Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pml_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ASP 8.A OD2 no hydrogen 3.442 N/A ILE 9.A N SER 5.A O no hydrogen 3.000 N/A LEU 10.A N MET 6.A O no hydrogen 2.871 N/A SER 11.A N ASP 8.A O no hydrogen 2.954 N/A SER 11.A OG LYS 7.A O no hydrogen 3.300 N/A TYR 13.A N LEU 10.A O no hydrogen 2.622 N/A ILE 17.A N ILE 111.A O no hydrogen 2.656 N/A LEU 19.A N THR 113.A O no hydrogen 3.270 N/A ASN 20.A N ASN 31.A OD1 no hydrogen 2.891 N/A LYS 21.A NZ LYS 21.A O no hydrogen 3.373 N/A TYR 22.A N TYR 29.A O no hydrogen 3.342 N/A LYS 24.A N ASP 27.A O no hydrogen 3.311 N/A TYR 29.A N TYR 22.A O no hydrogen 2.870 N/A ILE 30.A N TYR 33.A O no hydrogen 2.700 N/A ASN 31.A N ASN 20.A O no hydrogen 2.916 N/A ASN 31.A ND2 TYR 18.A O.A no hydrogen 2.664 N/A ASN 31.A ND2 TYR 18.A O.B no hydrogen 2.743 N/A TYR 33.A N ILE 30.A O no hydrogen 2.834 N/A ARG 34.A N GLU 51.A O no hydrogen 2.810 N/A ILE 35.A N LYS 28.A O no hydrogen 2.851 N/A ILE 36.A N LEU 49.A O no hydrogen 2.746 N/A LEU 39.A N ILE 47.A O no hydrogen 2.956 N/A LYS 46.A N ASN 45.A OD1 no hydrogen 2.811 N/A ILE 47.A N ASN 40.A O no hydrogen 3.056 N/A ILE 48.A N LEU 59.A O no hydrogen 2.595 N/A LEU 49.A N ARG 37.A O no hydrogen 2.805 N/A CYS 50.A N TYR 57.A O no hydrogen 2.858 N/A GLU 51.A N ARG 34.A O no hydrogen 2.999 N/A LYS 52.A N LYS 55.A O no hydrogen 3.473 N/A LYS 55.A N LYS 52.A O no hydrogen 3.098 N/A TYR 57.A N CYS 50.A O no hydrogen 3.028 N/A ALA 58.A N TYR 122.A O no hydrogen 3.014 N/A LEU 59.A N ILE 48.A O no hydrogen 2.770 N/A LYS 60.A N ILE 120.A O no hydrogen 3.001 N/A LYS 60.A NZ TYR 62.A OH no hydrogen 3.020 N/A LYS 61.A N LYS 46.A O no hydrogen 2.864 N/A LYS 61.A NZ GLU 63.A OE1 no hydrogen 3.302 N/A TYR 62.A N VAL 118.A O no hydrogen 2.889 N/A TYR 62.A OH GLU 93.A OE2 no hydrogen 2.707 N/A LYS 64.A N ASP 116.A O no hydrogen 2.899 N/A LYS 64.A NZ GLU 68.A OE1 no hydrogen 3.494 N/A SER 65.A N ASP 116.A OD1 no hydrogen 3.252 N/A SER 65.A OG ASP 116.A OD1 no hydrogen 3.482 N/A LEU 66.A N GLU 63.A O no hydrogen 3.069 N/A LEU 67.A N GLU 63.A O no hydrogen 3.011 N/A GLU 68.A N LYS 64.A O no hydrogen 2.846 N/A LYS 69.A NZ SER 65.A O no hydrogen 2.908 N/A ARG 71.A NE GLU 68.A O no hydrogen 3.605 N/A ASP 72.A N LYS 84.A O no hydrogen 2.863 N/A SER 76.A OG LYS 75.A O no hydrogen 2.696 N/A LYS 80.A NZ LYS 80.A O no hydrogen 2.865 N/A SER 82.A OG SER 76.A O no hydrogen 3.406 N/A SER 82.A OG ILE 81.A O no hydrogen 2.817 N/A SER 85.A