Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xab_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 29.A OE1 no hydrogen 2.982 N/A GLY 5.A N GLN 25.A O no hydrogen 2.818 N/A ASP 8.A N ASP 11.A OD2 no hydrogen 2.883 N/A ASP 11.A N ASP 8.A OD1 no hydrogen 3.065 N/A ARG 12.A N ASP 8.A O no hydrogen 3.369 N/A ARG 12.A NE.A ALA 95.A O no hydrogen 3.321 N/A ARG 12.A NH2.A ASP 98.A OD1 no hydrogen 3.382 N/A ARG 12.A NH2.A ASP 98.A OD2 no hydrogen 2.692 N/A GLU 13.A N HIS 9.A O no hydrogen 2.857 N/A GLU 14.A N ARG 10.A O no hydrogen 2.967 N/A PHE 15.A N ASP 11.A O no hydrogen 2.987 N/A ARG 16.A N ARG 12.A O no hydrogen 2.964 N/A ARG 16.A NE PHE 96.A O no hydrogen 2.686 N/A ARG 16.A NH2 ASP 98.A OD2 no hydrogen 2.302 N/A SER 17.A N GLU 13.A O no hydrogen 3.002 N/A ARG 18.A N GLU 14.A O no hydrogen 2.782 N/A GLY 19.A N PHE 15.A O no hydrogen 2.777 N/A ALA 21.A N VAL 203.A O no hydrogen 2.883 N/A LEU 23.A N ALA 201.A O no hydrogen 2.821 N/A GLN 25.A NE2 ALA 27.A O no hydrogen 2.831 N/A VAL 26.A N GLY 199.A O no hydrogen 2.751 N/A ALA 27.A N GLY 199.A O no hydrogen 3.009 N/A SER 28.A N GLU 31.A OE1 no hydrogen 2.929 N/A SER 28.A OG SER 30.A OG no hydrogen 3.131 N/A SER 30.A OG SER 28.A OG no hydrogen 3.131 N/A GLU 31.A N SER 28.A OG no hydrogen 3.074 N/A VAL 32.A N SER 28.A O no hydrogen 2.861 N/A ALA 33.A N GLU 29.A O no hydrogen 2.972 N/A TRP 34.A N SER 30.A O no hydrogen 3.087 N/A LEU 35.A N GLU 31.A O no hydrogen 2.949 N/A ARG 36.A N VAL 32.A O no hydrogen 2.849 N/A ARG 36.A NE LEU 145.A O no hydrogen 2.800 N/A ARG 36.A NH2 LEU 145.A O no hydrogen 2.760 N/A GLN 37.A N ALA 33.A O no hydrogen 3.167 N/A ALA 38.A N TRP 34.A O no hydrogen 3.010 N/A TYR 39.A N LEU 35.A O no hydrogen 2.916 N/A TYR 39.A OH ALA 223.A O no hydrogen 2.666 N/A ASP 40.A N ARG 36.A O no hydrogen 2.916 N/A ARG 41.A N ALA 38.A O no hydrogen 3.251 N/A LEU 42.A N ALA 38.A O no hydrogen 2.947 N/A PHE 43.A N TYR 39.A O no hydrogen 2.807 N/A ARG 46.A N PHE 52.A O no hydrogen 2.790 N/A ARG 46.A NH1 ASP 54.A OD2 no hydrogen 2.954 N/A THR 48.A OG1 GLU 50.A O no hydrogen 3.494 N/A PHE 52.A N ARG 46.A O no hydrogen 2.960 N/A ASP 54.A N VAL 44.A O no hydrogen 2.868 N/A ILE 55.A N TYR 53.A O no hydrogen 2.833 N/A GLY 57.A N ASP 60.A OD1 no hydrogen 3.067 N/A GLN 58.A N ILE 55.A O no hydrogen 3.151 N/A GLN 58.A NE2 LEU 66.A O no hydrogen 2.522 N/A ARG 59.A N ILE 55.A O no hydrogen 3.234 N/A ARG 59.A NH1 ASP 54.A OD1 no hydrogen 3.266 N/A ARG 61.A N GLN 58.A O no hydrogen 3.323 N/A ARG 61.A NE PRO 64.A O no hydrogen 2.604 N/A ARG 61.A NH1 ASP 176.A OD1 no hydrogen 3.013 N/A ARG 61.A NH2 PRO 64.A O no hydrogen 2.964 N/A ARG 61.A NH2 ASP 176.A OD1 no hydrogen 3.505 N/A ARG 61.A NH2 ASP 176.A OD2 no hydrogen 2.447 N/A GLU 62.A N ASP 60.A O no hydrogen 3.537 N/A GLU 62.A N GLU 62.A O no hydrogen 2.862 N/A GLY 63.A N GLU 