Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1mdu_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N PRO 89.A O no hydrogen 2.767 N/A VAL 5.A N GLY 16.A O no hydrogen 2.744 N/A CYS 6.A N LEU 91.A O no hydrogen 2.947 N/A ASP 7.A N LYS 14.A O no hydrogen 2.744 N/A GLY 9.A N LEU 12.A O no hydrogen 3.054 N/A VAL 13.A N PHE 27.A O no hydrogen 2.761 N/A LYS 14.A N ASP 7.A O no hydrogen 2.969 N/A LYS 14.A NZ LEU 12.A O no hydrogen 3.148 N/A ALA 15.A N ALA 25.A O no hydrogen 2.955 N/A GLY 16.A N VAL 5.A O no hydrogen 2.956 N/A ALA 18.A N ALA 3.A O no hydrogen 2.879 N/A GLY 19.A N SER 331.A OG no hydrogen 3.021 N/A ASP 20.A N PHE 17.A O no hydrogen 3.029 N/A ALA 25.A N ALA 15.A O no hydrogen 2.981 N/A PHE 27.A N VAL 13.A O no hydrogen 3.280 N/A SER 29.A N GLY 11.A O no hydrogen 2.956 N/A SER 29.A OG GLY 9.A O no hydrogen 2.790 N/A ILE 30.A N PRO 28.A O no hydrogen 2.711 N/A VAL 31.A N LYS 56.A O no hydrogen 3.119 N/A GLY 32.A N TYR 41.A O no hydrogen 2.498 N/A ARG 33.A N THR 54.A O no hydrogen 3.279 N/A ARG 33.A NE ASP 68.A OD1 no hydrogen 2.842 N/A ARG 33.A NH2 ASP 68.A OD1 no hydrogen 2.798 N/A ARG 35.A N ILE 52.A O no hydrogen 3.163 N/A ARG 35.A NE LEU 53.A O no hydrogen 3.087 N/A ARG 35.A NH2 ARG 50.A O no hydrogen 2.845 N/A ASP 39.A N GLN 37.A OE1 no hydrogen 3.258 N/A TYR 41.A N GLY 32.A O no hydrogen 2.504 N/A GLY 43.A N ILE 30.A O no hydrogen 2.725 N/A GLN 47.A N GLY 43.A O no hydrogen 3.152 N/A SER 48.A N ASP 44.A O no hydrogen 3.093 N/A SER 48.A OG ASP 44.A O no hydrogen 3.259 N/A LYS 49.A N GLU 45.A O no hydrogen 2.983 N/A LYS 49.A N ALA 46.A O no hydrogen 3.300 N/A ARG 50.A N GLN 47.A O no hydrogen 3.168 N/A ILE 52.A N LYS 49.A O no hydrogen 2.866 N/A LEU 53.A N ARG 50.A O no hydrogen 3.187 N/A THR 54.A N ARG 33.A O no hydrogen 2.769 N/A LYS 56.A N VAL 31.A O no hydrogen 3.071 N/A GLU 60.A N ILE 62.A O no hydrogen 2.920 N/A ILE 62.A N GLU 60.A O no hydrogen 3.027 N/A THR 64.A N PRO 58.A O no hydrogen 2.743 N/A THR 64.A OG1 PRO 58.A O no hydrogen 2.886 N/A ASN 65.A N PRO 58.A O no hydrogen 3.393 N/A ASP 67.A N ASN 65.A OD1 no hydrogen 3.155 N/A ASP 68.A N ASN 65.A OD1 no hydrogen 3.323 N/A MET 69.A N ASN 65.A O no hydrogen 3.016 N/A GLU 70.A N TRP 66.A O no hydrogen 3.013 N/A LYS 71.A N ASP 67.A O no hydrogen 3.387 N/A ILE 72.A N ASP 68.A O no hydrogen 3.039 N/A TRP 73.A N MET 69.A O no hydrogen 3.052 N/A TRP 73.A NE1 ASN 8.A OD1 no hydrogen 2.914 N/A HIS 74.A N GLU 70.A O no hydrogen 2.904 N/A HIS 75.A N LYS 71.A O no hydrogen 2.785 N/A HIS 75.A ND1 ASN 79.A OD1 no