Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5n52_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N LEU 2.A O no hydrogen 3.385 N/A GLN 7.A N ILE 19.A O no hydrogen 3.001 N/A GLY 9.A N SER 17.A O no hydrogen 2.575 N/A LEU 12.A N VAL 15.A O no hydrogen 2.659 N/A GLY 13.A N VAL 15.A O no hydrogen 3.426 N/A VAL 15.A N GLY 13.A O no hydrogen 2.850 N/A TYR 16.A N ILE 29.A O no hydrogen 2.737 N/A SER 17.A N PRO 10.A O no hydrogen 2.838 N/A GLY 18.A N VAL 27.A O no hydrogen 2.939 N/A ILE 19.A N GLN 7.A O no hydrogen 3.138 N/A ARG 20.A N LEU 25.A O no hydrogen 2.843 N/A ARG 20.A NE ASP 23.A OD1 no hydrogen 2.973 N/A ARG 20.A NH1 ASP 23.A OD1 no hydrogen 3.472 N/A ARG 20.A NH1 ASP 23.A OD2 no hydrogen 3.015 N/A VAL 21.A N GLN 5.A O no hydrogen 2.749 N/A ASP 23.A N ARG 20.A O no hydrogen 3.319 N/A VAL 27.A N GLY 18.A O no hydrogen 2.892 N/A ALA 28.A N LEU 83.A O no hydrogen 2.666 N/A ILE 29.A N TYR 16.A O no hydrogen 2.725 N/A LYS 30.A N LEU 81.A O no hydrogen 2.839 N/A LYS 30.A NZ GLU 52.A OE2 no hydrogen 2.800 N/A LYS 30.A NZ ASP 149.A OD2 no hydrogen 3.321 N/A HIS 31.A N SER 14.A O no hydrogen 2.944 N/A VAL 32.A N PHE 79.A O no hydrogen 2.858 N/A LYS 34.A N ASP 77.A O no hydrogen 2.689 N/A LYS 34.A NZ GLU 74.A OE2 no hydrogen 2.654 N/A LYS 34.A NZ ARG 75.A O no hydrogen 2.996 N/A LYS 34.A NZ PRO 76.A O no hydrogen 3.088 N/A ARG 36.A N GLU 33.A O no hydrogen 3.100 N/A ILE 37.A N LYS 34.A O no hydrogen 3.068 N/A GLY 41.A N VAL 49.A O no hydrogen 2.670 N/A LEU 43.A N THR 47.A O no hydrogen 3.055 N/A GLY 46.A N LEU 43.A O no hydrogen 3.149 N/A VAL 49.A N GLY 41.A O no hydrogen 2.845 N/A MET 51.A N ASP 39.A O no hydrogen 3.121 N/A VAL 53.A N PRO 50.A O no hydrogen 2.935 N/A VAL 54.A N PRO 50.A O no hydrogen 3.372 N/A LEU 55.A N MET 51.A O no hydrogen 2.784 N/A LEU 56.A N GLU 52.A O no hydrogen 2.881 N/A LYS 57.A N VAL 53.A O no hydrogen 2.920 N/A LYS 58.A N VAL 54.A O no hydrogen 3.062 N/A VAL 59.A N LEU 55.A O no hydrogen 3.117 N/A SER 60.A N LYS 57.A O no hydrogen 3.320 N/A ILE 67.A N LEU 147.A O no hydrogen 2.980 N/A ARG 68.A N GLU 84.A OE1 no hydrogen 2.965 N/A LEU 70.A N ILE 82.A O no hydrogen 2.692 N/A TRP 72.A N ASP 71.A OD1 no hydrogen 2.854 N/A PHE 73.A N VAL 80.A O no hydrogen 2.875 N/A ARG 75.A N SER 78.A O no hydrogen 2.849 N/A PHE 79.A N VAL 32.A O no hydrogen 2.840 N/A VAL 80.A N PHE 73.A O no hydrogen 2.927 N/A LEU 81.A N LYS 30.A O no hydrogen 2.752 N/A ILE 82.A N ASP 71.A O no hydrogen 2.856 N/A LEU 83.A N ALA 28.A O no hydrogen 2.771 N/A GLU 84.A N ARG 68.A O no hydrogen 3.090 N/A ARG 85.A N PRO 26.A O no hydrogen 3.280 N/A ARG 85.A NE VAL 27.A O no hydrogen 2.934 N/A ARG 85.A NH2 GLY 18.A O no hydrogen 2.828 N/A GLN 90.A N ILE 138.A O no hydrogen 3.182 N/A LEU 92.A N ILE 136.A O no hydrogen 2.720 N/A PHE 93.A N ASP 133.A O no hydrogen 3.284 N/A ASP 94.A