Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qum_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 254.A OD1 no hydrogen 3.246 N/A LYS 2.A NZ MET 248.A O no hydrogen 3.130 N/A LYS 2.A NZ ASP 250.A O no hydrogen 2.942 N/A LYS 2.A NZ ASP 254.A OD2 no hydrogen 2.637 N/A ILE 4.A N THR 27.A OG1 no hydrogen 2.876 N/A GLY 5.A N LEU 258.A O no hydrogen 2.826 N/A HIS 7.A N LEU 260.A O no hydrogen 3.002 N/A VAL 8.A N ALA 30.A O no hydrogen 3.200 N/A ALA 11.A N SER 9.A OG.B no hydrogen 2.957 N/A GLY 13.A N ALA 10.A O no hydrogen 3.130 N/A ASN 16.A N GLY 13.A O no hydrogen 3.017 N/A ALA 17.A N LEU 14.A O no hydrogen 2.967 N/A ILE 19.A N ALA 15.A O no hydrogen 2.967 N/A ARG 20.A N ASN 16.A O no hydrogen 2.754 N/A ARG 20.A NH1 SER 9.A O no hydrogen 2.861 N/A ARG 20.A NH1 ALA 11.A O no hydrogen 2.961 N/A ARG 20.A NH2 ALA 11.A O no hydrogen 3.428 N/A ALA 21.A N ALA 17.A O no hydrogen 2.866 N/A ALA 22.A N ALA 18.A O no hydrogen 3.061 N/A GLU 23.A N ILE 19.A O no hydrogen 3.078 N/A GLU 23.A N ARG 20.A O no hydrogen 3.247 N/A ILE 24.A N ALA 21.A O no hydrogen 3.202 N/A ASP 25.A N ALA 22.A O no hydrogen 3.057 N/A ALA 26.A N ALA 21.A O no hydrogen 2.971 N/A THR 27.A N ILE 4.A O no hydrogen 2.787 N/A PHE 29.A N GLN 65.A O no hydrogen 3.060 N/A ALA 30.A N ALA 6.A O no hydrogen 3.179 N/A LYS 34.A NZ ASN 35.A O no hydrogen 2.917 N/A LYS 34.A NZ GLN 38.A O no hydrogen 3.073 N/A ARG 37.A N ASN 35.A OD1 no hydrogen 2.920 N/A THR 45.A OG1 THR 48.A OG1 no hydrogen 2.885 N/A THR 48.A N THR 45.A OG1 no hydrogen 3.045 N/A THR 48.A OG1 THR 45.A OG1 no hydrogen 2.885 N/A ILE 49.A N THR 45.A O no hydrogen 3.060 N/A ASP 50.A N THR 46.A O no hydrogen 2.827 N/A GLU 51.A N GLN 47.A O no hydrogen 2.724 N/A PHE 52.A N THR 48.A O no hydrogen 2.919 N/A LYS 53.A N ILE 49.A O no hydrogen 2.952 N/A LYS 53.A NZ GLN 100.A O no hydrogen 3.414 N/A ALA 54.A N ASP 50.A O no hydrogen 2.842 N/A ALA 55.A N GLU 51.A O no hydrogen 2.964 N/A CYS 56.A N PHE 52.A O no hydrogen 2.952 N/A CYS 56.A SG PHE 52.A O no hydrogen 3.452 N/A GLU 57.A N LYS 53.A O no hydrogen 3.048 N/A LYS 58.A N ALA 54.A O no hydrogen 2.859 N/A TYR 59.A N ALA 55.A O no hydrogen 2.988 N/A HIS 60.A N GLU 57.A O no hydrogen 3.316 N/A TYR 61.A N CYS 56.A O no hydrogen 2.920 N/A TYR 61.A OH ALA 26.A O no hydrogen 2.920 N/A THR 62.A N GLN 65.A OE1 no hydrogen 2.867 N/A THR 62.A OG1 GLN 65.A OE1 no hydrogen 2.748 N/A GLN 65.A N THR 62.A O no hydrogen 2.964 N/A GLN 65.A NE2 THR 27.A O no hydrogen 2.960 N/A GLN 65.A NE2 HIS 60.A O no hydrogen 3.380 N/A ILE 66.A N SER 63.A O no hydrogen 3.306 N/A LEU 67.A N PHE 29.A O no hydrogen 2.932 N/A HIS 69.A N LEU 31.A O no hydrogen 2.962 N/A HIS 69.A