hydrogen 3.048 N/A HIS 75.A NE2 GLU 80.A OE2 no hydrogen 2.831 N/A THR 76.A N ILE 72.A O no hydrogen 2.836 N/A THR 76.A OG1 ILE 72.A O no hydrogen 2.925 N/A PHE 77.A N TRP 73.A O no hydrogen 3.039 N/A TYR 78.A N HIS 74.A O no hydrogen 3.114 N/A ASN 79.A N HIS 75.A O no hydrogen 3.132 N/A GLU 80.A N HIS 75.A O no hydrogen 2.996 N/A LEU 81.A N THR 76.A O no hydrogen 2.858 N/A VAL 83.A N PHE 77.A O no hydrogen 2.956 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.592 N/A GLU 87.A N ALA 84.A O no hydrogen 2.825 N/A HIS 88.A N PRO 85.A O no hydrogen 2.933 N/A HIS 88.A ND1 ALA 84.A O no hydrogen 3.101 N/A THR 90.A N ALA 118.A O no hydrogen 2.978 N/A THR 90.A OG1 HIS 88.A O no hydrogen 3.261 N/A LEU 91.A N LEU 4.A O no hydrogen 2.886 N/A LEU 92.A N TYR 120.A O no hydrogen 2.768 N/A THR 93.A OG1 ASP 7.A OD2 no hydrogen 2.733 N/A GLU 94.A N ALA 122.A O no hydrogen 2.784 N/A ASN 98.A ND2 GLU 94.A OE1 no hydrogen 2.827 N/A ASN 102.A N PRO 99.A O no hydrogen 2.820 N/A ASN 102.A ND2 ILE 63.A O no hydrogen 3.225 N/A ARG 103.A N PRO 99.A O no hydrogen 3.311 N/A ARG 103.A NE GLU 94.A OE2 no hydrogen 2.630 N/A ARG 103.A NH1 VAL 357.A O no hydrogen 2.878 N/A ARG 103.A NH2 GLU 94.A OE2 no hydrogen 3.301 N/A ARG 103.A NH2 VAL 357.A O no hydrogen 3.311 N/A GLU 104.A N LYS 100.A O no hydrogen 2.991 N/A LYS 105.A N ALA 101.A O no hydrogen 2.858 N/A MET 106.A N ASN 102.A O no hydrogen 2.808 N/A THR 107.A N ARG 103.A O no hydrogen 3.115 N/A THR 107.A OG1 ARG 103.A O no hydrogen 2.913 N/A GLN 108.A N GLU 104.A O no hydrogen 2.956 N/A ILE 109.A N LYS 105.A O no hydrogen 3.095 N/A MET 110.A N MET 106.A O no hydrogen 3.110 N/A PHE 111.A N THR 107.A O no hydrogen 3.083 N/A GLU 112.A N GLN 108.A O no hydrogen 2.793 N/A THR 113.A N ILE 109.A O no hydrogen 2.753 N/A PHE 114.A N ILE 109.A O no hydrogen 3.075 N/A PHE 114.A N MET 110.A O no hydrogen 3.182 N/A ASN 115.A ND2 PHE 111.A O no hydrogen 2.981 N/A VAL 116.A N MET 110.A O no hydrogen 3.303 N/A MET 119.A N ILE 344.A O no hydrogen 2.927 N/A TYR 120.A N THR 90.A O no hydrogen 3.088 N/A ALA 122.A N LEU 92.A O no hydrogen 2.989 N/A GLN 124.A N GLU 94.A O no hydrogen 2.957 N/A GLN 124.A NE2 THR 93.A OG1 no hydrogen 3.352 N/A LEU 127.A N ILE 123.A O no hydrogen 3.257 N/A SER 128.A N GLN 124.A O no hydrogen 3.131 N/A SER 128.A OG SER 287.A OG no hydrogen 2.649 N/A LEU 129.A N ALA 125.A O no hydrogen 3.082 N/A TYR 130.A N VAL 126.A O no hydrogen 3.078 N/A TYR 130.A OH GLY 155.A O no hydrogen 2.946 N/A ALA 131.A N LEU 127.A O no hydrogen 3.016 N/A SER 132.A N