Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dkc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 GLU 100.A OE1.A no hydrogen 3.204 N/A HIS 2.A ND1 GLU 100.A OE2.B no hydrogen 3.144 N/A ILE 3.A N SER 99.A O no hydrogen 2.789 N/A SER 6.A N ASP 4.A OD2 no hydrogen 2.985 N/A SER 6.A OG ASP 4.A OD1 no hydrogen 3.457 N/A SER 6.A OG ASP 4.A OD2 no hydrogen 2.511 N/A ALA 7.A N ASP 4.A O no hydrogen 2.959 N/A LEU 8.A N LEU 5.A O no hydrogen 3.198 N/A GLU 11.A N ASN 9.A OD1 no hydrogen 3.439 N/A VAL 13.A N ASN 9.A O no hydrogen 3.006 N/A GLN 14.A N PRO 10.A O no hydrogen 2.987 N/A ALA 15.A N GLU 11.A O no hydrogen 2.928 N/A VAL 16.A N LEU 12.A O no hydrogen 2.952 N/A GLN 17.A N GLN 14.A O no hydrogen 3.264 N/A GLN 17.A NE2 VAL 13.A O no hydrogen 2.806 N/A VAL 19.A N VAL 16.A O no hydrogen 2.855 N/A VAL 20.A N VAL 16.A O no hydrogen 3.181 N/A VAL 20.A N GLN 17.A O no hydrogen 3.319 N/A ILE 21.A N ILE 95.A O no hydrogen 2.791 N/A SER 25.A N GLY 22.A O no hydrogen 2.918 N/A LEU 26.A N PRO 23.A O no hydrogen 3.393 N/A ILE 27.A N THR 46.A O no hydrogen 2.936 N/A HIS 29.A N HIS 44.A O no hydrogen 2.884 N/A HIS 29.A NE2 THR 46.A OG1 no hydrogen 2.776 N/A GLU 32.A N HIS 29.A O no hydrogen 2.785 N/A ILE 34.A N VAL 42.A O no hydrogen 2.734 N/A GLY 35.A N VAL 42.A O no hydrogen 3.401 N/A GLY 37.A N GLY 40.A O no hydrogen 3.061 N/A CYS 41.A N SER 61.A O no hydrogen 3.285 N/A CYS 41.A N SER 61.A OG.A no hydrogen 3.281 N/A CYS 41.A SG.A GLY 35.A O no hydrogen 3.718 N/A CYS 41.A SG.A TYR 43.A OH no hydrogen 3.452 N/A VAL 42.A N GLY 35.A O no hydrogen 2.897 N/A TYR 43.A N VAL 59.A O no hydrogen 2.793 N/A HIS 44.A N GLU 32.A O no hydrogen 3.022 N/A HIS 44.A ND1 HIS 56.A NE2 no hydrogen 3.008 N/A GLY 45.A N CYS 57.A O no hydrogen 2.907 N/A THR 46.A N ILE 27.A O no hydrogen 2.895 N/A THR 46.A OG1 HIS 29.A NE2 no hydrogen 2.776 N/A LEU 47.A N ILE 55.A O no hydrogen 2.778 N/A LEU 48.A N SER 25.A O no hydrogen 2.837 N/A ASP 49.A N LYS 53.A O no hydrogen 2.869 N/A GLY 52.A N ASP 49.A O no hydrogen 2.854 N/A ILE 55.A N LEU 47.A O no hydrogen 2.660 N/A HIS 56.A NE2 HIS 44.A ND1 no hydrogen 3.008 N/A CYS 57.A N GLY 45.A O no hydrogen 2.966 N/A CYS 57.A SG.B ILE 55.A O no hydrogen 3.744 N/A ALA 58.A N LEU 107.A O no hydrogen 2.903 N/A VAL 59.A N TYR 43.A O no hydrogen 2.789 N/A LYS 60.A N VAL 105.A O no hydrogen 