Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aw9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 26.A OE2 no hydrogen 3.506 N/A ARG 2.A N ASP 60.A OD2 no hydrogen 2.986 N/A ARG 2.A NH1 LYS 58.A O no hydrogen 2.501 N/A ILE 3.A N GLU 26.A O no hydrogen 2.994 N/A VAL 4.A N VAL 61.A O no hydrogen 2.918 N/A VAL 5.A N VAL 28.A O no hydrogen 2.787 N/A THR 6.A N PHE 63.A O no hydrogen 2.886 N/A THR 6.A OG1 PHE 63.A O no hydrogen 3.513 N/A THR 6.A OG1 HIS 64.A ND1 no hydrogen 2.695 N/A GLY 7.A N VAL 30.A O no hydrogen 2.754 N/A ALA 9.A N ASP 31.A OD2 no hydrogen 3.039 N/A GLY 10.A N GLY 7.A O no hydrogen 2.992 N/A SER 14.A N GLY 10.A O no hydrogen 3.000 N/A SER 14.A OG GLY 10.A O no hydrogen 2.723 N/A SER 14.A OG PHE 11.A O no hydrogen 2.933 N/A HIS 15.A N PHE 11.A O no hydrogen 3.511 N/A HIS 15.A NE2 PRO 164.A O no hydrogen 3.006 N/A LEU 16.A N ILE 12.A O no hydrogen 2.857 N/A VAL 17.A N GLY 13.A O no hydrogen 2.756 N/A ASP 18.A N SER 14.A O no hydrogen 3.053 N/A LYS 19.A N HIS 15.A O no hydrogen 3.171 N/A LYS 19.A NZ GLU 205.A OE1 no hydrogen 2.580 N/A LYS 19.A NZ GLU 205.A OE2 no hydrogen 2.713 N/A LEU 20.A N LEU 16.A O no hydrogen 3.004 N/A VAL 21.A N VAL 17.A O no hydrogen 2.978 N/A GLU 22.A N ASP 18.A O no hydrogen 3.213 N/A LEU 23.A N LYS 19.A O no hydrogen 3.294 N/A GLY 24.A N VAL 21.A O no hydrogen 3.002 N/A TYR 25.A N LEU 20.A O no hydrogen 3.162 N/A GLU 26.A N MET 1.A O no hydrogen 3.326 N/A VAL 28.A N ILE 3.A O no hydrogen 2.820 N/A VAL 29.A N GLU 42.A O no hydrogen 2.853 N/A VAL 30.A N VAL 5.A O no hydrogen 2.969 N/A ASP 31.A N HIS 44.A O no hydrogen 3.132 N/A VAL 33.A N ASP 31.A OD1 no hydrogen 2.901 N/A GLU 42.A N VAL 27.A O no hydrogen 2.895 N/A HIS 44.A N VAL 29.A O no hydrogen 2.825 N/A HIS 44.A NE2 GLU 42.A OE2 no hydrogen 2.490 N/A ARG 46.A N ASP 31.A O no hydrogen 3.166 N/A ARG 46.A NH1 TRP 53.A O no hydrogen 2.682 N/A ARG 46.A NH1 ALA 55.A O no hydrogen 2.912 N/A ARG 46.A NH2 ALA 55.A O no hydrogen 3.483 N/A LYS 49.A N ASP 47.A OD1 no hydrogen 3.167 N/A LYS 49.A NZ ASP 47.A OD1 no hydrogen 2.851 N/A LYS 49.A NZ ASP 47.A OD2 no hydrogen 3.497 N/A LYS 49.A NZ GLU 82.A OE2 no hydrogen 2.658 N/A ASP 50.A N ASP 47.A O no hydrogen 2.944 N/A TYR 51.A OH GLU 92.A OE2 no hydrogen 2.923 N/A SER 52.A N ASP 50.A OD1 no hydrogen 2.872 N/A SER 52.A OG ASP 