Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ml5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 PRO 86.A O no hydrogen 2.753 N/A THR 3.A OG1 GLU 18.A OE1 no hydrogen 3.277 N/A TYR 5.A N VAL 16.A O no hydrogen 2.869 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.399 N/A GLN 7.A N TRP 14.A O no hydrogen 2.907 N/A LEU 9.A N THR 12.A O no hydrogen 2.886 N/A THR 12.A N LEU 9.A O no hydrogen 2.996 N/A TRP 14.A N GLN 7.A O no hydrogen 2.741 N/A GLU 15.A N TYR 97.A OH no hydrogen 2.984 N/A VAL 16.A N TYR 5.A O no hydrogen 2.933 N/A GLU 18.A N THR 3.A O no hydrogen 2.922 N/A ARG 19.A NE ASP 37.A OD1 no hydrogen 2.952 N/A ARG 19.A NH2 ASP 37.A OD1 no hydrogen 3.474 N/A ARG 19.A NH2 ASP 37.A OD2 no hydrogen 2.649 N/A TYR 20.A N PRO 17.A O no hydrogen 2.996 N/A TYR 20.A OH ASP 82.A OD1 no hydrogen 2.550 N/A GLN 21.A N PHE 36.A O no hydrogen 2.946 N/A GLN 21.A NE2 GLU 18.A O no hydrogen 2.758 N/A SER 24.A N ALA 34.A O no hydrogen 2.997 N/A VAL 26.A N VAL 32.A O no hydrogen 2.878 N/A SER 31.A N LYS 48.A O no hydrogen 3.297 N/A VAL 32.A N GLY 27.A O no hydrogen 2.877 N/A CYS 33.A N VAL 46.A O no hydrogen 2.881 N/A ALA 34.A N SER 24.A O no hydrogen 2.848 N/A ALA 35.A N VAL 44.A O no hydrogen 2.844 N/A PHE 36.A N GLN 21.A O no hydrogen 2.882 N/A ASP 37.A N LEU 42.A O no hydrogen 2.868 N/A THR 38.A N ARG 19.A O no hydrogen 2.955 N/A THR 38.A OG1 ARG 19.A O no hydrogen 2.902 N/A LYS 39.A N ASP 37.A OD1 no hydrogen 3.159 N/A THR 40.A OG1 ASP 37.A O no hydrogen 3.416 N/A THR 40.A OG1 ASP 37.A OD2 no hydrogen 2.675 N/A GLY 41.A N ASP 37.A O no hydrogen 2.733 N/A LEU 42.A N THR 40.A OG1 no hydrogen 3.205 N/A VAL 44.A N ALA 35.A O no hydrogen 2.860 N/A ALA 45.A N THR 100.A O no hydrogen 2.885 N/A VAL 46.A N CYS 33.A O no hydrogen 2.823 N/A LYS 47.A N LEU 98.A O no hydrogen 2.642 N/A LYS 47.A NZ GLU 65.A OE1 no hydrogen 2.606 N/A LYS 48.A N SER 31.A O no hydrogen 2.836 N/A LYS 48.A NZ THR 12.A OG1 no hydrogen 2.984 N/A LYS 48.A NZ ILE 13.A O no hydrogen 2.939 N/A LEU 49.A N VAL 96.A O no hydrogen 3.074 N/A SER 50.A N TYR 29.A O no hydrogen 2.741 N/A ARG 51.A NH2 GLN 54.A OE1 no hydrogen 3.369 N/A HIS 58.A N SER 55.A OG no hydrogen 3.034 N/A HIS 58.A ND1 ARG 51.A O no hydrogen 2.901 N/A ALA 59.A N SER 55.A O no hydrogen 2.955 N/A LYS 60.A N ILE 56.A O no hydrogen 2.957 N/A LYS 60.A NZ GLU 302.A O no hydrogen 2.751 N/A LYS 60.A NZ ARG 304.A O no hydrogen 2.981 N/A ARG 61.A N ILE 57.A O no hydrogen 3.070 N/A THR 62.A N HIS 58.A O no hydrogen 2.938 N/A THR 62.A OG1 PRO 52.A O no hydrogen 2.998 N/A THR 62.A OG1 HIS 58.A O no hydrogen 2.991 N/A TYR 63.A N ALA 59.A O no hydrogen 3.036 N/A ARG 64.A N LYS 60.A O no hydrogen 2.864 N/A ARG 64.A NE GLU 302.A OE1 no hydrogen 2.655 N/A ARG 64.A NE GLU 302.A OE2 no hydrogen 