Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u4n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N ASP 2.A OD2 no hydrogen 3.305 N/A GLN 6.A N ASP 2.A O no hydrogen 2.947 N/A GLN 6.A NE2 GLN 6.A O no hydrogen 2.975 N/A GLN 6.A NE2 ASP 10.A OD2 no hydrogen 2.649 N/A GLN 7.A N PRO 3.A O no hydrogen 3.107 N/A GLN 7.A NE2 SER 287.A O no hydrogen 2.934 N/A VAL 8.A N VAL 4.A O no hydrogen 3.365 N/A LEU 9.A N ILE 5.A O no hydrogen 2.813 N/A ASP 10.A N GLN 6.A O no hydrogen 2.945 N/A GLN 11.A N GLN 7.A O no hydrogen 3.437 N/A LEU 12.A N VAL 8.A O no hydrogen 3.154 N/A ASN 13.A N LEU 9.A O no hydrogen 2.792 N/A ARG 14.A N ASP 10.A O no hydrogen 3.290 N/A MET 15.A N LEU 12.A O no hydrogen 3.361 N/A LYS 21.A N ASP 19.A OD2 no hydrogen 3.181 N/A HIS 22.A N ASP 19.A O no hydrogen 2.967 N/A HIS 22.A ND1 ASP 19.A OD1 no hydrogen 3.013 N/A SER 24.A N GLN 27.A OE1 no hydrogen 2.914 N/A GLN 27.A N SER 24.A OG no hydrogen 2.966 N/A PHE 28.A N SER 24.A O no hydrogen 3.002 N/A ARG 29.A N ALA 25.A O no hydrogen 2.977 N/A SER 30.A N GLN 26.A O no hydrogen 3.145 N/A SER 30.A N GLN 27.A O no hydrogen 3.237 N/A SER 30.A OG GLN 26.A O no hydrogen 3.161 N/A SER 30.A OG GLN 27.A O no hydrogen 3.285 N/A GLN 31.A N GLN 27.A O no hydrogen 2.700 N/A GLN 32.A N PHE 28.A O no hydrogen 2.971 N/A GLN 32.A NE2 TYR 20.A OH no hydrogen 3.350 N/A LYS 39.A N SER 287.A OG no hydrogen 2.996 N/A LYS 39.A NZ GLU 41.A OE1 no hydrogen 2.904 N/A LYS 40.A NZ SER 30.A O no hydrogen 3.042 N/A LYS 40.A NZ ASP 92.A OD2 no hydrogen 3.178 N/A GLU 45.A N ARG 64.A O no hydrogen 2.990 N/A ARG 47.A N MET 62.A O no hydrogen 2.943 N/A PHE 49.A N VAL 60.A O no hydrogen 3.063 N/A MET 51.A N LEU 58.A O no hydrogen 2.773 N/A LEU 53.A N ARG 56.A O no hydrogen 2.865 N/A ARG 56.A N LEU 53.A O no hydrogen 3.055 N/A ARG 56.A NE ASP 125.A OD1 no hydrogen 2.800 N/A ARG 56.A NH1 PRO 54.A O no hydrogen 2.738 N/A ARG 56.A NH2 ASP 125.A OD1 no hydrogen 2.885 N/A ARG 56.A NH2 ASP 128.A OD2 no hydrogen 2.653 N/A THR 57.A OG1 ASP 52.A OD2 no hydrogen 3.026 N/A LEU 58.A N MET 51.A O no hydrogen 3.098 N/A LYS 59.A NZ GLU 48.A OE2 no hydrogen 2.853 N/A VAL 60.A N PHE 49.A O no hydrogen 2.896 N/A ARG 61.A N SER 108.A O no hydrogen 3.023 N/A ARG 61.A NE GLU 48.A OE1 no hydrogen 2.775 N/A ARG 61.A NH1 ASP 92.A OD1 no hydrogen 3.137 N/A ARG 61.A NH2 GLU 48.A OE1 no hydrogen 2.839 N/A MET 62.A N ARG 47.A O no hydrogen 2.603 N/A TYR 63.A N VAL 106.A O no hydrogen 2.739 N/A TYR 63.A OH ASP 92.A OD1 no hydrogen 2.609 N/A ARG 64.A N GLU 45.A O no hydrogen 2.798 N/A ARG 64.A NE GLU 45.A OE2 no hydrogen 2.808 N/A ARG 64.A NH2 GLU 45.A OE2 no hydrogen 2.872 N/A TYR 72.A N HIS 141.A O no hydrogen 2.743 N/A ALA 74.A N ARG 146.A O no hydrogen 2.848 N/A