Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pva_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 LYS 212.A O no hydrogen 3.523 N/A TYR 4.A N LEU 293.A O no hydrogen 2.922 N/A PHE 5.A N ASN 2.A O no hydrogen 3.037 N/A SER 8.A OG.B LEU 250.A O no hydrogen 2.871 N/A SER 9.A N GLN 6.A O no hydrogen 2.861 N/A TRP 10.A NE1 GLY 7.A O no hydrogen 2.833 N/A LYS 11.A N GLN 6.A OE1 no hydrogen 3.061 N/A TRP 12.A N ASN 263.A O no hydrogen 3.134 N/A TRP 12.A NE1 TRP 258.A O no hydrogen 2.842 N/A VAL 13.A N THR 323.A O no hydrogen 3.015 N/A SER 14.A N VAL 265.A O no hydrogen 2.888 N/A SER 14.A OG THR 15.A O no hydrogen 2.762 N/A SER 14.A OG TYR 301.A OH no hydrogen 2.722 N/A SER 14.A OG LEU 321.A O no hydrogen 3.491 N/A THR 15.A N LEU 321.A O no hydrogen 2.887 N/A THR 15.A OG1 GLY 16.A O no hydrogen 2.719 N/A THR 15.A OG1 LEU 321.A O no hydrogen 3.416 N/A LEU 18.A N LEU 319.A O no hydrogen 2.716 N/A VAL 19.A N LEU 319.A O no hydrogen 3.269 N/A PHE 20.A N ASN 68.A OD1 no hydrogen 2.863 N/A LYS 22.A NZ ASN 68.A O no hydrogen 3.074 N/A LYS 22.A NZ ALA 70.A O no hydrogen 2.701 N/A ARG 26.A N ASP 24.A OD1 no hydrogen 3.091 N/A ARG 26.A NH1 ASP 76.A OD1 no hydrogen 3.434 N/A ARG 26.A NH1 ASP 76.A OD2 no hydrogen 2.789 N/A ARG 26.A NH2 ASP 76.A OD1 no hydrogen 3.018 N/A ASN 27.A N ASP 24.A O no hydrogen 3.167 N/A ALA 29.A N ALA 50.A O no hydrogen 2.887 N/A GLY 30.A N ALA 50.A O no hydrogen 3.018 N/A ILE 31.A N TRP 317.A O no hydrogen 3.064 N/A LYS 32.A N SER 48.A O no hydrogen 2.931 N/A LYS 32.A NZ TYR 55.A OH no hydrogen 2.920 N/A ASP 33.A N GLN 302.A OE1 no hydrogen 2.764 N/A THR 35.A N PHE 46.A O no hydrogen 2.871 N/A THR 35.A OG1 GLU 279.A OE1 no hydrogen 2.732 N/A THR 35.A OG1 GLU 279.A OE2 no hydrogen 3.152 N/A VAL 37.A N HIS 44.A O no hydrogen 3.075 N/A LEU 38.A N ARG 282.A O no hydrogen 2.881 N/A ILE 39.A N THR 42.A O no hydrogen 2.889 N/A THR 42.A N ILE 39.A O no hydrogen 2.942 N/A TYR 43.A N PHE 61.A O no hydrogen 2.807 N/A HIS 44.A N VAL 37.A O no hydrogen 2.859 N/A HIS 44.A ND1 TYR 58.A OH no hydrogen 2.698 N/A VAL 45.A N PHE 59.A O no hydrogen 2.866 N/A PHE 46.A N THR 35.A O no hydrogen 2.933 N/A ALA 47.A N VAL 57.A O no hydrogen 3.029 N/A SER 48.A N LYS 32.A O no hydrogen 2.888 N/A SER 48.A OG ASP 33.A OD1 no hydrogen 2.717 N/A SER 48.A OG ASP 33.A OD2 no hydrogen 3.360 N/A THR 49.A N ASN 56.A O no hydrogen 2.834 N/A ALA 50.A N