Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ayy_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLY 142.A O no hydrogen 3.357 N/A ILE 1.A N ASN 143.A O no hydrogen 2.868 N/A ILE 1.A N ASP 204.A OD2 no hydrogen 2.636 N/A VAL 2.A N ASP 199.A O no hydrogen 2.898 N/A SER 5.A N VAL 162.A O no hydrogen 2.973 N/A ALA 7.A N LEU 160.A O no hydrogen 2.833 N/A MET 11.A N GLU 8.A O no hydrogen 3.241 N/A GLN 15.A N SER 12.A O no hydrogen 3.049 N/A GLN 15.A NE2 THR 139.A O no hydrogen 3.612 N/A VAL 16.A N ALA 30.A O no hydrogen 2.938 N/A MET 17.A N ARG 62.A O no hydrogen 2.889 N/A LEU 18.A N CYS 28.A O no hydrogen 2.830 N/A PHE 19.A N LEU 60.A O no hydrogen 2.844 N/A ARG 20.A N GLU 25.A O no hydrogen 3.046 N/A ARG 20.A NH1 GLU 25.A OE2 no hydrogen 2.776 N/A LYS 21.A N ASP 58.A O no hydrogen 3.208 N/A LYS 21.A NZ ASN 57.A O no hydrogen 3.288 N/A LEU 27.A N LEU 18.A O no hydrogen 2.823 N/A CYS 28.A SG LEU 27.A O no hydrogen 3.007 N/A CYS 28.A SG SER 205.A O no hydrogen 3.451 N/A GLY 29.A N SER 205.A O no hydrogen 2.756 N/A ALA 30.A N VAL 16.A O no hydrogen 3.012 N/A SER 31.A N LEU 39.A O no hydrogen 2.875 N/A LEU 32.A N TRP 14.A O no hydrogen 2.781 N/A ILE 33.A N TRP 37.A O no hydrogen 3.145 N/A ARG 36.A N.A SER 34.A OG no hydrogen 3.354 N/A ARG 36.A N.B SER 34.A OG no hydrogen 3.311 N/A ARG 36.A NE.A LEU 105.A O no hydrogen 3.142 N/A ARG 36.A NH2.A LEU 105.A O no hydrogen 3.224 N/A VAL 38.A N MET 103.A O no hydrogen 2.951 N/A LEU 39.A N SER 31.A O no hydrogen 2.822 N/A THR 40.A N ALA 101.A O no hydrogen 3.005 N/A THR 40.A OG1 GLY 29.A O no hydrogen 3.037 N/A HIS 43.A N ASP 99.A OD1 no hydrogen 2.809 N/A HIS 43.A ND1 ASP 99.A OD2 no hydrogen 2.659 N/A HIS 43.A NE2 SER 205.A OG no hydrogen 3.190 N/A CYS 44.A N ALA 41.A O no hydrogen 3.310 N/A LEU 45.A N ALA 42.A O no hydrogen 2.903 N/A LEU 46.A N ALA 42.A O no hydrogen 3.062 N/A TYR 47.A N LYS 52.A O no hydrogen 2.876 N/A TRP 50.A N TYR 47.A O no hydrogen 3.254 N/A ASP 51.A N PRO 48.A O no hydrogen 2.731 N/A LYS 52.A N TYR 47.A O no hydrogen 3.139 N/A LYS 52.A NZ HIS 43.A O no hydrogen 3.468 N/A PHE 54.A N LEU 45.A O no hydrogen 2.784 N/A THR 55.A N ASP 58.A OD2 no hydrogen 3.006 N/A GLU 56.A N GLU 56.A OE1 no hydrogen 2.686 N/A ASP 58.A N THR 55.A O no hydrogen 2.997 N/A LEU 60.A N PHE 19.A O no hydrogen 2.746 N/A VAL 61.A N SER 79.A O no hydrogen 3.106 N/A ARG 62.A N MET 17.A O no hydrogen 2.930 N/A ARG 62.A NE GLU 76.A OE1 no hydrogen 2.679 N/A ARG 62.A NH2 GLU 76.A OE1 no hydrogen 3.012 N/A ARG 62.A NH2 