2.918 N/A LYS 60.A NZ ASP 172.A OD1 no hydrogen 2.828 N/A LYS 60.A NZ ASP 172.A OD2 no hydrogen 2.934 N/A SER 61.A N CYS 41.A O no hydrogen 2.852 N/A SER 61.A OG.A CYS 41.A O no hydrogen 3.284 N/A SER 61.A OG.A ASN 63.A OD1 no hydrogen 3.147 N/A SER 61.A OG.B ASN 63.A OD1 no hydrogen 2.813 N/A LEU 62.A N PRO 103.A O no hydrogen 3.044 N/A ASN 63.A N PHE 39.A O no hydrogen 3.208 N/A ARG 64.A NH1 GLU 183.A OE1 no hydrogen 3.523 N/A ARG 64.A NH2 GLU 183.A OE1 no hydrogen 2.725 N/A ILE 65.A N LEU 62.A O no hydrogen 3.018 N/A THR 66.A N GLU 70.A OE2 no hydrogen 2.942 N/A THR 66.A OG1 GLU 70.A OE2 no hydrogen 3.411 N/A ASP 67.A N GLU 70.A OE2 no hydrogen 3.258 N/A GLY 69.A N ASP 67.A OD2 no hydrogen 3.387 N/A GLU 70.A N ASP 67.A OD1 no hydrogen 3.037 N/A VAL 71.A N ASP 67.A O no hydrogen 2.925 N/A SER 72.A N ILE 68.A O no hydrogen 2.781 N/A GLN 73.A N GLY 69.A O no hydrogen 3.095 N/A PHE 74.A N GLU 70.A O no hydrogen 2.937 N/A LEU 75.A N VAL 71.A O no hydrogen 2.885 N/A THR 76.A N SER 72.A O no hydrogen 3.237 N/A GLU 77.A N GLN 73.A O no hydrogen 3.089 N/A GLY 78.A N PHE 74.A O no hydrogen 2.726 N/A ILE 79.A N LEU 75.A O no hydrogen 3.011 N/A ILE 80.A N THR 76.A O no hydrogen 3.370 N/A MET 81.A N GLU 77.A O no hydrogen 2.811 N/A LYS 82.A N GLY 78.A O no hydrogen 2.882 N/A ASP 83.A N ILE 80.A O no hydrogen 3.159 N/A PHE 84.A N MET 81.A O no hydrogen 3.071 N/A ASN 88.A N HIS 86.A ND1 no hydrogen 2.893 N/A ASN 88.A ND2 GLN 137.A OE1 no hydrogen 3.383 N/A ASN 88.A ND2 VAL 168.A O no hydrogen 2.894 N/A VAL 89.A N HIS 86.A O no hydrogen 3.082 N/A LEU 90.A N VAL 170.A O no hydrogen 2.866 N/A LEU 93.A N VAL 106.A O no hydrogen 2.854 N/A GLY 94.A N VAL 106.A O no hydrogen 3.405 N/A ILE 95.A N VAL 19.A O no hydrogen 2.928 N/A CYS 96.A N LEU 104.A O no hydrogen 2.858 N/A CYS 96.A SG ILE 21.A O no hydrogen 3.964 N/A ARG 98.A NE SER 102.A O no hydrogen 2.770 N/A ARG 98.A NH1 SER 102.A O no hydrogen 2.739 N/A SER 99.A OG GLU 100.A OE1.B no hydrogen 3.442 N/A SER 102.A OG ILE 65.A O no hydrogen 2.760 N/A LEU 104.A N CYS 96.A O no hydrogen 3.014 N/A VAL 105.A N LYS 60.A O no hydrogen 2.894 N/A VAL 106.A N GLY 94.A O no hydrogen 2.796 N/A LEU 107.A N ALA 58.A O no hydrogen 2.822 N/A HIS 112.A N LEU 162.A O no hydrogen 2.947 N/A HIS 112.A ND1 ASP 163.A O no hydrogen 3.064 N/A GLY 113.A N MET 110.A O no hydrogen 