Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2whd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N THR 107.A O no hydrogen 2.978 N/A THR 6.A N LEU 109.A O no hydrogen 3.009 N/A THR 6.A OG1 VAL 8.A O no hydrogen 3.058 N/A THR 6.A OG1 LYS 30.A O no hydrogen 2.839 N/A VAL 8.A N THR 6.A OG1 no hydrogen 3.182 N/A CYS 9.A N THR 112.A O no hydrogen 2.876 N/A CYS 9.A SG VAL 32.A O no hydrogen 3.729 N/A ILE 10.A N VAL 32.A O no hydrogen 2.815 N/A ILE 11.A N VAL 114.A O no hydrogen 2.865 N/A GLY 12.A N PHE 34.A O no hydrogen 2.910 N/A SER 13.A OG GLU 35.A O no hydrogen 2.788 N/A HIS 18.A N GLY 14.A O no hydrogen 3.030 N/A HIS 18.A ND1 SER 77.A OG no hydrogen 2.859 N/A THR 19.A N PRO 15.A O no hydrogen 2.843 N/A THR 19.A OG1 PRO 15.A O no hydrogen 2.895 N/A ALA 20.A N ALA 16.A O no hydrogen 2.858 N/A ALA 21.A N ALA 17.A O no hydrogen 2.801 N/A ILE 22.A N HIS 18.A O no hydrogen 2.818 N/A TYR 23.A N THR 19.A O no hydrogen 3.094 N/A ALA 24.A N ALA 20.A O no hydrogen 2.838 N/A ALA 25.A N ALA 21.A O no hydrogen 2.772 N/A ARG 26.A N ILE 22.A O no hydrogen 2.961 N/A ALA 27.A N TYR 23.A O no hydrogen 2.974 N/A ALA 27.A N ALA 24.A O no hydrogen 3.094 N/A GLU 28.A N ALA 25.A O no hydrogen 2.765 N/A LEU 29.A N ALA 24.A O no hydrogen 3.095 N/A VAL 32.A N VAL 8.A O no hydrogen 3.147 N/A LEU 33.A N ASN 83.A O no hydrogen 2.858 N/A PHE 34.A N ILE 10.A O no hydrogen 2.879 N/A GLU 35.A N LEU 85.A O no hydrogen 2.960 N/A GLY 36.A N GLU 87.A O no hydrogen 3.097 N/A TRP 37.A N THR 88.A OG1 no hydrogen 2.988 N/A ASP 41.A N MET 38.A O no hydrogen 2.852 N/A ILE 42.A N ALA 39.A O no hydrogen 3.330 N/A GLY 45.A N SER 13.A OG no hydrogen 2.996 N/A GLY 46.A N ALA 43.A O no hydrogen 3.066 N/A THR 49.A N GLY 46.A O no hydrogen 2.913 N/A THR 49.A OG1 GLY 46.A O no hydrogen 2.862 N/A THR 50.A N GLN 47.A O no hydrogen 2.686 N/A THR 50.A OG1 GLN 47.A O no hydrogen 2.722 N/A THR 51.A N LEU 48.A O no hydrogen 3.224 N/A THR 52.A N THR 51.A OG1 no hydrogen 2.895 N/A VAL 54.A N ILE 64.A O no hydrogen 2.743 N/A GLY 63.A N PHE 60.A O no hydrogen 2.869 N/A ILE 64.A N VAL 54.A O no hydrogen 2.848 N/A LEU 69.A N MET 65.A O no hydrogen 2.989 N/A MET 70.A N GLY 66.A O no hydrogen 2.931 N/A ASP 71.A N ILE 67.A O no hydrogen 2.865 N/A ASN 72.A N ASP 68.A O no hydrogen 3.001 N/A CYS 73.A N LEU 69.A O no hydrogen 3.031 N/A CYS 73.A SG LEU 69.A O no hydrogen 3.551 N/A ARG 74.A N MET 70.A O no hydrogen 