50.A OD1 no hydrogen 2.965 N/A TRP 53.A N ASP 50.A O no hydrogen 3.018 N/A TRP 53.A NE1 ASN 89.A O no hydrogen 3.184 N/A ALA 55.A N SER 52.A O no hydrogen 3.192 N/A ILE 57.A N GLY 54.A O no hydrogen 2.915 N/A ASP 60.A N ARG 2.A O no hydrogen 2.863 N/A VAL 61.A N ARG 2.A O no hydrogen 3.325 N/A VAL 62.A N THR 101.A O no hydrogen 2.957 N/A PHE 63.A N VAL 4.A O no hydrogen 2.793 N/A HIS 64.A N VAL 103.A O no hydrogen 2.722 N/A HIS 64.A ND1 THR 6.A OG1 no hydrogen 2.695 N/A HIS 64.A NE2 THR 87.A OG1 no hydrogen 3.082 N/A PHE 65.A N THR 6.A O no hydrogen 3.090 N/A PHE 65.A N THR 6.A OG1 no hydrogen 2.866 N/A ALA 66.A N THR 6.A OG1 no hydrogen 3.149 N/A ASN 68.A N ASN 83.A OD1 no hydrogen 3.015 N/A GLU 70.A N ASN 68.A OD1 no hydrogen 3.257 N/A THR 73.A OG1 PRO 264.A O no hydrogen 3.297 N/A VAL 78.A N GLU 75.A O no hydrogen 3.136 N/A HIS 79.A NE2 GLU 70.A O no hydrogen 2.583 N/A PHE 80.A N ILE 77.A O no hydrogen 3.050 N/A ASN 81.A N ILE 77.A O no hydrogen 2.918 N/A GLU 82.A N VAL 78.A O no hydrogen 2.947 N/A ASN 83.A N HIS 79.A O no hydrogen 2.937 N/A ASN 83.A ND2 ASN 68.A O no hydrogen 3.278 N/A VAL 84.A N PHE 80.A O no hydrogen 2.748 N/A VAL 85.A N PHE 80.A O no hydrogen 3.081 N/A ALA 86.A N ASN 81.A O no hydrogen 3.022 N/A THR 87.A OG1 HIS 64.A NE2 no hydrogen 3.082 N/A THR 87.A OG1 ASN 83.A O no hydrogen 2.764 N/A PHE 88.A N VAL 84.A O no hydrogen 3.064 N/A ASN 89.A N VAL 85.A O no hydrogen 2.807 N/A ASN 89.A ND2 LEU 48.A O no hydrogen 2.687 N/A VAL 90.A N ALA 86.A O no hydrogen 2.844 N/A LEU 91.A N THR 87.A O no hydrogen 2.898 N/A GLU 92.A N PHE 88.A O no hydrogen 2.938 N/A TRP 93.A N ASN 89.A O no hydrogen 3.073 N/A TRP 93.A NE1 ILE 57.A O no hydrogen 3.016 N/A ALA 94.A N VAL 90.A O no hydrogen 2.851 N/A ARG 95.A N LEU 91.A O no hydrogen 2.945 N/A ARG 95.A NE GLU 92.A OE1 no hydrogen 2.737 N/A ARG 95.A NH2 GLU 92.A OE1 no hydrogen 3.270 N/A ARG 95.A NH2 GLU 92.A OE2 no hydrogen 2.744 N/A GLN 96.A N GLU 92.A O no hydrogen 3.151 N/A GLN 96.A NE2 GLU 92.A O no hydrogen 3.615 N/A THR 97.A N TRP 93.A O no hydrogen 3.019 N/A THR 97.A OG1 TRP 93.A O no hydrogen 2.752 N/A VAL 99.A N ALA 94.A O no hydrogen 3.124 N/A ARG 100.A N ASP 60.A O no hydrogen 2.809 N/A THR 101.A OG1 GLU 215.A OE1 no hydrogen 3.524 N/A THR 101.A OG1 GLU 215.A OE2 no hydrogen 2.766 N/A VAL 102.A N ARG 152.A