Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4itj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ VAL 2.A O no hydrogen 3.421 N/A MET 5.A N VAL 66.A O no hydrogen 2.717 N/A LYS 6.A N ASP 9.A OD1 no hydrogen 3.097 N/A SER 7.A N GLU 69.A OE2 no hydrogen 2.829 N/A SER 7.A OG GLU 69.A OE1 no hydrogen 2.452 N/A SER 7.A OG GLU 69.A OE2 no hydrogen 3.206 N/A ASP 9.A N LYS 6.A O no hydrogen 2.959 N/A PHE 10.A N SER 7.A O no hydrogen 3.253 N/A LEU 11.A N PHE 20.A O no hydrogen 2.679 N/A LYS 15.A N THR 31.A O no hydrogen 2.855 N/A SER 17.A N MET 29.A O no hydrogen 2.876 N/A ALA 19.A N MET 27.A O no hydrogen 2.912 N/A PHE 20.A N GLU 12.A O no hydrogen 2.908 N/A HIS 21.A N GLY 25.A O no hydrogen 2.815 N/A ARG 22.A N ASP 9.A O no hydrogen 2.847 N/A THR 23.A N HIS 21.A ND1 no hydrogen 2.985 N/A GLN 24.A N HIS 21.A ND1 no hydrogen 2.968 N/A GLY 25.A N HIS 21.A O no hydrogen 2.987 N/A MET 27.A N ALA 19.A O no hydrogen 2.913 N/A ILE 28.A N MET 77.A O no hydrogen 2.892 N/A MET 29.A N SER 17.A O no hydrogen 2.859 N/A LYS 30.A N LEU 75.A O no hydrogen 2.820 N/A LYS 30.A NZ PHE 13.A O no hydrogen 2.756 N/A LYS 30.A NZ LEU 142.A O no hydrogen 2.750 N/A THR 31.A N LYS 15.A O no hydrogen 2.889 N/A THR 31.A OG1 SER 74.A OG no hydrogen 2.829 N/A VAL 32.A N TYR 73.A O no hydrogen 2.906 N/A TYR 33.A N TYR 73.A O no hydrogen 3.435 N/A TYR 33.A OH PRO 36.A O no hydrogen 2.718 N/A GLY 35.A N GLY 71.A O no hydrogen 3.036 N/A CYS 38.A SG PRO 36.A O no hydrogen 3.820 N/A CYS 38.A SG TYR 73.A OH no hydrogen 3.851 N/A HIS 41.A N CYS 38.A O no hydrogen 3.222 N/A ASN 42.A N ILE 39.A O no hydrogen 2.915 N/A LEU 45.A N HIS 41.A O no hydrogen 3.278 N/A LEU 46.A N ASN 42.A O no hydrogen 2.892 N/A GLU 47.A N GLU 43.A O no hydrogen 2.883 N/A GLU 48.A N ALA 44.A O no hydrogen 2.740 N/A ALA 49.A N LEU 45.A O no hydrogen 2.887 N/A LYS 50.A N LEU 46.A O no hydrogen 2.990 N/A LYS 50.A NZ ASN 1.A OD1 no hydrogen 3.345 N/A MET 51.A N GLU 47.A O no hydrogen 2.963 N/A MET 52.A N GLU 48.A O no hydrogen 2.868 N/A ASN 53.A N ALA 49.A O no hydrogen 2.723 N/A ASN 53.A N LYS 50.A O no hydrogen 2.958 N/A ARG 54.A N MET 51.A O no hydrogen 2.971 N/A LEU 55.A N MET 52.A O no hydrogen 3.375 N/A ARG 56.A N TYR 113.A OH no hydrogen 2.926 N/A ARG 56.A NE ASN 53.A O no hydrogen 3.451 N/A ARG 56.A NH2 ASN 53.A OD1 no hydrogen 2.892 N/A ARG 59.A N HIS 57.A ND1 no hydrogen 3.050 N/A ARG 59.A NE GLU 109.A OE1 no hydrogen 2.845 N/A ARG 59.A NH2 GLU 109.A OE1 no hydrogen 3.566 N/A VAL 60.A N HIS 57.A O no hydrogen 3.294 N/A VAL 61.A N ILE 139.A O no hydrogen 3.072 N/A LYS 62.A N GLU 78.A OE2 no hydrogen 2.801 N/A LEU 64.A N VAL 76.A O no hydrogen 2.570 N/A GLY 65.A N VAL 76.A O no hydrogen 3.025 N/A VAL 66.A N ILE 3.A O no hydrogen 3.008 N/A ILE 67.A N SER 74.A O no hydrogen 2.859 N/A GLU 69.A N LYS 72.A O no hydrogen 2.871 N/A LYS 72.A