LEU 75.A N VAL 105.A O no hydrogen 2.815 N/A VAL 76.A N ALA 148.A O no hydrogen 2.814 N/A TYR 77.A N PHE 107.A O no hydrogen 2.711 N/A TYR 77.A OH ASP 152.A OD1 no hydrogen 2.423 N/A TYR 78.A N GLY 150.A O no hydrogen 2.928 N/A TYR 78.A OH ALA 126.A O no hydrogen 2.716 N/A HIS 79.A ND1 GLY 80.A O no hydrogen 2.703 N/A GLY 80.A N HIS 91.A NE2 no hydrogen 3.258 N/A GLY 80.A N ASP 152.A OD1 no hydrogen 2.929 N/A VAL 84.A N GLY 81.A O no hydrogen 3.055 N/A VAL 85.A N GLY 81.A O no hydrogen 2.892 N/A ASP 87.A N THR 90.A OG1 no hydrogen 2.963 N/A GLU 89.A N ASP 87.A OD1 no hydrogen 2.767 N/A THR 90.A N ASP 87.A OD1 no hydrogen 2.890 N/A THR 90.A OG1 ASP 87.A O no hydrogen 3.150 N/A THR 90.A OG1 HIS 91.A ND1 no hydrogen 2.772 N/A HIS 91.A ND1 THR 90.A OG1 no hydrogen 2.772 N/A HIS 91.A NE2 ASP 152.A OD2 no hydrogen 2.937 N/A ASP 92.A N GLU 89.A O no hydrogen 3.099 N/A CYS 95.A N HIS 91.A O no hydrogen 2.882 N/A CYS 95.A SG HIS 91.A O no hydrogen 3.549 N/A ARG 96.A N ASP 92.A O no hydrogen 3.014 N/A ARG 96.A NE ASP 92.A OD2 no hydrogen 2.730 N/A ARG 96.A NH1 GLU 41.A O no hydrogen 2.869 N/A VAL 97.A N PRO 93.A O no hydrogen 3.293 N/A VAL 97.A N VAL 94.A O no hydrogen 3.239 N/A LEU 98.A N VAL 94.A O no hydrogen 3.056 N/A ALA 99.A N CYS 95.A O no hydrogen 2.874 N/A LYS 100.A N ARG 96.A O no hydrogen 2.862 N/A LYS 100.A NZ GLU 41.A OE2 no hydrogen 3.159 N/A ASP 101.A N VAL 97.A O no hydrogen 2.726 N/A ARG 103.A NE LYS 100.A O no hydrogen 2.792 N/A ARG 103.A NH1 GLU 66.A O no hydrogen 3.239 N/A ARG 103.A NH2 GLU 66.A O no hydrogen 2.988 N/A ARG 103.A NH2 LYS 100.A O no hydrogen 2.824 N/A ALA 104.A N ALA 99.A O no hydrogen 3.318 N/A VAL 105.A N PRO 73.A O no hydrogen 2.938 N/A VAL 106.A N TYR 63.A O no hydrogen 2.909 N/A PHE 107.A N LEU 75.A O no hydrogen 2.834 N/A SER 108.A N ARG 61.A O no hydrogen 2.819 N/A VAL 109.A N TYR 77.A O no hydrogen 2.932 N/A ASP 110.A N LYS 59.A O no hydrogen 3.071 N/A TYR 111.A OH HIS 79.A O no hydrogen 2.500 N/A ARG 112.A N ASP 125.A OD2 no hydrogen 2.809 N/A ARG 112.A NE ASP 125.A OD1 no hydrogen 2.995 N/A ARG 112.A NE ASP 125.A OD2 no hydrogen 2.847 N/A ARG 112.A NH2 GLU 124.A OE1 no hydrogen 3.235 N/A ARG 112.A NH2 ASP 125.A OD1 no hydrogen 2.718 N/A ALA 114.A N TRP 83.A O no hydrogen 2.799 N/A GLU 116.A N GLU 116.A OE2 no hydrogen 2.641 N/A HIS 117.A N LEU 113.A O no hydrogen 2.783 N/A LYS 118.A NZ ASP 214.A O no hydrogen 3.184 N/A LYS 118.A NZ GLN 215.A O no hydrogen 2.837 N/A LYS 118.A NZ LEU 217.A O no hydrogen 2.900 N/A PHE 119.A N TYR 216.A O no hydrogen 2.744 N/A ALA 121.A N LYS 118.A O no hydrogen 3.008 N/A GLU 124.A N PRO 120.A O no hydrogen 3.025 N/A ASP 125.A N ALA 121.A O no hydrogen 2.939 N/A ALA 126.A N ALA 122.A O no hydrogen 2.777 