O no hydrogen 2.789 N/A VAL 103.A N VAL 62.A O no hydrogen 2.631 N/A PHE 104.A N LEU 154.A O no hydrogen 2.730 N/A ALA 105.A N HIS 64.A O no hydrogen 3.154 N/A SER 106.A N VAL 156.A O no hydrogen 2.764 N/A SER 106.A OG GLU 139.A OE2 no hydrogen 2.537 N/A SER 107.A OG THR 109.A OG1 no hydrogen 2.804 N/A SER 108.A N TYR 158.A O no hydrogen 3.006 N/A THR 109.A N SER 107.A OG no hydrogen 3.022 N/A THR 109.A OG1 SER 107.A OG no hydrogen 2.804 N/A VAL 110.A N SER 107.A O no hydrogen 3.270 N/A TYR 111.A N SER 108.A O no hydrogen 3.153 N/A GLY 112.A N THR 109.A O no hydrogen 3.137 N/A ASP 115.A N GLU 123.A OE1 no hydrogen 3.263 N/A THR 119.A N THR 271.A O no hydrogen 2.858 N/A THR 119.A OG1 VAL 116.A O no hydrogen 2.784 N/A THR 119.A OG1 THR 271.A O no hydrogen 3.449 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.758 N/A GLU 123.A N PRO 120.A O no hydrogen 2.946 N/A TYR 125.A OH GLU 139.A OE1 no hydrogen 2.565 N/A LYS 126.A N VAL 110.A O no hydrogen 3.127 N/A GLY 132.A N SER 129.A OG no hydrogen 3.125 N/A ALA 133.A N SER 129.A O no hydrogen 3.088 N/A ALA 134.A N VAL 130.A O no hydrogen 2.961 N/A LYS 135.A N TYR 131.A O no hydrogen 2.926 N/A LYS 135.A NZ ALA 105.A O no hydrogen 2.846 N/A ALA 136.A N GLY 132.A O no hydrogen 2.878 N/A ALA 137.A N ALA 133.A O no hydrogen 2.848 N/A GLY 138.A N ALA 134.A O no hydrogen 2.926 N/A GLU 139.A N LYS 135.A O no hydrogen 2.910 N/A VAL 140.A N ALA 136.A O no hydrogen 3.040 N/A MET 141.A N ALA 137.A O no hydrogen 2.990 N/A CYS 142.A N GLY 138.A O no hydrogen 2.920 N/A CYS 142.A SG GLU 139.A O no hydrogen 3.414 N/A ALA 143.A N GLU 139.A O no hydrogen 2.958 N/A THR 144.A N VAL 140.A O no hydrogen 3.036 N/A THR 144.A OG1 VAL 140.A O no hydrogen 2.630 N/A TYR 145.A N MET 141.A O no hydrogen 2.982 N/A TYR 145.A OH GLU 92.A OE1 no hydrogen 2.612 N/A ALA 146.A N CYS 142.A O no hydrogen 3.082 N/A ARG 147.A N ALA 143.A O no hydrogen 3.001 N/A LEU 148.A N THR 144.A O no hydrogen 2.886 N/A PHE 149.A N TYR 145.A O no hydrogen 2.889 N/A GLY 150.A N ALA 146.A O no hydrogen 3.088 N/A ARG 152.A N ARG 100.A O no hydrogen 3.166 N/A ARG 152.A NE ALA 219.A O no hydrogen 2.897 N/A ARG 152.A NH1 PHE 214.A O no hydrogen 2.934 N/A ARG 152.A NH2 PHE 214.A O no hydrogen 2.751 N/A ARG 152.A NH2 ALA 219.A O no hydrogen 2.831 N/A CYS 153.A N PRO 220.A O no hydrogen 