Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wdu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH GLU 190.A OE2 no hydrogen 2.485 N/A HIS 2.A N ALA 295.A O no hydrogen 3.121 N/A VAL 4.A N VAL 293.A O no hydrogen 3.010 N/A ASP 5.A N VAL 293.A O no hydrogen 3.180 N/A TYR 7.A N LEU 291.A O no hydrogen 2.986 N/A TYR 7.A OH TYR 77.A OH no hydrogen 2.491 N/A GLY 8.A N ASP 6.A OD1 no hydrogen 2.859 N/A GLY 10.A N THR 51.A OG1 no hydrogen 3.076 N/A PHE 13.A N ARG 9.A O no hydrogen 3.107 N/A PHE 14.A N GLY 10.A O no hydrogen 3.021 N/A ASP 15.A N ASN 11.A O no hydrogen 2.984 N/A LYS 16.A N PHE 13.A O no hydrogen 3.107 N/A LYS 16.A NZ ASP 5.A OD1 no hydrogen 2.682 N/A LYS 16.A NZ ASP 5.A OD2 no hydrogen 3.389 N/A PHE 17.A N PHE 14.A O no hydrogen 3.094 N/A ASN 18.A N GLU 72.A O no hydrogen 2.818 N/A PHE 20.A N ARG 70.A O no hydrogen 2.903 N/A THR 26.A N ASP 24.A OD1 no hydrogen 3.388 N/A THR 26.A OG1 ASP 24.A OD1 no hydrogen 2.975 N/A THR 26.A OG1 ASP 24.A OD2 no hydrogen 2.533 N/A HIS 27.A N ASP 24.A O no hydrogen 2.873 N/A HIS 27.A ND1 ASP 252.A OD1 no hydrogen 3.131 N/A HIS 27.A ND1 ASP 252.A OD2 no hydrogen 3.157 N/A GLY 28.A N ASP 24.A OD2 no hydrogen 2.765 N/A TYR 29.A N PHE 249.A O no hydrogen 2.764 N/A ASP 31.A N ARG 66.A O no hydrogen 2.920 N/A VAL 33.A N SER 68.A O no hydrogen 3.025 N/A ARG 35.A NH1 ASP 15.A OD1 no hydrogen 2.838 N/A ARG 35.A NH2 ASN 11.A O no hydrogen 3.426 N/A ARG 35.A NH2 ASN 11.A OD1 no hydrogen 3.393 N/A ARG 35.A NH2 ASP 15.A OD1 no hydrogen 3.156 N/A VAL 37.A N SER 34.A OG no hydrogen 3.358 N/A ALA 38.A N SER 34.A O no hydrogen 2.954 N/A ALA 39.A N ARG 35.A O no hydrogen 2.814 N/A GLY 40.A N ASP 36.A O no hydrogen 2.824 N/A ALA 41.A N ALA 38.A O no hydrogen 3.045 N/A GLY 42.A N ALA 39.A O no hydrogen 3.395 N/A LEU 43.A N ALA 38.A O no hydrogen 2.739 N/A GLY 45.A N TYR 52.A O no hydrogen 3.086 N/A ARG 47.A N ARG 50.A O no hydrogen 2.727 N/A ARG 47.A NH1 GLU 46.A O no hydrogen 2.831 N/A ARG 50.A N ARG 47.A O no hydrogen 3.013 N/A ARG 50.A NE ARG 47.A O no hydrogen 2.890 N/A THR 51.A N VAL 288.A O no hydrogen 3.020 N/A TYR 52.A N GLY 45.A O no hydrogen 2.711 N/A MET 53.A N TRP 286.A O no hydrogen 3.213 N/A GLY 54.A N LEU 43.A O no hydrogen 2.767 N/A ASP 56.A N ARG 67.A O no hydrogen 3.007 N/A THR 58.A N ASP 56.A OD1 no hydrogen 2.818 N/A ASN 59.A N ASP 56.A OD1 no hydrogen 2.905 N/A ALA 