Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pjx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N.A ILE 3.A O no hydrogen 2.777 N/A ILE 6.A N ARG 262.A O no hydrogen 2.927 N/A THR 11.A N LYS 294.A O no hydrogen 2.866 N/A LYS 12.A NZ GLU 15.A OE1.A no hydrogen 2.870 N/A VAL 13.A N VAL 292.A O no hydrogen 2.819 N/A THR 14.A N VAL 292.A O no hydrogen 3.259 N/A THR 14.A OG1 GLY 56.A O no hydrogen 2.725 N/A GLU 15.A N THR 14.A OG1 no hydrogen 2.951 N/A ILE 17.A N ASN 290.A O no hydrogen 2.886 N/A GLY 19.A N ASN 290.A OD1 no hydrogen 2.969 N/A ALA 20.A N ILE 17.A O no hydrogen 2.953 N/A GLU 21.A N VAL 34.A O no hydrogen 2.904 N/A GLY 22.A N GLU 21.A OE1 no hydrogen 2.857 N/A VAL 24.A N TYR 32.A O no hydrogen 3.027 N/A ASP 26.A N ASP 30.A O no hydrogen 2.907 N/A LYS 27.A N ASN 83.A OD1 no hydrogen 2.856 N/A LYS 27.A NZ ARG 80.A O no hydrogen 2.615 N/A ASN 28.A N ASP 26.A OD1 no hydrogen 2.891 N/A GLY 29.A N ASP 26.A O no hydrogen 3.076 N/A ASP 30.A N ASP 26.A OD1 no hydrogen 2.955 N/A TYR 32.A N VAL 24.A O no hydrogen 2.913 N/A TYR 32.A OH ASP 26.A OD2 no hydrogen 2.674 N/A ILE 33.A N LEU 49.A O no hydrogen 3.007 N/A VAL 34.A N GLU 21.A O no hydrogen 2.929 N/A ALA 35.A N GLU 47.A O no hydrogen 2.785 N/A GLU 37.A N PRO 18.A O no hydrogen 3.248 N/A VAL 40.A N LYS 43.A O no hydrogen 2.946 N/A LYS 43.A N VAL 40.A O no hydrogen 3.057 N/A ALA 45.A N VAL 38.A O no hydrogen 2.868 N/A GLY 46.A N GLY 71.A O no hydrogen 2.881 N/A GLU 47.A N ALA 35.A O no hydrogen 3.064 N/A ILE 48.A N CYS 62.A O no hydrogen 2.820 N/A LEU 49.A N ILE 33.A O no hydrogen 2.815 N/A ARG 50.A N THR 59.A O no hydrogen 2.861 N/A ARG 50.A NE.A TYR 32.A OH no hydrogen 3.293 N/A ARG 50.A NH1.C ASP 30.A OD1.A no hydrogen 3.427 N/A ARG 50.A NH2.A TYR 32.A OH no hydrogen 3.168 N/A ARG 50.A NH2.A THR 99.A O no hydrogen 3.062 N/A ILE 51.A N PHE 31.A O no hydrogen 2.904 N/A ASP 52.A N LYS 57.A O no hydrogen 2.934 N/A LYS 54.A N ASP 52.A OD1 no hydrogen 3.065 N/A THR 55.A N ASP 52.A O no hydrogen 3.247 N/A GLY 56.A N ASP 52.A O no hydrogen 2.790 N/A LYS 57.A N THR 55.A OG1 no hydrogen 3.083 N/A LYS 58.A NZ GLU 15.A O no hydrogen 2.809 N/A LYS 58.A NZ ASP 16.A O no hydrogen 2.979 N/A THR 59.A N ARG 50.A O no hydrogen 2.924 N/A THR 59.A OG1.B ARG 50.A O no hydrogen 3.413 N/A ILE 61.A N ILE 48.A O no hydrogen 2.874 N/A CYS 62.A N ILE 48.A O no hydrogen 3.337 N/A CYS 62.A SG GLY 101.A O no hydrogen 3.453 N/A LYS 63.A NZ ALA 45.A O no