2.910 N/A LEU 154.A N VAL 102.A O no hydrogen 2.858 N/A ALA 155.A N LEU 222.A O no hydrogen 2.823 N/A VAL 156.A N PHE 104.A O no hydrogen 2.817 N/A ARG 157.A N LEU 224.A O no hydrogen 2.840 N/A ARG 157.A NE GLU 139.A OE1 no hydrogen 3.285 N/A ARG 157.A NE GLU 139.A OE2 no hydrogen 2.799 N/A ARG 157.A NH1 TYR 111.A OH no hydrogen 2.992 N/A ARG 157.A NH1 GLU 121.A O no hydrogen 3.152 N/A ARG 157.A NH2 GLU 139.A OE1 no hydrogen 2.642 N/A TYR 158.A OH THR 207.A OG1 no hydrogen 2.677 N/A ALA 159.A N VAL 226.A O no hydrogen 3.129 N/A ASN 160.A ND2 SER 196.A O no hydrogen 3.145 N/A VAL 162.A N LEU 198.A O no hydrogen 2.899 N/A ARG 165.A N GLU 303.A OE1 no hydrogen 3.110 N/A ARG 165.A N GLU 303.A OE2 no hydrogen 3.060 N/A ARG 165.A NH1 SER 14.A OG no hydrogen 2.684 N/A LEU 166.A N GLY 163.A O no hydrogen 3.319 N/A ARG 167.A NH1 LEU 166.A O no hydrogen 2.891 N/A ARG 167.A NH1 GLU 303.A OE1 no hydrogen 2.701 N/A ARG 167.A NH2 GLU 303.A OE1 no hydrogen 2.975 N/A ASP 173.A N GLY 169.A O no hydrogen 2.834 N/A PHE 174.A N VAL 170.A O no hydrogen 2.666 N/A ILE 175.A N ILE 171.A O no hydrogen 3.033 N/A MET 176.A N TYR 172.A O no hydrogen 3.021 N/A LYS 177.A N ASP 173.A O no hydrogen 2.914 N/A LEU 178.A N PHE 174.A O no hydrogen 3.094 N/A ARG 179.A N ILE 175.A O no hydrogen 3.061 N/A ARG 180.A N MET 176.A O no hydrogen 3.312 N/A ARG 180.A N LYS 177.A O no hydrogen 3.115 N/A ASN 181.A N LYS 177.A O no hydrogen 2.931 N/A ASN 183.A N ASN 181.A OD1 no hydrogen 3.104 N/A LEU 185.A N GLU 250.A O no hydrogen 2.929 N/A VAL 187.A N ARG 252.A O no hydrogen 2.904 N/A GLY 189.A N VAL 254.A O no hydrogen 3.199 N/A ASP 190.A N GLY 260.A O no hydrogen 2.960 N/A THR 192.A N ASP 190.A OD1 no hydrogen 2.929 N/A THR 192.A OG1 ASP 190.A OD1 no hydrogen 2.690 N/A THR 192.A OG1 ASP 190.A OD2 no hydrogen 3.256 N/A THR 192.A OG1 TYR 269.A OH no hydrogen 3.286 N/A GLN 193.A N GLN 193.A OE1 no hydrogen 2.702 N/A ARG 194.A N LYS 268.A O no hydrogen 2.864 N/A LYS 195.A N VAL 232.A O no hydrogen 2.998 N/A LYS 195.A NZ ASP 266.A OD1 no hydrogen 3.234 N/A LYS 195.A NZ VAL 267.A O no hydrogen 2.480 N/A SER 196.A N MET 270.A O no hydrogen 3.370 N/A TYR 197.A N SER 289.A OG no hydrogen 2.966 N/A LEU 198.A N ASN 160.A O no hydrogen 2.858 N/A TYR 199.A OH ASP 299.A OD2 no hydrogen 2.804 N/A VAL 200.A N VAL 162.A O no