ND1 ASP 70.A O no hydrogen 2.806 N/A HIS 69.A NE2 HIS 109.A NE2 no hydrogen 2.938 N/A ASP 70.A N ASN 107.A O no hydrogen 2.904 N/A SER 71.A N GLU 94.A OE2 no hydrogen 2.784 N/A SER 71.A OG GLN 36.A O no hydrogen 3.060 N/A TYR 72.A N GLN 36.A O no hydrogen 2.867 N/A LEU 73.A N SER 71.A OG no hydrogen 3.051 N/A ASN 75.A N SER 87.A OG no hydrogen 2.803 N/A ASN 75.A ND2 SER 112.A O no hydrogen 2.928 N/A GLY 77.A N ASN 75.A OD1 no hydrogen 3.078 N/A HIS 78.A N ASN 75.A O no hydrogen 3.350 N/A VAL 80.A N HIS 78.A ND1 no hydrogen 3.003 N/A LEU 84.A N VAL 80.A O no hydrogen 2.876 N/A GLU 85.A N THR 81.A O no hydrogen 3.005 N/A LYS 86.A N GLU 82.A O no hydrogen 3.022 N/A SER 87.A N ALA 83.A O no hydrogen 2.958 N/A SER 87.A OG ASN 75.A O no hydrogen 3.425 N/A SER 87.A OG ALA 83.A O no hydrogen 3.393 N/A ARG 88.A N LEU 84.A O no hydrogen 2.924 N/A ARG 88.A NE SER 129.A OG no hydrogen 2.705 N/A ARG 88.A NH2 ARG 125.A O no hydrogen 3.021 N/A ARG 88.A NH2 SER 129.A OG no hydrogen 3.427 N/A ASP 89.A N GLU 85.A O no hydrogen 2.853 N/A ALA 90.A N LYS 86.A O no hydrogen 2.887 N/A PHE 91.A N SER 87.A O no hydrogen 2.774 N/A ILE 92.A N ARG 88.A O no hydrogen 3.008 N/A ASP 93.A N ASP 89.A O no hydrogen 3.134 N/A GLU 94.A N ALA 90.A O no hydrogen 2.962 N/A MET 95.A N PHE 91.A O no hydrogen 2.969 N/A GLN 96.A N ILE 92.A O no hydrogen 2.861 N/A ARG 97.A N ASP 93.A O no hydrogen 2.837 N/A ARG 97.A NE THR 33.A OG1 no hydrogen 3.076 N/A ARG 97.A NH1 THR 33.A O no hydrogen 2.775 N/A ARG 97.A NH2 ALA 42.A O no hydrogen 3.328 N/A CYS 98.A N GLU 94.A O no hydrogen 3.115 N/A CYS 98.A SG GLU 94.A O no hydrogen 3.583 N/A CYS 98.A SG LEU 105.A O no hydrogen 3.873 N/A GLU 99.A N MET 95.A O no hydrogen 3.015 N/A GLN 100.A N GLN 96.A O no hydrogen 2.984 N/A LEU 101.A N ARG 97.A O no hydrogen 2.982 N/A GLY 102.A N GLU 99.A O no hydrogen 3.148 N/A LEU 103.A N CYS 98.A O no hydrogen 2.811 N/A SER 104.A OG SER 63.A O no hydrogen 3.507 N/A SER 104.A OG SER 63.A OG no hydrogen 2.311 N/A LEU 106.A N THR 141.A O no hydrogen 2.985 N/A ASN 107.A N PRO 68.A O no hydrogen 2.754 N/A ASN 107.A ND2 GLU 145.A OE1 no hydrogen 3.017 N/A PHE 108.A N VAL 143.A O no hydrogen 2.956 N/A SER 112.A N ASN 75.A OD1 no hydrogen 2.801 N/A HIS 113.A N SER 152.A O no hydrogen 3.136 N/A LEU 114.A N SER 152.A OG no hydrogen 2.893 N/A MET 115.A N HIS 113.A ND1 no hydrogen 2.772 N/A GLN 116.A N HIS 113.A O no hydrogen 2.983 N/A SER 118.A OG GLU 120.A OE1 no hydrogen 2.841 N/A ASP 121.A N SER 118.A OG no hydrogen 3.147 N/A CYS 122.A N SER 118.A O no hydrogen 3.034 N/A CYS 122.A SG GLY 77.A O no hydrogen 3.451 N/A LEU 123.A N GLU 119.A O no hydrogen 2.844 N/A ALA 124.A N GLU 120.A