Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4irr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A ND1 GLU 252.A OE2 no hydrogen 2.700 N/A ASN 6.A ND2 TYR 254.A O no hydrogen 3.030 N/A GLN 7.A NE2.B HIS 4.A O no hydrogen 3.607 N/A GLU 9.A N ASN 6.A OD1 no hydrogen 2.764 N/A TYR 10.A N ASN 6.A O no hydrogen 3.123 N/A LYS 11.A N GLN 7.A O no hydrogen 2.924 N/A LYS 11.A NZ ASP 8.A OD1 no hydrogen 3.272 N/A LYS 11.A NZ LYS 43.A O no hydrogen 3.498 N/A TYR 12.A N ASP 8.A O no hydrogen 3.186 N/A TYR 12.A OH MET 199.A O no hydrogen 2.327 N/A LEU 13.A N GLU 9.A O no hydrogen 3.097 N/A LYS 14.A N TYR 10.A O no hydrogen 3.043 N/A LYS 14.A NZ TYR 10.A OH no hydrogen 3.364 N/A LYS 14.A NZ GLU 17.A OE1 no hydrogen 3.544 N/A LYS 14.A NZ GLU 17.A OE2 no hydrogen 2.710 N/A GLN 15.A N LYS 11.A O no hydrogen 2.889 N/A VAL 16.A N TYR 12.A O no hydrogen 2.980 N/A GLU 17.A N LEU 13.A O no hydrogen 2.909 N/A GLN 18.A N LYS 14.A O no hydrogen 2.915 N/A GLN 18.A NE2 GLU 22.A OE2 no hydrogen 3.283 N/A ILE 19.A N GLN 15.A O no hydrogen 3.122 N/A LEU 20.A N VAL 16.A O no hydrogen 3.115 N/A ARG 21.A N GLU 17.A O no hydrogen 3.016 N/A ARG 21.A NH1 GLU 22.A OE1 no hydrogen 2.976 N/A GLU 22.A N GLN 18.A O no hydrogen 2.744 N/A GLY 23.A N ILE 19.A O no hydrogen 2.653 N/A THR 24.A N SER 36.A O no hydrogen 2.766 N/A THR 24.A OG1 ARG 25.A O no hydrogen 3.533 N/A ARG 26.A N THR 34.A O no hydrogen 2.909 N/A THR 30.A OG1 ASP 28.A OD1 no hydrogen 2.686 N/A THR 30.A OG1 ASP 28.A OD2 no hydrogen 3.122 N/A THR 30.A OG1 THR 32.A OG1 no hydrogen 3.345 N/A GLY 31.A N ASP 28.A OD1 no hydrogen 3.273 N/A THR 32.A N THR 30.A OG1 no hydrogen 3.326 N/A THR 32.A OG1 THR 30.A OG1 no hydrogen 3.345 N/A THR 34.A N ARG 26.A O no hydrogen 2.756 N/A THR 34.A OG1 ARG 26.A O no hydrogen 3.562 N/A ILE 35.A N VAL 237.A O no hydrogen 2.848 N/A SER 36.A N THR 24.A O no hydrogen 2.796 N/A SER 36.A OG ASP 234.A OD1 no hydrogen 2.729 N/A ILE 37.A N ALA 235.A O no hydrogen 2.826 N/A GLY 39.A N GLY 233.A O no hydrogen 2.680 N/A MET 40.A N LEU 232.A O no hydrogen 3.251 N/A GLN 41.A NE2 THR 231.A OG1 no hydrogen 3.077 N/A SER 42.A N HIS 230.A O no hydrogen 3.035 N/A SER 42.A OG.A TYR 44.A OH no hydrogen 3.268 N/A TYR 44.A N LEU 228.A O no hydrogen 2.855 N/A TYR 44.A OH SER 42.A OG.A no hydrogen 3.268 N/A CYS 45.A N ASP 8.A OD2 no hydrogen 2.906 N/A LEU 46.A N GLY 226.A O no hydrogen 2.696 N/A ARG 47.A NE GLU 187.A OE2 no hydrogen 2.864 N/A ARG 47.A NH2 GLU 187.A OE2 no hydrogen 3.206 N/A THR 50.A OG1 ARG 47.A O no hydrogen 3.541 N/A ILE 51.A N PRO 257.A O no hydrogen 3.129 N/A LEU 53.A N ILE 51.A O no hydrogen 2.773 N/A THR 55.A N GLU 9.A OE1 no hydrogen 2.745 N/A THR 55.A N GLU 9.A OE2 no hydrogen 3.000 N/A THR 55.A OG1 GLU 9.A OE1 no hydrogen 2.624 N/A THR 55.A OG1 TYR 254.A O no hydrogen 3.507 N/A THR 56.A N GLU 