N ASP 88.A OD2 no hydrogen 3.016 N/A SER 85.A OG LEU 67.A O no hydrogen 2.947 N/A LYS 86.A N LYS 70.A O no hydrogen 3.146 N/A TYR 87.A N SER 85.A OG no hydrogen 2.927 N/A ASP 89.A N SER 85.A O no hydrogen 3.328 N/A PHE 90.A N LYS 86.A O no hydrogen 3.259 N/A LYS 91.A N TYR 87.A O no hydrogen 3.042 N/A LYS 91.A NZ GLY 4.A O no hydrogen 2.817 N/A ASN 92.A N ASP 88.A O no hydrogen 3.442 N/A GLU 93.A N ASP 89.A O no hydrogen 3.128 N/A LEU 94.A N PHE 90.A O no hydrogen 2.624 N/A GLN 95.A N LYS 91.A O no hydrogen 3.069 N/A ILE 96.A N ASN 92.A O no hydrogen 3.392 N/A ILE 97.A N GLU 93.A O no hydrogen 2.881 N/A THR 98.A N LEU 94.A O no hydrogen 3.053 N/A ASP 99.A N ILE 96.A O no hydrogen 2.648 N/A ILE 100.A N ILE 96.A O no hydrogen 3.054 N/A LYS 101.A N TYR 166.A OH no hydrogen 2.771 N/A LYS 101.A NZ THR 98.A O no hydrogen 3.419 N/A TYR 104.A N ASN 102.A OD1 no hydrogen 2.966 N/A CYS 105.A N ASN 102.A O no hydrogen 3.103 N/A CYS 105.A SG ASN 102.A OD1 no hydrogen 3.539 N/A LEU 106.A N LEU 193.A O no hydrogen 2.808 N/A THR 107.A OG1 CYS 108.A O no hydrogen 3.450 N/A CYS 108.A SG TYR 13.A OH no hydrogen 3.187 N/A GLU 109.A N ILE 121.A O no hydrogen 2.786 N/A ILE 111.A N ASN 15.A O no hydrogen 3.109 N/A ILE 112.A N TYR 119.A O no hydrogen 2.814 N/A THR 113.A N ILE 17.A O no hydrogen 2.976 N/A THR 113.A OG1 GLU 117.A O no hydrogen 2.648 N/A TYR 115.A N THR 113.A OG1 no hydrogen 2.783 N/A ASP 116.A N ASN 114.A OD1 no hydrogen 3.037 N/A VAL 118.A N TYR 62.A O no hydrogen 2.992 N/A TYR 119.A N ILE 112.A O no hydrogen 2.735 N/A TYR 119.A OH GLU 117.A OE1 no hydrogen 3.077 N/A ILE 120.A N LYS 60.A O no hydrogen 3.058 N/A ILE 121.A N GLY 110.A O no hydrogen 2.968 N/A TYR 122.A N ALA 58.A O no hydrogen 3.200 N/A TYR 124.A N PHE 56.A O no hydrogen 3.119 N/A ASN 127.A N MET 185.A O no hydrogen 3.030 N/A ASN 127.A ND2 ASP 186.A O no hydrogen 3.420 N/A ASN 127.A ND2 SER 330.A O no hydrogen 2.822 N/A ASP 128.A N MET 125.A O no hydrogen 2.770 N/A SER 129.A OG LEU 131.A O no hydrogen 2.584 N/A ILE 130.A N ILE 183.A O no hydrogen 3.015 N/A LYS 132.A N PHE 138.A O no hydrogen 2.809 N/A LYS 132.A NZ ASN 127.A O no hydrogen 3.133 N/A LYS 132.A NZ SER 129.A O no hydrogen 2.781 N/A ASP 134.A N TYR 136.A O no hydrogen 3.303 N/A TYR 136.A N ASP 134.A OD2 no hydrogen 3.404 N/A TYR 136.A OH LYS 142.A O no hydrogen 3.258 N/A PHE 137.A N ASN 248.A O no hydrogen 3.298 N/A PHE 138.A N LYS 132.A O no hydrogen 2.887 N/A LYS 142.A NZ ASP 134.A OD1 no hydrogen 2.801 N/A ASN 143.A