SER 128.A O no hydrogen 3.099 N/A SER 132.A N LEU 129.A O no hydrogen 2.967 N/A SER 132.A OG LEU 129.A O no hydrogen 2.843 N/A GLY 133.A N TYR 130.A O no hydrogen 3.055 N/A ARG 134.A N LEU 129.A O no hydrogen 3.282 N/A ARG 134.A NE SER 132.A OG no hydrogen 3.139 N/A ARG 134.A NH1 ASN 283.A OD1 no hydrogen 3.328 N/A ARG 134.A NH2 SER 132.A O no hydrogen 2.981 N/A GLY 137.A N ILE 152.A O no hydrogen 2.889 N/A ILE 138.A N ASN 283.A O no hydrogen 2.994 N/A VAL 139.A N VAL 150.A O no hydrogen 2.757 N/A LEU 140.A N VAL 285.A O no hydrogen 2.926 N/A ASP 141.A N HIS 148.A O no hydrogen 3.027 N/A SER 142.A N SER 287.A O no hydrogen 2.874 N/A SER 142.A OG THR 147.A OG1 no hydrogen 2.754 N/A GLY 143.A N VAL 146.A O no hydrogen 3.300 N/A THR 147.A N LEU 165.A O no hydrogen 2.806 N/A THR 147.A OG1 SER 142.A OG no hydrogen 2.754 N/A THR 147.A OG1 LEU 167.A O no hydrogen 2.697 N/A HIS 148.A N ASP 141.A O no hydrogen 2.857 N/A ASN 149.A N MET 163.A O no hydrogen 3.064 N/A VAL 150.A N VAL 139.A O no hydrogen 2.792 N/A ILE 152.A N GLY 137.A O no hydrogen 2.649 N/A TYR 153.A N TYR 156.A O no hydrogen 2.760 N/A GLU 154.A N THR 136.A OG1 no hydrogen 2.810 N/A GLY 155.A N THR 135.A O no hydrogen 2.761 N/A TYR 156.A N TYR 153.A O no hydrogen 3.091 N/A LEU 158.A N PRO 151.A O no hydrogen 3.022 N/A HIS 160.A NE2 LYS 271.A O no hydrogen 3.114 N/A ALA 161.A N LEU 158.A O no hydrogen 2.866 N/A ILE 162.A N PRO 159.A O no hydrogen 3.221 N/A MET 163.A N ASN 149.A O no hydrogen 3.286 N/A LEU 165.A N THR 147.A O no hydrogen 2.818 N/A LEU 167.A N LEU 165.A O no hydrogen 2.728 N/A ALA 168.A N ASP 171.A OD2 no hydrogen 2.857 N/A GLY 169.A N GLY 143.A O no hydrogen 2.826 N/A ARG 170.A N ASP 144.A O no hydrogen 3.005 N/A ARG 170.A NE ASP 144.A OD2 no hydrogen 2.884 N/A ARG 170.A NH2 ASP 144.A OD2 no hydrogen 2.999 N/A LEU 172.A N ALA 168.A O no hydrogen 3.122 N/A THR 173.A N GLY 169.A O no hydrogen 2.775 N/A THR 173.A OG1 GLY 169.A O no hydrogen 3.292 N/A ASP 174.A N ARG 170.A O no hydrogen 2.956 N/A TYR 175.A N ASP 171.A O no hydrogen 3.063 N/A LEU 176.A N LEU 172.A O no hydrogen 3.015 N/A MET 177.A N THR 173.A O no hydrogen 2.788 N/A LYS 178.A N ASP 174.A O no hydrogen 2.792 N/A ILE 179.A N TYR 175.A O no hydrogen 2.976 N/A LEU 180.A N LEU 176.A O no hydrogen 3.020 N/A THR 181.A N MET 177.A O no hydrogen 2.997 N/A THR 181.A OG1 MET 177.A O no hydrogen 2.698 N/A GLU 182.A N LYS 178.A O no hydrogen 3.099 N/A GLY 184.A N THR 181.A O no hydrogen 2.801 N/A THR 189.A OG1 PHE 187.A O no hydrogen 2.853 N/A THR 190.A OG1 