Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nbl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 7.A N ARG 5.A O no hydrogen 2.811 N/A ALA 11.A N ASP 9.A OD1 no hydrogen 2.915 N/A GLU 12.A N ASP 9.A O no hydrogen 3.195 N/A LYS 13.A NZ ALA 11.A O no hydrogen 3.348 N/A TYR 14.A N LYS 251.A O no hydrogen 2.904 N/A TYR 14.A OH ASP 171.A OD1 no hydrogen 2.555 N/A HIS 18.A N ASP 89.A OD1 no hydrogen 2.910 N/A HIS 18.A ND1 ASP 89.A OD1 no hydrogen 2.686 N/A ARG 20.A N ASP 87.A O no hydrogen 2.860 N/A ARG 21.A NE LEU 58.A O no hydrogen 2.801 N/A ARG 21.A NH1 LEU 58.A O no hydrogen 3.211 N/A ARG 21.A NH1 PHE 255.A O no hydrogen 2.795 N/A ARG 21.A NH2 ASP 89.A OD2 no hydrogen 3.060 N/A ALA 24.A N GLU 61.A O no hydrogen 2.891 N/A LEU 25.A N VAL 92.A O no hydrogen 2.871 N/A ILE 26.A N LYS 63.A O no hydrogen 2.946 N/A PHE 27.A N VAL 94.A O no hydrogen 2.856 N/A ASN 28.A N PHE 65.A O no hydrogen 2.856 N/A ASN 28.A ND2 ASN 66.A OD1 no hydrogen 3.069 N/A HIS 29.A N LEU 96.A O no hydrogen 2.898 N/A GLU 30.A N ASP 67.A OD1 no hydrogen 2.862 N/A ARG 31.A N ASP 67.A OD1 no hydrogen 3.526 N/A ARG 31.A NH2 GLU 40.A OE2 no hydrogen 3.013 N/A PHE 33.A N TYR 107.A O no hydrogen 2.886 N/A LEU 36.A N PHE 33.A O no hydrogen 2.953 N/A THR 37.A N TRP 34.A O no hydrogen 3.070 N/A THR 37.A OG1 HIS 35.A O no hydrogen 3.447 N/A ARG 41.A N GLU 30.A O no hydrogen 2.754 N/A ARG 41.A NH1 HIS 29.A O no hydrogen 2.800 N/A ARG 41.A NH1 THR 44.A OG1 no hydrogen 3.001 N/A ARG 42.A NH2 THR 188.A OG1 no hydrogen 3.352 N/A THR 44.A N ARG 41.A O no hydrogen 3.113 N/A THR 44.A OG1 ASN 28.A OD1 no hydrogen 2.628 N/A ASP 47.A N GLY 43.A O no hydrogen 3.329 N/A ARG 48.A N THR 44.A O no hydrogen 2.874 N/A ARG 48.A NE ASP 49.A OD1 no hydrogen 2.955 N/A ARG 48.A NH1 ASN 66.A OD1 no hydrogen 2.932 N/A ARG 48.A NH2 ASP 49.A OD1 no hydrogen 3.067 N/A ASP 49.A N CYS 45.A O no hydrogen 3.018 N/A ASN 50.A N ALA 46.A O no hydrogen 2.912 N/A LEU 51.A N ASP 47.A O no hydrogen 2.950 N/A THR 52.A N ARG 48.A O no hydrogen 2.902 N/A THR 52.A OG1 ARG 48.A O no hydrogen 2.767 N/A ARG 53.A N ASP 49.A O no hydrogen 3.070 N/A ARG 54.A N ASN 50.A O no hydrogen 3.085 N/A ARG 54.A NE CYS 199.A O no hydrogen 3.093 N/A PHE 55.A N LEU 51.A O no hydrogen 2.896 N/A SER 56.A N THR 52.A O no hydrogen 2.957 N/A SER 56.A OG THR 52.A O no hydrogen 2.694 N/A ASP 57.A N ARG 53.A O no hydrogen 3.018 N/A LEU 58.A N ARG 54.A O no hydrogen 3.255 N/A LEU 58.A N PHE 55.A O no hydrogen 3.126 N/A GLY 59.A N SER 56.A O no hydrogen 2.968 N/A PHE 60.A N PHE 55.A O no hydrogen 3.057 N/A GLU 61.A N GLY 22.A O no hydrogen 2.929 N/A LYS 63.A N ALA 24.A O no hydrogen 2.945 N/A CYS 64.A SG THR 52.A OG1 no hydrogen 3.293 N/A PHE 65.A N ILE 26.A O no hydrogen 2.860 N/A ASP 67.A N ASN 28.A