N GLU 69.A O no hydrogen 2.942 N/A LYS 72.A NZ SER 7.A OG no hydrogen 2.978 N/A LYS 72.A NZ SER 74.A OG no hydrogen 3.035 N/A TYR 73.A N TYR 33.A O no hydrogen 3.119 N/A TYR 73.A OH ASN 42.A OD1 no hydrogen 2.362 N/A SER 74.A N ILE 67.A O no hydrogen 2.922 N/A SER 74.A OG THR 31.A OG1 no hydrogen 2.829 N/A LEU 75.A N LYS 30.A O no hydrogen 2.879 N/A VAL 76.A N GLY 65.A O no hydrogen 2.836 N/A MET 77.A N ILE 28.A O no hydrogen 2.886 N/A GLU 78.A N LYS 62.A O no hydrogen 3.148 N/A LYS 82.A N VAL 131.A O no hydrogen 2.909 N/A GLY 83.A N MET 80.A O no hydrogen 3.027 N/A LEU 85.A N ILE 129.A O no hydrogen 2.753 N/A HIS 87.A N ASN 84.A OD1 no hydrogen 2.812 N/A VAL 88.A N ASN 84.A O no hydrogen 3.014 N/A LEU 89.A N LEU 85.A O no hydrogen 2.894 N/A LYS 90.A N MET 86.A O no hydrogen 3.015 N/A LYS 90.A N HIS 87.A O no hydrogen 3.227 N/A LYS 100.A N PRO 96.A O no hydrogen 3.124 N/A LYS 100.A NZ ILE 188.A O no hydrogen 2.706 N/A LYS 100.A NZ ASN 191.A OD1 no hydrogen 2.650 N/A LYS 100.A NZ GLU 221.A OE1 no hydrogen 2.791 N/A LYS 100.A NZ GLU 221.A OE2 no hydrogen 3.515 N/A GLY 101.A N LEU 97.A O no hydrogen 2.876 N/A ARG 102.A N SER 98.A O no hydrogen 2.896 N/A ARG 102.A NH2 ASP 134.A O no hydrogen 3.114 N/A ARG 102.A NH2 PHE 135.A O no hydrogen 2.866 N/A ILE 103.A N VAL 99.A O no hydrogen 2.900 N/A ILE 104.A N LYS 100.A O no hydrogen 2.951 N/A LEU 105.A N GLY 101.A O no hydrogen 2.949 N/A GLU 106.A N ARG 102.A O no hydrogen 2.877 N/A ILE 107.A N ILE 103.A O no hydrogen 2.926 N/A ILE 108.A N ILE 104.A O no hydrogen 2.938 N/A GLU 109.A N LEU 105.A O no hydrogen 2.908 N/A GLY 110.A N GLU 106.A O no hydrogen 2.917 N/A MET 111.A N ILE 107.A O no hydrogen 2.906 N/A ALA 112.A N ILE 108.A O no hydrogen 2.862 N/A TYR 113.A N GLU 109.A O no hydrogen 2.925 N/A LEU 114.A N GLY 110.A O no hydrogen 2.967 N/A HIS 115.A N MET 111.A O no hydrogen 2.884 N/A HIS 115.A NE2 ASP 177.A OD2 no hydrogen 2.790 N/A GLY 116.A N ALA 112.A O no hydrogen 2.894 N/A LYS 117.A N TYR 113.A O no hydrogen 2.993 N/A LYS 117.A N LEU 114.A O no hydrogen 2.952 N/A GLY 118.A N HIS 115.A O no hydrogen 2.947 N/A VAL 119.A N LEU 114.A O no hydrogen 2.943 N/A HIS 121.A N ASP 177.A OD2 no hydrogen 2.790 N/A HIS 121.A NE2 ALA 140.A O no hydrogen 2.839 N/A LYS 122.A N ASP 177.A OD1 no hydrogen 2.838 N/A LYS 122.A NZ ILE 120.A O.A no hydrogen 2.717 N/A LYS 122.A NZ ILE 120.A O.B no hydrogen 2.722 N/A LYS 122.A NZ HIS 121.A O no hydrogen 3.326 N/A LYS 122.A NZ SER 146.A OG no hydrogen 2.912 N/A ASP 123.A N HIS 121.A ND1 no hydrogen 3.056 N/A LYS 125.A NZ ASP 123.A OD1 no hydrogen 2.976 N/A ASN 128.A N LYS 125.A O no hydrogen 2.829 N/A ASN 128.A ND2 ASP 123.A O no hydrogen 2.864 N/A ILE 129.A N PRO 126.A O no hydrogen 3.082 N/A LEU 130.A N LYS 138.A O no hydrogen 2.882 N/A VAL 131.A N GLY 83.A O no hydrogen 2.787 N/A ASP 132.A N HIS 136.A