Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vdg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 HIS 3.A O no hydrogen 3.301 N/A HIS 3.A ND1 ASP 2.A OD1 no hydrogen 3.050 N/A PHE 4.A N MET 12.A O no hydrogen 2.755 N/A LEU 6.A N HIS 10.A O no hydrogen 2.818 N/A SER 8.A OG HIS 10.A ND1 no hydrogen 2.827 N/A SER 8.A OG ASP 150.A OD1 no hydrogen 3.161 N/A SER 8.A OG ASP 150.A OD2 no hydrogen 2.939 N/A GLY 9.A N LEU 6.A O no hydrogen 2.762 N/A HIS 10.A N SER 8.A OG no hydrogen 3.186 N/A HIS 10.A ND1 ASP 150.A OD2 no hydrogen 2.804 N/A MET 12.A N PHE 4.A O no hydrogen 2.617 N/A ALA 14.A N ASP 2.A O no hydrogen 2.870 N/A GLY 16.A N VAL 244.A O no hydrogen 2.920 N/A LEU 17.A N HIS 41.A O no hydrogen 2.692 N/A GLY 18.A N PRO 246.A O no hydrogen 2.888 N/A THR 19.A OG1 ASP 43.A O no hydrogen 2.654 N/A THR 19.A OG1 THR 44.A OG1 no hydrogen 2.784 N/A ARG 21.A NH1 GLU 209.A OE1 no hydrogen 3.497 N/A ARG 21.A NH1 GLU 209.A OE2 no hydrogen 2.428 N/A ARG 21.A NH2 GLU 209.A OE1 no hydrogen 2.736 N/A ALA 22.A N THR 19.A O no hydrogen 3.268 N/A SER 24.A OG ASP 25.A OD1 no hydrogen 3.197 N/A THR 26.A N GLY 23.A O no hydrogen 3.260 N/A THR 26.A OG1 GLY 23.A O no hydrogen 2.594 N/A HIS 28.A NE2 ASP 251.A OD2 no hydrogen 2.471 N/A SER 29.A N ASP 25.A O no hydrogen 2.743 N/A SER 29.A OG ASP 25.A O no hydrogen 3.209 N/A VAL 30.A N THR 26.A O no hydrogen 2.962 N/A ARG 31.A N ALA 27.A O no hydrogen 3.062 N/A THR 32.A N HIS 28.A O no hydrogen 2.892 N/A THR 32.A OG1 HIS 28.A O no hydrogen 2.720 N/A THR 32.A OG1 ASP 251.A OD1 no hydrogen 3.160 N/A ALA 33.A N SER 29.A O no hydrogen 2.967 N/A ILE 34.A N VAL 30.A O no hydrogen 3.106 N/A THR 35.A N ARG 31.A O no hydrogen 2.817 N/A THR 35.A OG1 ARG 31.A O no hydrogen 2.969 N/A ALA 37.A N THR 32.A O no hydrogen 2.941 N/A TYR 39.A N ALA 33.A O no hydrogen 2.818 N/A TYR 39.A OH ILE 254.A O no hydrogen 2.469 N/A ARG 40.A NH1 ILE 34.A O no hydrogen 2.831 N/A ARG 40.A NH1 TYR 39.A O no hydrogen 3.024 N/A HIS 41.A ND1 PRO 13.A O no hydrogen 2.975 N/A VAL 42.A N PHE 72.A O no hydrogen 2.830 N/A ASP 43.A N LEU 17.A O no hydrogen 2.901 N/A THR 44.A N THR 74.A O no hydrogen 2.858 N/A THR 44.A OG1 THR 19.A OG1 no hydrogen 2.784 N/A ALA 45.A N THR 44.A OG1 no hydrogen 2.845 N/A TYR 48.A N ALA 45.A O no hydrogen 3.149 N/A GLY 49.A N ALA 46.A O no hydrogen 2.980 N/A VAL 54.A N VAL 50.A O no hydrogen 2.859 N/A