ND2 ASP 141.A OD2 no hydrogen 2.734 N/A CYS 146.A SG PHE 147.A O no hydrogen 3.873 N/A VAL 152.A N PRO 149.A O no hydrogen 3.107 N/A ILE 153.A N PRO 149.A O no hydrogen 2.995 N/A LYS 154.A N ILE 150.A O no hydrogen 2.759 N/A LYS 154.A NZ TRP 317.A O no hydrogen 3.075 N/A LYS 154.A NZ ASP 320.A OD1 no hydrogen 3.423 N/A LYS 154.A NZ ASP 320.A OD2 no hydrogen 2.731 N/A CYS 155.A N GLN 151.A O no hydrogen 3.424 N/A CYS 155.A SG GLN 151.A O no hydrogen 3.401 N/A CYS 155.A SG ASN 322.A O no hydrogen 3.359 N/A ILE 156.A N VAL 152.A O no hydrogen 3.075 N/A ILE 157.A N ILE 153.A O no hydrogen 2.984 N/A LYS 158.A N LYS 154.A O no hydrogen 3.009 N/A SER 159.A N CYS 155.A O no hydrogen 2.879 N/A SER 159.A OG VAL 191.A O no hydrogen 3.352 N/A VAL 160.A N ILE 156.A O no hydrogen 2.850 N/A LEU 161.A N ILE 157.A O no hydrogen 2.811 N/A ASN 162.A N LYS 158.A O no hydrogen 3.056 N/A SER 163.A N SER 159.A O no hydrogen 3.251 N/A SER 163.A OG VAL 160.A O no hydrogen 2.552 N/A PHE 164.A N VAL 160.A O no hydrogen 2.867 N/A SER 165.A N LEU 161.A O no hydrogen 3.043 N/A SER 165.A OG LEU 161.A O no hydrogen 3.453 N/A TYR 166.A N ASN 162.A O no hydrogen 3.362 N/A ILE 167.A N SER 163.A O no hydrogen 3.064 N/A HIS 168.A N PHE 164.A O no hydrogen 2.757 N/A HIS 168.A ND1 ILE 173.A O no hydrogen 3.214 N/A ASN 169.A N SER 165.A O no hydrogen 3.065 N/A GLU 170.A N TYR 166.A O no hydrogen 2.994 N/A LYS 171.A N TYR 166.A O no hydrogen 2.886 N/A LYS 171.A NZ TYR 166.A OH no hydrogen 2.608 N/A ASN 172.A ND2 MET 202.A O no hydrogen 2.981 N/A ILE 173.A N ILE 167.A O no hydrogen 2.699 N/A CYS 174.A N GLU 200.A O no hydrogen 2.942 N/A CYS 174.A SG GLY 230.A O no hydrogen 3.180 N/A CYS 174.A SG ASP 234.A OD1 no hydrogen 3.881 N/A CYS 174.A SG ASP 234.A OD2 no hydrogen 3.365 N/A HIS 175.A N ASP 234.A OD2 no hydrogen 2.862 N/A ARG 176.A N ASP 234.A OD1 no hydrogen 2.867 N/A ARG 176.A NE GLU 200.A OE2 no hydrogen 2.439 N/A ARG 176.A NH2 GLU 200.A OE2 no hydrogen 2.818 N/A LYS 179.A NZ ASP 177.A OD1 no hydrogen 3.530 N/A LYS 179.A NZ ASP 177.A OD2 no hydrogen 3.407 N/A ASN 182.A N LYS 179.A O no hydrogen 2.785 N/A ASN 182.A ND2 ASP 177.A O no hydrogen 2.711 N/A ILE 183.A N PRO 180.A O no hydrogen 3.063 N/A LEU 184.A N LYS 192.A O no hydrogen 2.824 N/A MET 185.A N ASP 128.A O no hydrogen 2.870 N/A ASP 186.A N ARG 190.A O no hydrogen 2.947 N/A LYS 187.A N GLU 126.A OE1 no hydrogen 2.914 N/A ASN 188.A N ASP 186.A OD1 no hydrogen 3.021 N/A ARG 190.A N ASP 186.A OD1 no hydrogen 2.711 N/A