3.123 N/A ARG 74.A NE GLU 35.A OE1 no hydrogen 2.768 N/A ARG 74.A NH2 GLU 35.A OE1 no hydrogen 3.374 N/A ARG 74.A NH2 GLU 35.A OE2 no hydrogen 2.870 N/A ALA 75.A N ASP 71.A O no hydrogen 3.055 N/A GLN 76.A N ASN 72.A O no hydrogen 2.881 N/A SER 77.A N CYS 73.A O no hydrogen 2.947 N/A SER 77.A OG HIS 18.A ND1 no hydrogen 2.859 N/A SER 77.A OG HIS 18.A O no hydrogen 3.460 N/A SER 77.A OG CYS 73.A O no hydrogen 3.285 N/A VAL 78.A N ARG 74.A O no hydrogen 2.882 N/A ARG 79.A N ALA 75.A O no hydrogen 2.954 N/A PHE 80.A N GLN 76.A O no hydrogen 3.360 N/A GLY 81.A N VAL 78.A O no hydrogen 3.004 N/A THR 82.A N SER 77.A O no hydrogen 3.026 N/A THR 82.A OG1 SER 77.A O no hydrogen 2.873 N/A ASN 83.A N PRO 31.A O no hydrogen 3.107 N/A LEU 85.A N LEU 33.A O no hydrogen 2.799 N/A SER 86.A OG GLU 35.A OE2 no hydrogen 2.761 N/A THR 90.A N THR 102.A O no hydrogen 3.006 N/A THR 90.A OG1 THR 102.A O no hydrogen 3.375 N/A ASP 93.A N ARG 100.A O no hydrogen 2.873 N/A PHE 94.A N GLN 260.A OE1 no hydrogen 2.856 N/A SER 95.A N ASP 93.A OD1 no hydrogen 2.729 N/A SER 95.A OG ASP 93.A OD1 no hydrogen 2.922 N/A PHE 99.A N ALA 110.A O no hydrogen 2.638 N/A ARG 100.A N ASP 93.A O no hydrogen 3.230 N/A VAL 101.A N VAL 108.A O no hydrogen 2.891 N/A THR 102.A N GLU 91.A O no hydrogen 3.272 N/A SER 103.A N THR 106.A O no hydrogen 2.814 N/A SER 103.A OG GLU 87.A OE1 no hydrogen 2.634 N/A SER 103.A OG THR 106.A O no hydrogen 3.458 N/A SER 105.A N SER 103.A OG no hydrogen 3.114 N/A THR 106.A N SER 103.A OG no hydrogen 2.841 N/A THR 106.A OG1 GLU 87.A OE1 no hydrogen 2.685 N/A THR 106.A OG1 GLU 87.A OE2 no hydrogen 3.254 N/A VAL 108.A N VAL 101.A O no hydrogen 2.737 N/A LEU 109.A N LEU 4.A O no hydrogen 2.623 N/A ALA 110.A N PHE 99.A O no hydrogen 2.693 N/A ASP 111.A N THR 6.A O no hydrogen 3.135 N/A THR 112.A N ARG 7.A O no hydrogen 2.923 N/A THR 112.A OG1 ARG 7.A O no hydrogen 2.847 N/A VAL 113.A N GLY 282.A O no hydrogen 3.209 N/A VAL 114.A N CYS 9.A O no hydrogen 2.868 N/A VAL 115.A N PHE 284.A O no hydrogen 2.769 N/A ALA 116.A N ILE 11.A O no hydrogen 2.906 N/A THR 117.A OG1 ALA 253.A O no hydrogen 2.763 N/A VAL 120.A N GLU 251.A O no hydrogen 3.089 N/A ARG 122.A N GLY 249.A O no hydrogen 2.909 N/A ARG 122.A NE GLU 251.A OE1 no hydrogen 3.462 N/A ARG 123.A NH2 SER 129.A OG no hydrogen 3.204 N/A SER 129.A N PHE 126.A O no hydrogen 3.066 N/A SER 129.A OG PHE 126.A O no hydrogen 2.716 