9.A OE2 no hydrogen 2.776 N/A THR 56.A OG1 GLU 9.A OE2 no hydrogen 2.711 N/A LYS 57.A NZ GLY 200.A O no hydrogen 3.297 N/A VAL 59.A N TYR 281.A OH no hydrogen 3.025 N/A LYS 62.A NZ LYS 84.A O no hydrogen 2.629 N/A VAL 64.A N TYR 60.A O no hydrogen 3.115 N/A LEU 65.A N TRP 61.A O no hydrogen 2.957 N/A GLU 66.A N LYS 62.A O no hydrogen 2.982 N/A GLU 67.A N GLY 63.A O no hydrogen 2.922 N/A LEU 68.A N VAL 64.A O no hydrogen 3.078 N/A LEU 69.A N LEU 65.A O no hydrogen 3.135 N/A TRP 70.A N GLU 66.A O no hydrogen 2.991 N/A TRP 70.A NE1 ASP 77.A O no hydrogen 3.090 N/A PHE 71.A N GLU 67.A O no hydrogen 2.690 N/A ILE 72.A N LEU 68.A O no hydrogen 2.814 N/A SER 73.A N LEU 69.A O no hydrogen 2.920 N/A SER 73.A OG TRP 70.A O no hydrogen 2.648 N/A GLY 74.A N PHE 71.A O no hydrogen 2.986 N/A SER 75.A N SER 73.A OG no hydrogen 3.362 N/A THR 76.A OG1 TYR 126.A OH no hydrogen 2.843 N/A ASP 77.A N SER 75.A OG no hydrogen 3.222 N/A GLY 78.A N GLY 109.A O no hydrogen 2.736 N/A LYS 79.A N ASP 77.A OD1 no hydrogen 2.949 N/A LYS 79.A NZ.A ASP 77.A OD1 no hydrogen 3.083 N/A LYS 79.A NZ.A GLU 107.A OE1 no hydrogen 2.638 N/A LYS 79.A NZ.A GLU 108.A O no hydrogen 2.704 N/A LEU 80.A N ASP 77.A O no hydrogen 3.140 N/A MET 82.A N GLY 78.A O no hydrogen 3.117 N/A GLU 83.A N LYS 79.A O no hydrogen 2.828 N/A LYS 84.A N LEU 81.A O no hydrogen 2.964 N/A ASN 85.A N MET 82.A O no hydrogen 2.985 N/A VAL 86.A N LEU 81.A O no hydrogen 3.102 N/A TRP 89.A NE1 GLU 67.A OE2 no hydrogen 2.822 N/A GLU 90.A N LYS 87.A O no hydrogen 3.199 N/A ASN 92.A N TRP 89.A O no hydrogen 2.975 N/A GLY 93.A N GLU 90.A O no hydrogen 3.129 N/A ARG 95.A N GLU 108.A OE2 no hydrogen 3.223 N/A ARG 95.A NE ASP 99.A OD1 no hydrogen 3.323 N/A ARG 95.A NE ASP 99.A OD2 no hydrogen 2.974 N/A ARG 95.A NH1 ASP 99.A OD2 no hydrogen 3.034 N/A ARG 95.A NH1 ARG 106.A O no hydrogen 2.864 N/A ARG 95.A NH2 ARG 106.A O no hydrogen 2.874 N/A PHE 97.A N ASP 94.A OD2 no hydrogen 3.075 N/A LEU 98.A N ASP 94.A O no hydrogen 2.907 N/A ASP 99.A N ARG 95.A O no hydrogen 2.849 N/A ASN 100.A N ALA 96.A O no hydrogen 2.998 N/A LEU 101.A N LEU 98.A O no hydrogen 3.042 N/A GLY 102.A N ASP 99.A O no hydrogen 2.949 N/A PHE 103.A N LEU 98.A O no hydrogen 3.056 N/A ARG 106.A N PHE 103.A O no hydrogen 3.056 N/A ARG 106.A NE ASP 110.A O no hydrogen 3.206 N/A ARG 106.A NH1 GLN 169.A O no hydrogen 3.172 N/A ARG 106.A NH2 ASP 110.A O no hydrogen 2.999 N/A ARG 106.A NH2 GLN 169.A O no hydrogen 3.117 N/A GLY 109.A N GLY 93.A O no hydrogen 2.656 N/A ASP 110.A N GLU 107.A O no hydrogen 3.252 N/A LEU 111.A N THR 76.A O no hydrogen 3.131 N/A GLY 112.A N ASP 110.A OD2 no hydrogen 3.321 N/A VAL 114.A N GLY 112.A O no hydrogen 2.780 N/A GLN 118.A N VAL 114.A O no hydrogen 3.252 N/A GLN 118.A NE2 PRO 113.A O no hydrogen 2.926 N/A GLN 118.A NE2 ASP 166.A OD2 no hydrogen 