Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f7k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ASP 45.A O no hydrogen 3.129 N/A LEU 5.A N ARG 47.A O no hydrogen 2.823 N/A VAL 6.A N ASN 28.A OD1 no hydrogen 2.914 N/A ALA 7.A N GLN 49.A O no hydrogen 2.969 N/A GLN 8.A N GLY 26.A O no hydrogen 2.744 N/A VAL 10.A N MET 24.A O no hydrogen 2.776 N/A ALA 12.A N THR 22.A O no hydrogen 2.896 N/A GLN 13.A NE2 LEU 15.A O no hydrogen 2.965 N/A GLN 13.A NE2 PRO 16.A O no hydrogen 3.184 N/A GLN 13.A NE2 GLU 19.A O no hydrogen 2.666 N/A GLU 19.A N PRO 16.A O no hydrogen 2.949 N/A THR 22.A N ALA 12.A O no hydrogen 2.826 N/A THR 22.A OG1 GLY 145.A O no hydrogen 2.824 N/A MET 24.A N VAL 10.A O no hydrogen 2.948 N/A GLY 26.A N GLN 8.A O no hydrogen 2.805 N/A PHE 27.A N GLY 30.A O no hydrogen 2.935 N/A ASN 28.A N VAL 6.A O no hydrogen 2.998 N/A ASN 28.A ND2 GLU 4.A O no hydrogen 3.044 N/A GLY 30.A N PHE 27.A O no hydrogen 3.346 N/A THR 31.A OG1 GLY 113.A O no hydrogen 2.615 N/A GLY 33.A N TYR 115.A O no hydrogen 2.656 N/A LEU 36.A N PRO 117.A O no hydrogen 3.069 N/A ALA 38.A N ILE 119.A O no hydrogen 3.100 N/A ARG 39.A N GLU 42.A OE1 no hydrogen 2.786 N/A ARG 39.A NH2 PRO 123.A O no hydrogen 3.346 N/A GLN 40.A N GLU 121.A O no hydrogen 2.842 N/A GLN 40.A NE2 PRO 93.A O no hydrogen 2.857 N/A GLY 41.A N ALA 92.A O no hydrogen 2.752 N/A GLU 42.A N ARG 39.A O no hydrogen 3.044 N/A PHE 44.A N PHE 90.A O no hydrogen 2.795 N/A ILE 46.A N TYR 88.A O no hydrogen 2.665 N/A ARG 47.A N VAL 3.A O no hydrogen 2.841 N/A PHE 48.A N PHE 86.A O no hydrogen 2.837 N/A GLN 49.A N LEU 5.A O no hydrogen 2.924 N/A GLN 49.A NE2 GLU 4.A OE2 no hydrogen 2.857 N/A ASN 50.A N GLY 84.A O no hydrogen 3.003 N/A ASN 50.A ND2 GLU 54.A O no hydrogen 2.723 N/A ASN 50.A ND2 VAL 80.A O no hydrogen 2.815 N/A GLN 51.A N ALA 7.A O no hydrogen 2.808 N/A ILE 52.A N ASN 50.A OD1 no hydrogen 3.046 N/A SER 56.A N VAL 80.A O no hydrogen 2.937 N/A VAL 58.A N TYR 88.A OH no hydrogen 3.075 N/A HIS 59.A N HIS 101.A O no hydrogen 2.840 N/A HIS 59.A ND1 ASP 70.A O no hydrogen 2.780 N/A HIS 59.A NE2 HIS 317.A NE2 no hydrogen 2.969 N/A HIS 61.A N TRP 99.A O no hydrogen 2.688 N/A HIS 61.A ND1 HIS 101.A NE2 no hydrogen 2.981 N/A HIS 61.A NE2 THR 338.A OG1 no hydrogen 2.839 N/A LEU 63.A N TRP 60.A O no hydrogen 3.309 N/A ARG 64.A NH1 ASP 94.A OD1 no hydrogen 2.797 N/A