Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hpw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N GLU 2.A O no hydrogen 3.157 N/A LEU 6.A N GLY 3.A O no hydrogen 3.071 N/A PHE 7.A N ALA 4.A O no hydrogen 2.974 N/A GLU 8.A N LYS 5.A O no hydrogen 3.383 N/A ILE 11.A N GLY 34.A O no hydrogen 3.031 N/A TYR 13.A N GLY 32.A O no hydrogen 2.925 N/A TYR 13.A OH TYR 45.A OH no hydrogen 2.667 N/A TYR 13.A OH LEU 63.A O no hydrogen 2.673 N/A ILE 14.A N LEU 113.A O no hydrogen 2.840 N/A THR 15.A N GLY 30.A O no hydrogen 3.050 N/A THR 15.A OG1 LEU 63.A O no hydrogen 3.568 N/A GLU 16.A N ASN 115.A O no hydrogen 2.908 N/A LEU 17.A N ILE 28.A O no hydrogen 2.870 N/A GLU 18.A N VAL 117.A O no hydrogen 2.903 N/A GLY 19.A N PHE 26.A O no hydrogen 2.805 N/A ASP 20.A N VAL 119.A O no hydrogen 2.897 N/A VAL 21.A N MET 24.A O no hydrogen 2.933 N/A GLU 22.A N GLY 121.A O no hydrogen 3.005 N/A GLY 23.A N ASP 20.A OD1 no hydrogen 2.893 N/A MET 24.A N VAL 21.A O no hydrogen 2.856 N/A PHE 26.A N GLY 19.A O no hydrogen 2.905 N/A ILE 27.A N THR 49.A OG1 no hydrogen 3.052 N/A ILE 28.A N LEU 17.A O no hydrogen 2.879 N/A LYS 29.A N ILE 46.A O no hydrogen 2.875 N/A GLY 30.A N THR 15.A O no hydrogen 2.781 N/A GLU 31.A N LYS 44.A O no hydrogen 2.923 N/A GLY 32.A N TYR 13.A O no hydrogen 2.830 N/A THR 33.A N LYS 42.A O no hydrogen 2.807 N/A GLY 34.A N ILE 11.A O no hydrogen 2.891 N/A ASP 35.A N THR 40.A O no hydrogen 2.787 N/A THR 37.A OG1 ASP 35.A OD1 no hydrogen 2.787 N/A THR 37.A OG1 ASP 35.A OD2 no hydrogen 3.016 N/A THR 38.A N ASP 35.A O no hydrogen 3.074 N/A THR 38.A OG1 ASP 35.A O no hydrogen 3.379 N/A THR 38.A OG1 ASP 35.A OD2 no hydrogen 2.818 N/A THR 38.A OG1 THR 40.A OG1 no hydrogen 2.908 N/A GLY 39.A N ASP 35.A O no hydrogen 2.774 N/A THR 40.A N ASP 35.A O no hydrogen 3.096 N/A THR 40.A OG1 THR 38.A OG1 no hydrogen 2.908 N/A ILE 41.A N GLU 217.A O no hydrogen 2.763 N/A LYS 42.A N THR 33.A O no hydrogen 3.018 N/A ALA 43.A N ILE 215.A O no hydrogen 3.202 N/A LYS 44.A N GLU 31.A O no hydrogen 2.984 N/A LYS 44.A NZ ASP 204.A OD2 no hydrogen 2.768 N/A LYS 44.A NZ ASP 207.A OD2 no hydrogen 2.773 N/A TYR 45.A N LEU 213.A O no hydrogen 2.770 N/A TYR 45.A OH TYR 13.A OH no hydrogen 2.667 N/A ILE 46.A N LYS 29.A O no hydrogen 2.839 N/A CYS 47.A N ASP 211.A O no hydrogen 2.926 N/A CYS 47.A SG ILE 27.A O no hydrogen 3.647 N/A CYS 47.A SG THR 49.A OG1 no hydrogen 3.402 N/A CYS 47.A SG GLY 50.A O no hydrogen 3.184 N/A THR 48.A N ILE 27.A O no hydrogen 2.894 N/A GLY 50.A N CYS 47.A O no hydrogen 3.387 N/A LEU 52.A N ASP 211.A OD2 no hydrogen 2.780 N/A TRP 56.A NE1 ASP 211.A OD1 no hydrogen 2.944 N/A THR 58.A N PRO 55.A O