N ASP 91.A OD2 no hydrogen 2.675 N/A PHE 95.A N ASP 91.A O no hydrogen 3.107 N/A ILE 96.A N LEU 92.A O no hydrogen 2.940 N/A THR 97.A N PHE 93.A O no hydrogen 2.953 N/A THR 97.A OG1 PHE 93.A O no hydrogen 3.011 N/A GLU 98.A N ASP 94.A O no hydrogen 2.943 N/A ARG 99.A N PHE 95.A O no hydrogen 2.921 N/A ARG 99.A NH1 HIS 266.A O no hydrogen 2.688 N/A ARG 99.A NH2 HIS 266.A O no hydrogen 2.972 N/A GLY 100.A N ILE 96.A O no hydrogen 2.846 N/A LEU 102.A N MET 198.A O no hydrogen 2.737 N/A ALA 107.A N GLN 103.A O no hydrogen 2.974 N/A ARG 108.A N GLU 104.A O no hydrogen 2.789 N/A ARG 108.A NE TRP 252.A O no hydrogen 2.690 N/A ARG 108.A NH1 TRP 252.A O no hydrogen 3.295 N/A SER 109.A N GLU 105.A O no hydrogen 3.205 N/A SER 109.A OG THR 262.A OG1 no hydrogen 2.669 N/A PHE 110.A N LEU 106.A O no hydrogen 2.915 N/A PHE 111.A N ALA 107.A O no hydrogen 2.721 N/A TRP 112.A N ARG 108.A O no hydrogen 2.828 N/A GLN 113.A N SER 109.A O no hydrogen 3.029 N/A GLN 113.A NE2 GLY 143.A O no hydrogen 2.989 N/A VAL 114.A N PHE 110.A O no hydrogen 2.920 N/A LEU 115.A N PHE 111.A O no hydrogen 2.859 N/A GLU 116.A N TRP 112.A O no hydrogen 2.949 N/A ALA 117.A N GLN 113.A O no hydrogen 3.031 N/A VAL 118.A N VAL 114.A O no hydrogen 2.849 N/A ARG 119.A N LEU 115.A O no hydrogen 2.855 N/A ARG 119.A NH2 GLN 248.A OE1 no hydrogen 2.898 N/A HIS 120.A N GLU 116.A O no hydrogen 2.959 N/A HIS 120.A NE2 VAL 59.A O no hydrogen 3.004 N/A CYS 121.A N ALA 117.A O no hydrogen 3.004 N/A CYS 121.A SG ALA 117.A O no hydrogen 3.501 N/A HIS 122.A N VAL 118.A O no hydrogen 2.943 N/A ASN 123.A N ARG 119.A O no hydrogen 2.786 N/A CYS 124.A N HIS 120.A O no hydrogen 3.089 N/A CYS 124.A SG LYS 58.A O no hydrogen 3.432 N/A CYS 124.A SG HIS 120.A O no hydrogen 3.368 N/A GLY 125.A N HIS 122.A O no hydrogen 2.913 N/A VAL 126.A N CYS 121.A O no hydrogen 2.855 N/A LEU 127.A N ALA 154.A O no hydrogen 2.805 N/A HIS 128.A NE2 ILE 148.A O no hydrogen 2.831 N/A ARG 129.A NE SER 152.A O no hydrogen 2.840 N/A ARG 129.A NH1 SER 152.A O no hydrogen 3.186 N/A ARG 129.A NH1 GLY 153.A O no hydrogen 3.268 N/A ARG 129.A NH1 ASP 163.A OD2 no hydrogen 3.403 N/A ARG 129.A NH2 ASP 163.A OD2 no hydrogen 3.186 N/A ARG 129.A NH2 TYR 181.A OH no hydrogen 2.990 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 2.915 N/A LYS 132.A NZ GLU 134.A OE1 no hydrogen 3.061 N/A LYS 132.A NZ THR 167.A OG1 no hydrogen 2.694 N/A ASP 133.A N TYR 170.A OH no hydrogen 3.525 N/A ASN 135.A N LYS 132.A O no hydrogen 2.956 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.926 N/A ASN 135.A ND2 ASP 130.A OD1 no hydrogen 2.957 N/A ILE 136.A N ASP 133.A O no hydrogen 3.232 N/A LEU 137.A N LYS 146.A O no hydrogen 2.759 N/A ILE 138.A N GLN 90.A O no hydrogen 2.839 N/A ASP 139.A N GLU 144.A O no hydrogen 2.837 N/A LEU 140.A N PRO 88.A O no hydrogen 3.181 N/A ASN 141.A N ASP 