ARG 64.A NH1 ASP 94.A OD2 no hydrogen 3.429 N/A ARG 64.A NH1 GLU 271.A O no hydrogen 2.978 N/A ARG 64.A NH2 GLU 271.A O no hydrogen 3.076 N/A ALA 68.A N ASP 66.A OD1 no hydrogen 2.993 N/A MET 69.A N ASP 66.A O no hydrogen 2.995 N/A ASP 70.A N ASN 67.A O no hydrogen 3.126 N/A GLY 74.A N GLN 77.A O no hydrogen 2.794 N/A MET 75.A N VAL 72.A O no hydrogen 3.118 N/A THR 76.A N VAL 72.A O no hydrogen 2.782 N/A THR 76.A OG1 ASN 67.A O no hydrogen 2.399 N/A GLN 77.A NE2 ASP 78.A O no hydrogen 2.907 N/A VAL 80.A N SER 56.A O no hydrogen 2.759 N/A GLY 83.A N ASN 50.A O no hydrogen 2.887 N/A GLY 84.A N GLU 81.A O no hydrogen 2.972 N/A PHE 86.A N PHE 48.A O no hydrogen 2.931 N/A TYR 88.A N ILE 46.A O no hydrogen 2.645 N/A TYR 88.A OH GLN 77.A OE1 no hydrogen 2.715 N/A SER 89.A OG ASP 45.A OD1.A no hydrogen 2.859 N/A PHE 90.A N PHE 44.A O no hydrogen 3.043 N/A ARG 91.A NH1 GLY 41.A O no hydrogen 3.016 N/A ALA 92.A N GLU 42.A O no hydrogen 3.069 N/A GLY 96.A N VAL 120.A O no hydrogen 2.791 N/A THR 97.A OG1 ASP 223.A OD1 no hydrogen 2.668 N/A THR 97.A OG1 ASP 223.A OD2 no hydrogen 3.422 N/A PHE 98.A N LEU 118.A O no hydrogen 2.766 N/A TYR 100.A N GLY 116.A O no hydrogen 2.857 N/A TYR 100.A OH PRO 34.A O no hydrogen 2.691 N/A HIS 101.A N HIS 59.A O no hydrogen 2.983 N/A HIS 101.A ND1 SER 102.A O no hydrogen 2.854 N/A HIS 101.A NE2 HIS 61.A ND1 no hydrogen 2.981 N/A SER 102.A N LEU 114.A O no hydrogen 3.144 N/A SER 102.A OG ASN 104.A OD1 no hydrogen 2.774 N/A HIS 103.A N ALA 57.A O no hydrogen 2.961 N/A ARG 105.A N SER 102.A O no hydrogen 3.188 N/A ARG 105.A NE LYS 112.A O no hydrogen 2.821 N/A ARG 105.A NH1 VAL 180.A O no hydrogen 2.699 N/A ARG 105.A NH2 LYS 112.A O no hydrogen 3.094 N/A ARG 105.A NH2 VAL 180.A O no hydrogen 2.926 N/A TRP 107.A N ASN 104.A O no hydrogen 3.012 N/A GLU 108.A N ASN 104.A O no hydrogen 2.976 N/A GLN 109.A NE2 GLN 109.A O no hydrogen 2.961 N/A ALA 111.A N GLU 108.A O no hydrogen 3.008 N/A LYS 112.A N GLN 109.A O no hydrogen 3.019 N/A LYS 112.A NZ ASP 137.A OD1 no hydrogen 3.275 N/A LYS 112.A NZ ASP 138.A O no hydrogen 2.436 N/A LEU 114.A N ALA 111.A O no hydrogen 2.917 N/A TYR 115.A N GLY 113.A O no hydrogen 2.993 N/A GLY 116.A N TYR 100.A O no hydrogen 3.113 N/A LEU 118.A N PHE 98.A O no hydrogen 3.109 N/A ILE 119.A N LEU 36.A O no hydrogen 2.749 N/A VAL 120.A N GLY 96.A O no hydrogen 2.942 