GLY 55.A N GLU 51.A O no hydrogen 2.634 N/A LYS 56.A N LYS 52.A O no hydrogen 3.067 N/A LYS 56.A NZ GLU 53.A OE2 no hydrogen 2.908 N/A GLY 57.A N GLU 53.A O no hydrogen 2.866 N/A LEU 58.A N VAL 54.A O no hydrogen 2.841 N/A LYS 59.A N GLY 55.A O no hydrogen 2.909 N/A LYS 59.A NZ GLU 63.A OE1 no hydrogen 3.278 N/A ALA 60.A N LYS 56.A O no hydrogen 2.985 N/A ALA 61.A N GLY 57.A O no hydrogen 3.006 N/A MET 62.A N LEU 58.A O no hydrogen 2.870 N/A GLU 63.A N LYS 59.A O no hydrogen 2.857 N/A ALA 64.A N ALA 60.A O no hydrogen 2.918 N/A GLY 65.A N MET 62.A O no hydrogen 3.057 N/A ILE 66.A N ALA 61.A O no hydrogen 3.279 N/A ARG 68.A NH1 ARG 68.A O no hydrogen 2.733 N/A ARG 68.A NH1 LEU 71.A O no hydrogen 2.912 N/A ARG 68.A NH1 ASP 104.A OD2 no hydrogen 3.293 N/A ARG 68.A NH2 TYR 102.A O no hydrogen 3.005 N/A ARG 68.A NH2 ASP 104.A OD2 no hydrogen 2.742 N/A LYS 69.A NZ ASP 67.A OD2 no hydrogen 3.470 N/A ASP 70.A N ASP 67.A O no hydrogen 2.869 N/A LEU 71.A N ARG 68.A O no hydrogen 2.945 N/A PHE 72.A N ARG 40.A O no hydrogen 2.753 N/A VAL 73.A N ASP 104.A OD2 no hydrogen 2.738 N/A THR 74.A N VAL 42.A O no hydrogen 2.881 N/A SER 75.A N LEU 105.A O no hydrogen 2.960 N/A SER 75.A OG GLU 51.A OE2 no hydrogen 2.489 N/A LYS 76.A NZ ASP 43.A OD1 no hydrogen 3.419 N/A LYS 76.A NZ ASP 43.A OD2 no hydrogen 2.579 N/A LYS 76.A NZ THR 44.A O no hydrogen 2.729 N/A LYS 76.A NZ TYR 48.A OH no hydrogen 2.850 N/A ILE 77.A N HIS 107.A O no hydrogen 2.816 N/A ASN 81.A N TRP 78.A O no hydrogen 2.708 N/A LEU 82.A N CYS 79.A O no hydrogen 3.004 N/A ARG 86.A N ALA 83.A O no hydrogen 2.794 N/A ARG 86.A NE ASN 81.A OD1 no hydrogen 3.566 N/A ARG 86.A NH1 ASP 116.A OD2 no hydrogen 3.191 N/A ARG 86.A NH2 ASP 116.A OD1 no hydrogen 2.514 N/A ARG 86.A NH2 ASP 116.A OD2 no hydrogen 3.145 N/A VAL 87.A N PRO 84.A O no hydrogen 3.288 N/A ARG 88.A NH1 ASP 145.A OD2 no hydrogen 3.042 N/A ARG 88.A NH2 ASP 145.A OD2 no hydrogen 2.709 N/A ALA 90.A N ARG 86.A O no hydrogen 3.258 N/A LEU 91.A N VAL 87.A O no hydrogen 3.131 N/A GLU 92.A N ARG 88.A O no hydrogen 2.849 N/A ASN 93.A N PRO 89.A O no hydrogen 2.853 N/A THR 94.A N ALA 90.A O no hydrogen 2.887 N/A THR 94.A OG1 GLU 51.A OE1 no hydrogen 2.764 N/A THR 94.A OG1 ALA 90.A O no hydrogen 3.519 N/A LEU 95.A N LEU 91.A O no hydrogen 2.768 N/A LYS 96.A N GLU 92.A O no hydrogen 2.977 N/A ASP 97.A N ASN 93.A O no hydrogen 2.843 