GLU 76.A OE2 no hydrogen 2.975 N/A ILE 63.A N LYS 77.A O no hydrogen 2.919 N/A LYS 65.A NZ SER 67.A O no hydrogen 3.249 N/A LYS 65.A NZ ARG 70.A O no hydrogen 2.766 N/A LYS 65.A NZ GLU 72.A OE1 no hydrogen 2.755 N/A LYS 65.A NZ GLU 76.A OE2 no hydrogen 3.047 N/A HIS 66.A N GLU 72.A OE1 no hydrogen 2.991 N/A HIS 66.A N GLU 72.A OE2 no hydrogen 3.342 N/A SER 67.A N GLU 72.A OE2 no hydrogen 2.804 N/A ARG 68.A N SER 158.A O no hydrogen 2.819 N/A ARG 68.A NE PRO 157.A O no hydrogen 2.780 N/A THR 69.A N SER 67.A OG no hydrogen 3.194 N/A ARG 70.A N SER 67.A OG no hydrogen 2.990 N/A GLU 72.A N GLU 76.A OE2 no hydrogen 2.761 N/A ARG 73.A N TYR 71.A O no hydrogen 2.942 N/A ILE 75.A N GLU 72.A O no hydrogen 2.993 N/A GLU 76.A N GLU 72.A O no hydrogen 2.993 N/A LYS 77.A N ILE 63.A O no hydrogen 2.888 N/A SER 79.A N VAL 61.A O no hydrogen 2.898 N/A GLU 82.A N LYS 104.A O no hydrogen 2.734 N/A ILE 84.A N GLU 56.A OE2 no hydrogen 3.042 N/A TYR 85.A N LEU 102.A O no hydrogen 2.847 N/A HIS 87.A N ILE 100.A O no hydrogen 3.455 N/A ARG 89.A N HIS 87.A ND1 no hydrogen 2.991 N/A TYR 90.A N HIS 87.A O no hydrogen 3.117 N/A TYR 90.A OH LEU 46.A O no hydrogen 2.862 N/A ASN 91.A N ASP 97.A O no hydrogen 2.885 N/A GLU 94.A N ASN 91.A OD1 no hydrogen 3.430 N/A ASN 95.A ND2 ARG 180.A O no hydrogen 2.715 N/A LEU 96.A N ASN 91.A O no hydrogen 2.816 N/A ALA 101.A N THR 40.A O no hydrogen 2.959 N/A LEU 102.A N TYR 85.A O no hydrogen 2.868 N/A MET 103.A N VAL 38.A O no hydrogen 2.971 N/A LYS 104.A N LYS 83.A O no hydrogen 2.910 N/A LYS 104.A NZ GLU 82.A OE2 no hydrogen 3.244 N/A LYS 104.A NZ PHE 257.A O no hydrogen 3.186 N/A LEU 105.A N ARG 36.A O.A no hydrogen 2.843 N/A LEU 105.A N ARG 36.A O.B no hydrogen 2.742 N/A LYS 106.A N MET 80.A O no hydrogen 3.049 N/A VAL 109.A N ASP 35.A O no hydrogen 3.080 N/A SER 112.A N ILE 115.A O no hydrogen 3.036 N/A TYR 114.A N SER 112.A OG no hydrogen 3.165 N/A HIS 116.A N PRO 13.A O no hydrogen 3.178 N/A VAL 118.A N LEU 32.A O no hydrogen 3.180 N/A CYS 119.A N TRP 219.A O no hydrogen 3.185 N/A THR 125.A N ASP 122.A OD1 no hydrogen 3.055 N/A THR 125.A OG1 ASP 122.A OD1 no hydrogen 2.632 N/A ALA 126.A N ASP 122.A O no hydrogen 3.037 N/A ALA 127.A N ARG 123.A O no hydrogen 3.055 N/A SER 128.A N GLU 124.A O no hydrogen 2.995 N/A SER 128.A OG GLU 124.A O no hydrogen 2.876 N/A LEU 129.A N THR 125.A O no hydrogen 2.881 N/A LEU 130.A N ALA 126.A O no hydrogen 3.067 N/A GLN 131.A N LEU 129.A O no hydrogen 2.945 N/A GLY 133.A N ILE 167.A O no hydrogen 2.781 