O no hydrogen 2.783 N/A LYS 69.A N GLU 72.A OE2 no hydrogen 2.932 N/A ALA 70.A N ASP 108.A OD1 no hydrogen 2.776 N/A LEU 73.A N LYS 69.A O no hydrogen 2.888 N/A LEU 74.A N ALA 70.A O no hydrogen 2.920 N/A LEU 75.A N GLU 71.A O no hydrogen 2.942 N/A LYS 76.A N GLU 72.A O no hydrogen 2.959 N/A LYS 76.A NZ GLU 79.A OE2 no hydrogen 3.083 N/A ILE 77.A N LEU 73.A O no hydrogen 2.942 N/A HIS 78.A N LEU 74.A O no hydrogen 2.868 N/A GLU 79.A N LEU 75.A O no hydrogen 2.856 N/A VAL 80.A N LYS 76.A O no hydrogen 3.164 N/A SER 81.A N ILE 77.A O no hydrogen 2.953 N/A SER 81.A OG HIS 78.A O no hydrogen 2.849 N/A THR 82.A N GLU 79.A O no hydrogen 3.279 N/A THR 82.A OG1 HIS 78.A O no hydrogen 3.093 N/A THR 82.A OG1 GLU 79.A O no hydrogen 2.995 N/A HIS 85.A N SER 127.A OG no hydrogen 2.677 N/A HIS 85.A NE2 VAL 80.A O no hydrogen 2.799 N/A ALA 86.A N SER 84.A OG no hydrogen 3.169 N/A ALA 88.A N HIS 85.A O no hydrogen 2.947 N/A ASP 89.A N ARG 20.A O no hydrogen 2.950 N/A CYS 90.A N ARG 21.A O no hydrogen 3.006 N/A CYS 90.A SG ARG 21.A O no hydrogen 3.653 N/A PHE 91.A N PRO 132.A O no hydrogen 3.100 N/A VAL 92.A N ILE 23.A O no hydrogen 3.034 N/A CYS 93.A N ILE 134.A O no hydrogen 2.840 N/A VAL 94.A N LEU 25.A O no hydrogen 2.775 N/A PHE 95.A N ILE 136.A O no hydrogen 2.857 N/A LEU 96.A N PHE 27.A O no hydrogen 2.887 N/A SER 97.A N GLN 138.A O no hydrogen 3.012 N/A SER 97.A OG HIS 98.A O no hydrogen 3.514 N/A SER 97.A OG TYR 105.A O no hydrogen 2.628 N/A HIS 98.A NE2 PRO 39.A O no hydrogen 2.955 N/A GLY 99.A N ALA 140.A O no hydrogen 2.882 N/A GLU 100.A N HIS 103.A O no hydrogen 2.977 N/A GLY 101.A N SER 162.A O no hydrogen 2.791 N/A ASN 102.A ND2 GLU 112.A OE1 no hydrogen 2.844 N/A ASN 102.A ND2 GLN 114.A OE1 no hydrogen 2.898 N/A HIS 103.A N GLU 100.A O no hydrogen 2.871 N/A HIS 103.A ND1 GLU 100.A O no hydrogen 3.181 N/A ILE 104.A N ILE 111.A O no hydrogen 2.964 N/A TYR 105.A N HIS 98.A O no hydrogen 2.945 N/A ALA 106.A N ALA 109.A O no hydrogen 2.891 N/A TYR 107.A N LEU 68.A O no hydrogen 2.975 N/A ILE 111.A N ILE 104.A O no hydrogen 2.857 N/A ILE 113.A N ASN 102.A O no hydrogen 2.766 N/A GLN 114.A N GLN 114.A OE1 no hydrogen 2.811 N/A THR 115.A N GLU 112.A O no hydrogen 2.997 N/A THR 117.A N ILE 113.A O no hydrogen 2.926 N/A THR 117.A OG1 ILE 113.A O no hydrogen 3.519 N/A THR 117.A OG1 GLN 114.A O no hydrogen 3.411 N/A GLY 118.A N GLN 114.A O no hydrogen 2.878 N/A LEU 119.A N LEU 116.A O no hydrogen 3.320 N/A PHE 120.A N THR 117.A O no hydrogen 3.045 N/A LYS 121.A N GLY 118.A O no hydrogen 3.396 N/A LYS 124.A N LYS 121.A O no hydrogen 2.862 N/A CYS 125.A N GLY 122.A O no hydrogen 2.976 N/A CYS 125.A SG SER 81.A O no hydrogen 3.525 N/A LEU 128.A N CYS 125.A O no hydrogen 3.062 N/A VAL 129.A N HIS 126.A O no hydrogen 