O no hydrogen 2.862 N/A ASP 134.A N ASP 132.A OD2 no hydrogen 2.674 N/A PHE 135.A N ASP 132.A O no hydrogen 3.127 N/A HIS 136.A N ASP 132.A OD2 no hydrogen 2.970 N/A HIS 136.A ND1 GLU 106.A OE2 no hydrogen 2.560 N/A ILE 137.A N GLU 106.A OE1 no hydrogen 2.856 N/A LYS 138.A N LEU 130.A O no hydrogen 2.924 N/A LYS 138.A NZ SER 58.A O no hydrogen 3.052 N/A ILE 139.A N ARG 59.A O no hydrogen 2.812 N/A ALA 140.A N ASN 128.A O no hydrogen 2.801 N/A LEU 142.A N ASN 128.A OD1 no hydrogen 2.949 N/A LEU 144.A N ASP 141.A O no hydrogen 2.945 N/A ALA 145.A N ASP 141.A OD1 no hydrogen 2.804 N/A SER 146.A N ASP 141.A OD2 no hydrogen 2.730 N/A LYS 148.A NZ ALA 145.A O no hydrogen 3.030 N/A MET 149.A N GLU 48.A OE2 no hydrogen 2.809 N/A TRP 150.A N GLU 48.A OE1 no hydrogen 3.130 N/A TRP 150.A NE1 LEU 45.A O no hydrogen 3.158 N/A SER 151.A N PHE 147.A O no hydrogen 2.915 N/A LYS 152.A N LYS 148.A O no hydrogen 2.919 N/A LEU 153.A N MET 149.A O no hydrogen 2.873 N/A ASN 154.A N TRP 150.A O no hydrogen 3.163 N/A TYR 158.A N THR 156.A OG1 no hydrogen 3.247 N/A TYR 159.A OH GLU 193.A OE1 no hydrogen 2.681 N/A MET 160.A N LEU 157.A O no hydrogen 3.272 N/A GLU 163.A N GLU 163.A OE2 no hydrogen 2.791 N/A HIS 164.A N ALA 161.A O no hydrogen 2.920 N/A HIS 164.A NE2 SER 176.A OG no hydrogen 2.705 N/A LEU 165.A N PRO 162.A O no hydrogen 2.982 N/A ASP 167.A N HIS 164.A O no hydrogen 3.414 N/A ASN 169.A N ASP 167.A OD2 no hydrogen 3.228 N/A ALA 170.A N ASP 167.A OD2 no hydrogen 3.308 N/A THR 173.A N SER 176.A OG no hydrogen 2.985 N/A LYS 175.A N THR 173.A OG1 no hydrogen 3.091 N/A LYS 175.A NZ PRO 239.A O no hydrogen 3.049 N/A LYS 175.A NZ ARG 242.A O no hydrogen 2.783 N/A SER 176.A N THR 173.A O no hydrogen 2.973 N/A SER 176.A OG HIS 164.A NE2 no hydrogen 2.705 N/A SER 176.A OG THR 173.A O no hydrogen 3.178 N/A VAL 178.A N GLU 174.A O no hydrogen 3.003 N/A TYR 179.A N LYS 175.A O no hydrogen 2.992 N/A SER 180.A N SER 176.A O no hydrogen 3.102 N/A SER 180.A OG TYR 159.A O no hydrogen 2.638 N/A SER 180.A OG SER 176.A O no hydrogen 3.129 N/A PHE 181.A N ASP 177.A O no hydrogen 2.909 N/A ALA 182.A N VAL 178.A O no hydrogen 2.986 N/A VAL 183.A N TYR 179.A O no hydrogen 3.113 N/A VAL 184.A N SER 180.A O no hydrogen 2.922 N/A LEU 185.A N PHE 181.A O no hydrogen 2.885 N/A TRP 186.A N ALA 182.A O no hydrogen 3.081 N/A TRP 186.A NE1 ASP 215.A O no hydrogen 2.888 N/A ALA 187.A N VAL 183.A O no hydrogen 2.933 N/A ILE 188.A N VAL 184.A O no hydrogen 2.877 N/A PHE 189.A N LEU 185.A O no hydrogen 3.093 N/A ALA 190.A N TRP 186.A O no hydrogen 2.864 N/A ASN 191.A N ALA 187.A O no hydrogen 2.881 N/A ASN 191.A ND2 GLU 221.A OE2 no hydrogen 2.784 N/A LYS 192.A NZ GLU 196.A OE1 no hydrogen 2.491 N/A ALA 198.A N TYR 195.A O no hydrogen 2.942 N/A GLN 203.A N GLN 203.A OE1 no hydrogen 2.850 N/A LEU 204.A N ALA 200.A O no hydrogen 