N/A TYR 134.A N GLN 131.A O no hydrogen 3.058 N/A GLY 136.A N LEU 165.A O no hydrogen 2.899 N/A ARG 137.A N VAL 210.A O no hydrogen 2.832 N/A ARG 137.A NE ASN 164.A OD1 no hydrogen 3.129 N/A VAL 138.A N VAL 163.A O no hydrogen 2.874 N/A GLY 140.A N GLN 161.A O no hydrogen 3.124 N/A TRP 141.A NE1 HIS 66.A O no hydrogen 3.039 N/A GLY 142.A N ASP 204.A OD1 no hydrogen 2.847 N/A ASN 143.A N GLU 202.A O.A no hydrogen 2.818 N/A ASN 143.A N GLU 202.A O.B no hydrogen 2.807 N/A LEU 144.A N GLY 155.A O no hydrogen 2.793 N/A VAL 152.A N THR 149.A O no hydrogen 3.279 N/A GLY 153.A N THR 149.A O no hydrogen 3.085 N/A LEU 160.A N HIS 66.A O no hydrogen 2.922 N/A GLN 161.A N GLY 140.A O no hydrogen 3.029 N/A VAL 162.A N SER 5.A O no hydrogen 2.875 N/A VAL 163.A N VAL 138.A O no hydrogen 3.036 N/A LEU 165.A N GLY 136.A O no hydrogen 2.835 N/A ILE 167.A N TYR 134.A O no hydrogen 2.806 N/A VAL 168.A N CYS 187.A O no hydrogen 3.079 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.842 N/A ARG 170.A NH1 THR 182.A O no hydrogen 3.333 N/A ARG 170.A NH1 MET 185.A O no hydrogen 3.341 N/A ARG 170.A NH2 MET 185.A O no hydrogen 2.968 N/A CYS 173.A N GLU 169.A O no hydrogen 3.100 N/A CYS 173.A SG VAL 168.A O no hydrogen 3.644 N/A CYS 173.A SG GLU 169.A O no hydrogen 3.601 N/A LYS 174.A N ARG 170.A O no hydrogen 3.047 N/A ASP 175.A N PRO 171.A O no hydrogen 3.085 N/A SER 176.A N CYS 173.A O no hydrogen 3.283 N/A SER 176.A OG CYS 173.A O no hydrogen 2.747 N/A THR 177.A OG1 GLU 229.A OE1 no hydrogen 3.328 N/A ILE 179.A N THR 177.A OG1 no hydrogen 3.026 N/A ARG 180.A NH1 GLU 94.A OE2 no hydrogen 3.502 N/A THR 182.A OG1 ASP 97.A OD1 no hydrogen 2.598 N/A ASN 184.A N THR 182.A OG1 no hydrogen 2.958 N/A ASN 184.A ND2 ASP 97.A OD1 no hydrogen 3.089 N/A PHE 186.A N TYR 240.A O no hydrogen 2.998 N/A ALA 188.A N GLY 238.A O no hydrogen 3.033 N/A GLY 189.A N PRO 166.A O no hydrogen 2.937 N/A TYR 190.A OH ASN 164.A O no hydrogen 3.254 N/A LYS 191.A N GLU 194.A OE2 no hydrogen 2.908 N/A LYS 191.A NZ GLU 169.A OE1 no hydrogen 2.863 N/A LYS 191.A NZ GLU 169.A OE2 no hydrogen 3.360 N/A GLU 194.A N LYS 191.A O no hydrogen 2.902 N/A ARG 197.A NE ASP 232.A OD2 no hydrogen 2.811 N/A ARG 197.A NH1 ASP 234.A OD1 no hydrogen 2.866 N/A ARG 197.A NH2 ASP 232.A O no hydrogen 2.489 N/A ARG 197.A NH2 ASP 232.A OD2 no hydrogen 3.512 N/A ARG 197.A NH2 ASP 234.A OD1 no hydrogen 3.219 N/A GLY 198.A N ASP 232.A OD1 no hydrogen 2.965 N/A ASP 199.A N VAL 2.A O no hydrogen 3.292 N/A ALA 200.A N ASP 199.A OD1 no