O no hydrogen 3.078 N/A ARG 125.A N ASP 121.A O no hydrogen 2.861 N/A ILE 126.A N CYS 122.A O no hydrogen 2.925 N/A ALA 127.A N LEU 123.A O no hydrogen 2.973 N/A GLU 128.A N ALA 124.A O no hydrogen 2.982 N/A SER 129.A N ARG 125.A O no hydrogen 2.733 N/A SER 129.A OG LEU 76.A O no hydrogen 2.766 N/A SER 129.A OG ARG 125.A O no hydrogen 3.048 N/A ILE 130.A N ILE 126.A O no hydrogen 2.935 N/A ASN 131.A N ALA 127.A O no hydrogen 3.021 N/A ASN 131.A ND2 GLU 128.A OE2 no hydrogen 3.541 N/A ASN 131.A ND2 GLY 167.A O no hydrogen 2.960 N/A ILE 132.A N GLU 128.A O no hydrogen 2.896 N/A ALA 133.A N SER 129.A O no hydrogen 3.073 N/A LEU 134.A N ILE 130.A O no hydrogen 2.965 N/A ASP 135.A N ASN 131.A O no hydrogen 3.026 N/A ASP 135.A N ILE 132.A O no hydrogen 3.157 N/A LYS 136.A N ALA 133.A O no hydrogen 3.094 N/A THR 137.A OG1 ALA 133.A O no hydrogen 3.179 N/A GLN 138.A N GLU 99.A OE1 no hydrogen 2.850 N/A THR 141.A N SER 104.A O no hydrogen 2.836 N/A ALA 142.A N ARG 173.A O no hydrogen 2.776 N/A VAL 143.A N LEU 106.A O no hydrogen 2.927 N/A ILE 144.A N GLY 175.A O no hydrogen 2.772 N/A GLU 145.A N PHE 108.A O no hydrogen 2.891 N/A ASN 146.A N CYS 177.A O no hydrogen 3.188 N/A ASN 146.A ND2 ASP 179.A O no hydrogen 3.370 N/A THR 147.A N GLY 155.A O no hydrogen 2.913 N/A THR 147.A OG1.A ASN 153.A OD1 no hydrogen 3.560 N/A THR 147.A OG1.A LEU 154.A O no hydrogen 3.397 N/A THR 147.A OG1.B ASN 153.A OD1 no hydrogen 3.513 N/A THR 147.A OG1.B LEU 154.A O no hydrogen 2.764 N/A ASN 153.A N GLN 150.A O no hydrogen 2.940 N/A LEU 154.A N GLY 111.A O no hydrogen 2.986 N/A GLY 155.A N HIS 160.A ND1 no hydrogen 2.956 N/A PHE 158.A N TYR 188.A OH no hydrogen 2.904 N/A GLU 159.A N GLU 159.A OE2 no hydrogen 2.798 N/A HIS 160.A N LYS 157.A O no hydrogen 2.980 N/A ALA 162.A N PHE 158.A O no hydrogen 2.941 N/A ALA 163.A N GLU 159.A O no hydrogen 2.868 N/A ILE 164.A N HIS 160.A O no hydrogen 2.941 N/A ILE 165.A N LEU 161.A O no hydrogen 3.035 N/A ASP 166.A N ALA 162.A O no hydrogen 2.796 N/A GLY 167.A N ALA 163.A O no hydrogen 3.343 N/A GLY 167.A N ILE 164.A O no hydrogen 2.822 N/A VAL 168.A N ILE 165.A O no hydrogen 3.029 N/A GLU 169.A N ASN 131.A OD1 no hydrogen 2.899 N/A LYS 171.A NZ ILE 165.A O no hydrogen 2.950 N/A LYS 171.A NZ ASP 166.A O no hydrogen 3.524 N/A LYS 171.A NZ VAL 168.A O no hydrogen 2.684 N/A SER 172.A N ASP 170.A OD1 no hydrogen 3.081 N/A SER 172.A OG ASP 170.A OD1 no hydrogen 2.889 N/A ARG 173.A N ASP 170.A O no hydrogen 3.118 N/A ARG 173.A NE ASP 170.A OD2 no hydrogen 2.836 N/A ARG 173.A NH1 LEU 134.A O no hydrogen 2.886 N/A ARG 173.A NH1 THR 137.A O no hydrogen 2.989 N/A ARG 173.A NH2 LEU 134.A O no hydrogen 3.170 N/A