 2.891 N/A ARG 9.A N SER 31.A O no hydrogen 3.043 N/A GLY 14.A N PRO 11.A O no hydrogen 3.007 N/A ARG 15.A N PRO 11.A O no hydrogen 3.025 N/A ARG 15.A NE ILE 10.A O no hydrogen 3.270 N/A VAL 16.A N ALA 12.A O no hydrogen 2.759 N/A ALA 17.A N GLU 13.A O no hydrogen 3.460 N/A LEU 18.A N GLY 14.A O no hydrogen 3.366 N/A ALA 19.A N ARG 15.A O no hydrogen 3.278 N/A ARG 20.A N VAL 16.A O no hydrogen 2.979 N/A ALA 21.A N LEU 18.A O no hydrogen 3.471 N/A CYS 24.A N ALA 21.A O no hydrogen 3.456 N/A GLU 25.A N MET 2.A O no hydrogen 2.954 N/A GLU 27.A N VAL 4.A O no hydrogen 2.797 N/A TRP 29.A N VAL 6.A O no hydrogen 2.865 N/A TRP 29.A NE1 GLU 33.A O no hydrogen 2.989 N/A SER 31.A N TRP 29.A O no hydrogen 2.712 N/A SER 31.A OG GLU 33.A O no hydrogen 3.432 N/A GLU 33.A N SER 31.A OG no hydrogen 2.780 N/A LEU 40.A N PRO 36.A O no hydrogen 3.087 N/A GLU 41.A N ALA 37.A O no hydrogen 3.168 N/A ARG 42.A N LYS 38.A O no hydrogen 3.352 N/A GLY 43.A N GLU 39.A O no hydrogen 2.916 N/A VAL 44.A N LEU 40.A O no hydrogen 2.987 N/A GLY 46.A N ALA 66.A O no hydrogen 2.794 N/A ALA 47.A N VAL 44.A O no hydrogen 2.946 N/A HIS 48.A N LYS 3.A O no hydrogen 2.920 N/A GLY 49.A N LYS 3.A O no hydrogen 3.243 N/A LEU 50.A N VAL 72.A O no hydrogen 2.916 N/A LEU 51.A N PHE 5.A O no hydrogen 2.840 N/A CYS 52.A N SER 74.A O no hydrogen 2.926 N/A CYS 52.A SG SER 74.A O no hydrogen 3.858 N/A LEU 53.A N ASP 56.A OD2 no hydrogen 2.651 N/A SER 55.A OG ASP 56.A OD1 no hydrogen 2.898 N/A ASP 56.A N LEU 53.A O no hydrogen 2.951 N/A VAL 58.A N HIS 82.A O no hydrogen 2.989 N/A LYS 60.A NZ ASP 64.A OD2 no hydrogen 2.589 N/A ILE 62.A N ASP 59.A O no hydrogen 3.135 N/A LEU 63.A N ASP 59.A O no hydrogen 3.089 N/A ASP 64.A N LYS 60.A O no hydrogen 2.794 N/A ALA 65.A N ARG 61.A O no hydrogen 3.143 N/A ALA 66.A N ILE 62.A O no hydrogen 2.956 N/A GLY 67.A N LEU 63.A O no hydrogen 2.940 N/A ASN 69.A ND2 GLY 46.A O no hydrogen 2.749 N/A LYS 71.A N HIS 48.A O no hydrogen 2.798 N/A LYS 71.A NZ LEU 305.A O no hydrogen 2.778 N/A VAL 72.A N HIS 48.A O no hydrogen 3.401 N/A ILE 73.A N ARG 94.A O no hydrogen 3.049 N/A SER 74.A N LEU 50.A O no hydrogen 2.792 N/A SER 74.A OG ALA 297.A O no hydrogen 2.555 N/A THR 75.A N GLY 96.A O no hydrogen 2.926 N/A THR 75.A OG1 CYS 52.A O no hydrogen 3.535 N/A THR 75.A OG1 SER 77.A OG no hydrogen 3.135 N/A THR 75.A OG1 HIS 82.A NE2 no hydrogen 2.845 N/A MET 76.A N CYS 52.A O no hydrogen 2.975 N/A SER 77.A OG THR 75.A OG1 no hydrogen 