N/A LEU 98.A N THR 94.A O no hydrogen 2.816 N/A GLN 99.A N LYS 96.A O no hydrogen 3.189 N/A LEU 100.A N LEU 95.A O no hydrogen 2.952 N/A ILE 103.A N LEU 147.A O no hydrogen 3.072 N/A ASP 104.A N VAL 73.A O no hydrogen 2.866 N/A LEU 105.A N VAL 73.A O no hydrogen 3.261 N/A TYR 106.A N ASP 150.A O no hydrogen 3.010 N/A HIS 107.A N SER 75.A O no hydrogen 2.924 N/A ILE 108.A N GLY 152.A O no hydrogen 2.841 N/A HIS 109.A N ILE 77.A O no hydrogen 3.088 N/A PHE 112.A N TRP 110.A O no hydrogen 2.840 N/A LEU 114.A N CYS 79.A O no hydrogen 3.238 N/A LYS 115.A N GLU 126.A O no hydrogen 2.759 N/A ALA 118.A N LYS 115.A O no hydrogen 3.147 N/A HIS 119.A N GLU 126.A OE1 no hydrogen 2.724 N/A HIS 119.A ND1 GLU 126.A OE1 no hydrogen 3.289 N/A HIS 119.A ND1 GLU 126.A OE2 no hydrogen 2.644 N/A GLU 123.A N GLU 126.A OE1 no hydrogen 2.769 N/A GLU 126.A N GLU 123.A O no hydrogen 3.044 N/A LEU 128.A N ARG 113.A O no hydrogen 2.828 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.805 N/A GLY 134.A N ASP 131.A OD1 no hydrogen 2.937 N/A VAL 135.A N ASP 131.A O no hydrogen 2.854 N/A TRP 136.A N MET 132.A O no hydrogen 2.676 N/A TRP 136.A NE1 ILE 170.A O no hydrogen 2.810 N/A LYS 137.A N GLU 133.A O no hydrogen 2.953 N/A GLU 138.A N GLY 134.A O no hydrogen 3.406 N/A MET 139.A N VAL 135.A O no hydrogen 3.015 N/A GLU 140.A N TRP 136.A O no hydrogen 2.772 N/A ASN 141.A N LYS 137.A O no hydrogen 3.104 N/A ASN 141.A ND2 GLU 138.A OE1 no hydrogen 2.794 N/A LEU 142.A N GLU 138.A O no hydrogen 3.075 N/A LEU 142.A N MET 139.A O no hydrogen 3.072 N/A VAL 143.A N GLU 140.A O no hydrogen 2.959 N/A LYS 144.A N GLU 140.A O no hydrogen 2.988 N/A LYS 144.A NZ ASP 145.A OD1 no hydrogen 2.959 N/A ASP 145.A N ASN 141.A O no hydrogen 3.039 N/A GLY 146.A N VAL 143.A O no hydrogen 2.978 N/A LEU 147.A N LEU 142.A O no hydrogen 2.892 N/A VAL 148.A N LEU 142.A O no hydrogen 3.243 N/A LYS 149.A N ILE 103.A O no hydrogen 2.956 N/A ASP 150.A N ASP 104.A O no hydrogen 2.799 N/A GLY 152.A N TYR 106.A O no hydrogen 2.806 N/A VAL 153.A N VAL 174.A O no hydrogen 3.113 N/A CYS 154.A N ILE 108.A O no hydrogen 2.824 N/A ASN 155.A N GLN 176.A O no hydrogen 3.203 N/A ASN 155.A ND2 HIS 109.A O no hydrogen 2.948 N/A THR 157.A OG1 ASP 305.A OD2 no hydrogen 2.540 N/A VAL 158.A N GLU 307.A OE1 no hydrogen 2.723 N/A THR 159.A N GLU 307.A OE2 no hydrogen 2.835 N/A THR 159.A OG1 GLU 307.A