Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 7.A N GLU 6.A OE2 no hydrogen 2.884 N/A GLU 12.A N ILE 9.A O no hydrogen 3.134 N/A GLU 14.A N GLU 14.A OE1 no hydrogen 2.853 N/A SER 20.A OG GLN 23.A OE1 no hydrogen 3.255 N/A GLN 23.A N SER 20.A OG no hydrogen 3.333 N/A LYS 24.A N SER 20.A O no hydrogen 3.339 N/A LYS 24.A NZ TRP 48.A O no hydrogen 2.691 N/A LEU 25.A N ASP 21.A O no hydrogen 2.903 N/A HIS 26.A N GLU 22.A O no hydrogen 2.931 N/A GLU 27.A N GLN 23.A O no hydrogen 2.902 N/A PHE 28.A N LYS 24.A O no hydrogen 2.892 N/A ALA 29.A N LEU 25.A O no hydrogen 2.939 N/A ILE 30.A N HIS 26.A O no hydrogen 2.906 N/A ILE 31.A N GLU 27.A O no hydrogen 2.905 N/A THR 32.A N PHE 28.A O no hydrogen 2.927 N/A THR 32.A OG1 PHE 28.A O no hydrogen 2.540 N/A THR 32.A OG1 THR 34.A OG1 no hydrogen 2.350 N/A THR 34.A N ALA 29.A O no hydrogen 3.169 N/A THR 34.A N THR 32.A OG1 no hydrogen 3.344 N/A THR 34.A OG1 THR 32.A OG1 no hydrogen 2.350 N/A PHE 38.A N ASP 35.A OD1 no hydrogen 2.390 N/A ALA 39.A N ASP 35.A O no hydrogen 3.034 N/A GLN 40.A N GLU 36.A O no hydrogen 2.908 N/A LEU 43.A N ALA 39.A O no hydrogen 2.920 N/A GLN 44.A N GLN 40.A O no hydrogen 2.902 N/A GLN 44.A N SER 41.A O no hydrogen 3.280 N/A ASP 45.A N ILE 42.A O no hydrogen 3.164 N/A TRP 48.A N LEU 43.A O no hydrogen 2.928 N/A ASP 49.A N VAL 46.A O no hydrogen 3.120 N/A ALA 53.A N ASP 49.A O no hydrogen 2.745 N/A LEU 54.A N LEU 50.A O no hydrogen 2.924 N/A VAL 56.A N LYS 52.A O no hydrogen 2.889 N/A PHE 57.A N ALA 53.A O no hydrogen 2.904 N/A TYR 58.A N LEU 54.A O no hydrogen 2.926 N/A GLY 59.A N ASP 55.A O no hydrogen 2.879 N/A SER 60.A N VAL 56.A O no hydrogen 3.004 N/A ALA 62.A N SER 60.A OG no hydrogen 3.286 N/A PHE 63.A N SER 60.A O no hydrogen 3.446 N/A ARG 67.A N PHE 63.A O no hydrogen 2.856 N/A ARG 67.A NH1 PHE 57.A O no hydrogen 2.728 N/A ARG 67.A NH1 SER 60.A O no hydrogen 2.874 N/A ARG 67.A NH2 SER 60.A O no hydrogen 2.743 N/A SER 68.A N ALA 64.A O no hydrogen 2.707 N/A ALA 69.A N GLU 65.A O no hydrogen 2.817 N/A ALA 70.A N ALA 66.A O no hydrogen 2.731 N/A VAL 71.A N ARG 67.A O no hydrogen 2.837 N/A VAL 71.A N SER 68.A O no hydrogen 2.958 N/A LEU 78.A N THR 74.A O no hydrogen 3.317 N/A LEU 78.A N ALA 75.A O no hydrogen 3.004 N/A LYS 79.A N ALA 75.A O no hydrogen 2.922 N/A PHE 81.A N LEU 78.A O no hydrogen 2.977 N/A VAL 83.A N PHE 317.A O no hydrogen 2.933 N/A SER 84.A N ASP 113.A OD2 no hydrogen 3.003 N/A SER 84.A OG ASP 113.A OD2 no hydrogen 3.470 N/A VAL 85.A N ALA 315.A O no hydrogen 2.843 N/A TRP 87.A N PHE 116.A O no hydrogen 2.797 N/A TRP 87.A NE1 HIS 310.A O no hydrogen 3.065 N/A ASN 88.A ND2 GLU 