no hydrogen 3.013 N/A THR 58.A OG1 PRO 55.A O no hydrogen 2.747 N/A THR 58.A OG1 TYR 100.A OH no hydrogen 2.869 N/A ILE 59.A N TRP 56.A O no hydrogen 3.048 N/A LEU 60.A N ALA 57.A O no hydrogen 3.460 N/A SER 61.A OG HIS 175.A NE2 no hydrogen 2.751 N/A SER 62.A N ILE 59.A O no hydrogen 3.085 N/A LEU 63.A N ILE 59.A O no hydrogen 3.190 N/A CYS 66.A SG TYR 86.A OH no hydrogen 3.833 N/A PHE 67.A N VAL 64.A O no hydrogen 3.097 N/A ALA 68.A N PHE 65.A O no hydrogen 2.968 N/A LYS 69.A N ILE 219.A O no hydrogen 2.898 N/A TYR 70.A OH HIS 193.A NE2 no hydrogen 2.629 N/A HIS 73.A NE2 ASP 223.A OD2 no hydrogen 2.591 N/A ILE 74.A N PRO 71.A O no hydrogen 3.470 N/A LYS 79.A N ASP 76.A OD1 no hydrogen 3.239 N/A LYS 79.A NZ CYS 66.A O no hydrogen 2.943 N/A LYS 79.A NZ ALA 68.A O no hydrogen 2.890 N/A LYS 79.A NZ ASP 76.A OD2 no hydrogen 2.738 N/A SER 80.A N ASP 76.A O no hydrogen 2.910 N/A THR 81.A N PHE 77.A O no hydrogen 3.213 N/A THR 81.A OG1 PHE 77.A O no hydrogen 2.852 N/A THR 81.A OG1 PHE 78.A O no hydrogen 3.530 N/A GLN 82.A N LYS 79.A O no hydrogen 2.990 N/A GLN 82.A NE2 PHE 78.A O no hydrogen 3.579 N/A GLN 82.A NE2 VAL 106.A O no hydrogen 3.099 N/A GLY 85.A N THR 81.A O no hydrogen 2.825 N/A TYR 86.A N VAL 106.A O no hydrogen 3.000 N/A SER 87.A N LYS 180.A O no hydrogen 2.722 N/A SER 87.A OG ASP 89.A OD1 no hydrogen 3.215 N/A SER 87.A OG ALA 104.A O no hydrogen 3.520 N/A GLN 88.A N ALA 104.A O no hydrogen 2.884 N/A ASP 89.A N PHE 178.A O no hydrogen 3.063 N/A ARG 90.A N VAL 102.A O no hydrogen 2.833 N/A ARG 90.A NH1 GLN 88.A O no hydrogen 2.860 N/A ARG 90.A NH2 SER 61.A O no hydrogen 2.822 N/A ILE 91.A N ALA 176.A O no hydrogen 2.975 N/A ILE 92.A N TYR 100.A O no hydrogen 2.871 N/A SER 93.A N ARG 174.A O no hydrogen 2.842 N/A PHE 94.A N GLY 98.A O no hydrogen 2.958 N/A ASP 95.A N MET 172.A O no hydrogen 3.107 N/A GLY 98.A N ASP 97.A OD1 no hydrogen 2.917 N/A GLN 99.A N THR 122.A O no hydrogen 2.940 N/A TYR 100.A N ILE 92.A O no hydrogen 2.859 N/A TYR 100.A OH THR 58.A OG1 no hydrogen 2.869 N/A ASP 101.A N LYS 120.A O no hydrogen 2.770 N/A VAL 102.A N ARG 90.A O no hydrogen 2.789 N/A LYS 103.A N THR 118.A O no hydrogen 2.945 N/A LYS 103.A NZ ASP 101.A OD1 no hydrogen 2.769 N/A ALA 104.A N ASP 89.A OD1 no hydrogen 3.223 N/A LYS 105.A N ARG 116.A O no hydrogen 2.969 N/A VAL 106.A N TYR 86.A O no hydrogen 2.846 N/A THR 107.A N TYR 114.A O no hydrogen 2.886 N/A THR 107.A OG1 GLU 109.A OE2 no hydrogen 2.677 N/A TYR 108.A N GLN 82.A OE1 no hydrogen 3.089 N/A GLU 109.A N THR 112.A O no hydrogen 2.851 N/A THR 112.A N GLU 109.A O no hydrogen 3.178 N/A LEU 113.A N PRO 12.A O no hydrogen 2.903 N/A TYR 114.A N THR 