3.204 N/A LEU 115.A N CYS 160.A O no hydrogen 2.690 N/A ARG 116.A NE GLY 230.A O no hydrogen 3.167 N/A ASN 117.A N ASP 114.A OD2 no hydrogen 2.856 N/A ASN 117.A ND2 ASP 114.A OD1 no hydrogen 2.808 N/A PHE 118.A N ASP 114.A O no hydrogen 3.071 N/A ILE 119.A N LEU 115.A O no hydrogen 3.084 N/A ARG 120.A N ARG 116.A O no hydrogen 2.967 N/A ARG 120.A NH1 GLY 230.A O no hydrogen 3.130 N/A ASN 121.A N ASN 117.A O no hydrogen 3.048 N/A THR 123.A N ASN 121.A OD1 no hydrogen 2.881 N/A THR 123.A OG1 ASN 121.A OD1 no hydrogen 2.697 N/A HIS 124.A N ASN 121.A O no hydrogen 2.919 N/A HIS 124.A ND1 PHE 118.A O no hydrogen 2.687 N/A THR 127.A N ASP 130.A OD2 no hydrogen 2.897 N/A VAL 128.A N HIS 298.A O no hydrogen 2.891 N/A LYS 129.A NZ.A PHE 291.A O no hydrogen 2.845 N/A LYS 129.A NZ.A PHE 294.A O no hydrogen 2.773 N/A ASP 130.A N THR 127.A OG1 no hydrogen 3.169 N/A LEU 131.A N THR 127.A O no hydrogen 3.100 N/A ILE 132.A N VAL 128.A O no hydrogen 2.889 N/A GLY 133.A N LYS 129.A O no hydrogen 2.829 N/A PHE 134.A N ASP 130.A O no hydrogen 3.022 N/A GLY 135.A N LEU 131.A O no hydrogen 3.065 N/A LEU 136.A N ILE 132.A O no hydrogen 2.827 N/A GLN 137.A N GLY 133.A O no hydrogen 3.077 N/A VAL 138.A N PHE 134.A O no hydrogen 3.016 N/A ALA 139.A N GLY 135.A O no hydrogen 2.917 N/A LYS 140.A N LEU 136.A O no hydrogen 2.930 N/A GLY 141.A N GLN 137.A O no hydrogen 3.030 N/A MET 142.A N VAL 138.A O no hydrogen 2.873 N/A LYS 143.A N ALA 139.A O no hydrogen 2.756 N/A PHE 144.A N LYS 140.A O no hydrogen 3.010 N/A LEU 145.A N GLY 141.A O no hydrogen 3.003 N/A ALA 146.A N MET 142.A O no hydrogen 2.784 N/A SER 147.A N LYS 143.A O no hydrogen 3.014 N/A SER 147.A OG PHE 144.A O no hydrogen 2.700 N/A LYS 148.A N PHE 144.A O no hydrogen 3.280 N/A LYS 148.A N LEU 145.A O no hydrogen 2.972 N/A LYS 149.A N ALA 146.A O no hydrogen 2.906 N/A PHE 150.A N LEU 145.A O no hydrogen 3.021 N/A HIS 152.A N ASP 215.A OD2 no hydrogen 2.723 N/A HIS 152.A NE2 ALA 171.A O no hydrogen 2.740 N/A ARG 153.A N ASP 215.A OD1 no hydrogen 2.982 N/A ASP 154.A N HIS 152.A ND1 no hydrogen 3.004 N/A ALA 157.A N GLU 225.A OE2 no hydrogen 2.861 N/A ARG 158.A NH2 ASP 154.A OD1 no hydrogen 3.018 N/A ASN 159.A N ALA 156.A O no hydrogen 2.923 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 2.988 N/A CYS 160.A N ALA 157.A O no hydrogen 3.114 N/A CYS 160.A