61.A N ARG 275.A O no hydrogen 3.016 N/A ARG 64.A NE ASP 31.A OD1 no hydrogen 2.630 N/A ARG 64.A NH1 THR 21.A O no hydrogen 3.045 N/A ARG 64.A NH1 ASP 23.A OD1 no hydrogen 2.883 N/A ARG 64.A NH2 THR 21.A O no hydrogen 2.737 N/A ARG 64.A NH2 ASP 31.A OD1 no hydrogen 3.068 N/A GLY 65.A N SER 62.A O no hydrogen 3.350 N/A ARG 66.A N TYR 29.A O no hydrogen 3.311 N/A ARG 66.A NE VAL 274.A O no hydrogen 2.885 N/A ARG 66.A NH1 ASP 56.A O no hydrogen 2.678 N/A ARG 66.A NH1 ASN 59.A O no hydrogen 2.811 N/A ARG 66.A NH2 ASN 59.A O no hydrogen 2.888 N/A ARG 66.A NH2 VAL 274.A O no hydrogen 2.967 N/A ARG 66.A NH2 ARG 275.A O no hydrogen 3.318 N/A ARG 67.A NE ASP 56.A OD2 no hydrogen 3.141 N/A ARG 67.A NH2 ASP 56.A OD2 no hydrogen 3.038 N/A SER 68.A N ASP 31.A O no hydrogen 3.113 N/A SER 68.A OG VAL 69.A O no hydrogen 3.510 N/A SER 68.A OG VAL 247.A O no hydrogen 2.778 N/A ARG 70.A NE GLU 72.A OE1 no hydrogen 2.769 N/A ARG 70.A NH2 GLU 72.A OE1 no hydrogen 2.966 N/A LEU 71.A N PHE 245.A O no hydrogen 2.769 N/A GLU 72.A N ASN 18.A O no hydrogen 3.114 N/A SER 73.A N LEU 243.A O no hydrogen 2.813 N/A SER 73.A OG ASN 75.A O no hydrogen 2.874 N/A SER 73.A OG LEU 243.A O no hydrogen 3.562 N/A LYS 74.A N LYS 16.A O no hydrogen 2.999 N/A LYS 74.A NZ ASP 15.A O no hydrogen 2.843 N/A TYR 77.A N GLN 241.A O no hydrogen 2.823 N/A TYR 77.A OH ASP 5.A OD2 no hydrogen 2.638 N/A TYR 77.A OH TYR 7.A OH no hydrogen 2.491 N/A GLY 80.A N ILE 191.A O no hydrogen 3.099 N/A LEU 81.A N TYR 294.A O no hydrogen 3.012 N/A ILE 82.A N THR 189.A O no hydrogen 2.757 N/A VAL 83.A N ARG 292.A O no hydrogen 2.834 N/A ILE 84.A N TYR 187.A O no hydrogen 3.078 N/A ASP 85.A N SER 290.A O no hydrogen 2.967 N/A LEU 86.A N GLY 185.A O no hydrogen 2.867 N/A ALA 87.A N LEU 287.A O no hydrogen 2.883 N/A HIS 88.A ND1 TYR 285.A O no hydrogen 3.068 N/A HIS 88.A NE2 GLU 283.A OE1 no hydrogen 2.815 N/A MET 89.A N ASN 180.A OD1 no hydrogen 2.680 N/A GLY 91.A N GLU 283.A O no hydrogen 2.905 N/A SER 92.A OG ASN 123.A O no hydrogen 2.659 N/A GLY 95.A N ASN 121.A OD1 no hydrogen 2.702 N/A THR 96.A N VAL 93.A O no hydrogen 3.120 N/A THR 96.A OG1 VAL 93.A O no hydrogen 2.625 N/A TRP 97.A N THR 248.A O no hydrogen 2.860 N/A TRP 97.A NE1 GLU 118.A OE2 no hydrogen 2.889 N/A ALA 99.A N ASP 246.A O no hydrogen 2.909 N/A PHE 100.A N ILE 117.A O no hydrogen 2.787 N/A TRP 101.A N ILE 244.A O no hydrogen 