Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a4b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ ASP 199.A OD1 no hydrogen 2.866 N/A LYS 4.A NZ ASP 199.A OD2 no hydrogen 3.351 N/A GLN 5.A N ALA 1.A O no hydrogen 3.387 N/A GLN 5.A NE2 ALA 1.A O no hydrogen 2.912 N/A GLN 6.A N TRP 2.A O no hydrogen 2.929 N/A GLN 6.A NE2 ASP 207.A OD1 no hydrogen 3.050 N/A GLN 6.A NE2 ASP 207.A OD2 no hydrogen 3.332 N/A ARG 7.A N GLU 3.A O no hydrogen 2.708 N/A ARG 7.A NE GLU 29.A OE1 no hydrogen 2.806 N/A ARG 7.A NH2 ASN 27.A OD1 no hydrogen 2.878 N/A ARG 7.A NH2 GLU 29.A OE1 no hydrogen 3.239 N/A ARG 7.A NH2 GLU 29.A OE2 no hydrogen 3.050 N/A LYS 8.A N LYS 4.A O no hydrogen 3.111 N/A THR 9.A N GLN 5.A O no hydrogen 2.970 N/A THR 9.A OG1 GLN 5.A O no hydrogen 3.251 N/A THR 9.A OG1 MET 194.A O no hydrogen 2.653 N/A PHE 10.A N GLN 6.A O no hydrogen 2.814 N/A THR 11.A N ARG 7.A O no hydrogen 3.175 N/A THR 11.A OG1 ARG 7.A O no hydrogen 2.597 N/A ALA 12.A N LYS 8.A O no hydrogen 3.004 N/A TRP 13.A N THR 9.A O no hydrogen 2.785 N/A CYS 14.A N PHE 10.A O no hydrogen 2.904 N/A CYS 14.A SG PHE 10.A O no hydrogen 3.257 N/A ASN 15.A N THR 11.A O no hydrogen 2.825 N/A ASN 15.A ND2 ILE 25.A O no hydrogen 2.909 N/A SER 16.A N ALA 12.A O no hydrogen 2.927 N/A SER 16.A OG TRP 13.A O no hydrogen 2.647 N/A HIS 17.A N TRP 13.A O no hydrogen 3.388 N/A HIS 17.A N CYS 14.A O no hydrogen 3.194 N/A LEU 18.A N CYS 14.A O no hydrogen 2.846 N/A ARG 19.A N ASN 15.A O no hydrogen 3.163 N/A ARG 19.A NE SER 16.A O no hydrogen 3.135 N/A ARG 19.A NH2 ASP 190.A O no hydrogen 3.418 N/A LYS 20.A N HIS 17.A O no hydrogen 3.012 N/A LYS 20.A NZ HIS 17.A ND1 no hydrogen 3.048 N/A ALA 21.A N LEU 18.A O no hydrogen 2.845 N/A GLY 22.A N ARG 19.A O no hydrogen 3.023 N/A THR 23.A N LEU 18.A O no hydrogen 3.205 N/A THR 23.A OG1 GLN 24.A O no hydrogen 3.535 N/A GLN 24.A NE2 ASN 15.A O no hydrogen 2.948 N/A GLN 24.A NE2 THR 23.A O no hydrogen 2.760 N/A ILE 25.A N ASN 15.A OD1 no hydrogen 2.769 N/A GLU 26.A N ASP 31.A OD2 no hydrogen 2.771 N/A ASN 27.A N ASP 31.A OD2 no hydrogen 2.678 N/A ASN 27.A ND2 GLU 30.A OE2 no hydrogen 3.001 N/A GLU 29.A N GLU 29.A OE1 no hydrogen 2.667 N/A GLU 30.A N ASN 27.A O no hydrogen 3.056 N/A ASP 31.A N ASN 27.A O no hydrogen 2.790 N/A ARG 33.A N GLU 30.A O no hydrogen 3.384 N/A ARG 33.A NH1 GLU 30.A O no hydrogen 3.173 N/A GLY 35.A N PHE 32.A O no hydrogen 2.945 N/A LEU 36.A N ASN 34.A OD1 no hydrogen 2.937 N/A LYS 37.A NZ THR 23.A OG1 no hydrogen 3.138 N/A LYS 37.A NZ GLN 24.A O no hydrogen 2.762 N/A MET 39.A N GLY 35.A O no hydrogen 2.921 N/A LEU 40.A N LEU 36.A O no hydrogen 3.135 N/A LEU 41.A N LYS 37.A O no hydrogen 2.919 N/A LEU 42.A N LEU 38.A O no