Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ljd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A NZ ALA 3.A O no hydrogen 2.777 N/A LYS 5.A NZ GLY 108.A O no hydrogen 2.729 N/A MET 8.A N GLY 31.A O no hydrogen 3.071 N/A LYS 9.A N ASP 109.A O no hydrogen 2.515 N/A ILE 10.A N GLY 29.A O no hydrogen 2.742 N/A ASN 11.A N PHE 111.A O no hydrogen 2.714 N/A LEU 12.A N GLY 27.A O no hydrogen 3.232 N/A ARG 13.A N ASN 113.A O no hydrogen 3.090 N/A ARG 13.A NE ASP 26.A OD1 no hydrogen 2.259 N/A ARG 13.A NH1 ASP 26.A OD2 no hydrogen 3.177 N/A MET 14.A N ILE 25.A O no hydrogen 2.725 N/A GLU 15.A N VAL 115.A O no hydrogen 3.063 N/A GLY 16.A N PHE 23.A O no hydrogen 2.850 N/A ASN 17.A N PHE 117.A O no hydrogen 3.007 N/A VAL 18.A N HIS 21.A O no hydrogen 3.094 N/A ASN 19.A N GLY 119.A O no hydrogen 3.175 N/A ASN 19.A ND2 PHE 122.A O no hydrogen 2.752 N/A HIS 21.A N VAL 18.A O no hydrogen 3.005 N/A HIS 21.A NE2 GLY 47.A O no hydrogen 2.705 N/A HIS 22.A ND1 GLY 20.A O no hydrogen 3.139 N/A PHE 23.A N GLY 16.A O no hydrogen 2.977 N/A VAL 24.A N GLU 46.A O no hydrogen 2.948 N/A ILE 25.A N MET 14.A O no hydrogen 2.827 N/A ASP 26.A N GLU 43.A O no hydrogen 2.994 N/A GLY 27.A N LEU 12.A O no hydrogen 2.766 N/A ASP 28.A N ASP 41.A O no hydrogen 3.053 N/A GLY 29.A N ILE 10.A O no hydrogen 2.854 N/A THR 30.A N SER 39.A O no hydrogen 3.038 N/A GLY 31.A N MET 8.A O no hydrogen 2.984 N/A LYS 32.A N LYS 37.A O no hydrogen 2.768 N/A LYS 32.A NZ ASP 7.A OD1 no hydrogen 2.615 N/A GLU 35.A N LYS 32.A O no hydrogen 3.069 N/A GLY 36.A N LYS 32.A O no hydrogen 2.944 N/A LYS 37.A N LYS 32.A O no hydrogen 3.374 N/A GLN 38.A N GLU 207.A O no hydrogen 3.134 N/A GLN 38.A NE2 GLU 207.A OE1 no hydrogen 3.306 N/A SER 39.A N THR 30.A O no hydrogen 2.961 N/A MET 40.A N LEU 205.A O no hydrogen 2.736 N/A ASP 41.A N ASP 28.A O no hydrogen 3.394 N/A LEU 42.A N VAL 203.A O no hydrogen 2.600 N/A GLU 43.A N ASP 26.A O no hydrogen 2.796 N/A VAL 44.A N ASN 201.A O no hydrogen 3.350 N/A LYS 45.A N VAL 24.A O no hydrogen 2.457 N/A GLU 46.A N VAL 24.A O no hydrogen 3.225 N/A ALA 53.A N VAL 128.A O no hydrogen 2.876 N/A LEU 57.A N PHE 54.A O no hydrogen 2.964 N/A THR 58.A N ASP 55.A O no hydrogen 3.235 N/A THR 58.A OG1 ASP 55.A O no hydrogen 2.622 N/A ALA 60.A N LEU 57.A O no hydrogen 2.909 N/A PHE 61.A N THR 58.A O no hydrogen 3.086 N/A ARG 63.A N TYR 84.A OH no hydrogen 3.063 N/A ARG 63.A NE GLU 141.A OE1 no hydrogen 3.305 N/A VAL 64.A N ASN 62.A OD1 no hydrogen 3.125 N/A PHE 65.A N ASN 62.A O no hydrogen 3.336 N/A GLU 67.A N ALA 209.A O no hydrogen 3.043 N/A TYR 68.A OH HIS 185.A NE2 no hydrogen 3.090 N/A ILE 72.A N PRO 69.A O no hydrogen 3.473 N/A LYS 77.A N ASP 74.A OD1 no hydrogen 2.915 N/A LYS 77.A NZ PRO 33.A O no hydrogen 3.154 N/A LYS 77.A NZ VAL 64.A O no hydrogen 3.074 N/A LYS 77.A NZ ALA 66.A O no hydrogen 3.028 N/A LYS 77.A NZ ASP 74.A OD2 no hydrogen 3.231 N/A SER 79.A N