62.A O no hydrogen 2.249 N/A GLN 69.A NE2 HIS 109.A NE2 no hydrogen 3.035 N/A ILE 70.A N ALA 110.A O no hydrogen 2.837 N/A LYS 72.A N GLY 108.A O no hydrogen 2.995 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.715 N/A LYS 75.A N LYS 72.A O no hydrogen 3.049 N/A TYR 76.A N PRO 73.A O no hydrogen 2.866 N/A VAL 77.A N PRO 73.A O no hydrogen 2.850 N/A LEU 80.A N VAL 77.A O no hydrogen 3.080 N/A SER 83.A N LEU 80.A O no hydrogen 3.238 N/A SER 83.A OG LEU 80.A O no hydrogen 2.854 N/A HIS 85.A NE2 THR 143.A OG1 no hydrogen 3.050 N/A PHE 86.A N SER 83.A OG no hydrogen 2.872 N/A ALA 87.A N SER 83.A O no hydrogen 3.164 N/A ARG 88.A N PRO 84.A O no hydrogen 2.903 N/A ARG 88.A NH1 VAL 26.A O no hydrogen 2.740 N/A ARG 88.A NH1 GLU 31.A OE1 no hydrogen 2.899 N/A ARG 88.A NH1 GLU 31.A OE2 no hydrogen 3.481 N/A ARG 88.A NH2 GLU 31.A OE2 no hydrogen 2.943 N/A CYS 89.A N HIS 85.A O no hydrogen 2.929 N/A CYS 89.A SG HIS 85.A O no hydrogen 3.325 N/A ARG 90.A N PHE 86.A O no hydrogen 2.838 N/A ARG 90.A NE GLU 101.A OE1 no hydrogen 2.963 N/A SER 91.A N ALA 87.A O no hydrogen 3.048 N/A SER 91.A OG ALA 87.A O no hydrogen 3.030 N/A SER 91.A OG GLU 101.A OE2 no hydrogen 2.987 N/A ILE 92.A N ARG 88.A O no hydrogen 3.022 N/A ALA 93.A N CYS 89.A O no hydrogen 2.869 N/A SER 94.A N ARG 90.A O no hydrogen 2.917 N/A SER 94.A OG MET 99.A O no hydrogen 2.436 N/A ALA 95.A N SER 91.A O no hydrogen 3.033 N/A PHE 96.A N ILE 92.A O no hydrogen 2.883 N/A LEU 97.A N ALA 93.A O no hydrogen 2.794 N/A MET 99.A N SER 94.A O no hydrogen 3.221 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.659 N/A GLU 103.A N ALA 100.A O no hydrogen 2.915 N/A LEU 104.A N GLU 101.A O no hydrogen 3.136 N/A GLU 105.A N MET 229.A O no hydrogen 2.795 N/A TYR 107.A N VAL 227.A O no hydrogen 3.206 N/A GLY 108.A N GLU 74.A OE2 no hydrogen 2.877 N/A HIS 109.A N VAL 225.A O no hydrogen 2.819 N/A ALA 110.A N ILE 70.A O no hydrogen 2.924 N/A ILE 111.A N ALA 223.A O no hydrogen 3.076 N/A LEU 112.A N PRO 68.A O no hydrogen 3.039 N/A LYS 113.A N ARG 221.A O no hydrogen 2.823 N/A LYS 113.A NZ GLY 213.A O no hydrogen 3.297 N/A ARG 116.A N THR 217.A O no hydrogen 2.932 N/A ARG 116.A NE ASP 218.A OD1 no hydrogen 3.008 N/A TYR 117.A N PRO 114.A O no hydrogen 3.186 N/A THR 121.A N ALA 212.A O no hydrogen 2.709 N/A HIS 124.A N HIS 210.A O no hydrogen 3.065 N/A HIS 124.A ND1 PRO 122.A O no hydrogen 3.016 N/A GLN 125.A N HIS 169.A NE2 no hydrogen 2.989 N/A GLN 125.A NE2 PRO 165.A O no hydrogen 2.959 N/A GLN 125.A NE2 ARG 207.A O no hydrogen 2.870 N/A GLU 127.A N PHE 206.A O no hydrogen 2.858 N/A ALA 128.A N GLN 125.A O no hydrogen 2.911 N/A TYR 129.A N ASP 126.A O no hydrogen 3.082 N/A MET 130.A N GLU 127.A O no hydrogen 2.855 N/A ARG 133.A N ASP 131.A OD1 no hydrogen 2.906 N/A ARG 133.A NE ASP 131.A OD1 no hydrogen 3.029 N/A ARG 133.A NE ASP 