LYS 192.A N LEU 184.A O no hydrogen 2.660 N/A LYS 192.A NZ GLU 123.A OE1 no hydrogen 2.467 N/A LYS 192.A NZ GLU 123.A OE2 no hydrogen 3.515 N/A LEU 193.A N TYR 104.A O no hydrogen 3.076 N/A SER 194.A N ASN 182.A O no hydrogen 2.971 N/A SER 194.A OG ASN 182.A O no hydrogen 2.920 N/A GLY 197.A N ASP 195.A OD1 no hydrogen 2.997 N/A SER 199.A N PHE 196.A O no hydrogen 3.209 N/A SER 199.A OG HIS 175.A O no hydrogen 2.790 N/A GLU 200.A N CYS 174.A O no hydrogen 3.225 N/A TYR 201.A OH ASP 99.A OD1 no hydrogen 2.722 N/A MET 202.A N ASN 172.A O no hydrogen 3.141 N/A VAL 203.A N LYS 206.A O no hydrogen 2.909 N/A LYS 206.A N VAL 203.A O no hydrogen 3.066 N/A LYS 206.A NZ VAL 203.A O no hydrogen 3.153 N/A ILE 207.A N TYR 228.A O no hydrogen 2.928 N/A ARG 211.A NE GLU 198.A OE1 no hydrogen 2.517 N/A ARG 211.A NH1 GLU 200.A OE1 no hydrogen 2.802 N/A ARG 211.A NH2 GLU 198.A OE1 no hydrogen 3.074 N/A THR 213.A OG1 ASP 177.A OD1 no hydrogen 2.685 N/A THR 213.A OG1 ASP 177.A OD2 no hydrogen 3.534 N/A PHE 216.A N THR 213.A O no hydrogen 2.912 N/A MET 217.A N TYR 214.A O no hydrogen 3.124 N/A GLU 220.A N GLU 220.A OE1 no hydrogen 2.610 N/A PHE 221.A N PRO 218.A O no hydrogen 3.121 N/A PHE 222.A N PRO 219.A O no hydrogen 2.778 N/A SER 223.A N GLU 220.A O no hydrogen 3.009 N/A SER 223.A OG GLU 220.A O no hydrogen 3.274 N/A GLY 230.A N LYS 205.A O no hydrogen 2.748 N/A LYS 232.A NZ ARG 306.A O no hydrogen 2.595 N/A VAL 233.A N ASN 229.A O no hydrogen 3.252 N/A ASP 234.A N GLY 230.A O no hydrogen 3.231 N/A ILE 235.A N ALA 231.A O no hydrogen 2.802 N/A TRP 236.A N LYS 232.A O no hydrogen 2.941 N/A SER 237.A N VAL 233.A O no hydrogen 3.233 N/A SER 237.A OG PHE 216.A O no hydrogen 2.817 N/A LEU 238.A N ASP 234.A O no hydrogen 3.088 N/A GLY 239.A N ILE 235.A O no hydrogen 2.967 N/A ILE 240.A N TRP 236.A O no hydrogen 3.052 N/A CYS 241.A N SER 237.A O no hydrogen 3.030 N/A CYS 241.A SG VAL 178.A O no hydrogen 3.747 N/A CYS 241.A SG SER 237.A O no hydrogen 3.281 N/A LEU 242.A N LEU 238.A O no hydrogen 2.775 N/A TYR 243.A N GLY 239.A O no hydrogen 2.773 N/A TYR 243.A OH GLU 271.A O no hydrogen 3.133 N/A TYR 243.A OH HIS 278.A NE2 no hydrogen 3.371 N/A VAL 244.A N ILE 240.A O no hydrogen 2.642 N/A MET 245.A N CYS 241.A O no hydrogen 2.664 N/A PHE 246.A N LEU 242.A O no hydrogen 2.918 N/A TYR 247.A N TYR 243.A O no hydrogen 2.971 N/A TYR 247.A OH PRO 273.A O no hydrogen 2.746 N/A ASN 248.A N VAL 244.A O no hydrogen 2.625 N/A ASN 248.A ND2 CYS 146.A O no hydrogen 3.555 