3.009 N/A LYS 131.A N LEU 128.A O no hydrogen 2.963 N/A LYS 131.A NZ HIS 85.A O no hydrogen 2.880 N/A LYS 131.A NZ ALA 86.A O no hydrogen 3.435 N/A LYS 131.A NZ ALA 88.A O no hydrogen 2.926 N/A LYS 131.A NZ SER 127.A O no hydrogen 3.045 N/A LYS 133.A N ASP 171.A O no hydrogen 2.832 N/A LYS 133.A NZ LEU 128.A O no hydrogen 2.770 N/A LYS 133.A NZ LYS 131.A O no hydrogen 2.903 N/A ILE 134.A N PHE 91.A O no hydrogen 2.896 N/A PHE 135.A N LEU 173.A O no hydrogen 2.930 N/A ILE 136.A N CYS 93.A O no hydrogen 2.880 N/A ILE 137.A N CYS 175.A O no hydrogen 2.758 N/A GLN 138.A N PHE 95.A O no hydrogen 2.884 N/A GLN 138.A NE2 SER 184.A OG no hydrogen 2.873 N/A ARG 141.A N ALA 160.A O no hydrogen 2.985 N/A ARG 141.A NE GLU 100.A OE2 no hydrogen 3.013 N/A ARG 141.A NH2 GLU 100.A OE1 no hydrogen 2.453 N/A ARG 141.A NH2 GLU 100.A OE2 no hydrogen 3.461 N/A ASN 143.A ND2 VAL 158.A O no hydrogen 3.193 N/A GLN 144.A NE2 THR 37.A O no hydrogen 2.856 N/A ASN 154.A ND2 GLU 187.A OE1 no hydrogen 2.798 N/A ILE 155.A N THR 188.A OG1 no hydrogen 2.943 N/A GLU 157.A N ARG 186.A O no hydrogen 2.855 N/A ASP 159.A N SER 184.A O no hydrogen 2.868 N/A ALA 161.A N TYR 182.A O no hydrogen 2.955 N/A SER 162.A OG GLY 99.A O no hydrogen 2.685 N/A TYR 164.A N GLY 101.A O no hydrogen 2.872 N/A LEU 166.A N TYR 164.A O no hydrogen 2.835 N/A ASP 171.A N MET 247.A O no hydrogen 2.902 N/A PHE 172.A N GLY 169.A O no hydrogen 3.156 N/A LEU 173.A N LYS 133.A O no hydrogen 2.904 N/A MET 174.A N ALA 245.A O no hydrogen 2.951 N/A CYS 175.A N PHE 135.A O no hydrogen 2.752 N/A CYS 175.A SG PHE 135.A O no hydrogen 3.674 N/A CYS 175.A SG LEU 173.A O no hydrogen 4.015 N/A TYR 176.A N CYS 243.A O no hydrogen 2.861 N/A TYR 176.A OH LEU 166.A O no hydrogen 2.649 N/A SER 177.A N ILE 137.A O no hydrogen 3.102 N/A ALA 179.A N VAL 241.A O no hydrogen 2.761 N/A TYR 182.A N ALA 179.A O no hydrogen 3.085 N/A TYR 183.A N LYS 239.A O no hydrogen 2.961 N/A SER 184.A N ASP 159.A O no hydrogen 2.750 N/A HIS 185.A N GLN 240.A OE1 no hydrogen 2.836 N/A HIS 185.A ND1 GLN 240.A OE1 no hydrogen 2.880 N/A ARG 186.A N GLU 157.A O no hydrogen 2.976 N/A ARG 186.A NH2 ARG 42.A O no hydrogen 2.916 N/A ARG 186.A NH2 GLU 157.A OE2 no hydrogen 2.947 N/A GLU 187.A N GLY 191.A O no hydrogen 2.835 N/A THR 188.A N ILE 155.A O no hydrogen 2.837 N/A THR 188.A OG1 THR 153.A O no hydrogen 2.874 N/A THR 188.A OG1 ILE 155.A O no hydrogen 3.533 N/A VAL 189.A N ASN 154.A OD1 no hydrogen 2.971 N/A ASN 190.A N ASN 154.A OD1 no hydrogen 3.296 N/A ASN 190.A ND2 GLU 187.A OE1 no hydrogen 2.983 N/A GLY 191.A N GLU 187.A O no hydrogen 2.852 N/A SER 192.A N ASP 47.A OD1 no hydrogen 2.811 N/A SER 192.A N ASP 47.A OD2 no hydrogen 3.190 N/A SER 192.A OG ASP 47.A OD2 no hydrogen 2.517 N/A TRP 193.A N