119.A OE2 no hydrogen 3.355 N/A ASN 88.A ND2 ASP 229.A OD2 no hydrogen 2.611 N/A ILE 89.A N GLN 118.A O no hydrogen 3.116 N/A ASP 90.A N ASN 88.A OD1 no hydrogen 3.002 N/A GLY 91.A N GLU 119.A O no hydrogen 2.939 N/A ASP 93.A N ASP 90.A O no hydrogen 3.106 N/A ARG 95.A N ASP 93.A OD1 no hydrogen 3.307 N/A ARG 95.A NE ASP 93.A OD1 no hydrogen 2.965 N/A ARG 95.A NE ASP 93.A OD2 no hydrogen 3.286 N/A ARG 95.A NH1 ASP 93.A OD2 no hydrogen 3.015 N/A ARG 95.A NH1 ASN 268.A O no hydrogen 2.502 N/A LEU 97.A N GLY 94.A O no hydrogen 3.180 N/A ARG 100.A N SER 96.A O no hydrogen 2.957 N/A ARG 100.A NE PRO 307.A O no hydrogen 2.866 N/A ARG 100.A NH1 ASP 93.A O no hydrogen 2.731 N/A ARG 100.A NH1 ARG 95.A O no hydrogen 3.055 N/A ARG 100.A NH2 ILE 89.A O no hydrogen 3.013 N/A ARG 100.A NH2 ASP 90.A O no hydrogen 2.720 N/A ARG 100.A NH2 PRO 307.A O no hydrogen 3.393 N/A ALA 102.A N THR 99.A O no hydrogen 2.936 N/A VAL 103.A N ARG 100.A O no hydrogen 2.889 N/A HIS 105.A N LYS 101.A O no hydrogen 2.933 N/A ILE 106.A N ALA 102.A O no hydrogen 2.904 N/A VAL 107.A N VAL 103.A O no hydrogen 2.899 N/A LYS 108.A N ALA 104.A O no hydrogen 2.923 N/A ASN 109.A N HIS 105.A O no hydrogen 2.937 N/A ASN 109.A ND2 HIS 105.A NE2 no hydrogen 3.326 N/A VAL 110.A N ILE 106.A O no hydrogen 2.885 N/A ASN 111.A N VAL 107.A O no hydrogen 2.712 N/A ASP 113.A N SER 84.A OG no hydrogen 3.128 N/A ILE 114.A N SER 84.A O no hydrogen 3.044 N/A LEU 115.A N LEU 151.A O no hydrogen 2.882 N/A LEU 117.A N ALA 149.A O no hydrogen 2.875 N/A GLN 118.A N TRP 87.A O no hydrogen 2.895 N/A GLN 118.A NE2 SER 86.A OG no hydrogen 3.317 N/A GLN 118.A NE2 ASN 189.A OD1 no hydrogen 2.856 N/A VAL 120.A N TYR 147.A O no hydrogen 2.845 N/A ARG 123.A NE ASP 124.A OD2 no hydrogen 3.265 N/A ILE 128.A N LEU 125.A O no hydrogen 2.913 N/A ASP 129.A N LEU 125.A O no hydrogen 3.044 N/A LYS 130.A N ALA 126.A O no hydrogen 2.912 N/A LEU 131.A N ILE 128.A O no hydrogen 3.048 N/A GLN 132.A N ASP 129.A O no hydrogen 3.173 N/A GLN 132.A NE2 ASP 129.A O no hydrogen 3.626 N/A SER 133.A N LYS 130.A O no hydrogen 3.471 N/A SER 133.A OG LYS 130.A O no hydrogen 3.248 N/A LEU 134.A N LEU 131.A O no hydrogen 2.864 N/A TYR 135.A N LEU 131.A O no hydrogen 2.729 N/A TYR 135.A OH PRO 112.A O no hydrogen 2.616 N/A LYS 136.A N VAL 152.A O no hydrogen 2.858 N/A LYS 136.A NZ PHE 155.A O no hydrogen 2.710 N/A TYR 138.A N ILE 150.A O no hydrogen 2.905 N/A TYR 139.A OH ASP 129.A OD1 no hydrogen 2.685 N/A SER 140.A N THR 148.A O no hydrogen 2.822 N/A SER 140.A OG THR 148.A O no hydrogen 3.182 N/A SER 140.A OG THR 148.A OG1 no hydrogen 3.205 N/A LYS 142.A NZ ASP 122.A OD1 no