hydrogen 2.802 N/A LYS 63.A NZ GLU 47.A OE1 no hydrogen 2.706 N/A VAL 66.A N TYR 69.A O no hydrogen 2.987 N/A GLY 68.A N GLU 65.A OE1 no hydrogen 2.819 N/A TYR 69.A N VAL 66.A O no hydrogen 3.004 N/A GLY 71.A N PRO 64.A O no hydrogen 2.892 N/A ILE 72.A N ASP 89.A OD2 no hydrogen 2.867 N/A ALA 74.A N ALA 88.A O no hydrogen 2.793 N/A GLY 75.A N ALA 88.A O no hydrogen 3.322 N/A CYS 76.A SG GLY 22.A O no hydrogen 3.414 N/A GLN 77.A N PHE 86.A O no hydrogen 2.898 N/A GLN 77.A NE2 CYS 76.A O no hydrogen 2.997 N/A GLN 77.A NE2 GLN 304.A OE1 no hydrogen 2.947 N/A CYS 78.A SG ASP 79.A O no hydrogen 3.421 N/A CYS 78.A SG ASN 83.A OD1 no hydrogen 3.644 N/A CYS 78.A SG GLN 84.A O no hydrogen 3.859 N/A ASP 79.A N GLN 84.A O no hydrogen 2.885 N/A ARG 80.A NE ASP 81.A OD1 no hydrogen 2.857 N/A ARG 80.A NH2 ASP 81.A OD1 no hydrogen 3.064 N/A ARG 80.A NH2 ASP 81.A OD2 no hydrogen 3.371 N/A ASN 83.A ND2 ASP 26.A OD2 no hydrogen 3.073 N/A GLN 84.A N ALA 82.A O no hydrogen 3.044 N/A GLN 84.A NE2 ASP 79.A OD1 no hydrogen 2.873 N/A LEU 85.A N VAL 97.A O no hydrogen 2.870 N/A PHE 86.A N GLN 77.A O no hydrogen 2.792 N/A VAL 87.A N LEU 95.A O no hydrogen 2.849 N/A ALA 88.A N GLY 75.A O no hydrogen 2.797 N/A ASP 89.A N GLY 93.A O no hydrogen 2.798 N/A MET 90.A N ILE 72.A O no hydrogen 2.870 N/A ARG 91.A N ASP 89.A OD2 no hydrogen 2.843 N/A ARG 91.A NH1 ALA 142.A O no hydrogen 2.842 N/A ARG 91.A NH2 ALA 142.A O no hydrogen 2.895 N/A LEU 92.A N ASP 89.A OD2 no hydrogen 2.881 N/A GLY 93.A N ASP 89.A O no hydrogen 2.920 N/A LEU 95.A N VAL 87.A O no hydrogen 2.820 N/A VAL 96.A N GLU 104.A O no hydrogen 2.939 N/A VAL 97.A N LEU 85.A O no hydrogen 2.787 N/A GLN 98.A N THR 102.A O no hydrogen 2.871 N/A GLN 98.A NE2 GLN 84.A OE1 no hydrogen 2.884 N/A GLY 101.A N GLN 98.A O no hydrogen 2.917 N/A THR 102.A N ASP 100.A OD1 no hydrogen 2.968 N/A THR 102.A OG1 ASP 100.A OD1 no hydrogen 2.735 N/A GLU 104.A N VAL 96.A O no hydrogen 2.929 N/A ILE 106.A N LEU 94.A O no hydrogen 2.832 N/A LYS 108.A NZ GLU 105.A OE1.B no hydrogen 3.061 N/A LYS 108.A NZ GLU 105.A OE2.A no hydrogen 2.765 N/A LYS 108.A NZ GLU 105.A OE2.B no hydrogen 2.816 N/A ASP 110.A N ARG 114.A O no hydrogen 2.883 N/A SER 111.A N MET 164.A O no hydrogen 2.803 N/A SER 111.A OG MET 164.A O no hydrogen 3.451 N/A GLU 112.A N ASP 110.A OD1 no hydrogen 2.893 N/A GLY 113.A N ASP 110.A O no hydrogen 2.906 N/A ARG 114.A N ASP 110.A OD1 no hydrogen 2.968 N/A ARG 114.A NE.B