N/A GLU 121.A N ALA 38.A O no hydrogen 2.837 N/A ASP 129.A N ARG 172.A O no hydrogen 2.703 N/A HIS 130.A N ARG 172.A O no hydrogen 3.437 N/A LEU 132.A N ARG 174.A O no hydrogen 2.871 N/A ILE 133.A N GLU 162.A O no hydrogen 2.766 N/A ILE 134.A N ARG 176.A O no hydrogen 2.709 N/A MET 135.A N LEU 160.A O no hydrogen 2.885 N/A ILE 136.A N ILE 178.A O no hydrogen 2.846 N/A ASP 137.A N ARG 158.A O no hydrogen 2.963 N/A TRP 139.A N PHE 156.A O no hydrogen 2.603 N/A THR 142.A N VAL 146.A O no hydrogen 2.701 N/A THR 142.A OG1 ASN 144.A OD1 no hydrogen 2.875 N/A THR 142.A OG1 VAL 146.A O no hydrogen 3.183 N/A GLY 145.A N THR 142.A O no hydrogen 3.044 N/A VAL 146.A N THR 142.A OG1 no hydrogen 3.213 N/A ALA 148.A N ARG 140.A O no hydrogen 2.677 N/A ARG 152.A NH1 GLY 151.A O no hydrogen 3.530 N/A ALA 157.A N TYR 245.A OH no hydrogen 3.141 N/A ARG 158.A N ASP 137.A O no hydrogen 2.890 N/A ARG 158.A NH1 GLN 13.A O no hydrogen 3.245 N/A ARG 158.A NH1 ILE 14.A O no hydrogen 2.679 N/A ALA 159.A N LEU 247.A O no hydrogen 2.936 N/A LEU 160.A N MET 135.A O no hydrogen 2.711 N/A GLU 162.A N ILE 133.A O no hydrogen 2.846 N/A VAL 167.A N PRO 251.A O no hydrogen 3.396 N/A ARG 168.A N ASP 171.A OD2 no hydrogen 2.710 N/A ARG 169.A N GLY 254.A O no hydrogen 3.168 N/A ARG 169.A NH1 ASP 231.A OD1 no hydrogen 3.347 N/A ARG 169.A NH1 ASP 231.A OD2 no hydrogen 3.543 N/A GLY 170.A N VAL 228.A O no hydrogen 2.861 N/A ASP 171.A N ARG 168.A O no hydrogen 3.033 N/A ARG 172.A N ASP 129.A OD2 no hydrogen 2.862 N/A ARG 172.A NE ASP 227.A OD1 no hydrogen 2.730 N/A ARG 172.A NH1 GLU 263.A O no hydrogen 3.222 N/A ARG 172.A NH2 ASP 227.A OD1 no hydrogen 3.259 N/A ARG 172.A NH2 ASP 227.A OD2 no hydrogen 3.037 N/A ARG 172.A NH2 SER 262.A O no hydrogen 2.899 N/A VAL 173.A N ALA 226.A O no hydrogen 2.788 N/A ARG 174.A N HIS 130.A O no hydrogen 2.805 N/A ARG 174.A NE ASP 223.A OD2 no hydrogen 3.158 N/A ARG 174.A NH1 GLU 122.A OE1 no hydrogen 2.845 N/A ARG 174.A NH1 GLU 122.A OE2 no hydrogen 3.534 N/A ARG 174.A NH2 GLU 122.A OE2 no hydrogen 3.065 N/A ARG 174.A NH2 ASP 223.A OD2 no hydrogen 2.794 N/A LEU 175.A N ILE 224.A O no hydrogen 2.720 N/A ARG 176.A N LEU 132.A O no hydrogen 2.886 N/A ARG 176.A NE ASP 131.A OD1 no hydrogen 2.745 N/A ARG 176.A NE ASP 131.A OD2 no hydrogen 3.451 N/A ARG 176.A NH1 THR 97.A OG1 no hydrogen 3.037 N/A ARG 176.A NH2 ASP 131.A