OE2 no hydrogen 2.692 N/A LYS 160.A N THR 157.A OG1 no hydrogen 3.037 N/A LYS 160.A NZ VAL 303.A O no hydrogen 3.065 N/A LYS 160.A NZ ASP 305.A OD2 no hydrogen 3.053 N/A LEU 161.A N THR 157.A O no hydrogen 2.853 N/A ASN 162.A N VAL 158.A O no hydrogen 2.768 N/A ARG 163.A N THR 159.A O no hydrogen 3.004 N/A ARG 163.A NE GLU 133.A OE1 no hydrogen 3.415 N/A ARG 163.A NE GLU 133.A OE2 no hydrogen 2.829 N/A ARG 163.A NH2 PHE 130.A O no hydrogen 3.431 N/A ARG 163.A NH2 GLU 133.A OE1 no hydrogen 2.642 N/A LEU 164.A N LYS 160.A O no hydrogen 2.851 N/A LEU 165.A N LEU 161.A O no hydrogen 2.803 N/A ARG 166.A N ASN 162.A O no hydrogen 2.979 N/A SER 167.A N LEU 164.A O no hydrogen 3.016 N/A ALA 168.A N LEU 164.A O no hydrogen 2.682 N/A LYS 169.A N GLU 140.A OE2 no hydrogen 2.670 N/A ILE 170.A N GLU 140.A OE2 no hydrogen 2.883 N/A ALA 173.A N ILE 151.A O no hydrogen 2.679 N/A CYS 175.A N HIS 198.A O no hydrogen 2.716 N/A CYS 175.A SG VAL 153.A O no hydrogen 4.000 N/A GLN 176.A N VAL 153.A O no hydrogen 2.901 N/A GLN 176.A NE2 ASP 43.A OD1 no hydrogen 3.049 N/A MET 177.A N THR 200.A O no hydrogen 2.875 N/A MET 179.A N TYR 202.A O no hydrogen 3.143 N/A HIS 180.A N TRP 183.A O no hydrogen 3.081 N/A HIS 180.A ND1 PRO 181.A O no hydrogen 2.906 N/A HIS 180.A NE2 GLU 178.A OE2 no hydrogen 2.659 N/A TRP 183.A N HIS 180.A O no hydrogen 2.722 N/A LYS 184.A N ASP 278.A OD1 no hydrogen 2.824 N/A LYS 184.A NZ CYS 274.A O no hydrogen 2.556 N/A LYS 184.A NZ ASP 278.A OD1 no hydrogen 2.913 N/A LYS 184.A NZ ASP 278.A OD2 no hydrogen 3.484 N/A ILE 188.A N ASN 185.A OD1 no hydrogen 3.110 N/A PHE 189.A N ASN 185.A O no hydrogen 3.289 N/A GLU 190.A N ASP 186.A O no hydrogen 2.931 N/A ALA 191.A N LYS 187.A O no hydrogen 3.330 N/A CYS 192.A N ILE 188.A O no hydrogen 2.850 N/A CYS 192.A SG ILE 188.A O no hydrogen 3.333 N/A LYS 193.A N PHE 189.A O no hydrogen 2.678 N/A LYS 194.A N GLU 190.A O no hydrogen 3.070 N/A HIS 195.A N CYS 192.A O no hydrogen 2.921 N/A GLY 196.A N LYS 193.A O no hydrogen 3.022 N/A ILE 197.A N CYS 192.A O no hydrogen 2.841 N/A HIS 198.A N ALA 173.A O no hydrogen 3.128 N/A HIS 198.A NE2 SER 243.A OG no hydrogen 2.580 N/A THR 200.A N CYS 175.A O no hydrogen 3.033 N/A THR 200.A OG1 SER 243.A OG no hydrogen 2.816 N/A ALA 201.A N SER 243.A O no hydrogen 2.878 N/A TYR 202.A N MET 177.A O no hydrogen 2.801 N/A TYR 202.A OH ASN 155.A OD1 no