hydrogen 3.194 N/A GLU 43.A N MET 39.A O no hydrogen 3.103 N/A VAL 44.A N LEU 40.A O no hydrogen 3.003 N/A ILE 45.A N LEU 41.A O no hydrogen 3.010 N/A SER 46.A N LEU 42.A O no hydrogen 2.973 N/A SER 46.A OG LEU 42.A O no hydrogen 2.785 N/A SER 46.A OG GLU 43.A O no hydrogen 3.432 N/A SER 46.A OG TYR 72.A OH no hydrogen 3.157 N/A GLY 47.A N GLU 43.A O no hydrogen 2.715 N/A GLU 48.A N SER 46.A OG no hydrogen 2.795 N/A LEU 50.A N GLU 43.A OE2 no hydrogen 2.783 N/A ASP 54.A N ASN 65.A OD1 no hydrogen 2.888 N/A GLY 56.A N ASP 54.A OD1 no hydrogen 2.987 N/A ARG 59.A NE ASP 90.A OD1 no hydrogen 3.125 N/A LYS 62.A N MET 58.A O no hydrogen 3.309 N/A ILE 63.A N ARG 59.A O no hydrogen 2.846 N/A ALA 64.A N PHE 60.A O no hydrogen 3.124 N/A ASN 65.A N HIS 61.A O no hydrogen 3.109 N/A ASN 65.A ND2 ASN 34.A O no hydrogen 2.963 N/A ASN 65.A ND2 ASP 54.A O no hydrogen 2.710 N/A VAL 66.A N LYS 62.A O no hydrogen 2.903 N/A ASN 67.A N ILE 63.A O no hydrogen 2.921 N/A LYS 68.A N ALA 64.A O no hydrogen 2.965 N/A LYS 68.A NZ LYS 52.A O no hydrogen 3.511 N/A LYS 68.A NZ ASN 65.A OD1 no hydrogen 3.146 N/A ALA 69.A N ASN 65.A O no hydrogen 2.962 N/A LEU 70.A N VAL 66.A O no hydrogen 2.797 N/A ASP 71.A N ASN 67.A O no hydrogen 2.756 N/A TYR 72.A N LYS 68.A O no hydrogen 3.072 N/A TYR 72.A OH GLU 48.A OE2 no hydrogen 2.497 N/A ILE 73.A N ALA 69.A O no hydrogen 2.965 N/A ALA 74.A N LEU 70.A O no hydrogen 2.849 N/A SER 75.A N ASP 71.A O no hydrogen 2.906 N/A SER 75.A OG TYR 72.A O no hydrogen 2.526 N/A LYS 76.A N TYR 72.A O no hydrogen 3.231 N/A LYS 76.A N ILE 73.A O no hydrogen 3.071 N/A LYS 76.A NZ GLU 48.A OE1 no hydrogen 3.543 N/A LYS 76.A NZ GLU 48.A OE2 no hydrogen 2.813 N/A GLY 77.A N ALA 74.A O no hydrogen 3.172 N/A VAL 78.A N ILE 73.A O no hydrogen 3.432 N/A THR 85.A OG1 ASN 67.A OD1 no hydrogen 2.505 N/A ILE 88.A N GLY 84.A O no hydrogen 3.172 N/A VAL 89.A N THR 85.A O no hydrogen 2.832 N/A ASP 90.A N GLU 86.A O no hydrogen 2.671 N/A GLY 91.A N GLU 87.A O no hydrogen 2.817 N/A ASN 92.A N GLU 87.A O no hydrogen 2.951 N/A ASN 92.A ND2 GLU 87.A OE1 no hydrogen 3.241 N/A MET 95.A N ASN 92.A OD1 no hydrogen 2.983 N/A THR 96.A N ASN 92.A O no hydrogen 2.956 N/A THR 96.A OG1 ASN 92.A O no hydrogen 2.618 N/A LEU 97.A N VAL 93.A O no hydrogen 3.039 N/A GLY 98.A N LYS 94.A O no hydrogen 2.933 N/A MET 99.A N MET 95.A O no hydrogen 2.808 N/A ILE 100.A N THR 96.A O no hydrogen 2.983 N/A TRP 101.A N LEU 97.A O no hydrogen 2.842 N/A THR 102.A N GLY 98.A O no hydrogen 2.954 N/A THR 102.A OG1 GLY 98.A O no hydrogen 2.695 N/A ILE 103.A N MET 99.A O no hydrogen 3.063 N/A ILE 104.A N ILE 100.A O no hydrogen 2.951 N/A LEU 105.A N TRP 101.A O no hydrogen 2.805 N/A ARG 106.A N THR 