ASP 110.A OD2 no hydrogen 2.971 N/A ARG 114.A NH1.A ASP 110.A OD2 no hydrogen 2.846 N/A ARG 114.A NH1.B ASP 110.A OD2 no hydrogen 3.058 N/A ARG 115.A NH2.B GLU 138.A OE1.A no hydrogen 2.894 N/A ARG 115.A NH2.B GLU 138.A OE1.B no hydrogen 3.283 N/A ARG 115.A NH2.B GLU 138.A OE2.B no hydrogen 2.971 N/A MET 116.A N LYS 108.A O no hydrogen 2.838 N/A GLN 117.A N TYR 156.A OH no hydrogen 3.185 N/A GLN 117.A NE2 ALA 136.A O no hydrogen 2.871 N/A GLN 117.A NE2 PHE 152.A O no hydrogen 2.965 N/A GLY 118.A N GLY 137.A O no hydrogen 2.832 N/A CYS 119.A N ASP 89.A O no hydrogen 2.924 N/A CYS 119.A SG GLN 117.A O no hydrogen 3.450 N/A ASN 120.A N THR 133.A O no hydrogen 2.864 N/A ASP 121.A N THR 133.A OG1 no hydrogen 3.082 N/A CYS 122.A N ASP 121.A OD1 no hydrogen 2.882 N/A CYS 122.A SG PHE 86.A O no hydrogen 3.942 N/A ALA 123.A N TRP 131.A O no hydrogen 2.812 N/A PHE 124.A N GLN 77.A OE1 no hydrogen 2.926 N/A ASP 125.A N ASN 129.A O no hydrogen 2.915 N/A TYR 126.A N HIS 181.A NE2 no hydrogen 2.875 N/A TYR 126.A OH LYS 303.A O no hydrogen 2.656 N/A GLY 128.A N ASP 125.A O no hydrogen 2.962 N/A ASN 129.A N ASP 125.A OD2 no hydrogen 3.038 N/A LEU 130.A N PHE 158.A O no hydrogen 2.943 N/A TRP 131.A N ALA 123.A O no hydrogen 2.886 N/A TRP 131.A NE1 ASP 125.A OD1 no hydrogen 2.822 N/A ILE 132.A N TYR 156.A O no hydrogen 2.846 N/A THR 133.A N ASP 121.A O no hydrogen 2.933 N/A THR 133.A OG1 ASP 121.A O no hydrogen 3.366 N/A THR 133.A OG1 ASN 175.A O no hydrogen 2.703 N/A ALA 134.A N SER 154.A O no hydrogen 2.787 N/A ALA 136.A N GLY 118.A O no hydrogen 3.241 N/A GLY 137.A N THR 145.A O no hydrogen 2.884 N/A VAL 139.A N MET 116.A O no hydrogen 2.921 N/A ALA 140.A N ARG 91.A O no hydrogen 2.857 N/A ALA 142.A N VAL 139.A O no hydrogen 3.036 N/A SER 147.A N PRO 135.A O no hydrogen 2.880 N/A SER 147.A OG PRO 135.A O no hydrogen 2.747 N/A LYS 151.A NZ.B GLN 172.A OE1 no hydrogen 2.537 N/A PHE 152.A N GLU 150.A O no hydrogen 3.113 N/A GLY 153.A N PHE 171.A O no hydrogen 2.820 N/A SER 154.A N ALA 134.A O no hydrogen 2.894 N/A SER 154.A OG GLN 117.A OE1 no hydrogen 2.679 N/A SER 154.A OG THR 169.A OG1.A no hydrogen 2.628 N/A ILE 155.A N ASP 168.A O no hydrogen 2.928 N/A TYR 156.A N ILE 132.A O no hydrogen 2.880 N/A CYS 157.A N ILE 165.A O no hydrogen 2.819 N/A PHE 158.A N LEU 130.A O no hydrogen 2.788 N/A THR 159.A N GLN 163.A O no hydrogen 2.905 N/A THR 159.A OG1 ASP 161.A OD2 no hydrogen 2.619 N/A THR 159.A OG1 GLN 