3.135 N/A SER 77.A OG GLY 79.A O no hydrogen 2.929 N/A LEU 83.A N ILE 80.A O no hydrogen 2.914 N/A ALA 84.A N VAL 58.A O no hydrogen 2.988 N/A GLU 87.A N ALA 84.A O no hydrogen 2.942 N/A ILE 88.A N ALA 84.A O no hydrogen 3.040 N/A LYS 89.A N LEU 85.A O no hydrogen 2.941 N/A LYS 90.A N ASP 86.A O no hydrogen 3.181 N/A ARG 91.A N GLU 87.A O no hydrogen 3.132 N/A ARG 91.A NH1 GLU 87.A OE2 no hydrogen 2.769 N/A ARG 91.A NH2 ASP 64.A OD1 no hydrogen 2.586 N/A GLY 92.A N LYS 89.A O no hydrogen 3.078 N/A ILE 93.A N ILE 88.A O no hydrogen 3.085 N/A ARG 94.A N LYS 71.A O no hydrogen 2.894 N/A ARG 94.A NE GLU 313.A OE1 no hydrogen 3.291 N/A ARG 94.A NH1 GLU 308.A O no hydrogen 3.057 N/A ARG 94.A NH2 GLU 308.A O no hydrogen 2.669 N/A ARG 94.A NH2 GLU 313.A OE2 no hydrogen 3.253 N/A GLY 96.A N ILE 73.A O no hydrogen 2.930 N/A TYR 97.A N SER 312.A O no hydrogen 3.331 N/A THR 98.A N SER 77.A O no hydrogen 2.665 N/A THR 98.A OG1 THR 98.A O no hydrogen 2.687 N/A VAL 101.A N PRO 99.A O no hydrogen 2.580 N/A THR 103.A N ASP 100.A O no hydrogen 2.947 N/A THR 103.A OG1 ASP 100.A O no hydrogen 2.922 N/A THR 105.A OG1 THR 289.A OG1 no hydrogen 2.452 N/A THR 106.A N LEU 102.A O no hydrogen 3.055 N/A THR 106.A OG1 LEU 102.A O no hydrogen 2.912 N/A ALA 107.A N THR 103.A O no hydrogen 2.786 N/A GLU 108.A N ASP 104.A O no hydrogen 2.688 N/A LEU 109.A N THR 105.A O no hydrogen 3.118 N/A ALA 110.A N THR 106.A O no hydrogen 2.892 N/A VAL 111.A N ALA 107.A O no hydrogen 3.160 N/A SER 112.A N GLU 108.A O no hydrogen 3.118 N/A SER 112.A OG GLU 108.A O no hydrogen 2.752 N/A LEU 113.A N LEU 109.A O no hydrogen 2.757 N/A LEU 114.A N ALA 110.A O no hydrogen 2.854 N/A LEU 115.A N VAL 111.A O no hydrogen 2.797 N/A THR 116.A N SER 112.A O no hydrogen 3.062 N/A THR 117.A N LEU 113.A O no hydrogen 3.055 N/A THR 117.A OG1 LEU 113.A O no hydrogen 2.622 N/A CYS 118.A N LEU 114.A O no hydrogen 2.989 N/A CYS 118.A SG LEU 114.A O no hydrogen 3.258 N/A CYS 118.A SG LEU 115.A O no hydrogen 3.511 N/A CYS 118.A SG TYR 144.A O no hydrogen 3.462 N/A ARG 119.A N LEU 115.A O no hydrogen 3.176 N/A ARG 120.A N THR 117.A O no hydrogen 3.225 N/A ARG 120.A NE GLU 123.A OE1 no hydrogen 2.806 N/A ARG 120.A NH2 GLU 123.A OE2 no hydrogen 2.774 N/A LEU 121.A N THR 116.A O no hydrogen 3.030 N/A ALA 124.A N ARG 120.A O no hydrogen 2.932 N/A ILE 125.A N LEU 121.A O no hydrogen 2.731 N/A GLU 126.A N PRO 122.A O no hydrogen 2.974 N/A GLU 127.A N GLU 123.A O no hydrogen 3.111 