Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1lkd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N GLU 65.A O no hydrogen 2.674 N/A GLY 6.A N GLY 63.A O no hydrogen 2.759 N/A TYR 7.A N GLY 63.A O no hydrogen 3.320 N/A TYR 7.A OH GLU 114.A OE1 no hydrogen 2.646 N/A MET 8.A N ARG 48.A O no hydrogen 2.901 N/A GLY 9.A N PHE 61.A O no hydrogen 2.903 N/A PHE 10.A N ALA 50.A O no hydrogen 2.835 N/A ALA 11.A N ASP 58.A O no hydrogen 3.083 N/A VAL 12.A N GLN 52.A O no hydrogen 2.829 N/A SER 13.A N ASP 57.A OD1 no hydrogen 2.963 N/A SER 13.A OG ASP 57.A OD1 no hydrogen 3.258 N/A SER 13.A OG ASP 57.A OD2 no hydrogen 2.762 N/A ALA 17.A N ASP 14.A OD1 no hydrogen 3.042 N/A TRP 18.A N ASP 14.A O no hydrogen 3.173 N/A TRP 18.A NE1 SER 254.A OG no hydrogen 2.832 N/A ARG 19.A N VAL 15.A O no hydrogen 2.935 N/A SER 20.A N ALA 16.A O no hydrogen 3.073 N/A PHE 21.A N ALA 17.A O no hydrogen 2.949 N/A LEU 22.A N TRP 18.A O no hydrogen 2.910 N/A THR 23.A N ARG 19.A O no hydrogen 3.170 N/A THR 23.A OG1 ARG 19.A O no hydrogen 2.776 N/A THR 23.A OG1 SER 20.A O no hydrogen 3.455 N/A GLN 24.A N SER 20.A O no hydrogen 2.837 N/A LYS 25.A N PHE 21.A O no hydrogen 3.103 N/A LYS 25.A NZ ASP 230.A OD2 no hydrogen 2.763 N/A LEU 26.A N PHE 21.A O no hydrogen 3.095 N/A GLY 27.A N THR 23.A O no hydrogen 3.087 N/A LEU 28.A N LEU 22.A O no hydrogen 2.880 N/A MET 29.A N ARG 41.A O no hydrogen 2.943 N/A ALA 31.A N LEU 39.A O no hydrogen 2.877 N/A THR 33.A OG1 ASP 38.A OD2 no hydrogen 2.780 N/A THR 34.A N GLY 37.A O no hydrogen 3.082 N/A ASN 36.A N THR 34.A OG1 no hydrogen 2.983 N/A GLY 37.A N THR 34.A O no hydrogen 2.823 N/A ASP 38.A N VAL 51.A O no hydrogen 2.867 N/A LEU 39.A N GLY 32.A O no hydrogen 2.879 N/A PHE 40.A N ILE 49.A O no hydrogen 2.847 N/A ARG 41.A N MET 29.A O no hydrogen 2.834 N/A ARG 41.A NE ASP 43.A O no hydrogen 3.172 N/A ARG 41.A NE ARG 45.A O no hydrogen 3.112 N/A ARG 41.A NH1 LYS 125.A O no hydrogen 2.741 N/A ARG 41.A NH2 ASP 43.A O no hydrogen 2.947 N/A ARG 41.A NH2 LYS 125.A O no hydrogen 2.929 N/A SER 44.A OG GLU 121.A OE1 no hydrogen 2.847 N/A ARG 45.A N ASP 43.A OD1 no hydrogen 3.028 N/A ARG 45.A NH2 GLU 65.A OE1 no hydrogen 2.295 N/A ALA 46.A N SER 120.A O no hydrogen 2.909 N/A TRP 47.A NE1 ARG 97.A O no hydrogen 2.845 N/A ARG 48.A N PHE 40.A O no hydrogen 2.906 N/A ARG 48.A NE ASP 43.A OD1 no hydrogen 3.249 N/A ARG 48.A NE ASP 43.A OD2 no hydrogen 3.432 N/A ARG 48.A NH1 GLY 6.A O no hydrogen 2.929 N/A ARG 48.A NH2 ASP 43.A OD2 no hydrogen 2.896 N/A ILE 49.A N PHE 40.A O no hydrogen 3.275 N/A ALA 50.A N MET 