Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ptm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A NE2 LYS 2.A O no hydrogen 2.936 N/A ARG 5.A NE GLU 32.A OE2 no hydrogen 2.785 N/A ARG 5.A NH2 SER 61.A O no hydrogen 2.969 N/A VAL 6.A N GLU 32.A O no hydrogen 3.115 N/A VAL 7.A N ALA 113.A O no hydrogen 2.924 N/A ILE 8.A N VAL 34.A O no hydrogen 2.718 N/A THR 9.A N ILE 115.A O no hydrogen 3.122 N/A GLU 12.A N PRO 118.A O no hydrogen 2.964 N/A ALA 14.A N GLU 12.A OE1 no hydrogen 3.045 N/A GLY 15.A N GLU 12.A O no hydrogen 3.072 N/A ILE 16.A N THR 292.A O no hydrogen 2.851 N/A LEU 20.A N ILE 16.A O no hydrogen 2.902 N/A VAL 21.A N GLY 17.A O no hydrogen 2.928 N/A VAL 22.A N PRO 18.A O no hydrogen 2.974 N/A GLN 23.A N ASP 19.A O no hydrogen 2.942 N/A GLN 23.A NE2 ASP 19.A O no hydrogen 3.220 N/A LEU 24.A N LEU 20.A O no hydrogen 2.771 N/A ALA 25.A N VAL 21.A O no hydrogen 3.114 N/A GLN 26.A N GLN 23.A O no hydrogen 3.074 N/A ARG 27.A N LEU 24.A O no hydrogen 3.459 N/A TRP 29.A N GLN 66.A O no hydrogen 2.941 N/A TRP 29.A NE1 LEU 24.A O no hydrogen 2.898 N/A GLU 32.A N GLN 4.A O no hydrogen 2.986 N/A LEU 33.A N GLN 66.A OE1 no hydrogen 2.837 N/A VAL 34.A N VAL 6.A O no hydrogen 2.878 N/A VAL 35.A N THR 72.A O no hydrogen 2.580 N/A CYS 36.A N ILE 8.A O no hydrogen 2.935 N/A CYS 36.A SG THR 98.A O no hydrogen 3.662 N/A ALA 37.A N LEU 74.A O no hydrogen 3.237 N/A ASP 38.A N TYR 94.A OH no hydrogen 3.125 N/A THR 40.A OG1 ASP 38.A OD2 no hydrogen 2.538 N/A LEU 41.A N ASP 38.A OD2 no hydrogen 3.188 N/A LEU 42.A N ASP 38.A O no hydrogen 3.369 N/A THR 43.A N ALA 39.A O no hydrogen 2.974 N/A THR 43.A OG1 ALA 39.A O no hydrogen 3.012 N/A ASN 44.A N THR 40.A O no hydrogen 2.853 N/A ARG 45.A N LEU 41.A O no hydrogen 3.020 N/A ARG 45.A NH1 PRO 13.A O no hydrogen 3.489 N/A ARG 45.A NH1 GLY 15.A O no hydrogen 3.068 N/A ARG 45.A NH1 ASP 19.A OD1 no hydrogen 2.633 N/A ARG 45.A NH2 PRO 13.A O no hydrogen 2.728 N/A ALA 46.A N LEU 42.A O no hydrogen 2.861 N/A ALA 47.A N THR 43.A O no hydrogen 3.080 N/A GLY 49.A N ALA 47.A O no hydrogen 2.979 N/A LEU 50.A N ALA 46.A O no hydrogen 3.003 N/A THR 53.A N GLY 69.A O no hydrogen 2.958 N/A ARG 55.A N LEU 71.A O no hydrogen 2.857 N/A ARG 55.A NH1 GLN 64.A O no hydrogen 3.474 N/A ARG 55.A NH2 GLU 32.A OE1 no hydrogen 2.596 N/A TYR 57.A N LEU 73.A O no hydrogen 3.027 N/A TYR 57.A OH GLU 110.A OE1 no hydrogen 2.385 N/A SER 58.A OG PRO 56.A O no hydrogen 2.842 N/A SER 61.A N SER 58.A O no hydrogen 3.057 N/A GLN 64.A N GLU 32.A OE1 