N/A VAL 128.A N ALA 124.A O no hydrogen 3.290 N/A ASN 130.A N GLU 126.A O no hydrogen 3.094 N/A ASN 130.A ND2 GLU 126.A OE2 no hydrogen 3.146 N/A GLY 132.A N ASN 130.A OD1 no hydrogen 3.211 N/A TRP 133.A N GLU 127.A O no hydrogen 3.160 N/A SER 135.A OG TRP 136.A O no hydrogen 3.345 N/A LYS 137.A NZ THR 134.A OG1 no hydrogen 3.074 N/A CYS 142.A SG PRO 138.A O no hydrogen 3.689 N/A CYS 142.A SG TRP 140.A O no hydrogen 3.999 N/A TYR 144.A N CYS 118.A O no hydrogen 3.003 N/A THR 147.A OG1 PHE 170.A O no hydrogen 3.562 N/A GLN 148.A N GLY 171.A O no hydrogen 2.666 N/A SER 149.A N LEU 146.A O no hydrogen 3.302 N/A SER 149.A OG LEU 146.A O no hydrogen 2.561 N/A THR 150.A N ASP 205.A OD2 no hydrogen 3.185 N/A VAL 151.A N ARG 174.A O no hydrogen 2.873 N/A GLY 152.A N PHE 206.A O no hydrogen 2.824 N/A ILE 153.A N LEU 176.A O no hydrogen 2.620 N/A ILE 154.A N VAL 208.A O no hydrogen 2.840 N/A GLY 155.A N THR 178.A O no hydrogen 3.116 N/A GLN 161.A N GLY 157.A O no hydrogen 2.922 N/A GLN 161.A NE2 LEU 156.A O no hydrogen 3.212 N/A ALA 162.A N ARG 158.A O no hydrogen 3.144 N/A ILE 163.A N ILE 159.A O no hydrogen 2.978 N/A ALA 164.A N GLY 160.A O no hydrogen 3.021 N/A ARG 165.A N GLN 161.A O no hydrogen 2.776 N/A ARG 165.A NE GLU 189.A OE2 no hydrogen 2.868 N/A ARG 165.A NH2 GLU 189.A OE1 no hydrogen 3.058 N/A ARG 166.A N ALA 162.A O no hydrogen 3.218 N/A ARG 166.A NH1 ALA 162.A O no hydrogen 2.895 N/A LEU 167.A N ILE 163.A O no hydrogen 2.984 N/A LEU 167.A N ALA 164.A O no hydrogen 3.022 N/A LYS 168.A N ALA 164.A O no hydrogen 2.968 N/A PHE 170.A N LEU 167.A O no hydrogen 2.873 N/A GLY 171.A N LYS 168.A O no hydrogen 3.170 N/A GLN 173.A N SER 149.A O no hydrogen 2.767 N/A ARG 174.A N SER 149.A O no hydrogen 3.099 N/A LEU 176.A N VAL 151.A O no hydrogen 2.877 N/A TYR 177.A N GLU 193.A O no hydrogen 3.037 N/A THR 178.A N ILE 153.A O no hydrogen 3.362 N/A THR 178.A OG1 VAL 195.A O no hydrogen 3.398 N/A THR 178.A OG1 THR 197.A OG1 no hydrogen 3.419 N/A ARG 183.A N TYR 177.A OH no hydrogen 2.632 N/A ARG 183.A NE LEU 156.A O no hydrogen 3.330 N/A ALA 187.A N ARG 183.A O no hydrogen 2.822 N/A ALA 188.A N PRO 184.A O no hydrogen 2.887 N/A PHE 190.A N ALA 187.A O no hydrogen 3.135 N/A GLN 191.A N ALA 188.A O no hydrogen 3.242 N/A ALA 192.A N ALA 187.A O no hydrogen 3.157 N/A GLU 193.A N PHE 175.A O no hydrogen 2.919 N/A VAL 195.A N TYR 177.A O no hydrogen 3.084 N/A THR 197.A OG1 THR 178.A OG1 no hydrogen 3.419 N/A GLU 199.A N