PHE 76.A O no hydrogen 3.277 N/A SER 79.A OG TYR 75.A O no hydrogen 2.747 N/A GLY 83.A N SER 79.A O no hydrogen 2.564 N/A TYR 84.A N ILE 104.A O no hydrogen 3.306 N/A TYR 84.A OH ASN 62.A OD1 no hydrogen 2.576 N/A SER 85.A N LYS 173.A O no hydrogen 3.236 N/A TRP 86.A N ASN 102.A O no hydrogen 3.008 N/A GLU 87.A N THR 171.A O no hydrogen 3.100 N/A ARG 88.A N ALA 100.A O no hydrogen 2.782 N/A ARG 88.A NE THR 170.A OG1 no hydrogen 2.831 N/A ARG 88.A NH1 THR 59.A O no hydrogen 2.436 N/A SER 89.A N ARG 169.A O no hydrogen 2.993 N/A LEU 90.A N CYS 98.A O no hydrogen 2.676 N/A THR 91.A N ASP 167.A O no hydrogen 2.962 N/A PHE 92.A N GLY 96.A O no hydrogen 2.930 N/A GLU 93.A N ARG 166.A O no hydrogen 2.999 N/A GLY 95.A N PHE 92.A O no hydrogen 3.411 N/A ILE 97.A N VAL 120.A O no hydrogen 3.155 N/A CYS 98.A N LEU 90.A O no hydrogen 2.764 N/A ILE 99.A N HIS 118.A O no hydrogen 2.892 N/A ALA 100.A N ARG 88.A O no hydrogen 2.864 N/A ARG 101.A N ARG 116.A O no hydrogen 3.024 N/A ARG 101.A NE GLU 87.A OE2 no hydrogen 3.287 N/A ASN 102.A N TRP 86.A O no hydrogen 3.140 N/A ASN 102.A ND2 ASN 113.A OD1 no hydrogen 3.423 N/A ASP 103.A N LYS 114.A O no hydrogen 3.124 N/A ILE 104.A N TYR 84.A O no hydrogen 2.840 N/A THR 105.A N TYR 112.A O no hydrogen 2.855 N/A GLU 107.A N THR 110.A O no hydrogen 2.922 N/A THR 110.A N GLU 107.A O no hydrogen 3.246 N/A THR 110.A OG1 ASP 109.A OD1 no hydrogen 3.072 N/A PHE 111.A N LYS 9.A O no hydrogen 2.831 N/A TYR 112.A N THR 105.A O no hydrogen 2.634 N/A ASN 113.A N ASN 11.A O no hydrogen 2.843 N/A ASN 113.A ND2 ASN 11.A O no hydrogen 3.121 N/A LYS 114.A N ASP 103.A O no hydrogen 3.093 N/A VAL 115.A N ARG 13.A O no hydrogen 3.033 N/A ARG 116.A N ARG 101.A O no hydrogen 2.809 N/A ARG 116.A NH2 VAL 115.A O no hydrogen 3.254 N/A PHE 117.A N GLU 15.A O no hydrogen 3.322 N/A HIS 118.A N ILE 99.A O no hydrogen 3.015 N/A GLY 119.A N ASN 17.A O no hydrogen 2.920 N/A VAL 120.A N ILE 97.A O no hydrogen 2.998 N/A PHE 122.A N ASN 19.A OD1 no hydrogen 3.296 N/A GLY 126.A N PRO 123.A O no hydrogen 3.112 N/A GLN 130.A N GLY 126.A O no hydrogen 2.861 N/A GLN 130.A NE2 ALA 124.A O no hydrogen 2.876 N/A LYS 131.A N VAL 128.A O no hydrogen 3.321 N/A LYS 131.A NZ LEU 50.A O no hydrogen 2.614 N/A LYS 132.A N PRO 127.A O no hydrogen 2.938 N/A THR 133.A OG1 ASP 55.A OD2 no hydrogen 2.638 N/A LEU 134.A N LEU 158.A O no hydrogen 2.673 N/A TRP 136.A NE1 ASP 55.A O no hydrogen 2.703 N/A GLU 137.A N ALA 156.A O no hydrogen 3.024 N/A SER 139.A N HIS 189.A O no hydrogen 3.403 N/A THR 140.A OG1 ASP 188.A OD1 no hydrogen 2.715 N/A GLU 141.A N VAL 187.A O no hydrogen 2.866 N/A LYS 142.A N ASP 153.A O no hydrogen 2.899 N/A MET 143.A N HIS 185.A O no hydrogen 2.918 N/A TYR 144.A N THR 151.A O no hydrogen 3.011 N/A TYR 144.A OH ASP 153.A OD2 no hydrogen 2.665 N/A ARG 146.A N VAL 149.A O no hydrogen 2.899 N/A ARG 146.A NE TYR 144.A OH no hydrogen 3.298 N/A ARG 146.A