SG ALA 156.A O no hydrogen 3.657 N/A MET 161.A N LYS 169.A O no hydrogen 2.796 N/A LEU 162.A N GLY 113.A O no hydrogen 2.795 N/A ASP 163.A N THR 167.A O no hydrogen 3.151 N/A GLU 164.A N GLU 164.A OE2 no hydrogen 2.767 N/A LYS 165.A N ASP 163.A OD2 no hydrogen 2.838 N/A LYS 165.A NZ GLU 164.A OE1 no hydrogen 3.118 N/A PHE 166.A N ASP 163.A O no hydrogen 2.935 N/A THR 167.A N ASP 163.A OD2 no hydrogen 3.041 N/A VAL 168.A N GLN 137.A OE1 no hydrogen 2.826 N/A LYS 169.A N MET 161.A O no hydrogen 2.684 N/A LYS 169.A NZ PRO 87.A O no hydrogen 2.803 N/A VAL 170.A N ASN 88.A O no hydrogen 2.870 N/A ALA 171.A N ASN 159.A O no hydrogen 2.781 N/A GLY 174.A N HIS 152.A O no hydrogen 2.830 N/A LEU 175.A N ASP 172.A O no hydrogen 3.405 N/A ARG 177.A N GLY 174.A O no hydrogen 3.338 N/A ARG 177.A NE.A GLU 77.A OE2 no hydrogen 2.904 N/A ARG 177.A NH1.A GLU 77.A OE1 no hydrogen 2.719 N/A TYR 180.A N ALA 176.A O no hydrogen 2.983 N/A TYR 180.A OH ARG 153.A O no hydrogen 2.714 N/A ASP 181.A N ARG 177.A O no hydrogen 2.983 N/A LYS 182.A N ASP 178.A O no hydrogen 2.944 N/A LYS 182.A NZ ARG 64.A O no hydrogen 2.736 N/A LYS 182.A NZ GLU 70.A OE1 no hydrogen 3.408 N/A LYS 182.A NZ GLU 70.A OE2 no hydrogen 2.985 N/A GLU 183.A N MET 179.A O no hydrogen 2.889 N/A PHE 184.A N TYR 180.A O no hydrogen 2.883 N/A HIS 188.A N SER 186.A OG no hydrogen 3.314 N/A ASN 189.A N SER 186.A O no hydrogen 2.978 N/A ASN 189.A ND2 GLU 183.A O no hydrogen 3.002 N/A LYS 194.A N ASN 189.A OD1 no hydrogen 2.950 N/A LEU 195.A N GLY 192.A O no hydrogen 3.117 N/A VAL 197.A N LEU 195.A O no hydrogen 2.814 N/A LYS 198.A NZ PRO 233.A O no hydrogen 2.854 N/A LYS 198.A NZ TYR 234.A O no hydrogen 3.362 N/A TRP 199.A N PRO 196.A O no hydrogen 3.137 N/A TRP 199.A NE1 GLU 225.A OE2 no hydrogen 2.867 N/A MET 200.A N VAL 197.A O no hydrogen 3.095 N/A GLU 203.A N GLU 203.A OE1 no hydrogen 2.853 N/A SER 204.A N ALA 201.A O no hydrogen 2.939 N/A SER 204.A OG LYS 209.A O no hydrogen 2.776 N/A LEU 205.A N ALA 201.A O no hydrogen 3.072 N/A GLN 206.A N LEU 202.A O no hydrogen 3.038 N/A THR 207.A N GLU 203.A O no hydrogen 2.785 N/A THR 207.A OG1 GLU 203.A O no hydrogen 2.649 N/A GLN 208.A N SER 204.A O no hydrogen 2.772 N/A LYS 209.A N THR 207.A OG1 no hydrogen 3.256 N/A THR 211.A N SER 214.A OG no hydrogen 2.816 N/A LYS 213.A NZ ARG 277.A O no hydrogen 2.738 