OD2 no hydrogen 2.902 N/A LEU 177.A N ALA 222.A O no hydrogen 2.864 N/A ILE 178.A N ILE 134.A O no hydrogen 2.713 N/A ASN 179.A N GLN 220.A O no hydrogen 2.953 N/A ASN 179.A ND2 ARG 184.A O no hydrogen 2.989 N/A ASN 179.A ND2 LEU 216.A O no hydrogen 2.831 N/A VAL 180.A N ILE 136.A O no hydrogen 2.890 N/A ALA 181.A N ASN 179.A OD1 no hydrogen 2.946 N/A THR 182.A OG1 ASP 183.A OD2 no hydrogen 2.741 N/A ARG 184.A NE.A ASP 138.A OD2 no hydrogen 3.526 N/A ARG 184.A NH1.B ASP 138.A OD2 no hydrogen 3.158 N/A ARG 184.A NH2.A ARG 152.A O no hydrogen 3.319 N/A PHE 186.A N LEU 216.A O no hydrogen 2.945 N/A VAL 188.A N LEU 214.A O no hydrogen 2.863 N/A GLU 189.A N VAL 237.A O no hydrogen 2.735 N/A GLU 191.A N GLY 235.A O no hydrogen 2.722 N/A GLU 194.A N ASP 227.A O no hydrogen 2.903 N/A LYS 196.A N ILE 225.A O no hydrogen 2.834 N/A LYS 196.A NZ GLY 195.A O no hydrogen 3.066 N/A LYS 196.A NZ GLU 210.A OE1 no hydrogen 2.794 N/A VAL 197.A N GLN 209.A O no hydrogen 2.739 N/A VAL 198.A N ASP 223.A O no hydrogen 2.848 N/A LEU 200.A N MET 203.A O no hydrogen 3.013 N/A ASP 201.A N ARG 221.A O no hydrogen 2.978 N/A MET 203.A N LEU 200.A O no hydrogen 2.847 N/A ILE 205.A N VAL 198.A O no hydrogen 3.127 N/A GLN 209.A N VAL 197.A O no hydrogen 3.031 N/A GLY 213.A N GLU 189.A OE2 no hydrogen 3.160 N/A LEU 214.A N PHE 211.A O no hydrogen 3.004 N/A LEU 216.A N PHE 186.A O no hydrogen 2.786 N/A ALA 217.A N GLN 220.A OE1 no hydrogen 2.872 N/A ALA 219.A N ASN 179.A O no hydrogen 2.689 N/A GLN 220.A N ALA 217.A O no hydrogen 3.124 N/A GLN 220.A NE2 THR 338.A O no hydrogen 2.768 N/A ARG 221.A N ASP 201.A OD1 no hydrogen 2.903 N/A ARG 221.A NE THR 97.A O no hydrogen 2.963 N/A ARG 221.A NH1 ALA 219.A O no hydrogen 2.916 N/A ARG 221.A NH1 ASP 337.A OD1 no hydrogen 3.133 N/A ARG 221.A NH1 ASP 337.A OD2 no hydrogen 3.533 N/A ARG 221.A NH2 THR 97.A O no hydrogen 3.475 N/A ARG 221.A NH2 ASP 337.A OD2 no hydrogen 2.725 N/A ALA 222.A N LEU 177.A O no hydrogen 2.967 N/A ASP 223.A N ALA 199.A O no hydrogen 2.908 N/A ILE 224.A N LEU 175.A O no hydrogen 2.775 N/A ILE 225.A N LYS 196.A O no hydrogen 3.027 N/A ALA 226.A N VAL 173.A O no hydrogen 3.036 N/A ASP 227.A N GLU 194.A O no hydrogen 2.689 N/A VAL 228.A N ASP 171.A O no hydrogen 2.870 N/A ILE 229.A N GLY 192.A O no hydrogen 3.129 N/A ILE 234.A N ILE 250.A O no hydrogen 2.825 N/A GLY 235.A N GLU 