2.997 N/A TRP 101.A NE1 ASP 246.A OD2 no hydrogen 2.937 N/A THR 102.A N ILE 114.A O no hydrogen 2.721 N/A THR 102.A OG1 GLN 241.A OE1 no hydrogen 2.821 N/A LEU 103.A N ARG 242.A O no hydrogen 3.009 N/A GLY 104.A N GLY 112.A O no hydrogen 2.819 N/A THR 105.A N ASN 239.A OD1 no hydrogen 2.749 N/A TRP 108.A NE1 GLU 113.A OE1 no hydrogen 2.674 N/A TYR 110.A N ASP 107.A O no hydrogen 2.945 N/A GLY 112.A N PRO 109.A O no hydrogen 2.885 N/A ILE 114.A N THR 102.A O no hydrogen 2.883 N/A ASP 115.A N VAL 129.A O no hydrogen 2.715 N/A ILE 116.A N PHE 100.A O no hydrogen 3.069 N/A ILE 117.A N PHE 100.A O no hydrogen 2.974 N/A GLU 118.A N ASN 126.A OD1 no hydrogen 2.892 N/A ASN 121.A N THR 96.A O no hydrogen 2.966 N/A ASN 121.A ND2 ALA 254.A O no hydrogen 3.399 N/A ASN 123.A N VAL 120.A O no hydrogen 2.950 N/A ASN 126.A N SER 174.A OG no hydrogen 3.136 N/A ASN 126.A ND2 ILE 116.A O no hydrogen 3.180 N/A HIS 127.A N GLU 118.A O no hydrogen 3.253 N/A HIS 127.A ND1 GLU 118.A O no hydrogen 3.023 N/A MET 128.A N ILE 167.A O no hydrogen 3.025 N/A VAL 129.A N ASP 115.A O no hydrogen 3.078 N/A LEU 130.A N CYS 165.A O no hydrogen 3.224 N/A HIS 131.A N GLU 113.A O no hydrogen 2.979 N/A THR 132.A N CYS 152.A O no hydrogen 2.866 N/A THR 132.A OG1 SER 133.A O no hydrogen 2.875 N/A THR 137.A N GLY 231.A O no hydrogen 2.961 N/A ILE 138.A N SER 150.A O no hydrogen 2.983 N/A ASP 139.A N ALA 228.A O no hydrogen 2.942 N/A THR 144.A N PRO 223.A O no hydrogen 2.968 N/A GLY 145.A N ALA 224.A O no hydrogen 2.758 N/A ASN 146.A N GLU 168.A O no hydrogen 2.743 N/A LYS 148.A N GLY 166.A O no hydrogen 2.853 N/A THR 149.A N GLY 166.A O no hydrogen 3.373 N/A THR 149.A OG1 GLY 164.A O no hydrogen 2.702 N/A CYS 152.A N CYS 136.A O no hydrogen 2.867 N/A TYR 153.A N ASN 151.A OD1 no hydrogen 2.996 N/A VAL 154.A N THR 132.A O no hydrogen 3.123 N/A ALA 156.A N TYR 153.A O no hydrogen 3.043 N/A GLN 159.A N ALA 156.A O no hydrogen 3.279 N/A ASN 162.A N VAL 154.A O no hydrogen 2.656 N/A ALA 163.A N ASP 160.A O no hydrogen 2.981 N/A CYS 165.A N LEU 130.A O no hydrogen 3.098 N/A CYS 165.A SG LEU 130.A O no hydrogen 3.711 N/A CYS 165.A SG CYS 165.A O no hydrogen 2.911 N/A GLY 166.A N THR 149.A OG1 no hydrogen 2.791 N/A ILE 167.A N MET 128.A O no hydrogen 2.957 N/A GLU 168.A N ASN 146.A O no hydrogen 2.716 N/A ALA 169.A N ASN 126.A O no hydrogen 3.055 N/A ASN 173.A N ASP 