N/A SER 214.A N THR 211.A OG1 no hydrogen 3.032 N/A SER 214.A OG THR 211.A O no hydrogen 2.842 N/A ASP 215.A N THR 211.A O no hydrogen 3.045 N/A VAL 216.A N THR 212.A O no hydrogen 2.946 N/A TRP 217.A N LYS 213.A O no hydrogen 3.316 N/A SER 218.A N SER 214.A O no hydrogen 3.101 N/A SER 218.A OG TRP 199.A O no hydrogen 2.747 N/A SER 218.A OG SER 214.A O no hydrogen 3.349 N/A PHE 219.A N ASP 215.A O no hydrogen 2.798 N/A GLY 220.A N VAL 216.A O no hydrogen 2.988 N/A VAL 221.A N TRP 217.A O no hydrogen 3.147 N/A LEU 222.A N SER 218.A O no hydrogen 2.849 N/A LEU 223.A N PHE 219.A O no hydrogen 2.861 N/A TRP 224.A N GLY 220.A O no hydrogen 3.123 N/A TRP 224.A NE1 LEU 253.A O no hydrogen 2.740 N/A GLU 225.A N VAL 221.A O no hydrogen 2.890 N/A LEU 226.A N LEU 222.A O no hydrogen 2.840 N/A MET 227.A N LEU 223.A O no hydrogen 2.962 N/A THR 228.A N TRP 224.A O no hydrogen 3.046 N/A THR 228.A OG1 TRP 224.A O no hydrogen 2.938 N/A THR 228.A OG1 GLU 225.A O no hydrogen 3.130 N/A ARG 229.A N LEU 226.A O no hydrogen 3.085 N/A ARG 229.A NE ILE 119.A O no hydrogen 2.862 N/A ARG 229.A NH1 VAL 300.A O no hydrogen 3.091 N/A ARG 229.A NH2 ILE 119.A O no hydrogen 3.080 N/A ARG 229.A NH2 HIS 124.A O no hydrogen 2.907 N/A GLY 230.A N GLU 225.A O no hydrogen 2.752 N/A ALA 231.A N THR 228.A OG1 no hydrogen 3.124 N/A VAL 237.A N TYR 234.A O no hydrogen 3.068 N/A PHE 240.A N THR 191.A O no hydrogen 2.907 N/A ASP 241.A N THR 239.A OG1 no hydrogen 3.100 N/A ILE 242.A N THR 239.A O no hydrogen 2.907 N/A THR 243.A N PHE 240.A O no hydrogen 2.963 N/A TYR 245.A N ASP 241.A O no hydrogen 3.160 N/A LEU 246.A N ILE 242.A O no hydrogen 2.805 N/A LEU 247.A N THR 243.A O no hydrogen 2.877 N/A GLN 248.A N TYR 245.A O no hydrogen 3.292 N/A GLY 249.A N LEU 246.A O no hydrogen 2.986 N/A ARG 250.A N LEU 246.A O no hydrogen 3.228 N/A ARG 250.A NE GLN 248.A OE1 no hydrogen 2.779 N/A ARG 250.A NH2 GLN 248.A OE1 no hydrogen 3.303 N/A ARG 251.A NE TRP 270.A O no hydrogen 3.370 N/A ARG 251.A NH1 ARG 250.A O no hydrogen 2.926 N/A ARG 251.A NH2 TRP 270.A O no hydrogen 2.872 N/A GLN 254.A NE2 CYS 258.A O no hydrogen 2.905 N/A GLN 254.A NE2 ASP 260.A OD2 no hydrogen 2.973 N/A GLU 256.A N ASN 308.A O no hydrogen 2.950 N/A CYS 258.A N PRO 255.A O no hydrogen 2.985 N/A CYS 258.A SG PRO 259.A O no hydrogen 3.586 N/A LEU 262.A N PRO 259.A O no