191.A O no hydrogen 2.976 N/A PHE 236.A N GLY 248.A O no hydrogen 2.992 N/A VAL 237.A N GLU 189.A O no hydrogen 2.721 N/A PHE 238.A N TYR 245.A O no hydrogen 2.937 N/A THR 240.A OG1 GLY 243.A O no hydrogen 2.512 N/A ASP 242.A N THR 240.A OG1 no hydrogen 3.068 N/A GLY 243.A N THR 240.A O no hydrogen 2.828 N/A TYR 245.A N PHE 238.A O no hydrogen 2.892 N/A TYR 245.A OH ASN 155.A O no hydrogen 3.372 N/A TYR 245.A OH ALA 157.A O no hydrogen 3.235 N/A LEU 247.A N PHE 236.A O no hydrogen 2.920 N/A ILE 250.A N ILE 234.A O no hydrogen 2.771 N/A LYS 253.A N VAL 167.A O no hydrogen 2.836 N/A ASN 256.A N ARG 169.A O no hydrogen 2.839 N/A ASN 256.A ND2 THR 258.A OG1 no hydrogen 3.117 N/A ARG 259.A NE ASP 129.A OD2 no hydrogen 2.781 N/A ARG 259.A NH1 ASP 127.A OD2 no hydrogen 2.835 N/A ARG 259.A NH2 ASP 127.A OD1 no hydrogen 2.961 N/A ARG 259.A NH2 ASP 129.A OD1 no hydrogen 3.031 N/A ARG 259.A NH2 ASP 129.A OD2 no hydrogen 3.408 N/A SER 262.A OG GLU 263.A O no hydrogen 3.480 N/A SER 279.A N THR 301.A O no hydrogen 3.158 N/A VAL 281.A N ARG 303.A O no hydrogen 2.797 N/A LEU 283.A N ARG 305.A O no hydrogen 2.546 N/A LEU 285.A N VAL 307.A O no hydrogen 2.548 N/A THR 289.A N LYS 372.A O no hydrogen 3.049 N/A THR 289.A OG1 THR 291.A O no hydrogen 2.727 N/A LEU 293.A N TRP 374.A O no hydrogen 2.737 N/A SER 295.A OG GLU 376.A OE1 no hydrogen 3.035 N/A PHE 296.A N GLU 376.A O no hydrogen 2.898 N/A ARG 298.A NE ASP 354.A O no hydrogen 3.252 N/A GLY 299.A N PHE 353.A O no hydrogen 2.666 N/A GLN 300.A N GLU 297.A O no hydrogen 3.323 N/A THR 301.A OG1 ASP 276.A OD1 no hydrogen 2.720 N/A ALA 302.A N CYS 351.A O no hydrogen 2.789 N/A ILE 304.A N ILE 349.A O no hydrogen 2.897 N/A ARG 305.A N VAL 281.A O no hydrogen 2.716 N/A ARG 305.A NE ASP 348.A OD1 no hydrogen 2.876 N/A ARG 305.A NH2 ASP 348.A OD2 no hydrogen 3.160 N/A LEU 306.A N ARG 347.A O no hydrogen 2.878 N/A VAL 307.A N LEU 283.A O no hydrogen 2.644 N/A ASN 308.A N GLU 345.A O no hydrogen 2.957 N/A ASN 308.A ND2 PHE 312.A O no hydrogen 2.918 N/A ASN 308.A ND2 VAL 341.A O no hydrogen 2.800 N/A THR 310.A N ASN 308.A OD1 no hydrogen 3.120 N/A THR 310.A OG1 ASN 308.A OD1 no hydrogen 2.637 N/A PHE 312.A N THR 310.A OG1 no hydrogen 3.174 N/A HIS 314.A N VAL 341.A O no hydrogen 3.052 N/A HIS 314.A ND1 PHE 312.A O no hydrogen 2.987 N/A GLY 315.A N HIS 364.A O no hydrogen 2.737 N/A