no hydrogen 3.035 N/A GLN 66.A N VAL 31.A O no hydrogen 2.952 N/A GLN 66.A NE2 THR 70.A OG1 no hydrogen 2.924 N/A THR 67.A OG1 THR 70.A OG1 no hydrogen 3.352 N/A ALA 68.A N GLU 28.A OE2 no hydrogen 2.808 N/A GLY 69.A N ALA 25.A O no hydrogen 2.691 N/A THR 70.A N THR 67.A O no hydrogen 3.095 N/A THR 70.A OG1 THR 67.A O no hydrogen 2.640 N/A THR 70.A OG1 THR 67.A OG1 no hydrogen 3.352 N/A LEU 71.A N THR 53.A O no hydrogen 3.168 N/A THR 72.A N LEU 33.A O no hydrogen 3.027 N/A THR 72.A OG1 GLN 66.A OE1 no hydrogen 2.752 N/A LEU 73.A N ARG 55.A O no hydrogen 2.766 N/A LEU 74.A N VAL 35.A O no hydrogen 2.846 N/A VAL 76.A N ALA 37.A O no hydrogen 3.067 N/A LEU 78.A N ASP 38.A OD1 no hydrogen 3.096 N/A ARG 79.A N ASN 91.A OD1 no hydrogen 2.791 N/A ALA 80.A N ASN 91.A OD1 no hydrogen 2.943 N/A GLY 85.A N ALA 14.A O no hydrogen 2.817 N/A GLN 86.A N THR 83.A O no hydrogen 3.048 N/A ASN 91.A N ALA 88.A O no hydrogen 2.917 N/A ASN 91.A ND2 ALA 80.A O no hydrogen 2.988 N/A GLY 92.A N VAL 89.A O no hydrogen 2.844 N/A HIS 93.A N GLU 90.A O no hydrogen 3.172 N/A VAL 95.A N ASN 91.A O no hydrogen 2.977 N/A VAL 96.A N GLY 92.A O no hydrogen 3.201 N/A GLU 97.A N HIS 93.A O no hydrogen 2.918 N/A THR 98.A N TYR 94.A O no hydrogen 3.000 N/A THR 98.A OG1 VAL 95.A O no hydrogen 2.645 N/A LEU 99.A N VAL 95.A O no hydrogen 3.077 N/A ALA 100.A N VAL 96.A O no hydrogen 2.824 N/A ARG 101.A N GLU 97.A O no hydrogen 2.959 N/A ARG 101.A NH1 ARG 101.A O no hydrogen 3.113 N/A ARG 101.A NH1 GLU 110.A OE2 no hydrogen 2.888 N/A ARG 101.A NH2 GLU 110.A OE1 no hydrogen 2.974 N/A ARG 101.A NH2 GLU 110.A OE2 no hydrogen 3.218 N/A ALA 102.A N THR 98.A O no hydrogen 2.883 N/A CYS 103.A N LEU 99.A O no hydrogen 2.898 N/A CYS 103.A SG SER 142.A OG no hydrogen 3.578 N/A ASP 104.A N ALA 100.A O no hydrogen 2.861 N/A GLY 105.A N ARG 101.A O no hydrogen 3.013 N/A CYS 106.A N ALA 102.A O no hydrogen 3.118 N/A CYS 106.A SG ALA 102.A O no hydrogen 3.517 N/A LEU 107.A N CYS 103.A O no hydrogen 2.951 N/A ASN 108.A N ASP 104.A O no hydrogen 2.748 N/A ASN 108.A ND2 GLU 110.A OE2 no hydrogen 3.404 N/A GLY 109.A N CYS 106.A O no hydrogen 3.395 N/A GLU 110.A N GLY 105.A O no hydrogen 2.779 N/A PHE 111.A N GLY 105.A O no hydrogen 3.286 N/A ALA 112.A N ARG 5.A O no hydrogen 2.765 N/A LEU 114.A N ILE 284.A O no hydrogen 2.842 N/A ILE 115.A N VAL 7.A O no hydrogen 2.994 N/A THR 116.A N THR 286.A O no hydrogen 3.062 N/A THR 116.A OG1 THR 286.A O no hydrogen 3.448 N/A GLY 117.A N THR 9.A O no hydrogen 2.707 N/A LYS 121.A