hydrogen 2.562 N/A GLY 206.A N SER 203.A O no hydrogen 3.009 N/A SER 207.A OG GLU 209.A OE1 no hydrogen 3.163 N/A SER 208.A OG GLU 209.A OE1 no hydrogen 3.045 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.694 N/A LYS 210.A N GLY 206.A O no hydrogen 2.993 N/A ASN 211.A N SER 208.A O no hydrogen 3.337 N/A ASN 211.A ND2 SER 207.A O no hydrogen 2.878 N/A LEU 212.A N LEU 205.A O no hydrogen 2.754 N/A ALA 213.A N ASN 211.A OD1 no hydrogen 2.995 N/A ASP 215.A N LEU 212.A O no hydrogen 2.968 N/A VAL 217.A N ASP 215.A OD1 no hydrogen 2.884 N/A GLU 219.A N ASP 215.A O no hydrogen 2.750 N/A LYS 220.A N PRO 216.A O no hydrogen 2.797 N/A VAL 221.A N VAL 217.A O no hydrogen 3.324 N/A ALA 222.A N VAL 218.A O no hydrogen 2.914 N/A ASN 223.A N GLU 219.A O no hydrogen 2.866 N/A LYS 224.A N LYS 220.A O no hydrogen 3.309 N/A LYS 224.A NZ ASP 269.A OD1 no hydrogen 2.719 N/A LYS 224.A NZ ASP 269.A OD2 no hydrogen 3.144 N/A LEU 225.A N VAL 221.A O no hydrogen 3.137 N/A LEU 225.A N ALA 222.A O no hydrogen 3.244 N/A LYS 227.A N ALA 222.A O no hydrogen 2.963 N/A THR 228.A N GLN 231.A OE1 no hydrogen 2.825 N/A THR 228.A OG1 GLU 256.A OE2 no hydrogen 2.383 N/A GLN 231.A N THR 228.A OG1 no hydrogen 3.025 N/A GLN 231.A NE2 GLU 256.A O no hydrogen 3.071 N/A VAL 232.A N THR 228.A O no hydrogen 3.047 N/A LEU 233.A N PRO 229.A O no hydrogen 2.921 N/A ILE 234.A N GLY 230.A O no hydrogen 2.921 N/A LYS 235.A N GLN 231.A O no hydrogen 2.755 N/A LYS 235.A NZ VAL 260.A O no hydrogen 2.839 N/A LYS 235.A NZ TRP 263.A O no hydrogen 3.034 N/A TRP 236.A N VAL 232.A O no hydrogen 2.752 N/A ALA 237.A N LEU 233.A O no hydrogen 3.429 N/A LEU 238.A N ILE 234.A O no hydrogen 3.309 N/A GLN 239.A N LYS 235.A O no hydrogen 2.819 N/A GLN 239.A NE2 ILE 265.A O no hydrogen 3.068 N/A ARG 240.A N TRP 236.A O no hydrogen 2.999 N/A ARG 240.A NH1 LYS 184.A O no hydrogen 3.493 N/A ARG 240.A NH2 LYS 184.A O no hydrogen 2.845 N/A ARG 240.A NH2 ASP 186.A OD1 no hydrogen 2.841 N/A GLY 241.A N LEU 238.A O no hydrogen 2.820 N/A THR 242.A N ALA 237.A O no hydrogen 3.161 N/A THR 242.A OG1 ALA 237.A O no hydrogen 3.235 N/A THR 242.A OG1 SER 243.A O no hydrogen 2.869 N/A SER 243.A N ILE 199.A O no hydrogen 3.067 N/A SER 243.A OG HIS 198.A NE2 no hydrogen 2.580 N/A SER 243.A OG ILE 199.A O no hydrogen 3.462 N/A SER 243.A OG THR 200.A OG1 no hydrogen 2.816 N/A VAL 244.A N ALA 14.A O no