131.A OD2 no hydrogen 3.288 N/A ARG 133.A NH2 ASP 131.A OD2 no hydrogen 2.986 N/A TRP 134.A N ASP 131.A O no hydrogen 3.171 N/A ARG 135.A N ALA 233.A O no hydrogen 2.822 N/A ARG 136.A NH1 GLU 105.A OE1 no hydrogen 3.182 N/A ARG 136.A NH1 SER 230.A O no hydrogen 2.922 N/A ARG 137.A N SER 230.A OG no hydrogen 2.984 N/A ARG 137.A NH1 LEU 97.A O no hydrogen 2.874 N/A ARG 137.A NH2 LEU 97.A O no hydrogen 2.806 N/A LEU 139.A N PHE 228.A O no hydrogen 2.911 N/A SER 140.A N HIS 204.A O no hydrogen 2.955 N/A ILE 141.A N LEU 226.A O no hydrogen 2.772 N/A TRP 142.A N VAL 202.A O no hydrogen 2.815 N/A THR 143.A N TYR 224.A O no hydrogen 2.844 N/A THR 143.A OG1 HIS 85.A NE2 no hydrogen 3.050 N/A THR 144.A N GLY 200.A O no hydrogen 2.960 N/A THR 144.A OG1 ASP 146.A O no hydrogen 2.642 N/A THR 144.A OG1 ARG 222.A O no hydrogen 3.397 N/A LEU 145.A N ARG 222.A O no hydrogen 2.886 N/A ASP 146.A N THR 144.A OG1 no hydrogen 3.256 N/A ALA 148.A N LEU 196.A O no hydrogen 2.810 N/A THR 149.A N SER 152.A OG no hydrogen 2.816 N/A THR 149.A OG1 SER 152.A OG no hydrogen 3.411 N/A SER 152.A N THR 149.A O no hydrogen 3.120 N/A SER 152.A N THR 149.A OG1 no hydrogen 3.075 N/A SER 152.A OG THR 149.A O no hydrogen 3.307 N/A SER 152.A OG THR 149.A OG1 no hydrogen 3.411 N/A GLY 153.A N VAL 150.A O no hydrogen 3.398 N/A CYS 154.A N THR 149.A O no hydrogen 2.873 N/A CYS 154.A SG LEU 155.A O no hydrogen 3.768 N/A HIS 156.A N TYR 211.A O no hydrogen 2.770 N/A TYR 157.A N VAL 192.A O no hydrogen 2.865 N/A TYR 157.A OH HIS 204.A ND1 no hydrogen 2.818 N/A LEU 158.A N PRO 209.A O no hydrogen 3.082 N/A GLY 160.A N ARG 18.A O no hydrogen 2.828 N/A GLY 161.A N LEU 158.A O no hydrogen 3.028 N/A HIS 162.A NE2 ARG 16.A O no hydrogen 2.793 N/A ARG 163.A N GLY 160.A O no hydrogen 3.068 N/A ARG 163.A NH1 SER 17.A O no hydrogen 2.760 N/A GLY 164.A N GLY 161.A O no hydrogen 3.076 N/A LEU 167.A N GLN 125.A OE1 no hydrogen 2.805 N/A HIS 169.A ND1 LEU 167.A O no hydrogen 2.629 N/A HIS 170.A N MET 182.A O no hydrogen 2.885 N/A HIS 170.A ND1 HIS 171.A O no hydrogen 3.181 N/A ILE 172.A N GLY 180.A O no hydrogen 3.084 N/A ASP 175.A N ASP 173.A OD1 no hydrogen 2.860 N/A ASP 176.A N ASP 173.A O no hydrogen 2.896 N/A ARG 177.A NE ASN 174.A O no hydrogen 3.270 N/A ARG 177.A NE ASN 174.A OD1 no hydrogen 3.478 N/A ARG 177.A NH1 ASP 245.A OD2 no hydrogen 2.729 N/A ARG 177.A NH2 ASN 174.A OD1 no hydrogen 3.133 N/A ARG 179.A N ASP 176.A O no hydrogen 3.169 N/A GLY 180.A N ARG 177.A O no hydrogen 2.931 N/A LEU 181.A N TYR 129.A OH no hydrogen 2.799 N/A MET 182.A N HIS 170.A O no hydrogen 2.903 N/A THR 183.A N TRP 123.A O no hydrogen 2.852 N/A THR 183.A OG1 PRO 168.A O no hydrogen 2.725 N/A ASP 185.A N THR 183.A OG1 no hydrogen 3.077 N/A THR 189.A N ASP 187.A OD1 no hydrogen 3.229 N/A THR 189.A OG1 ASP 187.A OD1 no hydrogen 3.410 N/A THR 189.A OG1 