163.A O no hydrogen 3.400 N/A THR 160.A N ASN 129.A OD1 no hydrogen 2.851 N/A GLY 162.A N THR 159.A O no hydrogen 2.848 N/A GLN 163.A N THR 159.A OG1 no hydrogen 3.038 N/A GLN 163.A NE2.A ASP 161.A OD1 no hydrogen 3.084 N/A GLN 163.A NE2.B ASP 161.A O no hydrogen 2.701 N/A ILE 165.A N CYS 157.A O no hydrogen 2.914 N/A GLN 166.A NE2 TYR 156.A OH no hydrogen 3.489 N/A VAL 167.A N ILE 155.A O no hydrogen 2.810 N/A ASP 168.A N ILE 155.A O no hydrogen 3.328 N/A THR 169.A N ASP 168.A OD1 no hydrogen 2.831 N/A THR 169.A OG1.A GLY 153.A O no hydrogen 3.441 N/A THR 169.A OG1.A SER 154.A OG no hydrogen 2.628 N/A ALA 170.A N THR 169.A OG1.A no hydrogen 2.744 N/A PHE 171.A N GLY 153.A O no hydrogen 2.918 N/A GLN 172.A N GLU 194.A OE1 no hydrogen 2.822 N/A GLN 172.A NE2 MET 148.A O no hydrogen 2.899 N/A PHE 173.A N SER 147.A OG no hydrogen 2.951 N/A ASN 175.A N ALA 193.A O no hydrogen 2.866 N/A ASN 175.A ND2 THR 195.A OG1 no hydrogen 2.944 N/A ALA 178.A N ILE 191.A O no hydrogen 2.995 N/A ARG 180.A N GLN 189.A O no hydrogen 2.829 N/A ARG 180.A NE GLN 189.A OE1 no hydrogen 2.675 N/A ARG 180.A NH1 ASN 237.A O no hydrogen 3.169 N/A ARG 180.A NH2 GLN 189.A OE1 no hydrogen 3.234 N/A MET 182.A N ARG 186.A O no hydrogen 2.832 N/A GLY 185.A N MET 182.A O no hydrogen 2.865 N/A ARG 186.A N ASP 184.A OD1 no hydrogen 3.081 N/A TYR 188.A N ARG 180.A O no hydrogen 2.916 N/A GLN 189.A N ARG 180.A O no hydrogen 3.324 N/A LEU 190.A N TYR 203.A O no hydrogen 2.923 N/A ILE 191.A N ALA 178.A O no hydrogen 2.885 N/A VAL 192.A N TRP 201.A O no hydrogen 2.828 N/A ALA 193.A N GLY 176.A O no hydrogen 2.886 N/A GLU 194.A N LYS 199.A O no hydrogen 3.026 N/A THR 195.A N PHE 173.A O no hydrogen 3.048 N/A THR 195.A OG1 ALA 228.A O no hydrogen 2.688 N/A THR 197.A OG1 GLU 194.A O no hydrogen 3.155 N/A THR 197.A OG1 GLU 194.A OE2 no hydrogen 2.750 N/A LYS 198.A N THR 195.A O no hydrogen 3.220 N/A LYS 198.A NZ HIS 224.A O no hydrogen 2.756 N/A LYS 198.A NZ GLY 226.A O no hydrogen 2.837 N/A LEU 200.A N GLY 218.A O no hydrogen 2.934 N/A TRP 201.A N VAL 192.A O no hydrogen 2.821 N/A TRP 201.A NE1 GLU 194.A OE2 no hydrogen 2.903 N/A SER 202.A N LYS 215.A O no hydrogen 2.832 N/A TYR 203.A N LEU 190.A O no hydrogen 2.921 N/A TYR 203.A OH ASP 168.A OD2 no hydrogen 2.594 N/A ASP 204.A N GLU 212.A O no hydrogen 2.816 N/A ILE 205.A N TYR 188.A O no hydrogen 2.939 N/A LYS 206.A N LYS 210.A O no hydrogen 2.818 N/A LYS 210.A N GLY 207.A O no hydrogen 