GLY 30.A O no hydrogen 2.974 N/A LYS 51.A N GLY 54.A O no hydrogen 3.141 N/A LYS 51.A NZ ARG 26.A O no hydrogen 2.808 N/A SER 52.A OG GLU 311.A OE1 no hydrogen 3.390 N/A GLY 54.A N LYS 51.A O no hydrogen 3.062 N/A TYR 55.A OH ASN 313.A OD1 no hydrogen 2.723 N/A ASN 56.A N THR 49.A O no hydrogen 3.298 N/A ASN 56.A ND2 GLY 81.A O no hydrogen 3.179 N/A ASN 56.A ND2 GLY 83.A O no hydrogen 2.836 N/A TYR 58.A N TYR 73.A O no hydrogen 2.933 N/A TYR 58.A OH HIS 44.A ND1 no hydrogen 2.698 N/A PHE 59.A N VAL 45.A O no hydrogen 2.987 N/A ASN 60.A ND2 TYR 58.A OH no hydrogen 2.969 N/A PHE 61.A N TYR 43.A O no hydrogen 3.064 N/A ALA 65.A N ASP 63.A OD1 no hydrogen 2.911 N/A GLU 66.A N ASP 63.A O no hydrogen 2.827 N/A ALA 67.A N PHE 64.A O no hydrogen 3.202 N/A ASN 69.A N GLU 66.A O no hydrogen 2.979 N/A ASN 69.A ND2 GLU 66.A OE1 no hydrogen 2.959 N/A ALA 70.A N ALA 67.A O no hydrogen 3.033 N/A TYR 73.A N TYR 58.A O no hydrogen 2.820 N/A TYR 74.A OH ASP 24.A OD2 no hydrogen 2.668 N/A GLN 77.A N TYR 74.A O no hydrogen 2.990 N/A GLN 77.A NE2 ASP 76.A OD1 no hydrogen 2.982 N/A ALA 78.A N LEU 75.A O no hydrogen 2.971 N/A LEU 80.A N TRP 122.A O no hydrogen 3.041 N/A ARG 85.A N TYR 55.A O no hydrogen 3.273 N/A ARG 85.A NE LEU 80.A O no hydrogen 3.007 N/A ARG 85.A NE GLY 81.A O no hydrogen 3.124 N/A ARG 85.A NH1 TYR 84.A O no hydrogen 2.958 N/A ARG 85.A NH2 LEU 80.A O no hydrogen 2.898 N/A ALA 86.A N GLN 104.A O no hydrogen 3.060 N/A ALA 87.A N SER 48.A OG no hydrogen 2.905 N/A GLN 89.A N VAL 102.A O no hydrogen 2.786 N/A GLN 89.A NE2 VAL 149.A O no hydrogen 2.886 N/A VAL 90.A N THR 35.A OG1 no hydrogen 2.969 N/A PHE 91.A N TYR 100.A O no hydrogen 3.096 N/A TYR 92.A N THR 285.A O no hydrogen 2.823 N/A PHE 93.A N LEU 98.A O no hydrogen 2.855 N/A GLU 94.A N GLN 287.A OE1 no hydrogen 2.972 N/A HIS 96.A N PHE 93.A O no hydrogen 2.980 N/A HIS 96.A ND1 TYR 100.A OH no hydrogen 2.735 N/A LYS 97.A N GLU 94.A O no hydrogen 3.061 N/A LYS 97.A NZ GLU 94.A O no hydrogen 3.061 N/A LYS 97.A NZ GLU 94.A OE2 no hydrogen 2.885 N/A TRP 99.A N ASN 113.A O no hydrogen 2.867 N/A TYR 100.A N PHE 91.A O no hydrogen 2.831 N/A TYR 100.A OH HIS 96.A ND1 no hydrogen 2.735 N/A LEU 101.A N SER 111.A O no hydrogen 2.886 N/A VAL 102.A N GLN 89.A O no hydrogen 2.848 N/A TYR 103.A N ALA 109.A O no hydrogen 2.985 N/A TYR 103.A OH SER 111.A OG no hydrogen 2.594 N/A GLN 104.A N ALA 86.A O no