NZ THR 132.A O no hydrogen 3.226 N/A VAL 123.A N HIS 120.A ND1 no hydrogen 2.993 N/A ILE 124.A N LYS 121.A O no hydrogen 3.117 N/A ASN 125.A N LYS 121.A O no hydrogen 3.087 N/A ASN 125.A ND2 LYS 121.A O no hydrogen 2.728 N/A ASN 125.A ND2 PHE 131.A O no hydrogen 3.159 N/A ASP 126.A N GLY 122.A O no hydrogen 2.938 N/A ALA 127.A N ILE 124.A O no hydrogen 3.152 N/A GLY 128.A N ASN 125.A O no hydrogen 2.797 N/A ILE 129.A N ILE 124.A O no hydrogen 3.216 N/A PHE 131.A N ASN 125.A OD1 no hydrogen 3.116 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.625 N/A PHE 137.A N GLY 133.A O no hydrogen 3.135 N/A PHE 138.A N HIS 134.A O no hydrogen 2.796 N/A GLU 139.A N THR 135.A O no hydrogen 2.920 N/A GLU 140.A N GLU 136.A O no hydrogen 2.973 N/A ARG 141.A N PHE 137.A O no hydrogen 2.917 N/A ARG 141.A NE ASP 104.A OD1 no hydrogen 2.970 N/A ARG 141.A NH2 ASP 104.A OD2 no hydrogen 2.853 N/A SER 142.A N PHE 138.A O no hydrogen 2.836 N/A SER 142.A OG PHE 138.A O no hydrogen 2.869 N/A GLN 143.A N GLU 140.A O no hydrogen 3.000 N/A ALA 144.A N GLU 139.A O no hydrogen 3.068 N/A VAL 147.A N GLU 139.A OE1 no hydrogen 2.965 N/A VAL 148.A N LEU 279.A O no hydrogen 2.865 N/A LEU 149.A N VAL 156.A O no hydrogen 2.815 N/A ALA 150.A N VAL 275.A O no hydrogen 2.868 N/A THR 151.A N LEU 154.A O no hydrogen 2.906 N/A THR 151.A OG1 LEU 154.A O no hydrogen 3.403 N/A ARG 155.A NH1 ASP 253.A O no hydrogen 2.856 N/A VAL 156.A N LEU 149.A O no hydrogen 2.818 N/A ALA 157.A N VAL 255.A O no hydrogen 2.796 N/A ALA 159.A N ALA 257.A O no hydrogen 2.894 N/A LEU 163.A N THR 161.A O no hydrogen 3.020 N/A ASP 167.A N PRO 164.A O no hydrogen 2.987 N/A ILE 168.A N LEU 165.A O no hydrogen 3.204 N/A ALA 171.A N ILE 168.A O no hydrogen 2.918 N/A ILE 172.A N ALA 169.A O no hydrogen 3.035 N/A LEU 176.A N THR 173.A OG1 no hydrogen 3.048 N/A LEU 177.A N THR 173.A O no hydrogen 3.201 N/A HIS 178.A N PRO 174.A O no hydrogen 2.996 N/A HIS 178.A NE2 GLU 227.A OE1 no hydrogen 2.839 N/A GLU 179.A N ALA 175.A O no hydrogen 3.122 N/A VAL 180.A N LEU 176.A O no hydrogen 2.809 N/A ILE 181.A N LEU 177.A O no hydrogen 2.856 N/A ALA 182.A N HIS 178.A O no hydrogen 2.963 N/A ILE 183.A N GLU 179.A O no hydrogen 2.975 N/A LEU 184.A N VAL 180.A O no hydrogen 2.934 N/A HIS 185.A N ILE 181.A O no hydrogen 2.777 N/A HIS 186.A N ALA 182.A O no hydrogen 2.801 N/A ASP 187.A N ILE 183.A O no hydrogen 2.893 N/A LEU 188.A N LEU 184.A O no hydrogen 2.992 N/A ARG 189.A N HIS 185.A O no hydrogen 3.259 N/A ARG 189.A N HIS 186.A O no