ARG 173.A NH2 ASP 170.A OD2 no hydrogen 2.878 N/A GLY 175.A N ALA 142.A O no hydrogen 2.789 N/A VAL 176.A N TYR 211.A O no hydrogen 2.773 N/A CYS 177.A N ILE 144.A O no hydrogen 2.830 N/A ILE 178.A N GLY 214.A O no hydrogen 3.172 N/A ASP 179.A N ASN 146.A OD1 no hydrogen 2.806 N/A THR 180.A N HIS 216.A O no hydrogen 3.061 N/A THR 180.A OG1 HIS 216.A O no hydrogen 3.378 N/A THR 180.A OG1 ASN 218.A O no hydrogen 2.737 N/A CYS 181.A SG ARG 230.A O no hydrogen 3.520 N/A HIS 182.A N ASP 179.A OD1 no hydrogen 3.072 N/A HIS 182.A ND1 ASN 146.A O no hydrogen 2.897 N/A ALA 183.A N ASP 179.A O no hydrogen 2.922 N/A PHE 184.A N THR 180.A O no hydrogen 3.083 N/A ALA 185.A N CYS 181.A O no hydrogen 2.791 N/A ALA 186.A N HIS 182.A O no hydrogen 2.939 N/A GLY 187.A N PHE 184.A O no hydrogen 3.091 N/A TYR 188.A N ALA 183.A O no hydrogen 2.806 N/A ARG 191.A N ASP 189.A OD1 no hydrogen 2.942 N/A ARG 191.A NE ASP 189.A OD1 no hydrogen 2.894 N/A ARG 191.A NE ASP 189.A OD2 no hydrogen 3.401 N/A ARG 191.A NH1 ASP 189.A OD2 no hydrogen 2.934 N/A GLU 195.A N THR 192.A OG1 no hydrogen 3.035 N/A CYS 196.A N THR 192.A O no hydrogen 2.935 N/A CYS 196.A SG LEU 190.A O no hydrogen 3.515 N/A CYS 196.A SG THR 192.A O no hydrogen 3.560 N/A GLU 197.A N PRO 193.A O no hydrogen 2.840 N/A LYS 198.A N ALA 194.A O no hydrogen 3.067 N/A THR 199.A N GLU 195.A O no hydrogen 2.883 N/A THR 199.A OG1 ASP 189.A O no hydrogen 2.701 N/A THR 199.A OG1 GLU 195.A O no hydrogen 3.294 N/A PHE 200.A N CYS 196.A O no hydrogen 2.943 N/A ALA 201.A N GLU 197.A O no hydrogen 2.903 N/A ASP 202.A N LYS 198.A O no hydrogen 3.023 N/A PHE 203.A N THR 199.A O no hydrogen 3.021 N/A ALA 204.A N PHE 200.A O no hydrogen 2.897 N/A ARG 205.A N ALA 201.A O no hydrogen 2.980 N/A THR 206.A N ASP 202.A O no hydrogen 2.977 N/A THR 206.A N PHE 203.A O no hydrogen 3.288 N/A THR 206.A OG1.A ASP 202.A O no hydrogen 3.200 N/A THR 206.A OG1.A ASP 202.A OD1 no hydrogen 3.381 N/A THR 206.A OG1.B ASP 202.A O no hydrogen 2.745 N/A THR 206.A OG1.B PHE 203.A O no hydrogen 3.305 N/A VAL 207.A N PHE 203.A O no hydrogen 2.796 N/A GLY 208.A N PHE 203.A O no hydrogen 2.927 N/A TYR 211.A N GLY 208.A O no hydrogen 3.150 N/A LEU 212.A N PHE 209.A O no hydrogen 2.880 N/A ARG 213.A N VAL 176.A O no hydrogen 2.876 N/A MET 215.A N PRO 257.A O no hydrogen 2.976 N/A HIS 216.A N ILE 178.A O no hydrogen 2.888 N/A HIS 216.A ND1 GLU 145.A OE2 no hydrogen 3.133 N/A LEU 217.A N ILE 259.A O no hydrogen 2.764 N/A ASN 218.A N THR 180.A OG1 no hydrogen 2.972 N/A ASP 219.A N HIS 232.A O no hydrogen 3.060 N/A ALA 220.A N ASP 219.A OD1 no hydrogen 2.638 N/A LYS 221.A N ARG 230.A O no hydrogen 2.787 N/A SER 222.A OG VAL 