hydrogen 3.016 N/A GLN 104.A NE2 TYR 84.A OH no hydrogen 2.958 N/A ASN 105.A N ASN 107.A O no hydrogen 3.033 N/A ASN 107.A N ASN 105.A OD1 no hydrogen 2.997 N/A ASN 107.A ND2 TYR 129.A O no hydrogen 2.971 N/A ALA 108.A N ASN 107.A OD1 no hydrogen 2.718 N/A ALA 109.A N TYR 103.A O no hydrogen 2.823 N/A TYR 110.A N GLU 126.A O.A no hydrogen 2.965 N/A TYR 110.A N GLU 126.A O.B no hydrogen 2.861 N/A TYR 110.A OH GLU 126.A OE1.A no hydrogen 3.218 N/A SER 111.A N LEU 101.A O no hydrogen 2.916 N/A SER 111.A OG TYR 103.A OH no hydrogen 2.594 N/A SER 111.A OG THR 123.A O no hydrogen 2.646 N/A THR 112.A N THR 123.A OG1 no hydrogen 2.890 N/A ASN 113.A N TRP 99.A O no hydrogen 3.030 N/A ASN 113.A ND2 ASP 118.A O no hydrogen 2.796 N/A ASP 115.A N ASN 113.A OD1 no hydrogen 2.961 N/A ASN 117.A N ASP 115.A OD1 no hydrogen 2.982 N/A ASN 117.A ND2 ASP 115.A OD1 no hydrogen 3.237 N/A ASP 118.A N ASP 115.A O no hydrogen 2.900 N/A LYS 121.A N ASP 118.A O no hydrogen 3.163 N/A LYS 121.A NZ SER 120.A OG no hydrogen 3.283 N/A THR 123.A N THR 112.A O no hydrogen 3.265 N/A GLU 126.A N.A TYR 110.A O no hydrogen 3.021 N/A GLU 126.A N.B TYR 110.A O no hydrogen 3.029 N/A PHE 128.A N ALA 108.A O no hydrogen 2.871 N/A TYR 129.A OH SER 176.A OG no hydrogen 2.639 N/A GLY 132.A N TYR 129.A O no hydrogen 3.005 N/A LYS 134.A NZ ASP 138.A OD2 no hydrogen 2.783 N/A ILE 135.A N GLU 188.A OE1.B no hydrogen 3.003 N/A ALA 137.A N PRO 133.A O no hydrogen 2.951 N/A ASP 138.A N LYS 134.A O no hydrogen 2.806 N/A ASN 139.A N ILE 136.A O no hydrogen 3.084 N/A ASN 139.A ND2 ILE 135.A O no hydrogen 2.826 N/A GLY 143.A N ILE 140.A O no hydrogen 2.816 N/A TYR 144.A N ASP 168.A O no hydrogen 2.962 N/A TRP 145.A NE1 SER 166.A OG no hydrogen 2.922 N/A VAL 146.A N SER 167.A O no hydrogen 2.960 N/A ASP 147.A N GLN 104.A OE1 no hydrogen 2.828 N/A TRP 148.A NE1 ILE 208.A O no hydrogen 2.934 N/A VAL 149.A N GLN 89.A OE1 no hydrogen 2.895 N/A VAL 150.A N HIS 163.A O no hydrogen 3.013 N/A CYS 151.A N GLN 287.A O no hydrogen 2.962 N/A ASP 152.A N LEU 161.A O no hydrogen 2.935 N/A GLU 154.A N ASP 152.A OD1 no hydrogen 3.001 N/A ASN 158.A N ASP 156.A OD1 no hydrogen 2.933 N/A LYS 159.A N ASP 156.A O no hydrogen 3.033 N/A ALA 160.A N ASP 156.A O no hydrogen 2.734 N/A LEU 161.A N ASP 152.A OD2 no hydrogen 3.008 N/A CYS 162.A N THR 178.A O no hydrogen 2.798 N/A HIS 163.A N VAL 150.A O no hydrogen 2.863 