THR 189.A O no hydrogen 2.081 N/A ARG 193.A NH1 ASP 174.A OD1 no hydrogen 2.746 N/A GLU 194.A N THR 190.A O no hydrogen 2.991 N/A ILE 195.A N GLU 192.A O no hydrogen 3.026 N/A VAL 196.A N GLU 192.A O no hydrogen 3.162 N/A ARG 197.A N ARG 193.A O no hydrogen 3.322 N/A ARG 197.A NH1 GLU 201.A OE2 no hydrogen 3.083 N/A ASP 198.A N GLU 194.A O no hydrogen 3.204 N/A ILE 199.A N ILE 195.A O no hydrogen 3.015 N/A LYS 200.A N VAL 196.A O no hydrogen 2.885 N/A LYS 200.A NZ GLY 169.A O no hydrogen 3.320 N/A LYS 200.A NZ THR 173.A OG1 no hydrogen 2.887 N/A GLU 201.A N ARG 197.A O no hydrogen 2.927 N/A LYS 202.A N ASP 198.A O no hydrogen 3.083 N/A LYS 202.A NZ ASP 198.A OD2 no hydrogen 3.033 N/A LEU 203.A N ILE 199.A O no hydrogen 2.770 N/A CYS 204.A N LYS 200.A O no hydrogen 3.243 N/A TYR 205.A N ARG 241.A O no hydrogen 3.155 N/A TYR 205.A OH GLU 213.A OE1 no hydrogen 2.849 N/A VAL 206.A N PRO 294.A O no hydrogen 2.856 N/A ASN 212.A N ASP 209.A OD1 no hydrogen 2.868 N/A ASN 212.A ND2 ASP 209.A OD1 no hydrogen 2.783 N/A GLU 213.A N ASP 209.A O no hydrogen 2.979 N/A MET 214.A N PHE 210.A O no hydrogen 3.005 N/A ALA 215.A N GLU 211.A O no hydrogen 2.860 N/A THR 216.A N ASN 212.A O no hydrogen 2.765 N/A THR 216.A OG1 ASN 212.A O no hydrogen 2.932 N/A ALA 217.A N GLU 213.A O no hydrogen 2.730 N/A ALA 218.A N MET 214.A O no hydrogen 3.015 N/A ALA 218.A N ALA 215.A O no hydrogen 3.217 N/A SER 219.A N ALA 215.A O no hydrogen 3.084 N/A SER 219.A N THR 216.A O no hydrogen 3.134 N/A SER 219.A OG ALA 215.A O no hydrogen 3.045 N/A SER 220.A OG THR 216.A O no hydrogen 3.514 N/A GLU 224.A N SER 221.A O no hydrogen 3.062 N/A LYS 225.A N ILE 237.A O no hydrogen 2.925 N/A TYR 227.A N ILE 235.A O no hydrogen 2.736 N/A TYR 227.A OH ASP 198.A OD1 no hydrogen 2.629 N/A LEU 229.A N GLN 233.A O no hydrogen 3.223 N/A GLN 233.A N ASP 231.A OD2 no hydrogen 3.324 N/A GLN 233.A NE2 ASP 231.A OD1 no hydrogen 3.431 N/A ILE 235.A N TYR 227.A O no hydrogen 3.244 N/A THR 236.A OG1 GLU 224.A OE1 no hydrogen 2.764 N/A ILE 237.A N LYS 225.A O no hydrogen 2.777 N/A GLY 238.A N GLU 240.A OE1 no hydrogen 2.974 N/A GLU 240.A N GLU 240.A OE1 no hydrogen 2.984 N/A ARG 241.A N GLY 238.A O no hydrogen 3.024 N/A ARG 241.A NE LEU 203.A O no hydrogen 2.763 N/A ARG 241.A NH1 LEU 223.A O no hydrogen 2.753 N/A ARG 241.A NH2 LEU 203.A O no hydrogen 3.491 N/A PHE 242.A N ASN 239.A O no hydrogen 3.232 N/A ARG 243.A N ASN 239.A O no hydrogen 2.897 N/A CYS 244.A N GLU 240.A O no hydrogen 3.160 N/A CYS 244.A SG LEU 172.A O no hydrogen 3.254 N/A GLU 