N/A TYR 127.A N VAL 123.A O no hydrogen 3.125 N/A TYR 127.A OH GLY 171.A O no hydrogen 2.623 N/A ASP 128.A N GLU 124.A O no hydrogen 2.835 N/A ALA 129.A N ASP 125.A O no hydrogen 2.765 N/A LEU 130.A N ALA 126.A O no hydrogen 3.135 N/A GLN 131.A N TYR 127.A O no hydrogen 2.893 N/A TRP 132.A N ASP 128.A O no hydrogen 2.755 N/A ILE 133.A N ALA 129.A O no hydrogen 2.963 N/A ALA 134.A N LEU 130.A O no hydrogen 2.853 N/A GLU 135.A N GLN 131.A O no hydrogen 3.004 N/A ARG 136.A N ILE 133.A O no hydrogen 3.044 N/A ARG 136.A NH1 TRP 132.A O no hydrogen 3.004 N/A ARG 136.A NH1 GLU 135.A OE2 no hydrogen 2.877 N/A ALA 137.A N ALA 134.A O no hydrogen 3.032 N/A PHE 140.A N ALA 137.A O no hydrogen 3.077 N/A HIS 141.A N ALA 138.A O no hydrogen 2.907 N/A LEU 142.A N ALA 137.A O no hydrogen 2.860 N/A ASP 143.A N TYR 72.A O no hydrogen 2.744 N/A ALA 145.A N ASP 143.A OD2 no hydrogen 2.899 N/A ARG 146.A N ASP 143.A O no hydrogen 2.752 N/A ARG 146.A NE ASP 143.A OD1 no hydrogen 2.929 N/A ARG 146.A NH1 LEU 307.A O no hydrogen 2.708 N/A ALA 148.A N ALA 74.A O no hydrogen 2.789 N/A VAL 149.A N PHE 176.A O no hydrogen 2.921 N/A GLY 150.A N VAL 76.A O no hydrogen 3.018 N/A GLY 151.A N LEU 178.A O no hydrogen 3.055 N/A SER 153.A N ILE 180.A O no hydrogen 2.843 N/A SER 153.A OG HIS 280.A NE2 no hydrogen 2.589 N/A GLY 155.A N ASP 152.A O no hydrogen 2.761 N/A ASN 157.A N SER 153.A O no hydrogen 3.069 N/A ASN 157.A ND2 SER 183.A O no hydrogen 2.911 N/A ASN 157.A ND2 PHE 228.A O no hydrogen 2.639 N/A LEU 158.A N ALA 154.A O no hydrogen 2.922 N/A ALA 159.A N GLY 155.A O no hydrogen 2.888 N/A ALA 160.A N GLY 156.A O no hydrogen 3.049 N/A VAL 161.A N ASN 157.A O no hydrogen 2.892 N/A THR 162.A N LEU 158.A O no hydrogen 2.847 N/A THR 162.A OG1 LEU 158.A O no hydrogen 2.716 N/A SER 163.A N ALA 159.A O no hydrogen 3.166 N/A SER 163.A OG ALA 159.A O no hydrogen 2.885 N/A ILE 164.A N ALA 160.A O no hydrogen 3.426 N/A LEU 165.A N VAL 161.A O no hydrogen 2.835 N/A ALA 166.A N THR 162.A O no hydrogen 2.799 N/A LYS 167.A N SER 163.A O no hydrogen 3.147 N/A LYS 167.A NZ ASP 235.A O no hydrogen 3.122 N/A LYS 167.A NZ ASP 235.A OD2 no hydrogen 2.654 N/A LYS 167.A NZ SER 237.A O no hydrogen 2.692 N/A GLU 168.A N ILE 164.A O no hydrogen 2.962 N/A ARG 169.A N LEU 165.A O no hydrogen 2.780 N/A GLY 170.A N LYS 167.A O no hydrogen 3.113 N/A GLY 171.A N ALA 166.A O no hydrogen 2.754 N/A ALA 175.A N ILE 147.A O no hydrogen 2.850 N/A GLN 177.A N PRO 241.A O no hydrogen 3.123 N/A GLN 177.A NE2 PRO 240.A O no hydrogen 2.851 N/A LEU 178.A N VAL 149.A O no hydrogen 2.817 N/A LEU 179.A N TYR 243.A O no hydrogen 2.917 N/A ILE 180.A N GLY 151.A O no hydrogen 3.003 N/A TYR 181.A N ALA 245.A O no hydrogen 2.648 N/A SER 183.A N