hydrogen 3.493 N/A CYS 144.A SG TYR 146.A O no hydrogen 3.472 N/A TYR 147.A N VAL 120.A O no hydrogen 3.017 N/A TYR 147.A OH ASP 122.A OD1 no hydrogen 2.616 N/A THR 148.A N SER 140.A OG no hydrogen 2.890 N/A THR 148.A OG1 GLN 174.A OE1 no hydrogen 2.885 N/A ALA 149.A N LEU 117.A O no hydrogen 2.904 N/A ILE 150.A N TYR 138.A O no hydrogen 2.879 N/A LEU 151.A N LEU 115.A O no hydrogen 2.891 N/A VAL 152.A N LYS 136.A O no hydrogen 2.921 N/A SER 153.A N ASP 113.A O no hydrogen 2.835 N/A LYS 154.A NZ GLN 132.A O no hydrogen 3.068 N/A ASP 156.A N SER 179.A O no hydrogen 2.985 N/A GLU 158.A N GLU 177.A O no hydrogen 2.660 N/A LYS 159.A N GLU 177.A O no hydrogen 2.959 N/A ASP 161.A N ILE 175.A O no hydrogen 2.887 N/A ILE 163.A N LEU 173.A O no hydrogen 2.914 N/A PHE 165.A N ARG 171.A O no hydrogen 3.149 N/A ASN 167.A ND2 GLN 201.A O no hydrogen 3.350 N/A SER 168.A N PHE 165.A O no hydrogen 3.430 N/A SER 168.A OG GLU 193.A OE1 no hydrogen 2.766 N/A SER 168.A OG GLU 193.A OE2 no hydrogen 3.422 N/A GLY 169.A N GLU 193.A OE2 no hydrogen 2.961 N/A ARG 171.A N SER 168.A OG no hydrogen 3.172 N/A ARG 171.A NE TYR 146.A OH no hydrogen 3.390 N/A ARG 171.A NH1 HIS 191.A O no hydrogen 2.910 N/A ARG 171.A NH1 SER 194.A OG no hydrogen 3.213 N/A ARG 171.A NH2 TYR 146.A OH no hydrogen 3.059 N/A ARG 171.A NH2 SER 194.A OG no hydrogen 2.701 N/A LEU 173.A N ILE 163.A O no hydrogen 2.866 N/A GLN 174.A N ASN 189.A O no hydrogen 2.890 N/A GLN 174.A NE2 TYR 138.A O no hydrogen 2.974 N/A GLN 174.A NE2 HIS 160.A NE2 no hydrogen 3.103 N/A ILE 175.A N ASP 161.A O no hydrogen 2.875 N/A LEU 176.A N LEU 187.A O no hydrogen 2.888 N/A GLU 177.A N LYS 159.A O no hydrogen 2.867 N/A GLY 178.A N VAL 185.A O no hydrogen 2.920 N/A SER 179.A N ASP 156.A O no hydrogen 2.930 N/A ILE 180.A N LEU 183.A O no hydrogen 2.861 N/A LEU 183.A N ILE 180.A O no hydrogen 2.927 N/A LYS 184.A NZ GLU 177.A OE2 no hydrogen 3.314 N/A LYS 184.A NZ GLY 178.A O no hydrogen 3.537 N/A VAL 185.A N GLY 178.A O no hydrogen 2.883 N/A PHE 186.A N LEU 223.A O no hydrogen 2.725 N/A LEU 187.A N LEU 176.A O no hydrogen 2.886 N/A LEU 188.A N PHE 225.A O no hydrogen 2.653 N/A ASN 189.A N GLN 174.A O no hydrogen 2.881 N/A ASN 189.A ND2 LEU 117.A O no hydrogen 3.362 N/A ASN 189.A ND2 GLN 174.A OE1 no hydrogen 3.480 N/A THR 190.A N GLY 227.A O no hydrogen 3.020 N/A THR 190.A OG1 THR 172.A O no hydrogen 2.607 N/A LEU 192.A N ASP 229.A O no hydrogen 2.911 N/A GLU 193.A N GLN 205.A OE1 no hydrogen 2.980 N/A THR 195.A OG1 SER 194.A O no hydrogen 2.553 N/A HIS 198.A N THR 195.A O no hydrogen 3.231 N/A HIS 198.A ND1 THR 195.A OG1 no hydrogen 2.629 N/A ARG 199.A