hydrogen 3.024 N/A THR 190.A N HIS 186.A O no hydrogen 2.800 N/A THR 190.A OG1 HIS 186.A O no hydrogen 3.079 N/A LYS 191.A N ASP 187.A O no hydrogen 2.758 N/A LYS 191.A NZ ASP 187.A OD1 no hydrogen 3.434 N/A LYS 191.A NZ ASP 187.A OD2 no hydrogen 2.982 N/A LYS 191.A NZ LEU 281.A O no hydrogen 3.270 N/A PHE 192.A N ASP 187.A O no hydrogen 3.069 N/A ILE 194.A N LEU 188.A O no hydrogen 2.967 N/A ARG 198.A N ASP 253.A OD1 no hydrogen 2.922 N/A ARG 198.A NE ASP 253.A OD1 no hydrogen 2.999 N/A ARG 198.A NH2 ASP 253.A OD1 no hydrogen 3.419 N/A ARG 198.A NH2 ASP 253.A OD2 no hydrogen 2.736 N/A ILE 199.A N LYS 233.A O no hydrogen 2.917 N/A LEU 200.A N ALA 254.A O no hydrogen 2.836 N/A VAL 201.A N ASN 235.A O no hydrogen 2.784 N/A CYS 202.A N LEU 256.A O no hydrogen 2.951 N/A CYS 202.A SG LEU 256.A O no hydrogen 3.801 N/A GLY 203.A N LEU 238.A O no hydrogen 2.987 N/A LEU 204.A N GLU 217.A OE1 no hydrogen 2.613 N/A ASN 205.A N GLU 217.A OE1 no hydrogen 2.775 N/A ASN 205.A ND2 GLU 216.A OE1 no hydrogen 2.992 N/A ASN 205.A ND2 GLU 217.A OE1 no hydrogen 3.468 N/A ASN 205.A ND2 GLU 217.A OE2 no hydrogen 2.788 N/A HIS 207.A ND1 GLU 210.A OE2 no hydrogen 2.666 N/A GLY 209.A N PRO 206.A O no hydrogen 3.054 N/A GLU 210.A N HIS 207.A O no hydrogen 2.922 N/A HIS 213.A N GLU 210.A O no hydrogen 3.248 N/A THR 215.A OG1 ASP 219.A OD2 no hydrogen 3.044 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.659 N/A GLU 217.A N GLU 217.A OE2 no hydrogen 2.794 N/A ASP 219.A N THR 215.A O no hydrogen 2.796 N/A THR 220.A N GLU 216.A O no hydrogen 2.794 N/A ILE 221.A N GLU 216.A O no hydrogen 3.034 N/A ILE 222.A N GLU 217.A O no hydrogen 2.834 N/A VAL 224.A N THR 220.A O no hydrogen 3.134 N/A LEU 225.A N ILE 221.A O no hydrogen 2.954 N/A ASN 226.A N ILE 222.A O no hydrogen 2.969 N/A GLU 227.A N PRO 223.A O no hydrogen 2.962 N/A LEU 228.A N VAL 224.A O no hydrogen 2.839 N/A ARG 229.A N LEU 225.A O no hydrogen 2.713 N/A ARG 229.A NE LEU 234.A O no hydrogen 2.998 N/A ARG 229.A NH2 LEU 234.A O no hydrogen 3.127 N/A ARG 229.A NH2 GLY 236.A O no hydrogen 2.914 N/A ALA 230.A N ASN 226.A O no hydrogen 3.023 N/A GLN 231.A N LEU 228.A O no hydrogen 2.797 N/A GLY 232.A N ARG 229.A O no hydrogen 3.087 N/A ASN 235.A N ILE 199.A O no hydrogen 2.957 N/A LEU 238.A N VAL 201.A O no hydrogen 2.876 N/A THR 242.A N PRO 239.A O no hydrogen 3.073 N/A LEU 243.A N PRO 239.A O no hydrogen 2.916 N/A GLN 245.A N LEU 243.A O no hydrogen 2.749 N/A TYR 248.A N GLN 245.A O no hydrogen 2.867 N/A LEU 249.A N GLN 245.A O no