SER 196.A OG no hydrogen 3.290 N/A LEU 200.A N SER 196.A O no hydrogen 3.163 N/A ALA 201.A N THR 197.A O no hydrogen 3.202 N/A SER 204.A N LEU 200.A O no hydrogen 3.236 N/A SER 204.A OG LEU 200.A O no hydrogen 2.727 N/A ASP 205.A N THR 150.A O no hydrogen 2.838 N/A PHE 206.A N THR 150.A O no hydrogen 3.154 N/A ILE 207.A N VAL 227.A O no hydrogen 3.034 N/A VAL 208.A N GLY 152.A O no hydrogen 2.818 N/A VAL 209.A N ILE 229.A O no hydrogen 2.786 N/A ALA 210.A N ILE 154.A O no hydrogen 3.094 N/A CYS 211.A SG ALA 210.A O no hydrogen 2.961 N/A CYS 214.A N VAL 236.A O no hydrogen 2.938 N/A ASN 215.A ND2 GLY 212.A O no hydrogen 2.685 N/A LYS 216.A N ASP 241.A OD2 no hydrogen 2.740 N/A ASP 217.A N ASN 215.A OD1 no hydrogen 3.235 N/A PHE 218.A N ASN 215.A O no hydrogen 2.675 N/A PHE 219.A N ASN 215.A O no hydrogen 3.068 N/A LYS 221.A NZ ASP 217.A O no hydrogen 3.460 N/A LYS 223.A NZ ASP 205.A OD1 no hydrogen 3.208 N/A ALA 226.A N LYS 223.A O no hydrogen 3.180 N/A VAL 227.A N ASP 205.A O no hydrogen 3.046 N/A PHE 228.A N ALA 253.A O no hydrogen 2.910 N/A ILE 229.A N ILE 207.A O no hydrogen 2.935 N/A ASN 230.A N GLY 255.A O no hydrogen 3.069 N/A ASN 230.A ND2 ARG 233.A O no hydrogen 3.045 N/A ILE 231.A N VAL 209.A O no hydrogen 3.115 N/A SER 232.A N ASN 230.A OD1 no hydrogen 3.181 N/A SER 232.A OG ASN 230.A OD1 no hydrogen 2.642 N/A ARG 233.A N SER 232.A OG no hydrogen 2.648 N/A ARG 233.A NH1 ASP 81.A OD2 no hydrogen 3.466 N/A VAL 237.A N GLY 234.A O no hydrogen 2.980 N/A ASN 238.A N CYS 214.A O no hydrogen 3.084 N/A GLN 239.A NE2 SER 260.A O no hydrogen 2.959 N/A LEU 242.A N ASN 238.A O no hydrogen 3.048 N/A TYR 243.A N GLN 239.A O no hydrogen 3.227 N/A GLN 244.A N ASP 240.A O no hydrogen 3.229 N/A ALA 245.A N ASP 241.A O no hydrogen 3.201 N/A LEU 246.A N LEU 242.A O no hydrogen 3.067 N/A ALA 247.A N TYR 243.A O no hydrogen 2.990 N/A SER 248.A N GLN 244.A O no hydrogen 2.887 N/A SER 248.A OG GLN 244.A O no hydrogen 2.929 N/A SER 248.A OG ALA 245.A O no hydrogen 3.103 N/A GLY 249.A N ALA 245.A O no hydrogen 2.866 N/A LYS 250.A N ALA 245.A O no hydrogen 2.863 N/A LYS 250.A N SER 248.A OG no hydrogen 3.334 N/A ALA 252.A N ALA 226.A O no hydrogen 2.961 N/A ALA 253.A N ALA 226.A O no hydrogen 3.436 N/A ALA 254.A N ASN 275.A O no hydrogen 2.918 N/A GLY 255.A N PHE 228.A O no hydrogen 2.781 N/A LEU 256.A N VAL 277.A O no hydrogen 2.852 N/A ASP 257.A N ASN 230.A O no hydrogen 2.919 N/A THR 259.A OG1 PRO 261.A O no hydrogen 