3.371 N/A ARG 64.A NH2 GLU 302.A OE2 no hydrogen 2.726 N/A GLU 65.A N ARG 61.A O no hydrogen 2.908 N/A LEU 66.A N THR 62.A O no hydrogen 3.064 N/A ARG 67.A N TYR 63.A O no hydrogen 2.870 N/A ARG 67.A NH1 TYR 63.A OH no hydrogen 3.018 N/A ARG 67.A NH2 ASP 298.A O no hydrogen 2.821 N/A LEU 68.A N ARG 64.A O no hydrogen 2.958 N/A LEU 69.A N GLU 65.A O no hydrogen 3.025 N/A LYS 70.A N LEU 66.A O no hydrogen 2.963 N/A LYS 70.A NZ GLU 318.A O no hydrogen 2.851 N/A LYS 70.A NZ GLU 318.A OE1 no hydrogen 2.722 N/A HIS 71.A N ARG 67.A O no hydrogen 3.061 N/A HIS 71.A N LEU 68.A O no hydrogen 3.059 N/A HIS 71.A NE2 ASP 295.A O no hydrogen 2.776 N/A MET 72.A N LEU 68.A O no hydrogen 3.136 N/A LYS 73.A N TYR 134.A OH no hydrogen 2.942 N/A ASN 76.A ND2 LEU 158.A O no hydrogen 3.103 N/A VAL 77.A N HIS 74.A O no hydrogen 3.196 N/A ILE 78.A N ILE 160.A O no hydrogen 2.995 N/A LEU 81.A N VAL 99.A O no hydrogen 2.776 N/A ASP 82.A N VAL 99.A O no hydrogen 3.334 N/A PHE 84.A N TYR 97.A O no hydrogen 3.029 N/A THR 85.A OG1 ASP 95.A O no hydrogen 2.753 N/A ALA 87.A N THR 85.A OG1 no hydrogen 3.282 N/A ARG 88.A N GLU 92.A OE2 no hydrogen 2.630 N/A GLU 92.A N SER 89.A O no hydrogen 3.148 N/A GLU 92.A N SER 89.A OG no hydrogen 3.097 N/A PHE 93.A N LEU 90.A O no hydrogen 3.003 N/A TYR 97.A N PHE 84.A O no hydrogen 2.961 N/A LEU 98.A N LYS 47.A O no hydrogen 2.877 N/A VAL 99.A N ASP 82.A O no hydrogen 2.861 N/A THR 100.A N ALA 45.A O no hydrogen 3.085 N/A THR 100.A OG1 GLY 79.A O no hydrogen 2.498 N/A LEU 102.A N ARG 43.A O no hydrogen 2.871 N/A LEU 107.A N LEU 150.A O no hydrogen 2.920 N/A ASN 109.A N ASP 106.A OD2 no hydrogen 2.932 N/A ILE 110.A N ASP 106.A O no hydrogen 3.166 N/A VAL 111.A N LEU 107.A O no hydrogen 3.061 N/A VAL 111.A N ASN 108.A O no hydrogen 2.978 N/A LYS 112.A N ASN 108.A O no hydrogen 2.866 N/A LEU 116.A N LEU 196.A O no hydrogen 3.061 N/A HIS 120.A N THR 117.A OG1 no hydrogen 3.143 N/A VAL 121.A N THR 117.A O no hydrogen 2.990 N/A GLN 122.A N ASP 118.A O no hydrogen 2.877 N/A GLN 122.A NE2 ASP 118.A OD2 no hydrogen 2.875 N/A PHE 123.A N ASP 119.A O no hydrogen 3.149 N/A LEU 124.A N HIS 120.A O no hydrogen 2.966 N/A ILE 125.A N VAL 121.A O no hydrogen 2.996 N/A TYR 126.A N GLN 122.A O no hydrogen 2.948 N/A TYR 126.A OH GLU 291.A OE1 no hydrogen 2.626 N/A GLN 127.A N PHE 123.A O no hydrogen 3.170 N/A GLN 127.A NE2 PHE 123.A O no hydrogen 3.443 N/A GLN 127.A NE2 CYS 156.A O no hydrogen 2.927 N/A ILE 128.A N LEU 124.A O no hydrogen 3.165 N/A LEU 129.A N ILE 125.A O no hydrogen 2.855 N/A ARG 130.A N TYR 126.A O no hydrogen 2.879 N/A ARG 130.A NE ASP 290.A O no hydrogen 2.885 N/A ARG 130.A NH1 GLU 75.A OE2 no hydrogen 3.174 N/A ARG 130.A NH1 ASN 76.A OD1 no hydrogen 2.704 N/A ARG 130.A NH2 ASP 290.A O no hydrogen 