hydrogen 2.794 N/A ALA 203.A N TYR 199.A O no hydrogen 3.131 N/A VAL 204.A N VAL 200.A O no hydrogen 2.842 N/A GLU 205.A N ARG 201.A O no hydrogen 3.239 N/A ALA 206.A N ASP 202.A O no hydrogen 3.020 N/A THR 207.A N ALA 203.A O no hydrogen 2.966 N/A THR 207.A OG1 TYR 158.A OH no hydrogen 2.677 N/A THR 207.A OG1 ALA 203.A O no hydrogen 2.760 N/A LEU 208.A N VAL 204.A O no hydrogen 2.940 N/A ALA 209.A N GLU 205.A O no hydrogen 3.037 N/A ALA 210.A N ALA 206.A O no hydrogen 3.055 N/A TRP 211.A N THR 207.A O no hydrogen 2.960 N/A TRP 211.A NE1 GLU 215.A OE2 no hydrogen 3.218 N/A LYS 212.A N LEU 208.A O no hydrogen 3.014 N/A LYS 212.A NZ GLU 216.A OE2 no hydrogen 2.731 N/A LYS 213.A N ALA 209.A O no hydrogen 2.970 N/A PHE 214.A N ALA 210.A O no hydrogen 2.796 N/A GLU 215.A N TRP 211.A O no hydrogen 2.965 N/A GLU 216.A N LYS 213.A O no hydrogen 3.085 N/A MET 217.A N PHE 214.A O no hydrogen 3.024 N/A LEU 222.A N CYS 153.A O no hydrogen 3.036 N/A LEU 224.A N ALA 155.A O no hydrogen 2.741 N/A ASN 225.A N GLU 121.A OE2 no hydrogen 2.741 N/A ASN 225.A ND2 TYR 111.A OH no hydrogen 2.473 N/A VAL 226.A N ARG 157.A O no hydrogen 3.040 N/A ASN 228.A ND2 TYR 197.A O no hydrogen 2.777 N/A ASN 228.A ND2 MET 287.A O no hydrogen 3.167 N/A VAL 229.A N ASN 228.A OD1 no hydrogen 2.731 N/A VAL 232.A N LYS 195.A O no hydrogen 2.884 N/A VAL 234.A N GLN 193.A O no hydrogen 2.873 N/A ILE 237.A N ARG 233.A O no hydrogen 3.061 N/A ALA 238.A N VAL 234.A O no hydrogen 2.824 N/A GLN 239.A N LEU 235.A O no hydrogen 3.069 N/A ILE 240.A N ASP 236.A O no hydrogen 3.076 N/A VAL 241.A N ILE 237.A O no hydrogen 3.012 N/A ALA 242.A N ALA 238.A O no hydrogen 3.016 N/A GLU 243.A N GLN 239.A O no hydrogen 2.765 N/A VAL 244.A N ILE 240.A O no hydrogen 3.025 N/A LEU 245.A N VAL 241.A O no hydrogen 3.297 N/A LEU 245.A N ALA 242.A O no hydrogen 3.095 N/A GLY 246.A N GLU 243.A O no hydrogen 2.861 N/A LEU 247.A N ALA 242.A O no hydrogen 2.834 N/A GLU 250.A N ASN 183.A O no hydrogen 2.563 N/A ARG 252.A N LEU 185.A O no hydrogen 2.953 N/A ARG 252.A NH1 GLU 250.A OE2 no hydrogen 3.413 N/A VAL 254.A N VAL 187.A O no hydrogen 2.852 N/A SER 256.A OG GLY 262.A O no hydrogen 2.925 N/A THR 257.A OG1 ASP 259.A OD1 no hydrogen 2.639 N/A THR 257.A OG1 ARG 261.A O no hydrogen 3.474 N/A GLY 260.A N THR 257.A O no hydrogen 3.017 N/A ARG 