2.944 N/A GLU 212.A N ASP 204.A O no hydrogen 2.989 N/A ASN 213.A ND2.A ASP 204.A OD2 no hydrogen 2.792 N/A ASN 213.A ND2.B ASP 204.A OD2 no hydrogen 3.138 N/A ASN 213.A ND2.B GLU 212.A OE1.B no hydrogen 3.136 N/A LYS 214.A NZ.B ASP 168.A OD2 no hydrogen 2.839 N/A LYS 215.A N SER 202.A O no hydrogen 2.928 N/A LYS 215.A NZ.C VAL 216.A O.B no hydrogen 3.087 N/A TRP 217.A N.A LEU 200.A O no hydrogen 2.809 N/A TRP 217.A N.B LEU 200.A O no hydrogen 2.685 N/A GLY 218.A N LEU 200.A O no hydrogen 3.071 N/A HIS 219.A N GLY 257.A O no hydrogen 2.914 N/A ILE 220.A N LYS 198.A O no hydrogen 2.919 N/A HIS 224.A NE2 ASN 243.A OD1 no hydrogen 2.868 N/A GLY 227.A N TRP 244.A O no hydrogen 2.994 N/A ASP 229.A N ALA 242.A O no hydrogen 2.868 N/A GLY 230.A N SER 271.A O no hydrogen 2.805 N/A ASP 232.A N LEU 240.A O no hydrogen 3.020 N/A ASP 234.A N ASN 238.A O no hydrogen 2.890 N/A GLU 235.A N ASN 300.A O no hydrogen 2.865 N/A ASP 236.A N ASP 234.A OD2 no hydrogen 2.894 N/A ASN 237.A N ASP 234.A O no hydrogen 2.933 N/A ASN 238.A N ASP 234.A OD2 no hydrogen 2.997 N/A ASN 238.A ND2 ASP 234.A OD1 no hydrogen 2.996 N/A LEU 239.A N PHE 252.A O no hydrogen 2.850 N/A LEU 240.A N ASP 232.A O no hydrogen 2.872 N/A VAL 241.A N GLU 250.A O no hydrogen 2.829 N/A ALA 242.A N GLY 230.A O no hydrogen 2.863 N/A ASN 243.A N HIS 248.A O no hydrogen 3.043 N/A ASN 243.A ND2 PRO 221.A O no hydrogen 2.993 N/A ASN 243.A ND2 GLU 250.A OE2 no hydrogen 2.801 N/A TRP 244.A N GLY 227.A O no hydrogen 2.872 N/A TRP 244.A NE1 HIS 287.A ND1 no hydrogen 2.962 N/A GLY 245.A N GLU 268.A O no hydrogen 2.943 N/A SER 246.A N ASN 243.A O no hydrogen 3.013 N/A SER 246.A OG ASN 243.A O no hydrogen 2.682 N/A SER 247.A N GLU 268.A O no hydrogen 3.028 N/A SER 247.A OG PHE 267.A O no hydrogen 3.564 N/A HIS 248.A N SER 246.A OG no hydrogen 2.932 N/A HIS 248.A ND1 SER 246.A O no hydrogen 2.820 N/A ILE 249.A N ILE 263.A O no hydrogen 2.914 N/A GLU 250.A N VAL 241.A O no hydrogen 2.806 N/A VAL 251.A N MET 261.A O no hydrogen 2.878 N/A PHE 252.A N LEU 239.A O no hydrogen 2.834 N/A GLY 256.A N GLY 253.A O no hydrogen 3.038 N/A GLY 257.A N TRP 217.A O no hydrogen 2.867 N/A LYS 260.A N VAL 251.A O no hydrogen 2.784 N/A LYS 260.A NZ.A ASN 238.A OD1 no hydrogen 2.757 N/A MET 261.A N VAL 251.A O no hydrogen 3.423 N/A ARG 262.A N PRO 4.A O no hydrogen 2.885 N/A ARG 262.A NE GLU 250.A OE1 no hydrogen 2.824 N/A ARG 262.A NE GLU 250.A OE2 no hydrogen 3.428 N/A ARG 