171.A OD1 no hydrogen 2.572 N/A SER 174.A N ASP 171.A O no hydrogen 2.894 N/A SER 174.A OG ASP 171.A O no hydrogen 2.736 N/A LYS 177.A N SER 92.A OG no hydrogen 3.184 N/A PHE 179.A N TYR 175.A O no hydrogen 3.286 N/A ASN 180.A N GLY 176.A O no hydrogen 2.859 N/A ASN 180.A ND2 MET 89.A O no hydrogen 2.768 N/A SER 181.A N LYS 177.A O no hydrogen 2.909 N/A SER 181.A OG GLY 178.A O no hydrogen 2.664 N/A ILE 182.A N GLY 178.A O no hydrogen 3.358 N/A GLY 183.A N ASN 180.A O no hydrogen 2.960 N/A GLY 184.A N PHE 179.A O no hydrogen 2.740 N/A GLY 185.A N LEU 86.A O no hydrogen 2.972 N/A ILE 186.A N PHE 201.A O no hydrogen 2.847 N/A TYR 187.A N ILE 84.A O no hydrogen 2.967 N/A TYR 187.A OH SER 174.A O no hydrogen 2.709 N/A ALA 188.A N TRP 199.A O no hydrogen 2.916 N/A THR 189.A N ILE 82.A O no hydrogen 2.785 N/A GLU 190.A N SER 197.A O no hydrogen 2.786 N/A ILE 191.A N GLY 80.A O no hydrogen 2.889 N/A THR 192.A N GLY 195.A O no hydrogen 2.923 N/A THR 192.A OG1 GLY 195.A O no hydrogen 3.258 N/A ASN 194.A N THR 192.A OG1 no hydrogen 2.923 N/A GLY 195.A N THR 192.A O no hydrogen 3.127 N/A ILE 196.A N PHE 227.A O no hydrogen 2.991 N/A SER 197.A N GLU 190.A O no hydrogen 3.017 N/A ILE 198.A N ALA 225.A O no hydrogen 2.894 N/A TRP 199.A N ALA 188.A O no hydrogen 2.795 N/A TRP 199.A NE1 ASP 221.A O no hydrogen 2.841 N/A PHE 201.A N ILE 186.A O no hydrogen 2.759 N/A ARG 203.A N GLY 184.A O no hydrogen 2.929 N/A ARG 203.A NE GLY 183.A O no hydrogen 3.161 N/A ARG 203.A NH1 ASP 85.A OD1 no hydrogen 3.187 N/A ARG 203.A NH2 ASP 85.A OD1 no hydrogen 2.902 N/A ARG 203.A NH2 GLY 183.A O no hydrogen 3.239 N/A SER 205.A N PRO 202.A O no hydrogen 2.924 N/A SER 205.A OG PRO 202.A O no hydrogen 2.736 N/A GLU 206.A N GLU 206.A OE1 no hydrogen 2.609 N/A VAL 210.A N PRO 207.A O no hydrogen 3.427 N/A GLY 212.A N ASP 209.A O no hydrogen 3.115 N/A ASN 214.A ND2 TYR 1.A O no hydrogen 3.100 N/A ASN 216.A N ASP 209.A OD2 no hydrogen 2.777 N/A ALA 218.A N ASN 216.A OD1 no hydrogen 3.364 N/A ASN 219.A N ASN 216.A O no hydrogen 3.210 N/A TRP 220.A N PRO 217.A O no hydrogen 3.191 N/A TRP 220.A NE1 ASP 209.A OD1 no hydrogen 2.943 N/A ALA 224.A N ILE 198.A O no hydrogen 2.888 N/A ALA 225.A N ILE 198.A O no hydrogen 3.181 N/A PHE 227.A N ILE 196.A O no hydrogen 2.771 N/A CYS 232.A N GLY 229.A O no hydrogen 3.311 N/A TRP 234.A NE1 GLY 229.A O no hydrogen 3.025 N/A GLY 