N ARG 196.A O no hydrogen 2.929 N/A ARG 199.A NH1 GLU 235.A OE1 no hydrogen 3.280 N/A ARG 199.A NH2 GLU 235.A OE1 no hydrogen 3.373 N/A ARG 202.A N HIS 198.A O no hydrogen 2.905 N/A ARG 202.A NE GLU 236.A OE1 no hydrogen 3.014 N/A ARG 202.A NH1 GLU 193.A O no hydrogen 2.821 N/A ARG 202.A NH1 THR 195.A O no hydrogen 2.709 N/A ARG 202.A NH2 THR 195.A O no hydrogen 3.293 N/A ARG 202.A NH2 ARG 196.A O no hydrogen 3.484 N/A ARG 202.A NH2 GLU 236.A OE1 no hydrogen 3.569 N/A ARG 202.A NH2 GLU 236.A OE2 no hydrogen 2.539 N/A CYS 203.A N ARG 199.A O no hydrogen 2.787 N/A CYS 203.A SG ARG 199.A O no hydrogen 3.392 N/A CYS 203.A SG GLU 236.A O no hydrogen 3.918 N/A ALA 204.A N PRO 200.A O no hydrogen 3.228 N/A GLN 205.A N GLN 201.A O no hydrogen 2.925 N/A GLN 205.A NE2 ASN 167.A OD1 no hydrogen 3.236 N/A GLN 205.A NE2 GLU 193.A OE1 no hydrogen 2.993 N/A PHE 206.A N ARG 202.A O no hydrogen 2.921 N/A GLY 207.A N CYS 203.A O no hydrogen 3.333 N/A PHE 208.A N ALA 204.A O no hydrogen 3.113 N/A CYS 209.A N GLN 205.A O no hydrogen 2.827 N/A CYS 209.A SG GLN 205.A O no hydrogen 3.186 N/A LYS 211.A N PHE 208.A O no hydrogen 3.171 N/A VAL 212.A N CYS 209.A O no hydrogen 3.019 N/A ARG 213.A NH2 ASP 210.A OD1 no hydrogen 2.792 N/A GLU 214.A N ASP 210.A O no hydrogen 3.073 N/A ILE 215.A N LYS 211.A O no hydrogen 3.111 N/A ILE 216.A N VAL 212.A O no hydrogen 2.994 N/A ALA 217.A N ARG 213.A O no hydrogen 2.930 N/A GLN 218.A N GLU 214.A O no hydrogen 2.930 N/A ASN 219.A N ILE 215.A O no hydrogen 2.905 N/A ASN 219.A ND2 ILE 215.A O no hydrogen 2.884 N/A ALA 222.A N ASN 219.A O no hydrogen 3.256 N/A LEU 223.A N LYS 184.A O no hydrogen 2.819 N/A VAL 224.A N SER 284.A O no hydrogen 2.886 N/A PHE 225.A N PHE 186.A O no hydrogen 2.841 N/A PHE 226.A N TYR 282.A O no hydrogen 2.929 N/A GLY 227.A N LEU 188.A O no hydrogen 2.836 N/A GLY 228.A N ARG 280.A O no hydrogen 2.920 N/A LEU 230.A N PHE 278.A O no hydrogen 2.865 N/A ASN 231.A N ASP 229.A OD1 no hydrogen 3.312 N/A ASN 231.A N PHE 278.A O no hydrogen 3.219 N/A ASN 231.A ND2 LEU 192.A O no hydrogen 2.744 N/A ARG 233.A N GLU 236.A OE1 no hydrogen 2.792 N/A ARG 233.A NE ASN 231.A O no hydrogen 3.308 N/A ARG 233.A NH2 ASN 231.A O no hydrogen 3.293 N/A GLU 236.A N ARG 233.A O no hydrogen 2.917 N/A ARG 239.A NH1 ASP 242.A OD1 no hydrogen 3.388 N/A VAL 244.A N PRO 241.A O no hydrogen 3.059 N/A LYS 245.A N TRP 283.A O no hydrogen 3.146 N/A ALA 247.A N LEU 281.A O no hydrogen 2.757 N/A TRP 248.A N ASP 246.A OD1 no hydrogen 3.002 N/A TRP 248.A NE1 ASP 254.A O no hydrogen 2.826 N/A ALA 250.A N ASP 246.A O no hydrogen 2.902 N/A ALA 251.A N ALA 247.A O no hydrogen 