2.854 N/A ILE 205.A N GLU 201.A O no hydrogen 2.855 N/A MET 206.A N GLN 202.A O no hydrogen 2.994 N/A ALA 207.A N GLN 203.A O no hydrogen 2.882 N/A ILE 208.A N LEU 204.A O no hydrogen 2.881 N/A LYS 209.A N ILE 205.A O no hydrogen 2.928 N/A LYS 209.A NZ PRO 162.A O no hydrogen 3.072 N/A LYS 209.A NZ LEU 165.A O no hydrogen 2.906 N/A SER 210.A N MET 206.A O no hydrogen 3.093 N/A SER 210.A N ALA 207.A O no hydrogen 3.072 N/A SER 210.A OG MET 206.A O no hydrogen 3.557 N/A SER 210.A OG ALA 207.A O no hydrogen 2.952 N/A GLY 211.A N ILE 208.A O no hydrogen 2.994 N/A ASN 212.A N ALA 207.A O no hydrogen 2.846 N/A ARG 213.A NE TRP 235.A O no hydrogen 2.824 N/A ARG 213.A NH1 ILE 208.A O no hydrogen 2.971 N/A ARG 213.A NH1 ASN 212.A O no hydrogen 2.807 N/A ARG 213.A NH2 TRP 235.A O no hydrogen 3.011 N/A ASP 217.A N ASP 215.A OD1 no hydrogen 2.870 N/A ASP 218.A N ASP 215.A O no hydrogen 3.062 N/A ILE 219.A N VAL 216.A O no hydrogen 3.329 N/A CYS 223.A SG PRO 224.A O no hydrogen 3.822 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.802 N/A ILE 227.A N PRO 224.A O no hydrogen 2.967 N/A ILE 228.A N PRO 224.A O no hydrogen 3.165 N/A SER 229.A N ARG 225.A O no hydrogen 2.920 N/A SER 229.A OG ARG 225.A O no hydrogen 3.278 N/A LEU 230.A N GLU 226.A O no hydrogen 2.895 N/A MET 231.A N ILE 227.A O no hydrogen 2.865 N/A LYS 232.A N ILE 228.A O no hydrogen 2.998 N/A LEU 233.A N SER 229.A O no hydrogen 2.914 N/A CYS 234.A N LEU 230.A O no hydrogen 2.907 N/A CYS 234.A SG LEU 230.A O no hydrogen 3.443 N/A TRP 235.A N MET 231.A O no hydrogen 3.081 N/A GLU 236.A N LEU 233.A O no hydrogen 3.461 N/A GLU 240.A N ASN 238.A OD1 no hydrogen 2.932 N/A ALA 241.A N ASN 238.A O no hydrogen 2.864 N/A ARG 242.A N PRO 239.A O no hydrogen 3.088 N/A ARG 242.A NE GLU 236.A O no hydrogen 2.794 N/A ARG 242.A NH1 GLU 163.A OE1 no hydrogen 2.884 N/A ARG 242.A NH1 LYS 175.A O no hydrogen 2.900 N/A ARG 242.A NH2 GLU 163.A OE2 no hydrogen 2.935 N/A ARG 242.A NH2 GLU 236.A O no hydrogen 3.168 N/A GLY 247.A N THR 244.A OG1 no hydrogen 3.057 N/A ILE 248.A N THR 244.A O no hydrogen 2.912 N/A GLU 249.A N PHE 245.A O no hydrogen 2.870 N/A GLU 250.A N PRO 246.A O no hydrogen 2.908 N/A LYS 251.A N GLY 247.A O no hydrogen 2.997 N/A LYS 251.A N ILE 248.A O no hydrogen 3.160 N/A PHE 252.A N ILE 248.A O no hydrogen 2.847 N/A ARG 253.A N GLU 249.A O no hydrogen 2.896 N/A ARG 253.A NE GLU 249.A OE1 no hydrogen 3.260 N/A ARG 253.A NH2 GLU 109.A OE2 no hydrogen 2.763 N/A ARG 253.A NH2 GLU 249.A OE1 no hydrogen 2.652 N/A TYR 256.A N PHE 252.A O no hydrogen 2.856 N/A LEU 257.A N ARG 253.A O no hydrogen 2.749 N/A SER 258.A N PRO 254.A O no hydrogen 2.626 N/A SER 258.A OG PRO 254.A O no hydrogen 2.496 N/A GLN 259.A N PHE 255.A O no hydrogen 2.895 N/A LEU 260.A N TYR 256.A O no hydrogen 2.726 N/A GLU 261.A N TYR 256.A O no hydrogen 2.526 N/A