3.118 N/A ARG 130.A NH2 ASP 290.A OD2 no hydrogen 3.081 N/A GLY 131.A N GLN 127.A O no hydrogen 2.939 N/A LEU 132.A N ILE 128.A O no hydrogen 2.803 N/A LYS 133.A N LEU 129.A O no hydrogen 2.783 N/A LYS 133.A NZ GLU 291.A O no hydrogen 2.830 N/A TYR 134.A N ARG 130.A O no hydrogen 3.382 N/A TYR 134.A OH HIS 71.A O no hydrogen 3.208 N/A ILE 135.A N GLY 131.A O no hydrogen 2.965 N/A HIS 136.A N LEU 132.A O no hydrogen 2.811 N/A HIS 136.A NE2 ASP 185.A OD1 no hydrogen 2.767 N/A SER 137.A N LYS 133.A O no hydrogen 2.999 N/A SER 137.A OG LYS 133.A O no hydrogen 3.467 N/A SER 137.A OG TYR 134.A O no hydrogen 2.467 N/A ALA 138.A N TYR 134.A O no hydrogen 3.362 N/A ALA 138.A N ILE 135.A O no hydrogen 3.035 N/A ASP 139.A N HIS 136.A O no hydrogen 2.896 N/A ILE 140.A N ILE 135.A O no hydrogen 3.398 N/A HIS 142.A N ASP 185.A OD1 no hydrogen 2.846 N/A HIS 142.A NE2 ASN 149.A OD1 no hydrogen 2.939 N/A ARG 143.A N ASP 185.A OD2 no hydrogen 2.891 N/A LYS 146.A NZ ASP 144.A OD1 no hydrogen 2.566 N/A LYS 146.A NZ ASP 144.A OD2 no hydrogen 3.189 N/A LYS 146.A NZ THR 165.A O no hydrogen 3.185 N/A ASN 149.A N LYS 146.A O no hydrogen 2.933 N/A LEU 150.A N PRO 147.A O no hydrogen 3.125 N/A ALA 151.A N LYS 159.A O no hydrogen 2.875 N/A VAL 152.A N ALA 105.A O no hydrogen 3.065 N/A ASN 153.A N GLU 157.A O no hydrogen 3.055 N/A CYS 156.A N ASN 153.A O no hydrogen 2.944 N/A CYS 156.A SG HIS 120.A NE2 no hydrogen 3.314 N/A LEU 158.A N GLN 127.A OE1 no hydrogen 2.881 N/A LYS 159.A N ALA 151.A O no hydrogen 2.766 N/A LYS 159.A NZ GLU 75.A O no hydrogen 3.174 N/A LYS 159.A NZ VAL 77.A O no hydrogen 3.105 N/A ILE 160.A N ASN 76.A O no hydrogen 2.877 N/A LEU 161.A N ASN 149.A O no hydrogen 2.784 N/A TRP 167.A NE1 GLY 205.A O no hydrogen 2.818 N/A TYR 168.A OH GLU 195.A OE1 no hydrogen 2.511 N/A ARG 169.A N ARG 166.A O no hydrogen 3.035 N/A ARG 169.A NE ASP 144.A OD2 no hydrogen 2.959 N/A ARG 169.A NH2 ASP 144.A OD1 no hydrogen 3.394 N/A GLU 172.A N GLU 172.A OE2 no hydrogen 2.802 N/A MET 174.A N ALA 170.A O no hydrogen 3.028 N/A LEU 175.A N GLU 172.A O no hydrogen 3.182 N/A ASN 176.A N ILE 173.A O no hydrogen 3.184 N/A TRP 177.A N GLU 172.A O no hydrogen 2.967 N/A MET 178.A N TYR 180.A OH no hydrogen 3.147 N/A THR 183.A OG1 SER 267.A O no hydrogen 2.776 N/A VAL 184.A N ASN 181.A O no hydrogen 2.972 N/A ASP 185.A N GLN 182.A O no hydrogen 3.033 N/A TRP 187.A N THR 183.A O no hydrogen 3.176 N/A SER 188.A OG TYR 168.A O no hydrogen 2.643 N/A VAL 189.A N ASP 185.A O no hydrogen 2.967 N/A GLY 190.A N ILE 186.A O no hydrogen 2.912 N/A CYS 191.A N TRP 187.A O no hydrogen 3.036 N/A CYS 191.A SG TRP 167.A O no hydrogen 3.941 N/A CYS 191.A SG TRP 187.A O no hydrogen 3.584 N/A ILE 192.A N SER 188.A O no hydrogen 2.891 N/A MET 193.A N VAL 189.A O no