246.A N PHE 242.A O no hydrogen 3.075 N/A THR 247.A N CYS 244.A O no hydrogen 3.375 N/A THR 247.A OG1 CYS 244.A O no hydrogen 2.915 N/A LEU 248.A N PRO 245.A O no hydrogen 2.975 N/A PHE 249.A N GLU 246.A O no hydrogen 2.724 N/A GLN 250.A N GLU 246.A O no hydrogen 3.005 N/A GLN 250.A NE2 GLU 246.A OE2 no hydrogen 2.868 N/A PHE 253.A N GLN 250.A O no hydrogen 3.036 N/A ILE 254.A N PRO 251.A O no hydrogen 3.093 N/A GLY 255.A N SER 252.A O no hydrogen 3.154 N/A MET 256.A N PRO 251.A O no hydrogen 3.055 N/A GLY 260.A N GLU 263.A OE2 no hydrogen 2.918 N/A ILE 261.A N LEU 248.A O no hydrogen 2.969 N/A THR 264.A N GLY 260.A O no hydrogen 3.049 N/A THR 264.A OG1 ASN 149.A OD1 no hydrogen 2.522 N/A THR 264.A OG1 ILE 261.A O no hydrogen 3.361 N/A THR 265.A N ILE 261.A O no hydrogen 3.111 N/A THR 265.A OG1 ILE 261.A O no hydrogen 2.808 N/A TYR 266.A N HIS 262.A O no hydrogen 3.084 N/A ASN 267.A N GLU 263.A O no hydrogen 2.896 N/A SER 268.A N THR 264.A O no hydrogen 3.061 N/A SER 268.A OG ALA 161.A O no hydrogen 2.912 N/A ILE 269.A N THR 265.A O no hydrogen 3.096 N/A MET 270.A N TYR 266.A O no hydrogen 2.890 N/A LYS 271.A N SER 268.A O no hydrogen 3.113 N/A CYS 272.A N ILE 269.A O no hydrogen 3.045 N/A CYS 272.A SG SER 268.A O no hydrogen 3.440 N/A ASP 275.A N ASP 273.A OD2 no hydrogen 2.724 N/A ILE 276.A N ASP 273.A O no hydrogen 2.857 N/A ARG 277.A NH1 CYS 272.A O no hydrogen 2.725 N/A LEU 280.A N ILE 276.A O no hydrogen 3.335 N/A TYR 281.A N ARG 277.A O no hydrogen 2.931 N/A ALA 282.A N LYS 278.A O no hydrogen 3.182 N/A ASN 283.A N LEU 280.A O no hydrogen 3.033 N/A ASN 283.A ND2 ASP 279.A O no hydrogen 2.592 N/A ASN 284.A N LYS 315.A O no hydrogen 3.130 N/A ASN 284.A ND2 TYR 281.A O no hydrogen 3.166 N/A ASN 284.A ND2 LYS 315.A O no hydrogen 3.445 N/A VAL 285.A N ILE 138.A O no hydrogen 3.192 N/A MET 286.A N ILE 317.A O no hydrogen 2.889 N/A SER 287.A N LEU 140.A O no hydrogen 2.776 N/A SER 287.A OG SER 128.A OG no hydrogen 2.649 N/A GLY 288.A N ARG 322.A O no hydrogen 2.846 N/A THR 290.A N SER 142.A O no hydrogen 3.041 N/A THR 290.A OG1 GLY 143.A O no hydrogen 2.748 N/A THR 291.A N GLY 288.A O no hydrogen 3.202 N/A THR 291.A OG1 GLY 288.A O no hydrogen 2.740 N/A MET 292.A N GLY 289.A O no hydrogen 3.170 N/A ILE 296.A N TYR 293.A O no hydrogen 3.239 N/A ARG 299.A N GLY 295.A O no hydrogen 3.135 N/A ARG 299.A NE GLU 303.A OE1 no hydrogen 2.855 N/A ARG 299.A NH1 ALA 207.A O no hydrogen 3.034 N/A ARG 299.A NH1 GLU 246.A OE1 no hydrogen 2.856 N/A ARG 299.A NH2 GLU 246.A OE2 no hydrogen 3.017 