SER 153.A O no hydrogen 3.347 N/A THR 184.A OG1 VAL 255.A O no hydrogen 3.333 N/A ALA 189.A N ASP 187.A OD1 no hydrogen 3.190 N/A HIS 190.A N ASP 187.A O no hydrogen 2.758 N/A SER 194.A N ASP 254.A OD1 no hydrogen 2.709 N/A SER 194.A OG PRO 251.A O no hydrogen 2.652 N/A ILE 195.A N PRO 192.A O no hydrogen 3.165 N/A GLU 197.A N ALA 193.A O no hydrogen 3.011 N/A ASN 198.A N SER 194.A O no hydrogen 2.856 N/A ASN 198.A ND2 GLN 248.A O no hydrogen 3.117 N/A ASN 198.A ND2 ASP 250.A O no hydrogen 3.254 N/A ALA 199.A N GLU 196.A O no hydrogen 3.448 N/A GLY 206.A N ALA 199.A O no hydrogen 2.968 N/A MET 208.A N THR 205.A OG1 no hydrogen 3.268 N/A SER 209.A N THR 205.A O no hydrogen 2.928 N/A SER 209.A OG THR 205.A O no hydrogen 2.690 N/A LEU 210.A N GLY 206.A O no hydrogen 3.038 N/A TRP 211.A N GLY 207.A O no hydrogen 2.868 N/A PHE 212.A N MET 208.A O no hydrogen 2.905 N/A LEU 213.A N SER 209.A O no hydrogen 3.158 N/A ASP 214.A N LEU 210.A O no hydrogen 3.051 N/A GLN 215.A N TRP 211.A O no hydrogen 3.146 N/A TYR 216.A N PHE 212.A O no hydrogen 2.890 N/A LEU 217.A N LEU 213.A O no hydrogen 2.755 N/A ASN 218.A N GLU 222.A OE2 no hydrogen 2.695 N/A ASN 218.A ND2 PHE 119.A O no hydrogen 2.825 N/A ASN 218.A ND2 GLU 222.A OE1 no hydrogen 3.143 N/A ASN 218.A ND2 GLU 222.A OE2 no hydrogen 3.164 N/A SER 219.A N GLU 222.A OE2 no hydrogen 3.334 N/A GLU 222.A N SER 219.A O no hydrogen 3.065 N/A LEU 223.A N LEU 220.A O no hydrogen 3.040 N/A THR 224.A N GLU 221.A O no hydrogen 3.254 N/A THR 224.A OG1 GLU 221.A O no hydrogen 3.263 N/A HIS 225.A N GLU 222.A O no hydrogen 3.044 N/A TRP 227.A N HIS 225.A ND1 no hydrogen 2.977 N/A PHE 228.A N HIS 225.A O no hydrogen 2.831 N/A SER 229.A N HIS 225.A O no hydrogen 2.774 N/A VAL 231.A N THR 184.A O no hydrogen 3.256 N/A LEU 232.A N SER 229.A O no hydrogen 2.976 N/A TYR 233.A N PRO 230.A O no hydrogen 2.896 N/A TYR 233.A OH GLU 168.A OE2 no hydrogen 2.531 N/A SER 237.A OG ASP 235.A OD1 no hydrogen 2.577 N/A SER 237.A OG ASP 235.A OD2 no hydrogen 3.228 N/A ALA 242.A N LYS 269.A O no hydrogen 2.974 N/A TYR 243.A N GLN 177.A O no hydrogen 3.100 N/A TYR 243.A OH GLU 273.A OE2 no hydrogen 2.415 N/A ILE 244.A N GLU 271.A O no hydrogen 2.761 N/A ALA 245.A N LEU 179.A O no hydrogen 2.985 N/A THR 246.A N GLU 273.A O no hydrogen 3.070 N/A THR 246.A OG1 ASN 274.A OD1 no hydrogen 2.704 N/A GLN 248.A N PHE 275.A O no hydrogen 3.106 N/A TYR 249.A N LEU 278.A O no hydrogen 3.238 N/A ASP 250.A N ALA 247.A O no hydrogen 3.047 N/A LEU 252.A N ASP 250.A OD1 no hydrogen 2.708 N/A ARG 253.A N ASP 250.A O no hydrogen 2.771 N/A ARG 253.A NE ASP 254.A OD2 no hydrogen 2.972 N/A ARG 253.A NH1 GLU 197.A OE1 no hydrogen 2.780 N/A ARG 253.A NH1 GLU 197.A OE2 no hydrogen 3.332 N/A