8.A O no hydrogen 2.938 N/A VAL 51.A N ASP 38.A O no hydrogen 2.828 N/A GLN 52.A N PHE 10.A O no hydrogen 2.854 N/A GLY 54.A N VAL 12.A O no hydrogen 2.677 N/A ASP 58.A N ALA 11.A O no hydrogen 3.160 N/A LEU 59.A N ASP 58.A OD1 no hydrogen 2.601 N/A ALA 60.A N GLY 9.A O no hydrogen 2.697 N/A PHE 61.A N GLY 9.A O no hydrogen 3.298 N/A ALA 62.A N PRO 112.A O no hydrogen 3.369 N/A GLY 63.A N TYR 7.A O no hydrogen 2.911 N/A TYR 64.A N GLU 114.A O no hydrogen 2.699 N/A GLU 65.A N SER 4.A O no hydrogen 2.867 N/A VAL 66.A N TYR 116.A O no hydrogen 2.887 N/A GLY 71.A N ASP 68.A OD1 no hydrogen 2.832 N/A LEU 72.A N ASP 68.A O no hydrogen 3.052 N/A ALA 73.A N ALA 69.A O no hydrogen 2.962 N/A GLN 74.A N ALA 70.A O no hydrogen 2.974 N/A MET 75.A N GLY 71.A O no hydrogen 3.118 N/A ALA 76.A N LEU 72.A O no hydrogen 2.953 N/A ASP 77.A N ALA 73.A O no hydrogen 3.057 N/A LYS 78.A N GLN 74.A O no hydrogen 2.953 N/A LEU 79.A N MET 75.A O no hydrogen 2.916 N/A LYS 80.A N ALA 76.A O no hydrogen 3.030 N/A GLN 81.A N ASP 77.A O no hydrogen 2.849 N/A ALA 82.A N LYS 78.A O no hydrogen 3.115 N/A ALA 82.A N LEU 79.A O no hydrogen 3.101 N/A GLY 83.A N LYS 80.A O no hydrogen 2.921 N/A ILE 84.A N LEU 79.A O no hydrogen 2.962 N/A THR 87.A N THR 104.A O no hydrogen 2.919 N/A GLY 89.A N LEU 102.A O no hydrogen 2.791 N/A LEU 93.A N ASP 90.A OD1 no hydrogen 2.686 N/A ALA 94.A N ASP 90.A O no hydrogen 3.042 N/A ARG 95.A N ALA 91.A O no hydrogen 2.974 N/A ARG 96.A N SER 92.A O no hydrogen 3.054 N/A ARG 96.A NE ASP 35.A O no hydrogen 3.332 N/A ARG 97.A N LEU 93.A O no hydrogen 2.911 N/A ARG 97.A NE GLU 114.A OE1 no hydrogen 2.885 N/A ARG 97.A NE GLU 114.A OE2 no hydrogen 3.409 N/A ARG 97.A NH1 ASN 36.A OD1 no hydrogen 2.625 N/A ARG 97.A NH2 GLU 114.A OE2 no hydrogen 2.956 N/A GLY 98.A N ARG 95.A O no hydrogen 3.050 N/A VAL 99.A N ALA 94.A O no hydrogen 2.934 N/A THR 100.A N TYR 117.A O no hydrogen 3.153 N/A THR 100.A OG1 GLY 118.A O no hydrogen 2.951 N/A GLY 101.A N TYR 117.A O no hydrogen 3.474 N/A ILE 103.A N ILE 115.A O no hydrogen 2.967 N/A THR 104.A N THR 87.A O no hydrogen 2.712 N/A THR 104.A OG1 THR 87.A O no hydrogen 3.479 N/A PHE 105.A N LEU 113.A O no hydrogen 3.040 N/A ASP 107.A N LEU 111.A O no hydrogen 3.000 N/A PHE 109.A N ASP 107.A OD1 no hydrogen 2.850 N/A GLY 110.A N ASP 107.A O no hydrogen 3.091 N/A LEU 111.A N ASP 107.A OD1 no hydrogen 3.082 N/A LEU 113.A N PHE 105.A O no hydrogen 2.664 N/A GLU 114.A N ALA 62.A O no hydrogen 2.933 N/A ILE 115.A N ILE 103.A O no hydrogen 3.140 N/A TYR 116.A N TYR 64.A O no hydrogen 2.921 N/A TYR 