139.A OD2 no hydrogen 2.971 N/A ARG 142.A N ASP 139.A OD2 no hydrogen 2.903 N/A ARG 142.A NE GLU 144.A OE1 no hydrogen 3.405 N/A ARG 142.A NE GLU 144.A OE2 no hydrogen 3.260 N/A ARG 142.A NH2 GLU 144.A OE2 no hydrogen 3.022 N/A GLY 143.A N ASP 139.A O no hydrogen 2.789 N/A LEU 145.A N GLN 113.A OE1 no hydrogen 2.792 N/A LYS 146.A N LEU 137.A O no hydrogen 2.787 N/A LYS 146.A NZ SER 64.A O no hydrogen 2.557 N/A LEU 147.A N GLY 65.A O no hydrogen 2.711 N/A ILE 148.A N ASN 135.A O no hydrogen 2.880 N/A GLY 151.A N ASP 149.A OD2 no hydrogen 3.060 N/A SER 152.A OG ASP 165.A O no hydrogen 3.347 N/A GLY 153.A N PHE 150.A O no hydrogen 3.007 N/A ALA 154.A N LEU 127.A O no hydrogen 2.882 N/A LEU 156.A N GLY 125.A O no hydrogen 2.765 N/A LYS 157.A N TYR 161.A OH no hydrogen 3.004 N/A LYS 157.A NZ VAL 160.A O no hydrogen 3.301 N/A TYR 161.A N TYR 181.A O no hydrogen 2.778 N/A TYR 161.A OH LEU 155.A O no hydrogen 2.666 N/A THR 167.A N ASP 130.A OD2 no hydrogen 3.100 N/A THR 167.A OG1 ASP 130.A OD2 no hydrogen 2.660 N/A ARG 168.A NE ASP 208.A OD2 no hydrogen 2.967 N/A ARG 168.A NH2 ASP 208.A OD1 no hydrogen 2.984 N/A ARG 168.A NH2 ASP 208.A OD2 no hydrogen 3.456 N/A TYR 170.A N THR 167.A O no hydrogen 3.159 N/A SER 171.A N ARG 168.A O no hydrogen 2.874 N/A SER 171.A OG ARG 168.A O no hydrogen 2.702 N/A GLU 174.A N GLU 174.A OE2 no hydrogen 2.590 N/A TRP 175.A N PRO 172.A O no hydrogen 3.082 N/A ILE 176.A N PRO 172.A O no hydrogen 3.185 N/A ARG 177.A N PRO 173.A O no hydrogen 2.809 N/A TYR 178.A N GLU 174.A O no hydrogen 2.981 N/A HIS 179.A N.A TRP 175.A O no hydrogen 2.937 N/A HIS 179.A N.B TRP 175.A O no hydrogen 2.962 N/A TYR 181.A N TYR 161.A O no hydrogen 3.074 N/A TYR 181.A OH ASP 163.A O no hydrogen 2.678 N/A ARG 184.A NH1 ASP 158.A OD2 no hydrogen 2.671 N/A ARG 184.A NH2 ASP 158.A OD2 no hydrogen 3.149 N/A SER 185.A OG HIS 182.A O no hydrogen 3.501 N/A ALA 186.A N HIS 182.A O no hydrogen 3.005 N/A ALA 187.A N GLY 183.A O no hydrogen 2.888 N/A VAL 188.A N ARG 184.A O no hydrogen 2.918 N/A TRP 189.A N SER 185.A O no hydrogen 3.122 N/A SER 190.A N ALA 186.A O no hydrogen 3.133 N/A SER 190.A OG ALA 187.A O no hydrogen 2.745 N/A LEU 191.A N ALA 187.A O no hydrogen 2.935 N/A GLY 192.A N VAL 188.A O no hydrogen 2.932 N/A ILE 193.A N TRP 189.A O no hydrogen 3.023 N/A LEU 194.A N SER 190.A O no hydrogen 2.894 N/A LEU 195.A N LEU 191.A O no hydrogen 2.808 N/A TYR 196.A N GLY 192.A O no hydrogen 3.031 N/A TYR 196.A OH PHE 217.A O no hydrogen 2.526 N/A ASP 197.A N ILE 193.A O no hydrogen 2.924 N/A MET 198.A N LEU 194.A O no hydrogen 2.996 N/A VAL 199.A N LEU 195.A O no hydrogen 3.050 N/A CYS 200.A N TYR 196.A O no hydrogen 2.773 N/A GLY 201.A N ASP 197.A O no hydrogen 2.908 N/A ILE 203.A N ASP 202.A OD1 no hydrogen 2.756 N/A GLU 206.A N GLU 210.A OE1 no hydrogen 2.788 N/A HIS 207.A N GLU 210.A