ASP 187.A OD2 no hydrogen 3.558 N/A SER 190.A N ASP 187.A O no hydrogen 2.860 N/A ALA 191.A N PRO 188.A O no hydrogen 3.105 N/A VAL 192.A N TYR 157.A O no hydrogen 2.918 N/A CYS 194.A N LEU 155.A O no hydrogen 2.956 N/A LEU 196.A N ALA 148.A O no hydrogen 2.895 N/A GLY 199.A N THR 144.A O no hydrogen 2.862 N/A GLY 200.A N ALA 197.A O no hydrogen 2.908 N/A ALA 201.A N LEU 23.A O no hydrogen 2.834 N/A VAL 202.A N TRP 142.A O no hydrogen 3.029 N/A VAL 203.A N ALA 21.A O no hydrogen 2.851 N/A HIS 204.A N SER 140.A O no hydrogen 2.993 N/A HIS 204.A ND1 TYR 157.A OH no hydrogen 2.818 N/A HIS 204.A NE2 ASP 126.A OD2 no hydrogen 3.035 N/A ASP 205.A N GLY 19.A O no hydrogen 3.082 N/A PHE 206.A N GLY 138.A O no hydrogen 3.225 N/A ARG 207.A N ASP 205.A OD1 no hydrogen 2.799 N/A ARG 207.A NE GLU 127.A OE1 no hydrogen 2.948 N/A ARG 207.A NH2 GLU 127.A OE1 no hydrogen 3.402 N/A ARG 207.A NH2 GLU 127.A OE2 no hydrogen 2.926 N/A THR 208.A N ASP 205.A O no hydrogen 3.144 N/A THR 208.A OG1 GLY 19.A O no hydrogen 2.699 N/A HIS 210.A N HIS 124.A O no hydrogen 2.922 N/A HIS 210.A ND1 THR 208.A O no hydrogen 2.882 N/A TYR 211.A N HIS 156.A O no hydrogen 2.935 N/A ALA 212.A N THR 121.A O no hydrogen 2.935 N/A ASN 215.A N TYR 117.A O no hydrogen 2.788 N/A ASN 215.A ND2 LYS 113.A O no hydrogen 3.310 N/A ASN 215.A ND2 PRO 114.A O no hydrogen 2.833 N/A ASN 215.A ND2 GLN 219.A O no hydrogen 2.883 N/A LEU 216.A N GLU 151.A O no hydrogen 2.776 N/A THR 217.A N ASN 215.A OD1 no hydrogen 3.085 N/A THR 217.A OG1 ASN 215.A OD1 no hydrogen 2.718 N/A THR 217.A OG1 GLN 219.A OE1 no hydrogen 3.527 N/A GLN 219.A N THR 217.A OG1 no hydrogen 3.342 N/A ARG 221.A N LYS 113.A O no hydrogen 2.919 N/A ARG 221.A NE THR 217.A OG1 no hydrogen 3.314 N/A ARG 221.A NE GLN 219.A O no hydrogen 3.339 N/A ARG 221.A NH1 GLU 147.A O no hydrogen 2.775 N/A ARG 221.A NH2 THR 217.A OG1 no hydrogen 3.001 N/A ARG 222.A N ASP 146.A OD2 no hydrogen 2.795 N/A ARG 222.A NE ASP 146.A OD2 no hydrogen 2.894 N/A ARG 222.A NH2 ASP 146.A OD1 no hydrogen 2.781 N/A ALA 223.A N ILE 111.A O no hydrogen 2.973 N/A TYR 224.A N THR 143.A O no hydrogen 2.763 N/A VAL 225.A N HIS 109.A O no hydrogen 2.744 N/A LEU 226.A N ILE 141.A O no hydrogen 2.838 N/A VAL 227.A N TYR 107.A O no hydrogen 2.963 N/A PHE 228.A N LEU 139.A O no hydrogen 3.006 N/A MET 229.A N GLU 105.A O no hydrogen 2.873 N/A SER 230.A N ARG 137.A O no hydrogen 2.786 N/A SER 230.A OG ALA 231.A O no hydrogen 2.912 N/A ALA 233.A N ARG 135.A O no hydrogen 2.849 N/A VAL 235.A N ARG 133.A O no hydrogen 3.054 N/A ARG 241.A NE GLU 239.A OE1 no hydrogen 3.048 N/A ARG 241.A NH1 MET 130.A O no hydrogen 2.859 N/A ARG 241.A NH2 GLU 127.A OE2 no hydrogen 3.172 N/A ARG 241.A NH2 GLU 239.A OE1 no hydrogen 3.083 N/A TRP 243.A NE1 ALA 128.A O no hydrogen 2.848 N/A MET 244.A N ARG 241.A O no hydrogen 3.074 N/A