262.A NH2 GLU 250.A OE2 no hydrogen 2.774 N/A ILE 263.A N ILE 249.A O no hydrogen 2.773 N/A ARG 264.A N ILE 6.A O no hydrogen 2.956 N/A CYS 265.A N SER 247.A O no hydrogen 2.849 N/A CYS 265.A SG ILE 263.A O no hydrogen 4.006 N/A GLU 268.A N GLU 288.A OE2.A no hydrogen 2.855 N/A GLU 268.A N GLU 288.A OE2.B no hydrogen 2.725 N/A SER 271.A N THR 285.A O no hydrogen 2.825 N/A SER 271.A OG.A ASP 229.A OD2 no hydrogen 2.795 N/A SER 271.A OG.B ALA 20.A O no hydrogen 2.909 N/A SER 271.A OG.B THR 285.A OG1 no hydrogen 2.398 N/A SER 271.A OG.B HIS 287.A NE2 no hydrogen 3.108 N/A ASN 272.A ND2 GLU 21.A OE1 no hydrogen 2.816 N/A ASN 272.A ND2 ASP 121.A OD2 no hydrogen 3.028 N/A LEU 273.A N ASN 272.A OD1 no hydrogen 2.807 N/A HIS 274.A N PHE 283.A O no hydrogen 2.885 N/A LYS 276.A N THR 281.A O no hydrogen 2.898 N/A THR 279.A N LYS 276.A O no hydrogen 3.161 N/A THR 279.A OG1 LYS 276.A O no hydrogen 2.816 N/A THR 281.A N THR 279.A OG1 no hydrogen 2.988 N/A THR 281.A OG1 GLU 296.A OE1 no hydrogen 2.640 N/A THR 281.A OG1 GLU 296.A OE2 no hydrogen 3.492 N/A ILE 282.A N PHE 295.A O no hydrogen 2.861 N/A PHE 283.A N HIS 274.A O no hydrogen 2.823 N/A VAL 284.A N TRP 293.A O no hydrogen 2.803 N/A THR 285.A N ASN 272.A O no hydrogen 2.874 N/A THR 285.A OG1 ALA 20.A O no hydrogen 2.881 N/A THR 285.A OG1 SER 271.A OG.B no hydrogen 2.398 N/A THR 285.A OG1 ASN 272.A O no hydrogen 3.521 N/A GLU 286.A N ALA 291.A O no hydrogen 2.957 N/A HIS 287.A N LYS 269.A O no hydrogen 2.934 N/A HIS 287.A NE2 ALA 20.A O no hydrogen 2.800 N/A ASN 289.A N GLU 286.A OE2 no hydrogen 2.798 N/A ASN 289.A ND2 GLU 286.A OE1 no hydrogen 2.838 N/A ALA 291.A N GLU 286.A O no hydrogen 3.060 N/A VAL 292.A N THR 14.A O no hydrogen 2.937 N/A TRP 293.A N VAL 284.A O no hydrogen 2.868 N/A TRP 293.A NE1 GLU 286.A OE1 no hydrogen 2.813 N/A LYS 294.A N THR 11.A O no hydrogen 2.851 N/A PHE 295.A N ILE 282.A O no hydrogen 2.952 N/A TRP 297.A N LYS 280.A O no hydrogen 2.808 N/A TRP 297.A NE1 ASP 234.A OD1 no hydrogen 2.807 N/A ARG 299.A NH1 ASP 234.A OD1 no hydrogen 2.928 N/A ARG 299.A NH2 GLN 298.A OE1 no hydrogen 3.366 N/A LYS 302.A N PHE 233.A O no hydrogen 2.974 N/A LYS 302.A NZ.A ASN 237.A OD1 no hydrogen 3.135 N/A GLN 304.A N GLU 307.A OE2 no hydrogen 2.922 N/A GLU 307.A N GLN 304.A O no hydrogen 2.926 N/A THR 308.A N TYR 305.A O no hydrogen 3.011 N/A THR 308.A OG1 TYR 305.A O no hydrogen 2.707 N/A GLY 312.A N.A LEU 309.A O no hydrogen 3.389 N/A