hydrogen 2.683 N/A ASP 250.A N PRO 246.A O no hydrogen 2.941 N/A ASN 251.A N TYR 248.A O no hydrogen 3.200 N/A ASN 251.A ND2 LYS 247.A O no hydrogen 3.133 N/A ALA 252.A N LEU 249.A O no hydrogen 2.993 N/A ASP 253.A N ARG 198.A O no hydrogen 2.785 N/A VAL 255.A N ARG 155.A O no hydrogen 2.883 N/A LEU 256.A N LEU 200.A O no hydrogen 2.697 N/A ALA 257.A N ALA 157.A O no hydrogen 2.908 N/A HIS 259.A ND1 ASP 260.A OD1 no hydrogen 2.798 N/A GLN 261.A N TYR 258.A O no hydrogen 3.011 N/A GLY 262.A N TYR 258.A O no hydrogen 3.353 N/A LEU 263.A N HIS 259.A O no hydrogen 3.078 N/A LYS 267.A N LEU 263.A O no hydrogen 2.825 N/A TYR 268.A N PRO 264.A O no hydrogen 3.011 N/A GLY 270.A N LYS 267.A O no hydrogen 3.311 N/A VAL 275.A N ALA 150.A O no hydrogen 2.895 N/A ASN 276.A N SER 287.A O no hydrogen 3.104 N/A THR 278.A N ARG 285.A O no hydrogen 3.075 N/A LEU 279.A N VAL 148.A O no hydrogen 2.732 N/A GLY 280.A N ASP 187.A OD2 no hydrogen 2.869 N/A ARG 285.A NE THR 116.A OG1 no hydrogen 3.342 N/A ARG 285.A NH1 THR 278.A OG1 no hydrogen 2.751 N/A ARG 285.A NH2 THR 116.A OG1 no hydrogen 2.731 N/A THR 286.A N LEU 114.A O no hydrogen 2.943 N/A THR 286.A OG1 ALA 310.A O no hydrogen 2.870 N/A SER 287.A OG THR 116.A O no hydrogen 3.416 N/A SER 287.A OG THR 116.A OG1 no hydrogen 2.883 N/A SER 287.A OG VAL 288.A O no hydrogen 2.789 N/A VAL 288.A N THR 116.A O no hydrogen 3.237 N/A ASP 289.A N SER 306.A OG no hydrogen 3.274 N/A LEU 296.A N ALA 293.A O no hydrogen 2.842 N/A ALA 297.A N LEU 294.A O no hydrogen 3.089 N/A GLY 298.A N ASP 19.A OD2 no hydrogen 2.639 N/A ARG 299.A N LEU 296.A O no hydrogen 3.150 N/A GLY 305.A N ASP 303.A OD1 no hydrogen 3.074 N/A SER 306.A OG GLY 274.A O no hydrogen 2.830 N/A SER 306.A OG ASP 289.A OD1 no hydrogen 2.678 N/A ILE 308.A N VAL 304.A O no hydrogen 2.921 N/A THR 309.A N GLY 305.A O no hydrogen 3.099 N/A THR 309.A OG1 GLY 305.A O no hydrogen 2.908 N/A ALA 310.A N SER 306.A O no hydrogen 2.908 N/A LEU 311.A N PHE 307.A O no hydrogen 2.897 N/A ASN 312.A N ILE 308.A O no hydrogen 2.837 N/A LEU 313.A N THR 309.A O no hydrogen 2.867 N/A ALA 314.A N ALA 310.A O no hydrogen 3.074 N/A ILE 315.A N LEU 311.A O no hydrogen 3.015 N/A LYS 316.A N ASN 312.A O no hydrogen 2.935 N/A ASN 319.A ND2 LYS 191.A O no hydrogen 2.848 N/A THR 320.A N ILE 317.A O no hydrogen 2.988 N/A THR 320.A OG1 ILE 317.A O no hydrogen 2.772 N/A GLN 321.A N ILE 317.A O no hydrogen 2.893 N/A GLN 321.A N VAL 318.A O no hydrogen 2.973 N/A GLN 321.A NE2 GLN 4.A OE1 no hydrogen 2.736 N/A