HIS 185.A O no hydrogen 2.992 N/A GLN 196.A N SER 192.A O no hydrogen 2.813 N/A GLN 196.A NE2 GLU 187.A OE2 no hydrogen 3.004 N/A GLN 196.A NE2 GLY 191.A O no hydrogen 2.979 N/A GLN 196.A NE2 SER 192.A O no hydrogen 3.653 N/A ASP 197.A N TRP 193.A O no hydrogen 2.955 N/A LEU 198.A N TYR 194.A O no hydrogen 2.783 N/A CYS 199.A N ILE 195.A O no hydrogen 2.805 N/A CYS 199.A SG ILE 195.A O no hydrogen 3.363 N/A GLU 200.A N GLN 196.A O no hydrogen 2.917 N/A MET 201.A N ASP 197.A O no hydrogen 3.042 N/A LEU 202.A N LEU 198.A O no hydrogen 2.832 N/A GLY 203.A N CYS 199.A O no hydrogen 3.053 N/A LYS 204.A N GLU 200.A O no hydrogen 3.045 N/A LYS 204.A NZ GLU 200.A OE2 no hydrogen 2.676 N/A TYR 205.A N MET 201.A O no hydrogen 2.773 N/A GLY 206.A N LEU 202.A O no hydrogen 2.785 N/A SER 208.A N TYR 205.A O no hydrogen 3.024 N/A LEU 209.A N TYR 205.A O no hydrogen 2.845 N/A PHE 211.A N LEU 252.A O no hydrogen 2.821 N/A THR 212.A N GLU 210.A OE1 no hydrogen 2.872 N/A THR 212.A OG1 GLU 210.A OE1 no hydrogen 2.603 N/A GLU 213.A N GLU 210.A OE1 no hydrogen 3.252 N/A LEU 214.A N GLU 210.A O no hydrogen 2.988 N/A LEU 215.A N PHE 211.A O no hydrogen 2.895 N/A THR 216.A N THR 212.A O no hydrogen 2.923 N/A THR 216.A OG1 THR 212.A O no hydrogen 2.897 N/A LEU 217.A N GLU 213.A O no hydrogen 3.124 N/A VAL 218.A N LEU 214.A O no hydrogen 3.061 N/A ASN 219.A N LEU 215.A O no hydrogen 2.926 N/A ARG 220.A N THR 216.A O no hydrogen 3.041 N/A LYS 221.A N LEU 217.A O no hydrogen 2.853 N/A VAL 222.A N VAL 218.A O no hydrogen 2.923 N/A SER 223.A N ASN 219.A O no hydrogen 2.984 N/A SER 223.A OG ASN 219.A O no hydrogen 2.825 N/A SER 223.A OG ARG 220.A O no hydrogen 3.355 N/A GLN 224.A N ARG 220.A O no hydrogen 3.150 N/A ARG 225.A N VAL 222.A O no hydrogen 2.987 N/A ARG 225.A NE ASP 197.A OD1 no hydrogen 3.405 N/A ARG 225.A NE ASP 197.A OD2 no hydrogen 2.796 N/A ARG 225.A NH2 ASP 197.A OD1 no hydrogen 2.906 N/A ASP 232.A N ASP 228.A O no hydrogen 3.509 N/A ALA 235.A N ASP 232.A O no hydrogen 3.205 N/A ILE 236.A N PRO 233.A O no hydrogen 3.022 N/A LYS 238.A N ALA 235.A O no hydrogen 3.216 N/A GLN 240.A NE2 SER 177.A O no hydrogen 2.905 N/A CYS 243.A N TYR 176.A O no hydrogen 3.121 N/A ALA 245.A N MET 174.A O no hydrogen 2.785 N/A MET 247.A N PHE 172.A O no hydrogen 2.979 N/A LEU 248.A N SER 246.A OG no hydrogen 3.082 N/A THR 249.A N TYR 14.A OH no hydrogen 2.951 N/A THR 249.A OG1 ASP 171.A OD1 no hydrogen 2.745 N/A LYS 251.A N GLU 12.A O no hydrogen 3.016 N/A LEU 252.A N GLU 210.A OE2 no hydrogen 2.827 N/A HIS 253.A ND1 SER 208.A O no hydrogen 2.902 N/A LYS 257.A NZ MET 16.A O no hydrogen 2.929 N/A LYS 257.A NZ HIS 18.A O no hydrogen 2.828 N/A LYS 257.A NZ ASP 89.A OD1 no hydrogen 3.421 N/A LYS 257.A NZ ASP 89.A OD2 no hydrogen 2.707 N/A