107.A O no hydrogen 2.813 N/A ASN 115.A N ILE 14.A O no hydrogen 2.981 N/A ASN 115.A ND2 SER 62.A O no hydrogen 3.095 N/A ASN 115.A ND2 LEU 63.A O no hydrogen 2.849 N/A ARG 116.A N LYS 105.A O no hydrogen 3.097 N/A ARG 116.A NE GLU 16.A OE1 no hydrogen 3.334 N/A ARG 116.A NH1 GLU 109.A OE2 no hydrogen 2.797 N/A ARG 116.A NH2 GLU 109.A OE1 no hydrogen 2.957 N/A VAL 117.A N GLU 16.A O no hydrogen 2.872 N/A THR 118.A N LYS 103.A O no hydrogen 2.776 N/A VAL 119.A N GLU 18.A O no hydrogen 2.910 N/A LYS 120.A N ASP 101.A O no hydrogen 2.883 N/A LYS 120.A NZ ASP 20.A OD2 no hydrogen 3.315 N/A GLY 121.A N ASP 20.A O no hydrogen 2.761 N/A THR 122.A N GLN 99.A O no hydrogen 3.071 N/A PHE 124.A N GLU 22.A OE2 no hydrogen 2.806 N/A LYS 125.A N ASP 97.A OD1 no hydrogen 2.723 N/A LYS 125.A NZ ASN 96.A O no hydrogen 3.378 N/A GLY 128.A N LYS 125.A O no hydrogen 3.042 N/A ASN 129.A ND2 GLN 171.A OE1 no hydrogen 2.841 N/A GLY 132.A N GLY 128.A O no hydrogen 2.956 N/A MET 133.A N ILE 130.A O no hydrogen 3.135 N/A ARG 134.A N ASN 129.A O no hydrogen 2.923 N/A ARG 134.A NE ASN 129.A OD1 no hydrogen 3.146 N/A ARG 134.A NH1 ASN 127.A O no hydrogen 2.742 N/A ARG 134.A NH1 ASN 129.A OD1 no hydrogen 3.086 N/A LEU 136.A N ASP 164.A O no hydrogen 2.827 N/A TYR 137.A OH GLY 202.A O no hydrogen 2.692 N/A HIS 138.A N LEU 136.A O no hydrogen 2.953 N/A HIS 138.A NE2 ASP 164.A OD2 no hydrogen 2.439 N/A HIS 142.A N VAL 197.A O no hydrogen 2.932 N/A VAL 144.A N LEU 195.A O no hydrogen 2.735 N/A TYR 145.A N GLU 158.A O no hydrogen 3.035 N/A ILE 146.A N HIS 193.A O no hydrogen 2.845 N/A LEU 147.A N LYS 156.A O no hydrogen 2.849 N/A ASP 149.A N GLY 154.A O no hydrogen 2.815 N/A ASN 152.A N ASP 149.A O no hydrogen 2.958 N/A GLY 153.A N ARG 150.A O no hydrogen 2.986 N/A GLY 154.A N ASP 149.A O no hydrogen 3.241 N/A MET 155.A N ASN 179.A O no hydrogen 2.843 N/A LYS 156.A N LEU 147.A O no hydrogen 2.757 N/A LYS 156.A NZ GLU 158.A OE2 no hydrogen 2.781 N/A ILE 157.A N GLN 177.A O no hydrogen 2.869 N/A GLU 158.A N TYR 145.A O no hydrogen 3.168 N/A TYR 159.A N HIS 175.A O no hydrogen 3.083 N/A LYS 161.A N ALA 173.A O no hydrogen 2.945 N/A LYS 161.A NZ SER 139.A OG no hydrogen 3.019 N/A PHE 163.A N GLN 171.A O no hydrogen 2.935 N/A VAL 165.A N GLY 169.A O no hydrogen 3.086 N/A MET 166.A N ARG 134.A O no hydrogen 2.811 N/A GLY 168.A N VAL 165.A O no hydrogen 3.146 N/A GLN 171.A N PHE 163.A O no hydrogen 2.904 N/A GLN 171.A NE2 ASP 95.A O no hydrogen 2.966 N/A GLN 171.A NE2 MET 172.A O no hydrogen 3.090 N/A ALA 173.A N LYS 161.A O no hydrogen 2.881 N/A ARG 174.A N SER 93.A O no hydrogen 2.769 N/A ARG 174.A NE ASP 95.A OD1 no hydrogen 2.886 