2.852 N/A SER 260.A N GLN 239.A OE1 no hydrogen 2.708 N/A SER 260.A OG ASP 235.A OD1 no hydrogen 2.926 N/A HIS 268.A N PRO 265.A O no hydrogen 2.984 N/A LEU 270.A N HIS 268.A ND1 no hydrogen 3.061 N/A LEU 271.A N HIS 268.A O no hydrogen 3.127 N/A THR 272.A N PRO 269.A O no hydrogen 2.840 N/A THR 272.A OG1 PRO 269.A O no hydrogen 2.754 N/A LEU 273.A N LEU 270.A O no hydrogen 3.327 N/A ASN 275.A N ASN 275.A OD1 no hydrogen 2.660 N/A ASN 275.A ND2 LEU 246.A O no hydrogen 3.365 N/A ASN 275.A ND2 ALA 252.A O no hydrogen 3.011 N/A CYS 276.A SG LEU 270.A O no hydrogen 3.985 N/A VAL 277.A N ALA 254.A O no hydrogen 2.800 N/A LEU 279.A N LEU 256.A O no hydrogen 2.839 N/A HIS 281.A N LEU 279.A O no hydrogen 3.018 N/A HIS 281.A ND1 GLU 262.A OE1 no hydrogen 2.747 N/A ILE 282.A N ASP 257.A OD1 no hydrogen 3.052 N/A GLY 283.A N ASP 257.A OD2 no hydrogen 3.230 N/A ALA 285.A N ILE 282.A O no hydrogen 2.994 N/A THR 286.A N SER 284.A O no hydrogen 3.234 N/A THR 286.A OG1 THR 289.A OG1 no hydrogen 2.833 N/A THR 289.A N THR 286.A OG1 no hydrogen 3.250 N/A THR 289.A OG1 THR 105.A OG1 no hydrogen 2.452 N/A THR 289.A OG1 THR 286.A OG1 no hydrogen 2.833 N/A ARG 290.A N THR 286.A O no hydrogen 2.761 N/A ARG 290.A NE SER 284.A OG no hydrogen 2.931 N/A ARG 290.A NH2 SER 284.A OG no hydrogen 3.250 N/A ASN 291.A N HIS 287.A O no hydrogen 2.905 N/A THR 292.A N ARG 288.A O no hydrogen 3.163 N/A THR 292.A OG1 ARG 288.A O no hydrogen 3.164 N/A MET 293.A N THR 289.A O no hydrogen 2.898 N/A SER 294.A N ARG 290.A O no hydrogen 2.962 N/A SER 294.A OG PRO 11.A O no hydrogen 3.058 N/A LEU 295.A N ASN 291.A O no hydrogen 2.913 N/A LEU 296.A N THR 292.A O no hydrogen 2.995 N/A ALA 297.A N MET 293.A O no hydrogen 2.875 N/A ALA 298.A N SER 294.A O no hydrogen 3.150 N/A ASN 299.A N LEU 295.A O no hydrogen 2.891 N/A ASN 300.A N LEU 296.A O no hydrogen 2.807 N/A ASN 300.A ND2 TYR 97.A O no hydrogen 3.025 N/A LEU 301.A N ALA 297.A O no hydrogen 3.092 N/A LEU 302.A N ALA 298.A O no hydrogen 2.881 N/A ALA 303.A N ASN 299.A O no hydrogen 2.906 N/A GLY 304.A N ASN 300.A O no hydrogen 2.984 N/A LEU 305.A N LEU 301.A O no hydrogen 3.003 N/A ARG 306.A N LEU 302.A O no hydrogen 3.314 N/A ARG 306.A N ALA 303.A O no hydrogen 3.288 N/A ARG 306.A NE ASP 23.A OD2 no hydrogen 3.027 N/A GLY 307.A N GLY 304.A O no hydrogen 3.260 N/A GLU 308.A N ALA 303.A O no hydrogen 2.902 N/A SER 312.A N ASN 300.A OD1 no hydrogen 3.087 N/A LEU 314.A N VAL 95.A O no hydrogen 2.836 N/A