N/A TYR 132.A N GLY 128.A O no hydrogen 2.974 N/A TRP 133.A N ASP 130.A O no hydrogen 3.155 N/A ASN 134.A N ILE 137.A O no hydrogen 3.012 N/A ARG 135.A N TYR 132.A O no hydrogen 2.966 N/A ARG 135.A NH2 GLY 220.A O no hydrogen 2.623 N/A ILE 137.A N TYR 132.A O no hydrogen 2.943 N/A SER 138.A N LEU 244.A O no hydrogen 3.193 N/A SER 138.A OG ASP 144.A OD2 no hydrogen 3.120 N/A CYS 140.A N SER 138.A OG no hydrogen 2.793 N/A ASP 144.A N CYS 140.A O no hydrogen 3.105 N/A GLY 145.A N ALA 141.A O no hydrogen 2.900 N/A ALA 147.A N ASP 144.A O no hydrogen 3.134 N/A PHE 150.A N ALA 147.A O no hydrogen 3.169 N/A ARG 151.A N PRO 148.A O no hydrogen 2.849 N/A ARG 151.A NE ALA 146.A O no hydrogen 3.274 N/A ARG 151.A NH2 ALA 146.A O no hydrogen 2.789 N/A ASN 152.A N TYR 174.A O no hydrogen 2.793 N/A LYS 153.A N PHE 150.A O no hydrogen 2.997 N/A ILE 155.A N GLN 177.A O no hydrogen 2.931 N/A ALA 156.A N GLY 243.A O no hydrogen 2.748 N/A VAL 157.A N TYR 179.A O no hydrogen 2.721 N/A ILE 158.A N PHE 245.A O no hydrogen 2.927 N/A GLY 159.A N ILE 181.A O no hydrogen 3.060 N/A MET 165.A N GLY 161.A O no hydrogen 3.188 N/A GLU 166.A N ASP 162.A O no hydrogen 2.899 N/A GLU 167.A N SER 163.A O no hydrogen 2.775 N/A GLY 168.A N ALA 164.A O no hydrogen 2.928 N/A ASN 169.A N MET 165.A O no hydrogen 3.143 N/A PHE 170.A N GLU 166.A O no hydrogen 2.888 N/A LEU 171.A N GLU 167.A O no hydrogen 2.933 N/A LEU 171.A N GLY 168.A O no hydrogen 3.031 N/A THR 172.A N GLY 168.A O no hydrogen 3.120 N/A THR 172.A N ASN 169.A O no hydrogen 2.828 N/A THR 172.A OG1 ASN 169.A O no hydrogen 2.859 N/A TYR 174.A N LEU 171.A O no hydrogen 2.949 N/A GLY 175.A N LEU 171.A O no hydrogen 2.932 N/A SER 176.A N LYS 153.A O no hydrogen 2.914 N/A GLN 177.A NE2 VAL 178.A O no hydrogen 3.349 N/A VAL 178.A N LYS 202.A O no hydrogen 2.779 N/A TYR 179.A N ILE 155.A O no hydrogen 2.924 N/A ILE 180.A N GLN 204.A O no hydrogen 3.208 N/A ILE 181.A N VAL 157.A O no hydrogen 2.769 N/A HIS 182.A N VAL 206.A O no hydrogen 3.422 N/A SER 190.A N ASP 162.A OD1 no hydrogen 2.838 N/A MET 193.A N SER 190.A OG no hydrogen 2.982 N/A GLN 194.A N SER 190.A O no hydrogen 2.945 N/A GLN 194.A NE2 ALA 189.A O no hydrogen 2.928 N/A ALA 195.A N LYS 191.A O no hydrogen 3.261 N/A ARG 196.A N ILE 192.A O no hydrogen 3.072 N/A ALA 197.A N MET 193.A O no hydrogen 3.321 N/A LEU 198.A N GLN 194.A O no hydrogen 2.871 N/A SER 199.A N ALA 195.A O