hydrogen 2.823 N/A ALA 194.A N GLY 190.A O no hydrogen 2.866 N/A GLU 195.A N CYS 191.A O no hydrogen 3.303 N/A LEU 196.A N ILE 192.A O no hydrogen 2.882 N/A LEU 197.A N MET 193.A O no hydrogen 2.956 N/A THR 198.A N ALA 194.A O no hydrogen 2.965 N/A THR 198.A OG1 ALA 194.A O no hydrogen 2.884 N/A GLY 199.A N GLU 195.A O no hydrogen 2.735 N/A ARG 200.A N THR 198.A OG1 no hydrogen 3.069 N/A GLY 205.A N PHE 203.A O no hydrogen 2.747 N/A THR 206.A N ASP 210.A OD1 no hydrogen 2.779 N/A THR 206.A OG1 ASP 210.A OD1 no hydrogen 3.116 N/A ASP 210.A N ASP 207.A OD2 no hydrogen 2.843 N/A GLN 211.A N ASP 207.A O no hydrogen 3.048 N/A GLN 211.A NE2 ARG 166.A O no hydrogen 2.701 N/A LEU 212.A N HIS 208.A O no hydrogen 3.207 N/A LYS 213.A N ILE 209.A O no hydrogen 2.955 N/A LEU 214.A N ASP 210.A O no hydrogen 2.974 N/A ILE 215.A N GLN 211.A O no hydrogen 2.993 N/A LEU 216.A N LEU 212.A O no hydrogen 3.088 N/A ARG 217.A N LYS 213.A O no hydrogen 2.982 N/A LEU 218.A N LEU 214.A O no hydrogen 3.095 N/A VAL 219.A N ILE 215.A O no hydrogen 3.097 N/A GLY 220.A N LEU 216.A O no hydrogen 2.788 N/A THR 221.A OG1 THR 243.A OG1 no hydrogen 2.592 N/A LEU 227.A N GLY 223.A O no hydrogen 2.903 N/A LYS 228.A N ALA 224.A O no hydrogen 3.232 N/A LYS 229.A N LEU 226.A O no hydrogen 2.992 N/A LYS 229.A NZ ASP 266.A OD1 no hydrogen 3.093 N/A LYS 229.A NZ ASP 266.A OD2 no hydrogen 2.711 N/A LYS 229.A NZ ASP 268.A OD1 no hydrogen 2.705 N/A ILE 230.A N LEU 227.A O no hydrogen 3.165 N/A SER 234.A OG SER 232.A OG no hydrogen 2.754 N/A ALA 235.A N SER 232.A OG no hydrogen 2.836 N/A ARG 236.A N SER 232.A O no hydrogen 3.071 N/A ARG 236.A NH2 ILE 230.A O no hydrogen 2.808 N/A ASN 237.A N GLU 233.A O no hydrogen 2.773 N/A TYR 238.A N SER 234.A O no hydrogen 2.857 N/A ILE 239.A N ALA 235.A O no hydrogen 2.793 N/A GLN 240.A N ARG 236.A O no hydrogen 2.861 N/A SER 241.A N ASN 237.A O no hydrogen 2.905 N/A SER 241.A OG TYR 238.A O no hydrogen 2.809 N/A LEU 242.A N TYR 238.A O no hydrogen 3.044 N/A THR 243.A N GLN 240.A O no hydrogen 3.110 N/A THR 243.A OG1 THR 221.A OG1 no hydrogen 2.592 N/A THR 243.A OG1 GLN 240.A O no hydrogen 3.361 N/A PHE 248.A N PHE 244.A O no hydrogen 2.861 N/A ALA 251.A N PHE 248.A O no hydrogen 3.092 N/A ASN 252.A ND2 ASP 118.A OD2 no hydrogen 3.088 N/A LEU 254.A N ASN 252.A OD1 no hydrogen 2.827 N/A VAL 256.A N ASN 252.A O no hydrogen 3.076 N/A ASP 257.A N PRO 253.A O no hydrogen 2.965 N/A LEU 258.A N LEU 254.A O no hydrogen 3.069 N/A LEU 259.A N ALA 255.A O no hydrogen 2.894 N/A GLU 260.A N VAL 256.A O no hydrogen 2.969 N/A LYS 261.A N ASP 257.A O no hydrogen 3.188 N/A LYS 261.A N LEU 258.A O no hydrogen 2.973 N/A LYS 261.A NZ ASP 257.A OD2 no hydrogen 2.889 N/A MET 262.A N LEU 258.A O no hydrogen 3.058 N/A MET 262.A N LEU 259.A O