N/A ARG 299.A NH2 GLU 303.A OE1 no hydrogen 3.285 N/A MET 300.A N ILE 296.A O no hydrogen 3.034 N/A GLN 301.A N ALA 297.A O no hydrogen 2.998 N/A GLN 301.A NE2 ILE 314.A O no hydrogen 2.720 N/A LYS 302.A N ASP 298.A O no hydrogen 3.016 N/A LYS 302.A NZ LEU 208.A O no hydrogen 3.083 N/A LYS 302.A NZ ASP 209.A OD2 no hydrogen 3.442 N/A GLU 303.A N ARG 299.A O no hydrogen 2.983 N/A ILE 304.A N MET 300.A O no hydrogen 2.978 N/A THR 305.A N GLN 301.A O no hydrogen 3.062 N/A THR 305.A OG1 GLN 301.A O no hydrogen 2.542 N/A THR 305.A OG1 GLN 301.A OE1 no hydrogen 3.364 N/A ALA 306.A N LYS 302.A O no hydrogen 3.035 N/A LEU 307.A N ILE 304.A O no hydrogen 2.894 N/A ALA 308.A N ILE 304.A O no hydrogen 2.728 N/A MET 312.A N PRO 309.A O no hydrogen 2.905 N/A LYS 315.A N TYR 281.A O no hydrogen 2.909 N/A ILE 317.A N ASN 284.A O no hydrogen 2.589 N/A ARG 322.A N PRO 319.A O no hydrogen 3.285 N/A ARG 322.A NE THR 291.A O no hydrogen 2.992 N/A ARG 322.A NH1 THR 291.A O no hydrogen 2.731 N/A ARG 322.A NH2 PRO 319.A O no hydrogen 2.723 N/A TYR 324.A N GLU 321.A O no hydrogen 2.696 N/A TRP 327.A NE1 VAL 5.A O no hydrogen 2.904 N/A ILE 328.A N TYR 324.A O no hydrogen 2.902 N/A GLY 329.A N SER 325.A O no hydrogen 2.819 N/A GLY 330.A N VAL 326.A O no hydrogen 3.106 N/A SER 331.A N TRP 327.A O no hydrogen 2.764 N/A SER 331.A OG ASP 20.A O no hydrogen 2.556 N/A ILE 332.A N ILE 328.A O no hydrogen 2.862 N/A LEU 333.A N GLY 329.A O no hydrogen 2.958 N/A ALA 334.A N GLY 330.A O no hydrogen 2.913 N/A SER 335.A N ILE 332.A O no hydrogen 3.028 N/A SER 335.A OG SER 331.A O no hydrogen 2.800 N/A LEU 336.A N ILE 332.A O no hydrogen 3.288 N/A LEU 336.A N LEU 333.A O no hydrogen 3.176 N/A PHE 339.A N LEU 336.A O no hydrogen 2.858 N/A GLN 341.A NE2 GLN 340.A OE1 no hydrogen 2.952 N/A MET 342.A N PHE 339.A O no hydrogen 2.941 N/A ILE 344.A N MET 119.A O no hydrogen 2.893 N/A THR 345.A N GLU 348.A OE1 no hydrogen 2.599 N/A LYS 346.A N PRO 117.A O no hydrogen 3.010 N/A LYS 346.A NZ ASP 350.A OD1 no hydrogen 3.365 N/A GLU 348.A N THR 345.A OG1 no hydrogen 3.328 N/A TYR 349.A N THR 345.A O no hydrogen 3.058 N/A TYR 349.A OH GLU 112.A OE2 no hydrogen 2.549 N/A ASP 350.A N LYS 346.A O no hydrogen 2.676 N/A GLU 351.A N GLN 347.A O no hydrogen 2.854 N/A ALA 352.A N GLU 348.A O no hydrogen 2.788 N/A ALA 352.A N TYR 349.A O no hydrogen 3.092 N/A GLY 353.A N TYR 349.A O no hydrogen 2.657 N/A ILE 356.A N GLY 353.A O no hydrogen 3.106 N/A VAL 357.A N PRO 354.A O no hydrogen 3.182 N/A HIS 358.A N SER 355.A O no hydrogen 3.351 N/A