no hydrogen 2.797 N/A SER 199.A OG ARG 196.A O no hydrogen 3.265 N/A ASN 200.A N ALA 197.A O no hydrogen 2.963 N/A ASN 200.A ND2 ASN 169.A OD1 no hydrogen 3.087 N/A ASN 200.A ND2 THR 172.A OG1 no hydrogen 3.047 N/A LYS 202.A N ASN 200.A OD1 no hydrogen 2.644 N/A LYS 202.A NZ THR 172.A O no hydrogen 2.913 N/A LYS 202.A NZ GLY 175.A O no hydrogen 2.918 N/A ILE 203.A N ASN 200.A O no hydrogen 3.394 N/A GLN 204.A N VAL 178.A O no hydrogen 2.895 N/A VAL 206.A N ILE 180.A O no hydrogen 2.675 N/A ASP 208.A N ARG 184.A O no hydrogen 2.881 N/A SER 209.A N HIS 182.A O no hydrogen 3.030 N/A SER 209.A OG TRP 207.A O no hydrogen 2.658 N/A GLU 210.A N LYS 229.A O no hydrogen 2.960 N/A VAL 212.A N LYS 227.A O no hydrogen 2.793 N/A ALA 214.A N SER 127.A O no hydrogen 2.750 N/A TYR 215.A N GLY 225.A O no hydrogen 2.940 N/A GLY 221.A N GLY 217.A O no hydrogen 2.673 N/A LEU 223.A N ARG 135.A O no hydrogen 2.818 N/A ALA 224.A N TYR 215.A O no hydrogen 2.744 N/A GLY 225.A N TYR 215.A O no hydrogen 3.109 N/A VAL 226.A N LEU 239.A O no hydrogen 3.163 N/A LYS 227.A N GLU 213.A O no hydrogen 2.834 N/A LYS 227.A NZ GLU 213.A OE1 no hydrogen 3.338 N/A VAL 228.A N SER 237.A O no hydrogen 2.879 N/A LYS 229.A N GLU 210.A O no hydrogen 2.743 N/A ASN 230.A N GLU 235.A O no hydrogen 2.755 N/A LEU 231.A N ASP 208.A O no hydrogen 2.667 N/A VAL 232.A N ASN 230.A OD1 no hydrogen 2.755 N/A THR 233.A N ASN 230.A OD1 no hydrogen 2.861 N/A GLY 234.A N ASN 230.A O no hydrogen 2.969 N/A GLU 235.A N THR 233.A OG1 no hydrogen 2.817 N/A SER 237.A N VAL 228.A O no hydrogen 2.796 N/A SER 237.A OG VAL 228.A O no hydrogen 3.479 N/A LEU 239.A N VAL 226.A O no hydrogen 2.954 N/A VAL 241.A N ALA 224.A O no hydrogen 2.909 N/A SER 242.A N PRO 154.A O no hydrogen 2.798 N/A LEU 244.A N GLY 136.A O no hydrogen 3.329 N/A PHE 245.A N ALA 156.A O no hydrogen 2.742 N/A PHE 246.A N SER 138.A O no hydrogen 3.027 N/A ALA 247.A N ILE 158.A O no hydrogen 2.902 N/A GLU 251.A N VAL 120.A O no hydrogen 2.720 N/A ALA 253.A N GLY 118.A O no hydrogen 2.890 N/A THR 254.A N PRO 252.A O no hydrogen 2.986 N/A THR 254.A OG1 GLY 267.A O no hydrogen 2.747 N/A LYS 255.A NZ GLU 251.A OE2 no hydrogen 3.129 N/A LEU 257.A N THR 254.A O no hydrogen 3.047 N/A ASN 258.A N LYS 255.A O no hydrogen 2.887 N/A GLN 260.A N LEU 257.A O no hydrogen 3.077 N/A GLN 260.A NE2 VAL 92.A O no hydrogen 2.872 N/A GLN 260.A NE2 LEU 257.A O no hydrogen 3.123 