no hydrogen 3.182 N/A LEU 263.A N LEU 259.A O no hydrogen 2.864 N/A SER 267.A OG ASN 181.A OD1 no hydrogen 2.760 N/A ASP 268.A N ASP 266.A OD1 no hydrogen 2.956 N/A LYS 269.A N ASP 266.A O no hydrogen 2.891 N/A LYS 269.A NZ GLU 225.A OE1 no hydrogen 2.942 N/A LYS 269.A NZ GLU 225.A OE2 no hydrogen 2.669 N/A ARG 270.A N SER 267.A O no hydrogen 3.488 N/A ARG 270.A NE VAL 264.A O no hydrogen 2.792 N/A ARG 270.A NH1 GLU 172.A OE1 no hydrogen 2.764 N/A ARG 270.A NH1 GLU 172.A OE2 no hydrogen 3.504 N/A ARG 270.A NH1 THR 183.A O no hydrogen 2.958 N/A ARG 270.A NH2 GLU 172.A OE1 no hydrogen 3.417 N/A ARG 270.A NH2 GLU 172.A OE2 no hydrogen 2.831 N/A ARG 270.A NH2 VAL 264.A O no hydrogen 3.375 N/A ARG 270.A NH2 LEU 265.A O no hydrogen 3.049 N/A ILE 271.A N LYS 261.A O no hydrogen 2.993 N/A THR 272.A N GLN 275.A OE1 no hydrogen 3.037 N/A GLN 275.A N THR 272.A OG1 no hydrogen 3.141 N/A ALA 276.A N THR 272.A O no hydrogen 2.897 N/A LEU 277.A N ALA 273.A O no hydrogen 2.986 N/A ALA 278.A N GLN 275.A O no hydrogen 3.112 N/A HIS 279.A N ALA 276.A O no hydrogen 3.065 N/A HIS 279.A NE2 ASP 257.A OD2 no hydrogen 2.771 N/A TYR 281.A N HIS 279.A ND1 no hydrogen 3.081 N/A TYR 281.A OH ASP 118.A OD1 no hydrogen 2.690 N/A PHE 282.A N HIS 279.A O no hydrogen 3.003 N/A ALA 283.A N ALA 280.A O no hydrogen 3.043 N/A TYR 285.A N PHE 282.A O no hydrogen 2.882 N/A HIS 286.A N PHE 282.A O no hydrogen 2.821 N/A ASP 287.A N GLU 291.A OE1 no hydrogen 3.139 N/A ASP 289.A N ASP 287.A OD1 no hydrogen 3.021 N/A ASP 290.A N ASP 287.A O no hydrogen 2.940 N/A ALA 294.A N SER 137.A OG no hydrogen 2.772 N/A GLN 299.A NE2 ASP 139.A O no hydrogen 3.183 N/A SER 300.A N ASP 298.A OD1 no hydrogen 2.860 N/A SER 300.A OG ASP 298.A OD1 no hydrogen 2.783 N/A GLU 302.A N GLN 299.A O no hydrogen 3.086 N/A SER 303.A N SER 300.A O no hydrogen 3.380 N/A SER 303.A OG SER 300.A O no hydrogen 3.075 N/A ARG 304.A N PHE 301.A O no hydrogen 3.009 N/A ARG 304.A NH1 SER 300.A O no hydrogen 3.390 N/A GLU 310.A N LEU 307.A O no hydrogen 2.946 N/A TRP 311.A N LEU 307.A O no hydrogen 3.095 N/A LYS 312.A N ILE 308.A O no hydrogen 2.940 N/A LYS 312.A NZ PHE 93.A O no hydrogen 2.639 N/A SER 313.A N ASP 309.A O no hydrogen 2.986 N/A LEU 314.A N GLU 310.A O no hydrogen 2.869 N/A THR 315.A N TRP 311.A O no hydrogen 3.016 N/A THR 315.A OG1 TRP 311.A O no hydrogen 2.792 N/A TYR 316.A N LYS 312.A O no hydrogen 2.926 N/A ASP 317.A N SER 313.A O no hydrogen 2.991 N/A GLU 318.A N LEU 314.A O no hydrogen 3.107 N/A VAL 319.A N THR 315.A O no hydrogen 2.917 N/A ILE 320.A N TYR 316.A O no hydrogen 3.033 N/A SER 321.A N ASP 317.A O no hydrogen 3.041 N/A SER 321.A OG ASP 317.A O no hydrogen 2.952 N/A SER 321.A OG GLU 318.A O no hydrogen 3.278 N/A PHE 322.A N VAL 319.A O no hydrogen 3.345 N/A