N/A LEU 164.A N SER 176.A O no hydrogen 2.872 N/A PHE 165.A N TRP 148.A O no hydrogen 2.798 N/A SER 166.A N TYR 174.A O no hydrogen 3.080 N/A SER 167.A N VAL 146.A O no hydrogen 2.914 N/A ASN 170.A N ASP 168.A OD1 no hydrogen 2.842 N/A ASN 170.A ND2 ASN 139.A O no hydrogen 2.868 N/A HIS 172.A N ASP 168.A OD1 no hydrogen 3.172 N/A HIS 172.A ND1 ASP 168.A OD2 no hydrogen 2.662 N/A LEU 173.A N LEU 193.A O no hydrogen 2.951 N/A TYR 174.A N SER 166.A O no hydrogen 2.845 N/A TYR 174.A OH ASP 168.A OD2 no hydrogen 2.655 N/A ARG 175.A N GLU 190.A O no hydrogen 2.896 N/A ARG 175.A NE GLU 190.A OE1.B no hydrogen 3.367 N/A ARG 175.A NH1 HIS 163.A ND1 no hydrogen 2.931 N/A ARG 175.A NH1 GLN 177.A OE1 no hydrogen 2.839 N/A ARG 175.A NH2 GLU 190.A OE1.B no hydrogen 2.668 N/A SER 176.A N LEU 164.A O no hydrogen 2.890 N/A SER 176.A OG TYR 129.A OH no hydrogen 2.639 N/A SER 176.A OG SER 187.A O no hydrogen 2.686 N/A GLN 177.A N SER 187.A OG no hydrogen 2.907 N/A THR 178.A N CYS 162.A O no hydrogen 2.917 N/A THR 178.A OG1 ARG 185.A O no hydrogen 2.758 N/A LEU 180.A N ALA 160.A O no hydrogen 2.828 N/A ALA 181.A N PRO 157.A O no hydrogen 2.987 N/A GLN 182.A N THR 179.A OG1 no hydrogen 3.171 N/A PHE 183.A N THR 179.A O no hydrogen 2.971 N/A ARG 185.A N GLN 182.A O no hydrogen 2.911 N/A SER 187.A OG GLN 177.A O no hydrogen 3.362 N/A SER 187.A OG GLU 188.A O no hydrogen 3.389 N/A GLU 190.A N ARG 175.A O no hydrogen 2.921 N/A VAL 192.A N LEU 173.A O no hydrogen 2.817 N/A ASP 195.A N GLY 171.A O no hydrogen 2.918 N/A ASN 198.A N ASP 195.A OD1 no hydrogen 2.941 N/A TYR 200.A N ASN 198.A OD1 no hydrogen 3.189 N/A ALA 201.A N ASN 198.A O no hydrogen 3.005 N/A LEU 202.A N ILE 199.A O no hydrogen 3.216 N/A TRP 203.A N GLU 225.A O no hydrogen 2.952 N/A CYS 207.A N LEU 223.A O no hydrogen 2.923 N/A CYS 207.A SG TYR 209.A OH no hydrogen 3.915 N/A CYS 207.A SG GLY 278.A O no hydrogen 3.481 N/A TYR 209.A N LEU 221.A O no hydrogen 2.906 N/A ARG 210.A N LEU 289.A O no hydrogen 2.957 N/A ARG 210.A NE ILE 211.A O no hydrogen 2.980 N/A ARG 210.A NH2 ALA 214.A O no hydrogen 2.886 N/A ILE 211.A N LYS 219.A O no hydrogen 2.831 N/A LYS 212.A N LEU 291.A O no hydrogen 2.913 N/A ALA 214.A N ILE 211.A O no hydrogen 3.107 N/A LYS 219.A N GLY 216.A O no hydrogen 3.340 N/A TYR 220.A N SER 240.A O no hydrogen 2.974 N/A LEU 221.A N TYR 209.A O no hydrogen 2.883 N/A LEU 222.A N TRP 238.A