hydrogen 2.953 N/A TYR 263.A N PRO 259.A O no hydrogen 3.016 N/A TYR 263.A OH LEU 252.A O no hydrogen 2.657 N/A GLU 264.A N ASP 260.A O no hydrogen 2.905 N/A VAL 265.A N PRO 261.A O no hydrogen 3.079 N/A MET 266.A N LEU 262.A O no hydrogen 2.922 N/A LEU 267.A N TYR 263.A O no hydrogen 2.924 N/A LYS 268.A N GLU 264.A O no hydrogen 2.987 N/A CYS 269.A N VAL 265.A O no hydrogen 2.937 N/A CYS 269.A SG VAL 265.A O no hydrogen 3.405 N/A TRP 270.A N MET 266.A O no hydrogen 3.125 N/A TRP 270.A N LEU 267.A O no hydrogen 3.226 N/A HIS 271.A N LYS 268.A O no hydrogen 3.109 N/A LYS 273.A N HIS 271.A ND1 no hydrogen 2.956 N/A GLU 275.A N GLU 275.A OE1 no hydrogen 2.755 N/A MET 276.A N LYS 273.A O no hydrogen 2.868 N/A ARG 277.A N ALA 274.A O no hydrogen 3.075 N/A ARG 277.A NE HIS 271.A O no hydrogen 2.913 N/A ARG 277.A NH1 GLU 203.A OE1 no hydrogen 3.466 N/A ARG 277.A NH1 GLU 203.A OE2 no hydrogen 2.809 N/A ARG 277.A NH1 LYS 213.A O no hydrogen 3.053 N/A ARG 277.A NH2 GLU 203.A OE1 no hydrogen 2.809 N/A ARG 277.A NH2 HIS 271.A O no hydrogen 2.945 N/A GLU 282.A N SER 279.A OG no hydrogen 2.983 N/A LEU 283.A N SER 279.A O no hydrogen 2.882 N/A VAL 284.A N PHE 280.A O no hydrogen 2.828 N/A SER 285.A N SER 281.A O no hydrogen 3.142 N/A ARG 286.A N GLU 282.A O no hydrogen 2.855 N/A ARG 286.A NE GLU 282.A OE1 no hydrogen 2.757 N/A ARG 286.A NH2 GLU 282.A OE1 no hydrogen 3.360 N/A ILE 287.A N LEU 283.A O no hydrogen 2.840 N/A SER 288.A N VAL 284.A O no hydrogen 2.884 N/A SER 288.A OG.A VAL 284.A O no hydrogen 3.235 N/A SER 288.A OG.A SER 285.A O no hydrogen 2.632 N/A ALA 289.A N SER 285.A O no hydrogen 3.196 N/A ILE 290.A N ARG 286.A O no hydrogen 3.069 N/A PHE 291.A N ILE 287.A O no hydrogen 2.804 N/A SER 292.A N SER 288.A O no hydrogen 3.078 N/A SER 292.A OG ALA 289.A O no hydrogen 2.712 N/A THR 293.A N ILE 290.A O no hydrogen 3.119 N/A THR 293.A OG1 ILE 290.A O no hydrogen 2.811 N/A PHE 294.A N PHE 291.A O no hydrogen 3.185 N/A VAL 300.A N PRO 126.A O no hydrogen 2.997 N/A THR 305.A N ASN 303.A OD1 no hydrogen 3.062 N/A THR 305.A OG1 ASN 303.A OD1 no hydrogen 2.819 N/A ASN 308.A ND2 GLU 256.A OE2 no hydrogen 2.828 N/A ASN 308.A ND2 HIS 301.A O no hydrogen 2.959 N/A LYS 310.A N GLN 254.A O no hydrogen 2.810 N/A LYS 310.A NZ ASP 260.A OD1 no hydrogen 3.216 N/A LYS 310.A NZ ASP 260.A OD2 no hydrogen 2.726 N/A