hydrogen 2.801 N/A CYS 201.A N ASP 204.A OD2 no hydrogen 2.870 N/A CYS 201.A SG LYS 145.A O no hydrogen 3.744 N/A ASP 204.A N CYS 201.A O no hydrogen 2.860 N/A SER 205.A OG HIS 43.A NE2 no hydrogen 3.190 N/A GLY 206.A N VAL 225.A O no hydrogen 2.880 N/A GLY 207.A N ASP 204.A O no hydrogen 3.090 N/A PHE 209.A N GLY 223.A O no hydrogen 2.938 N/A VAL 210.A N ARG 137.A O no hydrogen 2.913 N/A MET 211.A N TYR 220.A O no hydrogen 2.805 N/A SER 213.A N ARG 218.A O no hydrogen 2.855 N/A SER 213.A OG ASN 216.A OD1 no hydrogen 3.229 N/A PHE 215.A N SER 213.A OG no hydrogen 3.292 N/A ASN 216.A ND2 TYR 220.A OH no hydrogen 2.992 N/A ASN 217.A N SER 213.A O no hydrogen 2.917 N/A ARG 218.A N ASN 216.A OD1 no hydrogen 3.128 N/A TYR 220.A N MET 211.A O no hydrogen 2.788 N/A GLN 221.A N CYS 119.A O no hydrogen 2.912 N/A GLN 221.A NE2 SER 31.A OG no hydrogen 2.687 N/A MET 222.A N PHE 209.A O no hydrogen 2.890 N/A GLY 223.A N PHE 209.A O no hydrogen 3.139 N/A ILE 224.A N THR 241.A O no hydrogen 3.296 N/A VAL 225.A N GLY 207.A O no hydrogen 2.866 N/A SER 226.A N PHE 239.A O no hydrogen 3.161 N/A SER 226.A OG ASP 99.A OD2 no hydrogen 2.695 N/A TRP 227.A N PHE 239.A O no hydrogen 3.291 N/A CYS 231.A N GLU 146.A OE1 no hydrogen 3.267 N/A CYS 231.A SG ALA 200.A O no hydrogen 3.897 N/A ASP 232.A N ASP 199.A OD2 no hydrogen 2.937 N/A ARG 233.A NE GLU 146.A OE1 no hydrogen 3.162 N/A ARG 233.A NH2 GLU 146.A OE2 no hydrogen 2.810 N/A LYS 236.A N ARG 233.A O no hydrogen 3.225 N/A LYS 236.A NZ SER 176.A O no hydrogen 2.950 N/A LYS 236.A NZ GLU 229.A OE1 no hydrogen 2.673 N/A GLY 238.A N ALA 188.A O no hydrogen 3.236 N/A PHE 239.A N TRP 227.A O no hydrogen 2.755 N/A TYR 240.A N PHE 186.A O no hydrogen 2.777 N/A THR 241.A N ILE 224.A O no hydrogen 3.014 N/A THR 241.A OG1 ASP 99.A O no hydrogen 2.826 N/A HIS 242.A N ASN 184.A O no hydrogen 2.937 N/A VAL 243.A N MET 222.A O no hydrogen 3.106 N/A ARG 245.A N HIS 242.A ND1 no hydrogen 3.409 N/A ARG 245.A NE ASN 184.A OD1 no hydrogen 3.328 N/A ARG 245.A NH2 ASN 184.A OD1 no hydrogen 3.326 N/A LEU 246.A N VAL 243.A O no hydrogen 3.060 N/A LYS 247.A N PHE 244.A O no hydrogen 3.012 N/A ILE 250.A N LEU 246.A O no hydrogen 3.344 N/A GLN 251.A N LYS 247.A O no hydrogen 2.938 N/A LYS 252.A N LYS 248.A O no hydrogen 2.982 N/A VAL 253.A N TRP 249.A O no hydrogen 2.995 N/A ILE 254.A N ILE 250.A O no hydrogen 2.961 N/A ASP 255.A N GLN 251.A O no hydrogen 3.065 N/A GLN 256.A N LYS 252.A O no hydrogen 3.054 N/A PHE 257.A N VAL 253.A O no hydrogen 3.084 N/A