116.A OH GLU 65.A OE1 no hydrogen 2.641 N/A TYR 117.A N GLY 101.A O no hydrogen 3.094 N/A SER 120.A OG GLY 98.A O no hydrogen 2.673 N/A VAL 122.A N SER 44.A O no hydrogen 2.794 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.655 N/A LYS 125.A N VAL 122.A O no hydrogen 2.934 N/A GLY 130.A N GLY 27.A O no hydrogen 3.090 N/A GLY 130.A N LEU 28.A O no hydrogen 3.112 N/A SER 134.A N ASP 219.A OD1 no hydrogen 2.762 N/A SER 134.A OG ASP 219.A OD1 no hydrogen 3.453 N/A SER 134.A OG ASP 219.A OD2 no hydrogen 2.555 N/A LEU 137.A N GLU 213.A O no hydrogen 2.827 N/A THR 138.A OG1 ASP 43.A OD2 no hydrogen 2.679 N/A GLN 141.A N THR 138.A O no hydrogen 2.963 N/A GLY 142.A N GLY 139.A O no hydrogen 3.069 N/A LEU 143.A N LEU 5.A O no hydrogen 2.992 N/A HIS 145.A N MET 211.A O no hydrogen 3.474 N/A VAL 147.A N HIS 209.A O no hydrogen 3.001 N/A ARG 148.A N ALA 197.A O no hydrogen 2.830 N/A ARG 148.A NE ASP 107.A OD2 no hydrogen 2.735 N/A ARG 148.A NH1 ARG 206.A O no hydrogen 3.015 N/A ARG 148.A NH2 ASP 107.A OD1 no hydrogen 3.270 N/A ARG 148.A NH2 ASP 107.A OD2 no hydrogen 3.370 N/A ARG 148.A NH2 PHE 109.A O no hydrogen 3.429 N/A CYS 149.A N ARG 206.A O no hydrogen 2.885 N/A VAL 150.A N ALA 199.A O no hydrogen 2.965 N/A LYS 155.A N ASP 152.A OD1 no hydrogen 3.134 N/A ALA 156.A N ASP 152.A O no hydrogen 3.140 N/A LEU 157.A N SER 153.A O no hydrogen 2.726 N/A ALA 158.A N ASP 154.A O no hydrogen 3.036 N/A PHE 159.A N LYS 155.A O no hydrogen 3.215 N/A TYR 160.A N ALA 156.A O no hydrogen 3.034 N/A TYR 160.A OH ASP 107.A OD2 no hydrogen 2.753 N/A THR 161.A N LEU 157.A O no hydrogen 2.894 N/A THR 161.A OG1 LEU 157.A O no hydrogen 3.044 N/A ASP 162.A N ALA 158.A O no hydrogen 2.820 N/A VAL 163.A N PHE 159.A O no hydrogen 2.957 N/A LEU 164.A N PHE 159.A O no hydrogen 3.102 N/A GLY 165.A N THR 161.A O no hydrogen 3.132 N/A PHE 166.A N TYR 160.A O no hydrogen 2.885 N/A GLN 167.A N HIS 188.A O no hydrogen 2.888 N/A GLN 167.A NE2 GLY 165.A O no hydrogen 3.263 N/A SER 169.A N PHE 186.A O no hydrogen 2.742 N/A SER 169.A OG HIS 188.A ND1 no hydrogen 2.797 N/A SER 169.A OG HIS 193.A O no hydrogen 2.587 N/A VAL 171.A N VAL 274.A O no hydrogen 3.130 N/A ILE 172.A N ALA 184.A O no hydrogen 2.981 N/A ASP 173.A N HIS 276.A O no hydrogen 2.960 N/A MET 174.A N VAL 182.A O no hydrogen 2.768 N/A LYS 175.A NZ ASP 277.A O no hydrogen 2.941 N/A MET 176.A N VAL 180.A O no hydrogen 2.699 N/A VAL 180.A N GLY 177.A O no hydrogen 2.904 N/A VAL 182.A N MET 174.A O no hydrogen 2.940 N/A ALA 184.A N ILE 172.A O no hydrogen 2.822 N/A TYR 185.A N ILE 198.A O