102.A O no hydrogen 2.959 N/A ARG 106.A NE LYS 76.A O no hydrogen 2.728 N/A ARG 106.A NH1 ARG 106.A O no hydrogen 2.740 N/A ARG 106.A NH1 ASP 111.A OD1 no hydrogen 3.530 N/A ARG 106.A NH2 LYS 76.A O no hydrogen 3.569 N/A PHE 107.A N ILE 103.A O no hydrogen 2.866 N/A ALA 108.A N ILE 104.A O no hydrogen 2.754 N/A ILE 109.A N LEU 105.A O no hydrogen 3.280 N/A GLN 110.A N LEU 105.A O no hydrogen 2.640 N/A ILE 112.A N ILE 109.A O no hydrogen 2.936 N/A VAL 114.A N THR 117.A O no hydrogen 2.822 N/A THR 117.A N VAL 114.A O no hydrogen 3.017 N/A THR 117.A OG1 VAL 114.A O no hydrogen 3.337 N/A THR 117.A OG1 GLU 115.A O no hydrogen 2.896 N/A ALA 119.A N ILE 112.A O no hydrogen 2.944 N/A GLY 122.A N SER 118.A O no hydrogen 3.095 N/A LEU 123.A N ALA 119.A O no hydrogen 2.785 N/A LEU 124.A N LYS 120.A O no hydrogen 2.796 N/A LEU 125.A N GLU 121.A O no hydrogen 3.034 N/A TRP 126.A N GLY 122.A O no hydrogen 3.115 N/A CYS 127.A N LEU 123.A O no hydrogen 3.022 N/A CYS 127.A SG LEU 123.A O no hydrogen 3.313 N/A GLN 128.A N LEU 124.A O no hydrogen 3.024 N/A GLN 128.A NE2 ILE 139.A O no hydrogen 2.871 N/A ARG 129.A N LEU 125.A O no hydrogen 2.773 N/A ARG 129.A NE GLU 115.A OE2 no hydrogen 2.820 N/A ARG 129.A NH2 GLU 115.A OE1 no hydrogen 2.870 N/A ARG 129.A NH2 GLU 115.A OE2 no hydrogen 3.320 N/A LYS 130.A N TRP 126.A O no hydrogen 2.860 N/A THR 131.A N CYS 127.A O no hydrogen 2.883 N/A THR 131.A OG1 CYS 127.A O no hydrogen 2.747 N/A THR 131.A OG1 GLN 128.A O no hydrogen 3.480 N/A ALA 132.A N ARG 129.A O no hydrogen 3.477 N/A TYR 134.A N THR 131.A O no hydrogen 2.979 N/A TYR 134.A OH HIS 157.A ND1 no hydrogen 2.807 N/A VAL 137.A N TYR 134.A O no hydrogen 3.130 N/A GLN 140.A N SER 145.A OG no hydrogen 3.077 N/A ASN 141.A ND2 THR 144.A OG1 no hydrogen 3.045 N/A HIS 143.A N ASN 141.A OD1 no hydrogen 2.729 N/A THR 144.A N HIS 143.A ND1 no hydrogen 2.984 N/A SER 145.A N ASN 141.A OD1 no hydrogen 3.123 N/A SER 145.A OG ASN 138.A O no hydrogen 3.391 N/A TRP 146.A N HIS 143.A O no hydrogen 2.978 N/A TRP 146.A NE1 ASN 141.A O no hydrogen 2.687 N/A LYS 147.A N THR 144.A O no hydrogen 3.241 N/A LYS 147.A NZ ILE 200.A O no hydrogen 3.311 N/A LYS 147.A NZ VAL 201.A O no hydrogen 2.879 N/A LYS 147.A NZ THR 203.A O no hydrogen 2.634 N/A GLY 149.A N TRP 146.A O no hydrogen 3.184 N/A LEU 150.A N ASP 148.A OD1 no hydrogen 2.924 N/A CYS 153.A N GLY 149.A O no hydrogen 3.133 N/A CYS 153.A SG GLY 149.A O no hydrogen 3.107 N/A CYS 153.A SG ASN 177.A O no hydrogen 3.207 N/A ALA 154.A N LEU 150.A O no hydrogen 2.758 N/A LEU 155.A N GLY 151.A O no hydrogen 3.004 N/A ILE 156.A N LEU 152.A O no hydrogen 3.268 N/A HIS 157.A N CYS 153.A O no hydrogen 2.911 N/A HIS 157.A ND1 TYR 134.A OH no