O no hydrogen 2.889 N/A LEU 223.A N CYS 207.A O no hydrogen 2.838 N/A VAL 224.A N ARG 236.A O no hydrogen 3.006 N/A GLU 225.A N GLU 204.A O no hydrogen 2.920 N/A ALA 226.A N TYR 234.A O no hydrogen 2.811 N/A ILE 227.A N TYR 200.A O no hydrogen 2.912 N/A GLY 228.A N HIS 232.A O no hydrogen 2.864 N/A GLN 229.A N GLU 254.A OE1 no hydrogen 3.061 N/A GLY 231.A N GLY 228.A O no hydrogen 3.317 N/A HIS 232.A N GLN 229.A O no hydrogen 3.015 N/A ARG 233.A N SER 274.A OG no hydrogen 2.888 N/A ARG 233.A NH1 GLU 225.A OE2 no hydrogen 2.921 N/A ARG 233.A NH2 TYR 312.A OH no hydrogen 2.859 N/A TYR 234.A N ALA 226.A O no hydrogen 3.013 N/A PHE 235.A N ALA 259.A O no hydrogen 2.847 N/A ARG 236.A N VAL 224.A O no hydrogen 2.890 N/A ARG 236.A NE ASP 252.A O no hydrogen 2.905 N/A ARG 236.A NH1 ALA 201.A O no hydrogen 2.808 N/A ARG 236.A NH2 ASP 252.A OD2 no hydrogen 2.894 N/A SER 237.A N ALA 251.A O no hydrogen 2.979 N/A SER 237.A OG ALA 251.A O no hydrogen 2.829 N/A TRP 238.A N LEU 222.A O no hydrogen 2.911 N/A THR 239.A N ILE 248.A O no hydrogen 2.918 N/A THR 239.A OG1 THR 217.A O no hydrogen 3.552 N/A SER 240.A N TYR 220.A O no hydrogen 2.991 N/A SER 240.A OG ARG 242.A O.A no hydrogen 3.130 N/A SER 240.A OG ARG 242.A O.B no hydrogen 3.117 N/A SER 240.A OG GLN 246.A O no hydrogen 3.167 N/A ARG 242.A N.A SER 240.A OG no hydrogen 3.320 N/A ARG 242.A N.B SER 240.A OG no hydrogen 3.312 N/A ARG 242.A NE.A ASP 241.A OD1 no hydrogen 2.731 N/A ARG 242.A NH2.A ASP 241.A OD1 no hydrogen 3.528 N/A ARG 242.A NH2.A ASP 241.A OD2 no hydrogen 3.143 N/A ILE 248.A N THR 239.A O no hydrogen 2.876 N/A LEU 250.A N SER 237.A O no hydrogen 2.825 N/A ALA 251.A N SER 237.A OG no hydrogen 2.974 N/A THR 253.A N ASN 256.A O no hydrogen 3.298 N/A ASN 256.A N THR 253.A OG1 no hydrogen 2.856 N/A ASN 256.A ND2.A SER 8.A O no hydrogen 2.621 N/A ASN 256.A ND2.B SER 8.A O no hydrogen 3.026 N/A ASN 256.A ND2.B ASN 256.A O no hydrogen 3.098 N/A TRP 258.A N PHE 235.A O no hydrogen 2.818 N/A GLY 260.A N ASN 263.A OD1 no hydrogen 2.961 N/A ASN 263.A N GLY 260.A O no hydrogen 3.071 N/A ASN 263.A ND2 TRP 10.A O no hydrogen 2.937 N/A ASN 263.A ND2 TRP 258.A O no hydrogen 3.149 N/A VAL 265.A N TRP 12.A O no hydrogen 2.888 N/A LYS 270.A NZ THR 272.A O no hydrogen 3.058 N/A TRP 271.A NE1 THR 15.A O no hydrogen 2.912 N/A THR 272.A OG1 SER 274.A O no hydrogen 2.805 N/A THR 272.A OG1 VAL 304.A O no