228.A O no hydrogen 2.705 N/A GLY 225.A N PHE 184.A O no hydrogen 3.096 N/A SER 226.A N THR 223.A O no hydrogen 3.071 N/A SER 226.A OG THR 223.A O no hydrogen 2.668 N/A ARG 227.A N ALA 185.A O no hydrogen 2.785 N/A ARG 227.A NE GLY 149.A O no hydrogen 2.943 N/A ARG 227.A NH2 GLY 149.A O no hydrogen 3.225 N/A VAL 228.A N SER 226.A OG no hydrogen 3.261 N/A ASP 229.A N GLN 150.A OE1 no hydrogen 2.639 N/A ARG 230.A NH1 ASP 229.A O no hydrogen 2.608 N/A HIS 231.A ND1 GLU 261.A O no hydrogen 2.892 N/A HIS 232.A N ASP 219.A O no hydrogen 2.959 N/A SER 233.A N HIS 232.A ND1 no hydrogen 2.804 N/A LEU 234.A N GLU 271.A OE1 no hydrogen 2.835 N/A GLU 236.A N SER 233.A O no hydrogen 2.959 N/A GLY 237.A N ASP 219.A OD2 no hydrogen 3.086 N/A ASN 238.A N ALA 220.A O no hydrogen 2.854 N/A ILE 239.A N ASP 219.A OD1 no hydrogen 2.828 N/A GLY 240.A N ASP 219.A OD2 no hydrogen 3.168 N/A PHE 244.A N HIS 241.A O no hydrogen 3.110 N/A ARG 245.A N HIS 241.A O no hydrogen 3.187 N/A ARG 245.A NE GLN 278.A OE1 no hydrogen 2.694 N/A ARG 245.A NH2 GLN 278.A OE1 no hydrogen 2.896 N/A TRP 246.A N ASP 242.A O no hydrogen 2.871 N/A ILE 247.A N ALA 243.A O no hydrogen 2.903 N/A MET 248.A N PHE 244.A O no hydrogen 3.041 N/A GLN 249.A N ARG 245.A O no hydrogen 2.948 N/A GLN 249.A N TRP 246.A O no hydrogen 3.153 N/A ASP 250.A N ILE 247.A O no hydrogen 3.185 N/A ARG 252.A N ASP 250.A OD2 no hydrogen 2.807 N/A ARG 252.A NE ASP 250.A OD1 no hydrogen 3.419 N/A ARG 252.A NE ASP 250.A OD2 no hydrogen 3.051 N/A ARG 252.A NH2 ASP 250.A OD1 no hydrogen 2.986 N/A PHE 253.A N ASP 250.A O no hydrogen 3.253 N/A ASP 254.A N ASP 251.A O no hydrogen 3.280 N/A GLY 255.A N MET 1.A O no hydrogen 2.847 N/A LEU 258.A N TYR 3.A O no hydrogen 2.900 N/A ILE 259.A N MET 215.A O no hydrogen 2.847 N/A LEU 260.A N GLY 5.A O no hydrogen 2.781 N/A THR 262.A OG1 GLU 271.A OE2 no hydrogen 2.588 N/A ASP 266.A N ASN 264.A OD1 no hydrogen 2.990 N/A ILE 267.A N ASN 264.A O no hydrogen 3.066 N/A TRP 268.A N PRO 265.A O no hydrogen 3.140 N/A TRP 268.A NE1 THR 262.A OG1 no hydrogen 2.870 N/A GLU 270.A N GLU 270.A OE2 no hydrogen 2.798 N/A GLU 271.A N ILE 267.A O no hydrogen 2.868 N/A ILE 272.A N TRP 268.A O no hydrogen 2.765 N/A ALA 273.A N ALA 269.A O no hydrogen 2.947 N/A TRP 274.A N GLU 270.A O no hydrogen 2.867 N/A LEU 275.A N GLU 271.A O no hydrogen 2.837 N/A LYS 276.A N ILE 272.A O no hydrogen 3.026 N/A LYS 276.A NZ ASP 25.A O no hydrogen 2.707 N/A ALA 277.A N ALA 273.A O no hydrogen 2.944 N/A GLN 278.A N LEU 275.A O no hydrogen 3.077 N/A GLN 278.A NE2 TRP 274.A O no hydrogen 3.142 N/A GLN 279.A N LYS 276.A O no hydrogen 3.301 N/A GLN 279.A NE2 LYS 276.A O no hydrogen 3.024 N/A