N/A SER 253.A OG GLU 215.A O no hydrogen 3.263 N/A LEU 261.A N SER 257.A O no hydrogen 3.125 N/A PHE 262.A N LEU 258.A O no hydrogen 2.775 N/A ASN 263.A N VAL 259.A O no hydrogen 2.662 N/A ILE 265.A N LEU 261.A O no hydrogen 3.097 N/A THR 284.A N TYR 281.A O no hydrogen 2.952 N/A SER 288.A OG ASP 291.A OD2 no hydrogen 2.972 N/A ASP 291.A N SER 288.A O no hydrogen 2.639 N/A ASP 293.A N ASN 289.A O no hydrogen 3.042 N/A PHE 294.A N GLU 290.A O no hydrogen 3.028 N/A LEU 295.A N ASP 291.A O no hydrogen 3.274 N/A LYS 296.A N ILE 292.A O no hydrogen 2.922 N/A LYS 296.A N ASP 293.A O no hydrogen 2.996 N/A LEU 297.A N PHE 294.A O no hydrogen 3.008 N/A PHE 298.A N LEU 295.A O no hydrogen 3.230 N/A ARG 300.A NH1 GLU 305.A O no hydrogen 3.341 N/A GLU 305.A N ASN 302.A O no hydrogen 3.141 N/A ARG 306.A N PRO 303.A O no hydrogen 3.251 N/A ARG 306.A NE ARG 300.A O no hydrogen 3.050 N/A ARG 306.A NH1 GLU 220.A OE2 no hydrogen 2.767 N/A ARG 306.A NH1 LYS 232.A O no hydrogen 2.629 N/A ARG 306.A NH2 GLU 220.A OE1 no hydrogen 2.609 N/A ARG 306.A NH2 GLU 220.A OE2 no hydrogen 3.263 N/A ARG 306.A NH2 ARG 300.A O no hydrogen 3.179 N/A ILE 307.A N LEU 297.A O no hydrogen 2.835 N/A THR 308.A OG1 ASP 311.A OD1 no hydrogen 3.551 N/A ALA 312.A N THR 308.A O no hydrogen 3.344 N/A LEU 313.A N SER 309.A O no hydrogen 3.078 N/A LYS 314.A N GLU 310.A O no hydrogen 3.320 N/A LYS 314.A N ASP 311.A O no hydrogen 3.195 N/A HIS 315.A N ALA 312.A O no hydrogen 2.945 N/A TRP 317.A N HIS 315.A ND1 no hydrogen 2.992 N/A TRP 317.A NE1 ASP 291.A OD1 no hydrogen 2.723 N/A LEU 318.A N HIS 315.A O no hydrogen 3.280 N/A ALA 319.A N GLU 316.A O no hydrogen 2.813 N/A THR 321.A N LEU 318.A O no hydrogen 3.010 N/A THR 321.A OG1 LEU 318.A O no hydrogen 2.772 N/A GLU 324.A N ASN 322.A OD1 no hydrogen 3.070 N/A ASP 325.A N ASN 322.A O no hydrogen 2.883 N/A ARG 327.A N ILE 323.A O no hydrogen 3.089 N/A GLU 328.A N GLU 324.A O no hydrogen 2.965 N/A PHE 329.A N ASP 325.A O no hydrogen 3.007 N/A SER 330.A N LEU 326.A O no hydrogen 2.719 N/A SER 330.A OG ASP 186.A O no hydrogen 2.604 N/A SER 330.A OG LYS 187.A O no hydrogen 2.662 N/A LYS 331.A N ARG 327.A O no hydrogen 3.113 N/A GLU 332.A N GLU 328.A O no hydrogen 3.156 N/A LEU 333.A N PHE 329.A O no hydrogen 2.966 N/A TYR 334.A N SER 330.A O no hydrogen 3.102 N/A LYS 335.A N LYS 331.A O no hydrogen 3.240 N/A LYS 336.A N GLU 332.A O no hydrogen 3.030 N/A LYS 336.A N LEU 333.A O no hydrogen 2.935 N/A ARG 337.A N LEU 333.A O no hydrogen 2.948 N/A