hydrogen 3.226 N/A SER 274.A N THR 272.A OG1 no hydrogen 3.106 N/A ILE 275.A N ARG 233.A O no hydrogen 2.970 N/A SER 276.A N GLN 302.A O no hydrogen 3.163 N/A SER 276.A OG GLU 225.A OE1 no hydrogen 3.388 N/A SER 276.A OG GLU 225.A OE2 no hydrogen 2.746 N/A HIS 277.A N GLU 225.A OE1 no hydrogen 2.765 N/A GLU 279.A N LEU 300.A O no hydrogen 2.885 N/A VAL 280.A N TYR 209.A OH no hydrogen 2.971 N/A ILE 281.A N GLN 298.A O no hydrogen 2.789 N/A ARG 282.A N ALA 36.A O no hydrogen 3.145 N/A ARG 282.A NH1 VAL 90.A O no hydrogen 2.936 N/A ARG 282.A NH2 VAL 90.A O no hydrogen 2.812 N/A ARG 282.A NH2 GLU 279.A OE1 no hydrogen 3.052 N/A GLN 287.A N GLN 287.A OE1 no hydrogen 2.895 N/A THR 288.A N ASP 286.A OD1 no hydrogen 2.955 N/A THR 288.A OG1 ASP 286.A OD1 no hydrogen 2.658 N/A THR 288.A OG1 THR 290.A OG1 no hydrogen 2.715 N/A LEU 289.A N ASP 286.A O no hydrogen 3.193 N/A THR 290.A OG1 THR 288.A OG1 no hydrogen 2.715 N/A LEU 291.A N ARG 210.A O no hydrogen 2.849 N/A SER 294.A N ASP 292.A OD1 no hydrogen 2.978 N/A SER 294.A OG ASP 292.A OD1 no hydrogen 2.654 N/A SER 294.A OG ASP 292.A OD2 no hydrogen 3.507 N/A GLU 295.A N ASP 292.A O no hydrogen 3.223 N/A ILE 297.A N GLN 324.A OE1 no hydrogen 2.819 N/A GLN 298.A NE2 THR 323.A OG1 no hydrogen 3.262 N/A PHE 299.A N ILE 322.A O no hydrogen 2.879 N/A LEU 300.A N GLU 279.A O no hydrogen 2.901 N/A TYR 301.A N GLY 320.A O no hydrogen 2.901 N/A TYR 301.A OH SER 14.A OG no hydrogen 2.722 N/A GLN 302.A N SER 276.A O no hydrogen 2.912 N/A GLN 302.A NE2 SER 276.A OG no hydrogen 3.018 N/A GLY 303.A N ARG 318.A O no hydrogen 2.916 N/A VAL 304.A N THR 272.A OG1 no hydrogen 2.996 N/A ASN 307.A N ASP 305.A OD1 no hydrogen 2.890 N/A ALA 308.A N ASP 305.A O no hydrogen 3.084 N/A THR 310.A OG1 GLU 311.A O no hydrogen 2.868 N/A ALA 314.A N GLU 311.A O no hydrogen 2.889 N/A LEU 315.A N TYR 312.A O no hydrogen 3.136 N/A TRP 317.A N LEU 315.A O no hydrogen 2.915 N/A ARG 318.A N GLY 303.A O no hydrogen 2.903 N/A ARG 318.A NH1 ALA 29.A O no hydrogen 2.997 N/A ARG 318.A NH1 TRP 317.A O no hydrogen 2.865 N/A LEU 319.A N VAL 19.A O no hydrogen 3.109 N/A GLY 320.A N TYR 301.A O no hydrogen 2.848 N/A LEU 321.A N THR 15.A OG1 no hydrogen 3.071 N/A ILE 322.A N PHE 299.A O no hydrogen 2.964 N/A THR 323.A N VAL 13.A O no hydrogen 2.957 N/A GLN 324.A N ILE 297.A O no hydrogen 3.126 N/A GLN 324.A NE2 TYR 4.A O no hydrogen 3.010 N/A