ARG 253.A NH1 ASP 254.A OD1 no hydrogen 3.469 N/A ARG 253.A NH2 GLU 197.A OE2 no hydrogen 3.010 N/A ARG 253.A NH2 GLN 248.A O no hydrogen 2.859 N/A ASP 254.A N SER 194.A OG no hydrogen 2.884 N/A GLY 256.A N LEU 252.A O no hydrogen 3.039 N/A LYS 257.A N ARG 253.A O no hydrogen 3.297 N/A LEU 258.A N ASP 254.A O no hydrogen 2.739 N/A TYR 259.A N VAL 255.A O no hydrogen 3.157 N/A ALA 260.A N GLY 256.A O no hydrogen 3.028 N/A GLU 261.A N LYS 257.A O no hydrogen 2.961 N/A ALA 262.A N LEU 258.A O no hydrogen 3.093 N/A LEU 263.A N TYR 259.A O no hydrogen 2.914 N/A ASN 264.A N ALA 260.A O no hydrogen 2.976 N/A LYS 265.A N GLU 261.A O no hydrogen 2.842 N/A ALA 266.A N ALA 262.A O no hydrogen 2.934 N/A ALA 266.A N LEU 263.A O no hydrogen 2.965 N/A GLY 267.A N ASN 264.A O no hydrogen 2.805 N/A VAL 268.A N LEU 263.A O no hydrogen 2.920 N/A GLU 271.A N ALA 242.A O no hydrogen 2.840 N/A GLU 273.A N ILE 244.A O no hydrogen 2.940 N/A PHE 275.A N THR 246.A O no hydrogen 2.772 N/A LEU 278.A N PHE 275.A O no hydrogen 3.306 N/A HIS 280.A ND1 ASP 250.A OD2 no hydrogen 2.514 N/A HIS 280.A NE2 SER 153.A OG no hydrogen 2.589 N/A ALA 283.A N TYR 181.A OH no hydrogen 2.956 N/A GLN 284.A N GLY 281.A O no hydrogen 3.027 N/A PHE 285.A N PHE 282.A O no hydrogen 2.793 N/A TYR 286.A N ALA 283.A O no hydrogen 3.055 N/A TYR 286.A OH GLU 41.A OE1 no hydrogen 2.579 N/A SER 287.A N THR 293.A OG1 no hydrogen 2.641 N/A SER 287.A OG TYR 286.A O no hydrogen 2.310 N/A LEU 288.A N PHE 285.A O no hydrogen 2.806 N/A SER 289.A N PHE 285.A O no hydrogen 2.921 N/A ALA 292.A N SER 289.A OG no hydrogen 3.142 N/A THR 293.A N SER 289.A O no hydrogen 2.901 N/A THR 293.A OG1 SER 289.A O no hydrogen 2.744 N/A LYS 294.A N PRO 290.A O no hydrogen 3.005 N/A ALA 295.A N GLY 291.A O no hydrogen 3.025 N/A LEU 296.A N ALA 292.A O no hydrogen 3.020 N/A VAL 297.A N THR 293.A O no hydrogen 3.195 N/A ARG 298.A N LYS 294.A O no hydrogen 3.036 N/A ARG 298.A NE GLU 273.A OE1 no hydrogen 3.265 N/A ARG 298.A NE GLU 273.A OE2 no hydrogen 2.680 N/A ARG 298.A NH2 GLU 273.A OE1 no hydrogen 3.123 N/A ILE 299.A N ALA 295.A O no hydrogen 2.952 N/A ALA 300.A N LEU 296.A O no hydrogen 2.797 N/A GLU 301.A N VAL 297.A O no hydrogen 2.827 N/A LYS 302.A N ARG 298.A O no hydrogen 2.938 N/A LYS 302.A N ILE 299.A O no hydrogen 2.983 N/A LYS 302.A NZ GLU 271.A OE2 no hydrogen 2.905 N/A LEU 303.A N ILE 299.A O no hydrogen 3.174 N/A ARG 304.A N ALA 300.A O no hydrogen 3.024 N/A ARG 304.A NE ASP 305.A OD1 no hydrogen 3.051 N/A ARG 304.A NH2 ASP 305.A OD1 no hydrogen 3.278 N/A ASP 305.A N GLU 301.A O no hydrogen 3.046 N/A ALA 306.A N LYS 302.A O no hydrogen 3.098 N/A LEU 307.A N LEU 303.A O no hydrogen 3.130 N/A ALA 308.A N ASP 305.A O no hydrogen 3.420 N/A