3.007 N/A GLY 252.A N GLU 249.A O no hydrogen 3.115 N/A SER 253.A N TRP 248.A O no hydrogen 3.009 N/A LYS 256.A N ASP 254.A OD1 no hydrogen 2.964 N/A THR 257.A N ASP 254.A O no hydrogen 3.037 N/A THR 257.A OG1 ASP 254.A O no hydrogen 3.191 N/A LYS 258.A N ASN 255.A O no hydrogen 3.404 N/A THR 260.A OG1 ASP 279.A OD2 no hydrogen 2.653 N/A TRP 261.A NE1 ASP 309.A OD1 no hydrogen 2.578 N/A THR 263.A N ALA 275.A O no hydrogen 2.692 N/A PHE 264.A N ASP 262.A OD1 no hydrogen 3.062 N/A LYS 265.A N ASP 262.A O no hydrogen 3.199 N/A ASN 266.A N ASP 262.A O no hydrogen 2.652 N/A ASN 266.A ND2 SER 308.A O no hydrogen 2.689 N/A ASN 268.A N ASN 266.A OD1 no hydrogen 2.939 N/A ASN 268.A ND2 PHE 306.A O no hydrogen 2.835 N/A LYS 269.A NZ ASP 309.A OD1 no hydrogen 3.210 N/A ARG 277.A NH1 ASP 246.A OD1 no hydrogen 3.289 N/A ARG 277.A NH1 ASP 246.A OD2 no hydrogen 2.857 N/A ARG 277.A NH2 ASP 246.A OD2 no hydrogen 3.116 N/A ASP 279.A N THR 260.A OG1 no hydrogen 3.086 N/A ARG 280.A N GLY 228.A O no hydrogen 2.941 N/A ARG 280.A NE ARG 277.A O no hydrogen 2.829 N/A ARG 280.A NH2 ASP 234.A OD1 no hydrogen 2.894 N/A ARG 280.A NH2 ARG 277.A O no hydrogen 3.326 N/A TYR 282.A N PHE 226.A O no hydrogen 2.821 N/A TRP 283.A N LYS 245.A O no hydrogen 3.056 N/A TRP 283.A NE1 LEU 287.A O no hydrogen 2.783 N/A SER 284.A N VAL 224.A O no hydrogen 2.918 N/A SER 284.A OG GLY 243.A O no hydrogen 3.329 N/A LYS 289.A N PHE 318.A O no hydrogen 2.970 N/A LYS 289.A NZ ASP 288.A OD2 no hydrogen 2.646 N/A LYS 289.A NZ ALA 319.A O no hydrogen 3.095 N/A LYS 291.A N THR 316.A O no hydrogen 2.896 N/A THR 293.A N ASN 314.A O no hydrogen 2.878 N/A THR 293.A OG1 GLU 295.A OE2 no hydrogen 2.913 N/A GLU 295.A N ALA 312.A O no hydrogen 2.877 N/A ARG 299.A NH1 ASP 267.A OD1 no hydrogen 2.875 N/A ARG 299.A NH1 ASP 267.A OD2 no hydrogen 3.231 N/A ARG 299.A NH1 LEU 304.A O no hydrogen 2.925 N/A ARG 299.A NH2 ASP 267.A OD2 no hydrogen 3.047 N/A ILE 300.A N CYS 305.A O no hydrogen 2.750 N/A CYS 305.A SG PHE 306.A O no hydrogen 3.661 N/A PHE 306.A N ASN 268.A OD1 no hydrogen 2.904 N/A SER 308.A OG ASN 88.A O no hydrogen 2.618 N/A SER 308.A OG ASP 309.A OD2 no hydrogen 3.313 N/A HIS 310.A N SER 308.A OG no hydrogen 2.998 N/A HIS 310.A ND1 ASP 279.A OD2 no hydrogen 2.672 N/A TRP 311.A N THR 260.A O no hydrogen 2.687 N/A ALA 312.A N GLU 295.A O no hydrogen 2.921 N/A ILE 313.A N SER 86.A O no hydrogen 2.925 N/A ASN 314.A N THR 293.A O no hydrogen 2.889 N/A ALA 315.A N VAL 85.A O no hydrogen 2.891 N/A THR 316.A N LYS 291.A O no hydrogen 2.854 N/A PHE 317.A N VAL 83.A O no hydrogen 2.848 N/A PHE 318.A N LYS 289.A O no hydrogen 2.957 N/A