no hydrogen 2.856 N/A PHE 186.A N ASP 170.A O no hydrogen 3.045 N/A LEU 187.A N LEU 196.A O no hydrogen 2.792 N/A HIS 188.A N GLN 167.A O no hydrogen 2.738 N/A HIS 188.A ND1 SER 169.A OG no hydrogen 2.797 N/A CYS 189.A SG THR 195.A OG1 no hydrogen 3.588 N/A ASN 190.A ND2 ARG 3.A O no hydrogen 2.811 N/A ARG 192.A N ASN 190.A OD1 no hydrogen 2.813 N/A ARG 192.A NE GLN 141.A O no hydrogen 2.907 N/A ARG 192.A NH1 GLU 213.A OE1 no hydrogen 2.901 N/A ARG 192.A NH2 LEU 137.A O no hydrogen 3.108 N/A ARG 192.A NH2 GLY 142.A O no hydrogen 3.149 N/A HIS 193.A ND1 HIS 194.A ND1 no hydrogen 2.883 N/A HIS 193.A NE2 ASP 170.A OD2 no hydrogen 2.671 N/A HIS 194.A ND1 HIS 193.A ND1 no hydrogen 2.883 N/A THR 195.A N LEU 187.A O no hydrogen 2.830 N/A LEU 196.A N LEU 187.A O no hydrogen 3.327 N/A ALA 197.A N PHE 146.A O no hydrogen 3.138 N/A ILE 198.A N TYR 185.A O no hydrogen 2.814 N/A ALA 199.A N ARG 148.A O no hydrogen 3.219 N/A LEU 203.A N PHE 201.A O no hydrogen 2.911 N/A LYS 205.A NZ VAL 56.A O no hydrogen 2.747 N/A LYS 205.A NZ ASP 57.A O no hydrogen 2.732 N/A ARG 206.A N ASP 58.A OD2 no hydrogen 2.548 N/A ARG 206.A NH1 LEU 59.A O no hydrogen 2.925 N/A HIS 208.A N VAL 147.A O no hydrogen 2.974 N/A HIS 208.A ND1 HIS 209.A ND1 no hydrogen 2.720 N/A HIS 209.A ND1 HIS 208.A ND1 no hydrogen 2.720 N/A PHE 210.A N GLU 257.A O no hydrogen 3.326 N/A MET 211.A N HIS 145.A O no hydrogen 2.618 N/A LEU 212.A N GLU 259.A O no hydrogen 2.984 N/A VAL 214.A N GLY 261.A O no hydrogen 2.784 N/A ALA 215.A N GLY 135.A O no hydrogen 2.832 N/A SER 216.A N ASP 219.A OD2 no hydrogen 3.096 N/A ASP 219.A N SER 216.A OG no hydrogen 3.134 N/A GLY 221.A N LEU 217.A O no hydrogen 2.864 N/A PHE 222.A N ASP 218.A O no hydrogen 2.848 N/A ALA 223.A N ASP 219.A O no hydrogen 3.188 N/A PHE 224.A N VAL 220.A O no hydrogen 2.886 N/A ASP 225.A N GLY 221.A O no hydrogen 3.326 N/A ARG 226.A N PHE 222.A O no hydrogen 3.065 N/A ARG 226.A NE GLN 24.A O no hydrogen 3.228 N/A ARG 226.A NE LYS 25.A O no hydrogen 2.997 N/A ARG 226.A NH2 LYS 25.A O no hydrogen 2.875 N/A VAL 227.A N ALA 223.A O no hydrogen 2.965 N/A ASP 228.A N PHE 224.A O no hydrogen 2.763 N/A ALA 229.A N ASP 225.A O no hydrogen 3.005 N/A ASP 230.A N VAL 227.A O no hydrogen 3.133 N/A GLY 231.A N ASP 228.A O no hydrogen 2.880 N/A LEU 232.A N VAL 227.A O no hydrogen 3.251 N/A THR 234.A N TYR 249.A O no hydrogen 2.885 N/A THR 234.A OG1 GLU 257.A OE1 no hydrogen 2.679 N/A SER 235.A N TYR 249.A O no hydrogen 3.348 N/A SER 235.A OG THR 236.A O no hydrogen 3.482 N/A THR 236.A N LYS 285.A O no hydrogen 2.986 N/A