NH2 TYR 144.A OH no hydrogen 3.459 N/A VAL 149.A N ARG 146.A O no hydrogen 3.259 N/A THR 151.A N TYR 144.A O no hydrogen 2.840 N/A THR 151.A OG1 VAL 149.A O no hydrogen 3.014 N/A GLY 152.A N THR 170.A O no hydrogen 2.843 N/A ASP 153.A N LYS 142.A O no hydrogen 3.027 N/A ILE 154.A N SER 168.A O no hydrogen 2.986 N/A THR 155.A OG1 ASP 167.A OD1 no hydrogen 2.977 N/A LEU 157.A N TYR 165.A O no hydrogen 2.855 N/A LEU 158.A N LYS 135.A O no hydrogen 2.790 N/A LEU 159.A N ALA 163.A O no hydrogen 2.848 N/A GLU 160.A N LYS 132.A O no hydrogen 2.893 N/A HIS 164.A NE2 GLU 137.A OE2 no hydrogen 2.864 N/A TYR 165.A N LEU 157.A O no hydrogen 2.917 N/A TYR 165.A OH ASP 94.A OD1 no hydrogen 2.236 N/A ARG 166.A N GLU 93.A OE2 no hydrogen 2.790 N/A SER 168.A N ILE 154.A O no hydrogen 2.950 N/A ARG 169.A N SER 89.A O no hydrogen 3.186 N/A ARG 169.A NE ASP 153.A OD1 no hydrogen 2.829 N/A ARG 169.A NH1 ASP 153.A OD1 no hydrogen 3.567 N/A ARG 169.A NH1 ASP 153.A OD2 no hydrogen 3.027 N/A THR 170.A N GLY 152.A O no hydrogen 2.861 N/A THR 171.A N GLU 87.A O no hydrogen 2.783 N/A THR 171.A OG1 GLU 87.A O no hydrogen 3.344 N/A TYR 172.A N LEU 150.A O no hydrogen 2.952 N/A TYR 172.A OH GLU 141.A OE2 no hydrogen 2.907 N/A LYS 173.A N SER 85.A O no hydrogen 3.000 N/A ALA 174.A N TYR 75.A OH no hydrogen 2.788 N/A LYS 175.A N GLY 83.A O no hydrogen 3.146 N/A LYS 175.A NZ ILE 104.A O no hydrogen 3.218 N/A HIS 185.A N MET 143.A O no hydrogen 3.160 N/A HIS 185.A ND1 GLY 183.A O no hydrogen 2.969 N/A HIS 185.A NE2 TYR 68.A OH no hydrogen 3.090 N/A LEU 186.A N HIS 212.A O no hydrogen 2.806 N/A VAL 187.A N GLU 141.A O no hydrogen 2.990 N/A ASP 188.A N VAL 210.A O no hydrogen 2.733 N/A HIS 189.A N SER 139.A O no hydrogen 2.821 N/A HIS 189.A ND1 GLU 207.A OE2 no hydrogen 2.964 N/A HIS 189.A NE2 GLU 141.A OE1 no hydrogen 2.827 N/A GLU 192.A N TYR 206.A O no hydrogen 2.844 N/A LEU 194.A N LYS 204.A O no hydrogen 2.805 N/A HIS 196.A ND1 ASP 197.A O no hydrogen 2.661 N/A ASP 197.A N LYS 202.A O no hydrogen 3.288 N/A TYR 200.A N ASP 197.A O no hydrogen 3.352 N/A LYS 202.A N ASP 197.A OD1 no hydrogen 2.971 N/A VAL 203.A N LEU 42.A O no hydrogen 3.242 N/A LYS 204.A N SER 195.A O no hydrogen 2.975 N/A LYS 204.A NZ ASP 41.A OD1 no hydrogen 2.859 N/A LYS 204.A NZ ASP 41.A OD2 no hydrogen 3.374 N/A LEU 205.A N MET 40.A O no hydrogen 2.750 N/A TYR 206.A N GLU 192.A O no hydrogen 2.931 N/A GLU 207.A N GLN 38.A O no hydrogen 2.891 N/A HIS 208.A N CYS 190.A O no hydrogen 2.769 N/A ALA 209.A N GLY 36.A O no hydrogen 2.951 N/A VAL 210.A N ASP 188.A O no hydrogen 3.009 N/A ALA 211.A N GLU 67.A O no hydrogen 3.041 N/A HIS 212.A N LEU 186.A O no hydrogen 2.842 N/A HIS 212.A NE2 ASP 188.A OD1 no hydrogen 2.915 N/A SER 213.A OG HIS 71.A NE2 no hydrogen 3.173 N/A GLY 214.A N HIS 212.A ND1 no hydrogen 3.163 N/A ASP 217.A N GLY 214.A O no hydrogen 2.679 N/A ASN 218.A N GLY 214.A O no hydrogen 3.033 N/A