N/A GLU 262.A N SER 279.A OG no hydrogen 2.985 N/A HIS 264.A N TYR 268.A O no hydrogen 2.835 N/A GLY 267.A N HIS 264.A O no hydrogen 2.985 N/A TYR 268.A N ASP 266.A OD1 no hydrogen 3.268 N/A VAL 269.A N VAL 289.A O no hydrogen 3.126 N/A ALA 270.A N GLU 262.A O no hydrogen 2.975 N/A THR 271.A OG1 GLN 290.A OE1 no hydrogen 2.755 N/A LYS 272.A N HIS 277.A O no hydrogen 2.905 N/A SER 275.A N LYS 272.A O no hydrogen 2.825 N/A SER 275.A OG LYS 272.A O no hydrogen 2.995 N/A THR 276.A N ASP 310.A OD2 no hydrogen 3.342 N/A THR 276.A OG1 ASP 310.A OD2 no hydrogen 2.844 N/A HIS 277.A N SER 275.A OG no hydrogen 3.107 N/A THR 278.A OG1 VAL 280.A O no hydrogen 3.542 N/A THR 278.A OG1 VAL 283.A O no hydrogen 2.844 N/A VAL 280.A N THR 278.A OG1 no hydrogen 3.148 N/A VAL 283.A N VAL 280.A O no hydrogen 2.977 N/A PHE 284.A N VAL 113.A O no hydrogen 2.784 N/A ALA 285.A N THR 276.A O no hydrogen 2.805 N/A ALA 286.A N VAL 115.A O no hydrogen 3.027 N/A GLY 287.A N SER 303.A OG no hydrogen 2.947 N/A GLN 290.A N GLY 287.A O no hydrogen 2.956 N/A GLN 290.A NE2 GLY 287.A O no hydrogen 3.031 N/A ASP 291.A N ASP 288.A O no hydrogen 3.294 N/A LYS 292.A NZ ASP 266.A OD2 no hydrogen 2.537 N/A LYS 293.A N ASP 291.A OD1 no hydrogen 2.851 N/A LYS 293.A NZ TYR 294.A OH no hydrogen 3.532 N/A TYR 294.A N ASP 291.A OD1 no hydrogen 3.034 N/A ARG 295.A N ASP 291.A OD2 no hydrogen 2.799 N/A ARG 295.A NE LYS 292.A O no hydrogen 2.934 N/A GLN 296.A N THR 299.A OG1 no hydrogen 3.197 N/A GLN 296.A NE2 TYR 294.A O no hydrogen 3.183 N/A THR 299.A OG1 GLN 296.A O no hydrogen 3.152 N/A ALA 300.A N GLN 296.A O no hydrogen 2.877 N/A ALA 301.A N ALA 297.A O no hydrogen 2.797 N/A GLY 302.A N ILE 298.A O no hydrogen 3.087 N/A SER 303.A N THR 299.A O no hydrogen 2.923 N/A GLY 304.A N ALA 300.A O no hydrogen 2.971 N/A CYS 305.A N ALA 301.A O no hydrogen 3.090 N/A MET 306.A N GLY 302.A O no hydrogen 3.084 N/A ALA 307.A N SER 303.A O no hydrogen 2.923 N/A ALA 308.A N GLY 304.A O no hydrogen 3.080 N/A LEU 309.A N CYS 305.A O no hydrogen 3.029 N/A ASP 310.A N MET 306.A O no hydrogen 2.815 N/A ALA 311.A N ALA 307.A O no hydrogen 3.050 N/A GLU 312.A N ALA 308.A O no hydrogen 2.793 N/A HIS 313.A N LEU 309.A O no hydrogen 2.835 N/A TYR 314.A N ASP 310.A O no hydrogen 2.832 N/A LEU 315.A N ALA 311.A O no hydrogen 2.798 N/A GLN 316.A N GLU 312.A O no hydrogen 3.188 N/A VAL 318.A N LEU 315.A O no hydrogen 3.229 N/A