GLY 238.A N SER 247.A O no hydrogen 2.961 N/A ARG 239.A N TRP 282.A O no hydrogen 2.973 N/A ARG 239.A NH1 HIS 244.A O no hydrogen 2.744 N/A HIS 240.A N MET 245.A O no hydrogen 2.942 N/A HIS 240.A ND1 PRO 279.A O no hydrogen 2.925 N/A HIS 240.A NE2 GLU 259.A OE2 no hydrogen 2.619 N/A THR 241.A N PRO 279.A O no hydrogen 3.123 N/A THR 241.A OG1 SER 278.A O no hydrogen 2.763 N/A ASN 242.A ND2 ASP 170.A OD1 no hydrogen 3.082 N/A ASP 243.A N ASN 242.A OD1 no hydrogen 2.808 N/A MET 245.A N ASP 243.A OD1 no hydrogen 3.005 N/A VAL 246.A N TRP 262.A O no hydrogen 2.920 N/A SER 247.A N GLY 238.A O no hydrogen 2.851 N/A SER 247.A OG GLU 259.A OE2 no hydrogen 2.753 N/A SER 247.A OG HIS 284.A NE2 no hydrogen 3.075 N/A PHE 248.A N TYR 260.A O no hydrogen 3.281 N/A TYR 249.A OH HIS 240.A NE2 no hydrogen 2.870 N/A ALA 250.A N VAL 258.A O no hydrogen 2.998 N/A SER 251.A N LEU 232.A O no hydrogen 2.909 N/A THR 252.A N VAL 256.A O no hydrogen 2.974 N/A THR 252.A OG1 VAL 256.A O no hydrogen 2.677 N/A SER 254.A N THR 252.A OG1 no hydrogen 3.207 N/A SER 254.A OG ASP 57.A OD1 no hydrogen 2.741 N/A GLY 255.A N THR 252.A O no hydrogen 3.049 N/A GLU 257.A N HIS 208.A O no hydrogen 3.017 N/A VAL 258.A N ALA 250.A O no hydrogen 2.885 N/A GLU 259.A N PHE 210.A O no hydrogen 2.847 N/A TYR 260.A N PHE 248.A O no hydrogen 3.106 N/A TYR 260.A OH LEU 26.A O no hydrogen 2.713 N/A GLY 261.A N LEU 212.A O no hydrogen 3.093 N/A TRP 262.A N VAL 246.A O no hydrogen 2.784 N/A SER 263.A OG SER 263.A O no hydrogen 2.617 N/A ARG 265.A N ASP 243.A O no hydrogen 2.794 N/A ARG 265.A NE ASN 242.A O no hydrogen 2.866 N/A ARG 265.A NH2 ASN 242.A O no hydrogen 2.928 N/A VAL 267.A N GLU 191.A O no hydrogen 2.872 N/A SER 270.A N ASP 268.A OD2 no hydrogen 2.719 N/A SER 270.A OG ASP 268.A OD1 no hydrogen 2.680 N/A SER 270.A OG ASP 268.A OD2 no hydrogen 2.653 N/A TRP 271.A N ASP 268.A O no hydrogen 3.186 N/A TRP 271.A NE1 SER 169.A O no hydrogen 2.772 N/A ARG 275.A NH1 ASP 277.A OD2 no hydrogen 2.951 N/A ARG 275.A NH2 ASP 173.A OD2 no hydrogen 2.656 N/A ARG 275.A NH2 ASP 277.A OD1 no hydrogen 2.859 N/A HIS 276.A N VAL 171.A O no hydrogen 2.818 N/A SER 278.A OG SER 280.A O no hydrogen 3.167 N/A SER 280.A N SER 278.A OG no hydrogen 3.371 N/A SER 280.A OG HIS 284.A ND1 no hydrogen 2.714 N/A MET 281.A N ARG 239.A O no hydrogen 2.746 N/A HIS 284.A N LEU 237.A O no hydrogen 3.208 N/A HIS 284.A ND1 SER 280.A OG no hydrogen 2.714 N/A HIS 284.A NE2 SER 247.A OG no hydrogen 3.075 N/A LYS 285.A N THR 236.A OG1 no hydrogen 2.883 N/A VAL 287.A N THR 234.A O no hydrogen 3.137 N/A