hydrogen 2.807 N/A ARG 158.A N ALA 154.A O no hydrogen 2.811 N/A ARG 158.A NH1 ARG 129.A O no hydrogen 3.153 N/A ARG 158.A NH1 LYS 130.A O no hydrogen 3.268 N/A HIS 159.A N ILE 156.A O no hydrogen 3.141 N/A HIS 159.A ND1 LEU 155.A O no hydrogen 2.669 N/A ARG 160.A N ILE 156.A O no hydrogen 2.706 N/A ARG 160.A NE ASP 162.A OD1 no hydrogen 2.877 N/A ARG 160.A NH2 ASP 162.A OD2 no hydrogen 2.910 N/A LEU 163.A N ARG 160.A O no hydrogen 3.057 N/A ILE 164.A N PRO 161.A O no hydrogen 3.493 N/A TYR 166.A OH ASN 136.A OD1 no hydrogen 2.807 N/A SER 167.A OG ASP 165.A OD1 no hydrogen 2.735 N/A LEU 169.A N TYR 166.A O no hydrogen 2.845 N/A LYS 171.A NZ ASP 148.A OD2 no hydrogen 2.748 N/A ASP 172.A N ASN 170.A OD1 no hydrogen 3.015 N/A GLY 176.A N ASP 173.A OD1 no hydrogen 3.423 N/A ASN 177.A N ASP 173.A O no hydrogen 3.120 N/A ASN 177.A ND2 ASP 148.A O no hydrogen 2.965 N/A ASN 177.A ND2 ASN 170.A O no hydrogen 2.887 N/A ILE 178.A N PRO 174.A O no hydrogen 3.111 N/A ASN 179.A N ILE 175.A O no hydrogen 3.077 N/A LEU 180.A N GLY 176.A O no hydrogen 2.779 N/A ALA 181.A N ASN 177.A O no hydrogen 3.010 N/A MET 182.A N ILE 178.A O no hydrogen 2.887 N/A GLU 183.A N ASN 179.A O no hydrogen 2.770 N/A ILE 184.A N LEU 180.A O no hydrogen 2.916 N/A ALA 185.A N ALA 181.A O no hydrogen 2.971 N/A GLU 186.A N MET 182.A O no hydrogen 3.032 N/A LYS 187.A N GLU 183.A O no hydrogen 2.976 N/A HIS 188.A N ILE 184.A O no hydrogen 2.914 N/A LEU 189.A N ALA 185.A O no hydrogen 2.836 N/A ILE 191.A N ALA 185.A O no hydrogen 3.278 N/A LYS 193.A NZ GLU 186.A OE1 no hydrogen 3.449 N/A ASP 199.A N ASP 196.A OD2 no hydrogen 2.794 N/A ILE 200.A N ASP 196.A O no hydrogen 3.194 N/A VAL 201.A N ALA 197.A O no hydrogen 3.025 N/A ASN 202.A N GLU 198.A O no hydrogen 3.078 N/A THR 203.A OG1 ASP 199.A O no hydrogen 2.799 N/A ASP 207.A N GLN 5.A OE1 no hydrogen 2.926 N/A ALA 210.A N ASP 207.A OD2 no hydrogen 2.893 N/A ILE 211.A N ASP 207.A O no hydrogen 3.165 N/A MET 212.A N GLU 208.A O no hydrogen 2.898 N/A THR 213.A N ARG 209.A O no hydrogen 2.898 N/A THR 213.A OG1 ARG 209.A O no hydrogen 2.762 N/A TYR 214.A N ALA 210.A O no hydrogen 3.100 N/A VAL 215.A N ILE 211.A O no hydrogen 2.909 N/A SER 216.A N MET 212.A O no hydrogen 2.874 N/A SER 216.A OG MET 212.A O no hydrogen 3.486 N/A SER 216.A OG THR 213.A O no hydrogen 2.466 N/A CYS 217.A N TYR 214.A O no hydrogen 2.984 N/A CYS 217.A SG THR 213.A O no hydrogen 3.495 N/A TYR 219.A N VAL 215.A O no hydrogen 3.121 N/A HIS 220.A N SER 216.A O no hydrogen 2.965 N/A HIS 220.A NE2 ALA 108.A O no hydrogen 2.586 N/A ALA 221.A N CYS 217.A O no hydrogen 2.685 N/A PHE 222.A N PHE 218.A O no hydrogen 3.011 N/A ALA 223.A N TYR 219.A O no hydrogen 3.102 N/A