OE1 no hydrogen 3.145 N/A ILE 211.A N HIS 207.A O no hydrogen 3.089 N/A ILE 212.A N ASP 208.A O no hydrogen 2.914 N/A GLY 213.A N GLU 210.A O no hydrogen 3.233 N/A ARG 219.A NE TYR 196.A OH no hydrogen 3.078 N/A SER 223.A N GLU 104.A OE1 no hydrogen 2.708 N/A SER 223.A OG GLU 104.A OE1 no hydrogen 3.410 N/A SER 223.A OG GLU 104.A OE2 no hydrogen 2.692 N/A GLU 225.A N GLU 225.A OE2 no hydrogen 2.700 N/A CYS 226.A N SER 223.A OG no hydrogen 3.176 N/A GLN 227.A N SER 223.A O no hydrogen 2.871 N/A GLN 227.A NE2 VAL 222.A O no hydrogen 3.482 N/A HIS 228.A N SER 224.A O no hydrogen 2.881 N/A HIS 228.A ND1 HIS 250.A NE2 no hydrogen 2.712 N/A LEU 229.A N GLU 225.A O no hydrogen 3.062 N/A ILE 230.A N CYS 226.A O no hydrogen 2.967 N/A ARG 231.A N GLN 227.A O no hydrogen 2.856 N/A ARG 231.A NH1 VAL 216.A O no hydrogen 2.759 N/A ARG 231.A NH2 GLN 227.A OE1 no hydrogen 2.717 N/A TRP 232.A N HIS 228.A O no hydrogen 2.849 N/A CYS 233.A N LEU 229.A O no hydrogen 2.876 N/A CYS 233.A SG LEU 229.A O no hydrogen 3.515 N/A LEU 234.A N ILE 230.A O no hydrogen 2.951 N/A ALA 235.A N TRP 232.A O no hydrogen 3.106 N/A ASP 240.A N ARG 237.A O no hydrogen 3.060 N/A ARG 241.A N PRO 238.A O no hydrogen 3.062 N/A ARG 241.A NE ALA 235.A O no hydrogen 2.775 N/A ARG 241.A NH1 GLU 174.A OE1 no hydrogen 3.322 N/A ARG 241.A NH1 GLU 174.A OE2 no hydrogen 2.684 N/A ARG 241.A NH1 ALA 235.A O no hydrogen 3.282 N/A ARG 241.A NH1 LEU 236.A O no hydrogen 3.218 N/A ARG 241.A NH2 GLU 174.A OE1 no hydrogen 2.788 N/A ARG 241.A NH2 SER 185.A O no hydrogen 2.912 N/A THR 243.A N GLU 246.A OE2 no hydrogen 2.902 N/A THR 243.A OG1 GLU 246.A OE2 no hydrogen 3.346 N/A GLU 246.A N THR 243.A OG1 no hydrogen 3.092 N/A ILE 247.A N THR 243.A O no hydrogen 2.910 N/A GLN 248.A N PHE 244.A O no hydrogen 2.983 N/A GLN 248.A NE2 GLU 116.A OE1 no hydrogen 2.882 N/A ASN 249.A N GLU 245.A O no hydrogen 2.819 N/A HIS 250.A N ILE 247.A O no hydrogen 3.013 N/A HIS 250.A NE2 HIS 228.A ND1 no hydrogen 2.712 N/A TRP 252.A N HIS 250.A ND1 no hydrogen 3.004 N/A TRP 252.A NE1 GLU 104.A OE2 no hydrogen 2.802 N/A MET 253.A N HIS 250.A O no hydrogen 2.886 N/A GLN 254.A N PRO 251.A O no hydrogen 3.370 N/A GLN 254.A NE2 GLN 248.A O no hydrogen 3.077 N/A GLN 254.A NE2 HIS 250.A O no hydrogen 2.993 N/A LEU 258.A N GLU 261.A OE1 no hydrogen 2.842 N/A THR 262.A N LEU 258.A O no hydrogen 2.878 N/A THR 262.A OG1 SER 109.A OG no hydrogen 2.669 N/A THR 262.A OG1 LEU 258.A O no hydrogen 2.796 N/A ALA 263.A N PRO 259.A O no hydrogen 2.901 N/A GLU 264.A N GLN 260.A O no hydrogen 2.894 N/A ILE 265.A N GLU 261.A O no hydrogen 2.854 N/A HIS 266.A N THR 262.A O no hydrogen 2.980 N/A HIS 266.A NE2 GLU 105.A OE1 no hydrogen 2.826 N/A LEU 267.A N ALA 263.A O no hydrogen 2.826 N/A HIS 268.A N ALA 263.A O no hydrogen 2.788 N/A HIS 268.A NE2 ASN 141.A O no hydrogen 2.985 N/A