236.A N ASP 233.A OD1 no hydrogen 3.352 N/A LYS 237.A N ASP 233.A O no hydrogen 2.990 N/A ASN 239.A N GLY 111.A O no hydrogen 3.112 N/A ASN 239.A ND2 THR 105.A O no hydrogen 2.954 N/A GLN 241.A N TYR 77.A O no hydrogen 2.482 N/A GLN 241.A NE2 GLY 111.A O no hydrogen 2.861 N/A GLN 241.A NE2 ASN 239.A O no hydrogen 3.002 N/A ARG 242.A N LEU 103.A O no hydrogen 3.040 N/A ARG 242.A NE GLU 72.A OE2 no hydrogen 3.116 N/A ARG 242.A NH2 GLU 72.A OE2 no hydrogen 2.989 N/A LEU 243.A N SER 73.A OG no hydrogen 2.794 N/A ILE 244.A N TRP 101.A O no hydrogen 2.673 N/A PHE 245.A N LEU 71.A O no hydrogen 2.799 N/A ASP 246.A N ALA 99.A O no hydrogen 3.091 N/A THR 248.A N TRP 97.A O no hydrogen 3.110 N/A THR 248.A OG1 ASP 24.A OD2 no hydrogen 2.752 N/A CYS 250.A N GLY 95.A O no hydrogen 2.732 N/A ASP 252.A N THR 26.A O no hydrogen 3.006 N/A ASN 256.A N GLY 251.A O no hydrogen 3.214 N/A VAL 257.A N TRP 253.A O no hydrogen 2.941 N/A TRP 258.A N GLY 255.A O no hydrogen 3.440 N/A TRP 258.A NE1 ALA 267.A O no hydrogen 3.084 N/A ILE 260.A N VAL 257.A O no hydrogen 3.434 N/A ALA 264.A N GLY 261.A O no hydrogen 3.485 N/A ARG 266.A N CYS 263.A O no hydrogen 2.836 N/A CYS 270.A SG GLY 95.A O no hydrogen 3.820 N/A PHE 273.A N ASN 269.A O no hydrogen 3.467 N/A VAL 274.A N CYS 270.A O no hydrogen 2.973 N/A ARG 275.A N VAL 271.A O no hydrogen 2.801 N/A ARG 275.A NE ASP 276.A OD1 no hydrogen 2.619 N/A ARG 275.A NH1 ASP 272.A OD1 no hydrogen 3.209 N/A ARG 275.A NH2 ASP 272.A OD1 no hydrogen 2.641 N/A ARG 275.A NH2 ASP 276.A OD2 no hydrogen 2.868 N/A ASP 276.A N ASP 272.A O no hydrogen 3.126 N/A ASN 277.A N PHE 273.A O no hydrogen 2.979 N/A ASN 277.A ND2 PHE 273.A O no hydrogen 2.973 N/A ALA 280.A N ASN 277.A O no hydrogen 3.197 N/A PHE 281.A N PRO 278.A O no hydrogen 3.105 N/A SER 284.A N PHE 281.A O no hydrogen 3.181 N/A TYR 285.A N GLU 283.A O no hydrogen 2.896 N/A TRP 286.A N MET 53.A O no hydrogen 2.762 N/A LEU 287.A N HIS 88.A O no hydrogen 2.896 N/A VAL 288.A N THR 51.A O no hydrogen 2.876 N/A ASN 289.A N ASP 85.A O no hydrogen 2.796 N/A SER 290.A N ASP 85.A O no hydrogen 3.365 N/A ARG 292.A N VAL 83.A O no hydrogen 2.973 N/A ARG 292.A NE ASP 6.A OD2 no hydrogen 3.028 N/A VAL 293.A N ASP 5.A O no hydrogen 2.898 N/A TYR 294.A N LEU 81.A O no hydrogen 2.826 N/A TYR 294.A OH GLY 212.A O no hydrogen 2.589 N/A ALA 295.A N HIS 2.A O no hydrogen 3.012 N/A