ILE 316.A N THR 339.A O no hydrogen 2.871 N/A HIS 317.A N HIS 362.A O no hydrogen 2.751 N/A HIS 317.A ND1 ASP 337.A O no hydrogen 2.845 N/A HIS 317.A NE2 HIS 59.A NE2 no hydrogen 2.969 N/A LEU 318.A N ASP 337.A O no hydrogen 3.449 N/A HIS 319.A N LEU 360.A O no hydrogen 2.967 N/A HIS 319.A ND1 ASP 70.A OD2 no hydrogen 2.709 N/A HIS 321.A ND1 HIS 319.A O no hydrogen 3.075 N/A HIS 322.A NE2 ASP 201.A O no hydrogen 2.822 N/A PHE 323.A N ARG 336.A O no hydrogen 2.814 N/A PHE 324.A N VAL 350.A O no hydrogen 2.925 N/A GLU 325.A N ALA 334.A O no hydrogen 2.726 N/A VAL 326.A N ASP 348.A O no hydrogen 3.138 N/A GLY 327.A N ASN 331.A O no hydrogen 2.927 N/A GLY 330.A N GLY 327.A O no hydrogen 3.034 N/A GLY 333.A N GLU 325.A O no hydrogen 2.782 N/A ARG 336.A N PHE 323.A O no hydrogen 2.762 N/A ARG 336.A NH1 ASP 201.A OD1 no hydrogen 2.925 N/A ASP 337.A N ASP 201.A OD2 no hydrogen 3.030 N/A THR 338.A OG1 HIS 61.A NE2 no hydrogen 2.839 N/A THR 338.A OG1 ASP 337.A OD1 no hydrogen 2.798 N/A THR 339.A N ILE 316.A O no hydrogen 2.850 N/A THR 339.A OG1 GLU 325.A OE2 no hydrogen 2.588 N/A VAL 341.A N HIS 314.A O no hydrogen 2.987 N/A ALA 343.A N ASP 342.A OD1 no hydrogen 2.800 N/A GLU 345.A N ASP 342.A O no hydrogen 3.076 N/A ARG 347.A N LEU 306.A O no hydrogen 3.124 N/A ARG 347.A NE LEU 340.A O no hydrogen 3.091 N/A ILE 349.A N ILE 304.A O no hydrogen 2.872 N/A VAL 350.A N PHE 324.A O no hydrogen 2.890 N/A CYS 351.A N ALA 302.A O no hydrogen 2.914 N/A CYS 351.A SG HIS 322.A O no hydrogen 3.831 N/A ASN 355.A N HIS 321.A NE2 no hydrogen 3.138 N/A ASN 355.A ND2 ILE 65.A O no hydrogen 2.912 N/A ASN 355.A ND2 GLY 320.A O no hydrogen 3.137 N/A GLY 357.A N VAL 377.A O no hydrogen 2.821 N/A TRP 359.A N VAL 375.A O no hydrogen 2.902 N/A TRP 359.A NE1 ASN 355.A O no hydrogen 2.896 N/A LEU 361.A N THR 373.A O no hydrogen 2.987 N/A HIS 362.A N HIS 317.A O no hydrogen 2.804 N/A HIS 364.A N GLY 315.A O no hydrogen 2.749 N/A HIS 364.A NE2 ASP 183.A OD1 no hydrogen 2.774 N/A LEU 366.A N PRO 313.A O no hydrogen 3.099 N/A GLY 367.A N ASP 183.A OD1 no hydrogen 2.605 N/A HIS 368.A N MET 365.A O no hydrogen 3.100 N/A HIS 368.A ND1 LEU 366.A O no hydrogen 2.910 N/A TRP 374.A NE1 THR 289.A O no hydrogen 2.752 N/A VAL 375.A N TRP 359.A O no hydrogen 2.974 N/A GLU 376.A N HIS 294.A O no hydrogen 3.081 N/A VAL 377.A N GLY 357.A O no hydrogen 2.689 N/A