hydrogen 2.787 N/A ILE 245.A N ALA 201.A O no hydrogen 3.299 N/A LYS 247.A NZ ARG 21.A O no hydrogen 3.228 N/A SER 248.A OG LYS 250.A O no hydrogen 3.478 N/A LYS 250.A N SER 248.A OG no hydrogen 2.938 N/A ILE 254.A N LYS 250.A O no hydrogen 2.821 N/A LYS 255.A N ASP 251.A O no hydrogen 2.995 N/A LYS 255.A NZ GLU 36.A O no hydrogen 3.417 N/A GLU 256.A N GLU 252.A O no hydrogen 2.763 N/A ASN 257.A N ARG 253.A O no hydrogen 2.744 N/A ILE 258.A N LYS 255.A O no hydrogen 3.366 N/A GLN 259.A N GLU 256.A O no hydrogen 3.088 N/A GLN 259.A NE2 LYS 255.A O no hydrogen 2.620 N/A TRP 263.A NE1 GLN 259.A O no hydrogen 3.178 N/A ILE 265.A N GLN 239.A OE1 no hydrogen 2.577 N/A PHE 270.A N PRO 266.A O no hydrogen 2.848 N/A LYS 271.A N GLU 267.A O no hydrogen 2.840 N/A VAL 272.A N GLU 268.A O no hydrogen 3.085 N/A LEU 273.A N ASP 269.A O no hydrogen 2.904 N/A CYS 274.A N PHE 270.A O no hydrogen 2.772 N/A CYS 274.A SG PHE 270.A O no hydrogen 3.369 N/A SER 275.A N LYS 271.A O no hydrogen 2.889 N/A SER 275.A OG LYS 271.A O no hydrogen 2.795 N/A ILE 276.A N LEU 273.A O no hydrogen 3.284 N/A LYS 277.A NZ ASP 278.A O no hydrogen 3.266 N/A GLU 279.A N GLY 182.A O no hydrogen 2.917 N/A LYS 280.A N GLY 182.A O no hydrogen 2.746 N/A ARG 281.A NH1 ASN 308.A OD1 no hydrogen 2.582 N/A ARG 281.A NH2 ASN 308.A OD1 no hydrogen 2.984 N/A VAL 282.A N GLU 178.A OE1 no hydrogen 3.206 N/A VAL 282.A N GLU 178.A OE2 no hydrogen 2.681 N/A LEU 283.A N GLU 178.A OE1 no hydrogen 3.019 N/A THR 284.A OG1 GLU 286.A OE2 no hydrogen 3.018 N/A GLU 286.A N THR 284.A OG1 no hydrogen 3.062 N/A LEU 288.A N GLY 285.A O no hydrogen 2.896 N/A PHE 289.A N GLY 285.A O no hydrogen 2.787 N/A VAL 290.A N GLU 286.A O no hydrogen 3.011 N/A ASN 291.A ND2 PRO 122.A O no hydrogen 2.854 N/A HIS 294.A N ASN 291.A OD1 no hydrogen 2.654 N/A GLY 295.A N ASN 291.A O no hydrogen 2.762 N/A ARG 298.A N ASP 302.A OD2 no hydrogen 2.764 N/A ARG 298.A NH1 LYS 292.A O no hydrogen 3.016 N/A ARG 298.A NH1 THR 293.A O no hydrogen 2.845 N/A VAL 303.A N SER 299.A O no hydrogen 3.311 N/A TRP 304.A N ALA 300.A O no hydrogen 3.014 N/A TRP 304.A N ARG 301.A O no hydrogen 3.184 N/A TRP 304.A NE1 THR 284.A O no hydrogen 2.845 N/A ASP 305.A N ASP 302.A O no hydrogen 3.412 N/A HIS 306.A N ARG 301.A O no hydrogen 2.774 N/A HIS 306.A NE2 ASP 302.A OD1 no hydrogen 2.624 N/A GLU 307.A N TRP 304.A O no hydrogen 2.836 N/A