N/A ARG 174.A NE ASP 95.A OD2 no hydrogen 3.387 N/A ARG 174.A NH1 ASN 160.A OD1 no hydrogen 3.043 N/A ARG 174.A NH2 ASP 95.A OD2 no hydrogen 2.733 N/A HIS 175.A N TYR 159.A O no hydrogen 2.794 N/A HIS 175.A ND1 ALA 173.A O no hydrogen 3.136 N/A HIS 175.A NE2 SER 61.A OG no hydrogen 2.751 N/A ALA 176.A N ILE 91.A O no hydrogen 3.044 N/A GLN 177.A N ILE 157.A O no hydrogen 2.778 N/A PHE 178.A N ASP 89.A O no hydrogen 2.769 N/A ASN 179.A N MET 155.A O no hydrogen 2.899 N/A LYS 180.A N SER 87.A O no hydrogen 3.108 N/A LEU 182.A N GLY 85.A O no hydrogen 2.819 N/A ALA 184.A N ASP 84.A OD2 no hydrogen 2.914 N/A TYR 192.A OH HIS 194.A NE2 no hydrogen 2.866 N/A HIS 193.A N ILE 146.A O no hydrogen 3.127 N/A HIS 193.A ND1 LEU 191.A O no hydrogen 2.816 N/A HIS 193.A NE2 TYR 70.A OH no hydrogen 2.629 N/A HIS 194.A N VAL 222.A O no hydrogen 3.330 N/A HIS 194.A ND1 TYR 227.A OH no hydrogen 2.758 N/A HIS 194.A NE2 TYR 192.A OH no hydrogen 2.866 N/A LEU 195.A N VAL 144.A O no hydrogen 2.895 N/A THR 196.A N LYS 220.A O no hydrogen 2.818 N/A VAL 197.A N HIS 142.A O no hydrogen 2.902 N/A TRP 198.A N VAL 218.A O no hydrogen 2.952 N/A THR 199.A OG1 GLU 217.A OE2 no hydrogen 2.604 N/A SER 200.A N VAL 216.A O no hydrogen 2.808 N/A GLY 202.A N THR 214.A O no hydrogen 2.846 N/A LYS 203.A NZ TYR 137.A OH no hydrogen 3.088 N/A LYS 203.A NZ HIS 212.A O no hydrogen 2.799 N/A ASP 204.A N HIS 212.A NE2 no hydrogen 2.868 N/A ASP 206.A N ASP 204.A OD1 no hydrogen 2.961 N/A ASP 207.A N ASP 204.A O no hydrogen 2.923 N/A GLU 209.A N ASP 207.A OD1 no hydrogen 2.907 N/A THR 210.A N ASP 207.A OD1 no hydrogen 2.958 N/A THR 210.A OG1 ASP 207.A OD1 no hydrogen 3.454 N/A THR 210.A OG1 ASP 207.A OD2 no hydrogen 2.679 N/A THR 210.A OG1 HIS 212.A ND1 no hydrogen 3.107 N/A HIS 212.A ND1 THR 210.A O no hydrogen 3.050 N/A HIS 212.A ND1 THR 210.A OG1 no hydrogen 3.107 N/A LEU 213.A N TYR 45.A O no hydrogen 2.900 N/A THR 214.A N GLY 202.A O no hydrogen 3.065 N/A ILE 215.A N ALA 43.A O no hydrogen 2.878 N/A VAL 216.A N SER 200.A O no hydrogen 3.076 N/A GLU 217.A N ILE 41.A O no hydrogen 2.815 N/A VAL 218.A N TRP 198.A O no hydrogen 2.810 N/A ILE 219.A N GLY 39.A O no hydrogen 2.863 N/A LYS 220.A N THR 196.A O no hydrogen 3.042 N/A ALA 221.A N LYS 69.A O no hydrogen 2.879 N/A VAL 222.A N HIS 194.A O no hydrogen 2.751 N/A GLU 225.A N ASP 223.A OD1 no hydrogen 2.899 N/A THR 226.A N ASP 223.A O no hydrogen 2.963 N/A THR 226.A OG1 ASP 223.A O no hydrogen 2.729 N/A TYR 227.A N LEU 224.A O no hydrogen 3.009 N/A TYR 227.A OH HIS 194.A ND1 no hydrogen 2.758 N/A ARG 228.A N GLU 225.A O no hydrogen 3.194 N/A ARG 228.A NH1 GLU 225.A OE2 no hydrogen 2.894 N/A