261.A N THR 257.A OG1 no hydrogen 2.820 N/A ARG 261.A NE ASP 259.A OD2 no hydrogen 3.094 N/A ARG 261.A NH1 ASP 113.A OD1 no hydrogen 3.114 N/A ARG 261.A NH1 ASP 266.A O no hydrogen 2.681 N/A ARG 261.A NH2 ASP 113.A OD2 no hydrogen 2.773 N/A GLY 262.A N ASP 266.A OD2 no hydrogen 3.021 N/A ASP 266.A N TRP 263.A O no hydrogen 3.137 N/A LYS 268.A NZ ASP 190.A OD1 no hydrogen 3.117 N/A LYS 268.A NZ ASP 190.A OD2 no hydrogen 3.067 N/A LYS 268.A NZ ASP 259.A O no hydrogen 3.468 N/A LYS 268.A NZ GLY 260.A O no hydrogen 3.050 N/A TYR 269.A OH THR 192.A OG1 no hydrogen 3.286 N/A MET 270.A N ARG 194.A O no hydrogen 2.918 N/A THR 271.A OG1 MET 270.A O no hydrogen 2.788 N/A ALA 273.A N THR 119.A O no hydrogen 2.869 N/A LYS 276.A NZ GLU 122.A OE2 no hydrogen 2.411 N/A MET 278.A N VAL 274.A O no hydrogen 2.974 N/A LYS 279.A N THR 275.A O no hydrogen 2.775 N/A LEU 280.A N LYS 276.A O no hydrogen 2.853 N/A THR 281.A N LEU 277.A O no hydrogen 3.092 N/A THR 281.A N MET 278.A O no hydrogen 3.258 N/A THR 281.A OG1 LEU 277.A O no hydrogen 2.952 N/A GLY 282.A N MET 278.A O no hydrogen 2.694 N/A TRP 283.A N THR 281.A OG1 no hydrogen 3.154 N/A TRP 283.A NE1 ASP 202.A O no hydrogen 3.003 N/A THR 286.A N ASP 202.A OD2 no hydrogen 2.648 N/A THR 286.A OG1 ASP 202.A OD1 no hydrogen 3.159 N/A THR 288.A N GLU 291.A OE1 no hydrogen 3.088 N/A THR 288.A OG1 GLU 291.A OE1 no hydrogen 3.143 N/A SER 289.A N ASP 230.A OD1 no hydrogen 2.717 N/A SER 289.A OG ASP 230.A O no hydrogen 2.401 N/A SER 289.A OG ASP 230.A OD1 no hydrogen 2.912 N/A GLU 291.A N THR 288.A OG1 no hydrogen 3.063 N/A ALA 292.A N THR 288.A O no hydrogen 2.975 N/A VAL 293.A N SER 289.A O no hydrogen 2.951 N/A LYS 294.A N ALA 290.A O no hydrogen 2.899 N/A LYS 295.A N GLU 291.A O no hydrogen 2.856 N/A LYS 295.A NZ TYR 199.A OH no hydrogen 3.389 N/A THR 296.A N ALA 292.A O no hydrogen 2.972 N/A THR 296.A OG1 ALA 292.A O no hydrogen 2.639 N/A ALA 297.A N VAL 293.A O no hydrogen 2.952 N/A GLU 298.A N LYS 294.A O no hydrogen 2.982 N/A ASP 299.A N LYS 295.A O no hydrogen 2.835 N/A LEU 300.A N THR 296.A O no hydrogen 2.709 N/A ALA 301.A N ALA 297.A O no hydrogen 2.724 N/A LYS 302.A N GLU 298.A O no hydrogen 3.225 N/A LYS 302.A N ASP 299.A O no hydrogen 3.285 N/A GLU 303.A N ASP 299.A O no hydrogen 3.091 N/A LEU 304.A N LEU 300.A O no hydrogen 2.707 N/A