2.936 N/A TRP 119.A N TYR 115.A O no hydrogen 2.788 N/A ARG 120.A N GLY 116.A O no hydrogen 3.232 N/A ARG 120.A NE ASP 139.A OD1 no hydrogen 2.787 N/A ARG 120.A NH1 ILE 72.A O no hydrogen 2.645 N/A ARG 120.A NH1 ASP 269.A OD1 no hydrogen 2.760 N/A ARG 120.A NH2 ASP 139.A OD1 no hydrogen 3.532 N/A ARG 120.A NH2 ASP 139.A OD2 no hydrogen 3.029 N/A ARG 120.A NH2 ASP 269.A OD2 no hydrogen 3.274 N/A HIS 121.A N PHE 117.A O no hydrogen 2.812 N/A HIS 121.A ND1 GLN 136.A O no hydrogen 2.870 N/A PHE 122.A N VAL 138.A O no hydrogen 3.104 N/A ALA 124.A N HIS 121.A O no hydrogen 3.062 N/A TYR 126.A OH THR 76.A OG1 no hydrogen 2.843 N/A TYR 126.A OH ASP 110.A OD2 no hydrogen 2.631 N/A VAL 127.A N TYR 133.A OH no hydrogen 2.833 N/A ASP 128.A N THR 131.A OG1 no hydrogen 3.257 N/A CYS 129.A N ASP 110.A OD1 no hydrogen 3.347 N/A CYS 129.A SG GLU 107.A OE1 no hydrogen 3.891 N/A HIS 130.A N ASP 128.A OD1 no hydrogen 2.809 N/A HIS 130.A NE2 GLU 107.A OE1 no hydrogen 2.531 N/A THR 131.A OG1 ASP 128.A O no hydrogen 3.455 N/A THR 131.A OG1 ASP 128.A OD1 no hydrogen 2.734 N/A TYR 133.A OH ASP 128.A O no hydrogen 2.784 N/A SER 134.A N ASP 132.A OD1 no hydrogen 3.105 N/A SER 134.A OG ASP 132.A OD1 no hydrogen 2.742 N/A GLN 136.A N TYR 133.A O no hydrogen 2.903 N/A VAL 138.A N PHE 122.A O no hydrogen 2.781 N/A GLN 140.A NE2 GLN 118.A O no hydrogen 2.830 N/A GLN 140.A NE2 SER 160.A O no hydrogen 2.759 N/A LEU 141.A N TRP 119.A O no hydrogen 3.245 N/A ALA 142.A N ASP 139.A OD1 no hydrogen 3.077 N/A GLU 143.A N ASP 139.A O no hydrogen 3.117 N/A VAL 144.A N GLN 140.A O no hydrogen 2.857 N/A ILE 145.A N LEU 141.A O no hydrogen 3.079 N/A ARG 146.A N ALA 142.A O no hydrogen 2.947 N/A ARG 146.A NE GLU 143.A OE1 no hydrogen 2.754 N/A ARG 146.A NH1 GLU 143.A OE1 no hydrogen 3.478 N/A ARG 146.A NH1 GLU 143.A OE2 no hydrogen 2.950 N/A ARG 146.A NH2 GLU 150.A OE1 no hydrogen 2.964 N/A GLN 147.A N GLU 143.A O no hydrogen 2.779 N/A GLN 147.A NE2 ARG 156.A O no hydrogen 3.419 N/A ILE 148.A N VAL 144.A O no hydrogen 2.910 N/A LYS 149.A N ILE 145.A O no hydrogen 3.144 N/A GLU 150.A N ARG 146.A O no hydrogen 2.903 N/A GLN 151.A N GLN 147.A O no hydrogen 2.812 N/A SER 154.A N GLN 151.A O no hydrogen 2.960 N/A ARG 156.A N SER 154.A OG no hydrogen 3.004 N/A MET 159.A N CYS 179.A O no hydrogen 2.962 N/A SER 160.A N GLN 140.A OE1 no hydrogen 2.901 N/A SER 160.A OG THR 177.A O no hydrogen 3.296 N/A ALA 161.A N THR 177.A O no hydrogen 2.757 N/A TRP 162.A N SER 160.A OG no hydrogen 3.113 N/A ASN 163.A ND2 GLN 118.A OE1 no hydrogen 2.797 N/A SER 165.A N ASN 163.A OD1 no hydrogen 3.179 N/A ASP 166.A N ASN 163.A O no hydrogen 2.890 N/A GLN 169.A N ASP 166.A O no hydrogen 3.084 N/A MET 170.A N LEU 167.A O no hydrogen 3.117 N/A VAL 171.A N LEU 111.A O no hydrogen 2.972 N/A CYS 175.A N TYR 115.A OH no hydrogen 2.560 N/A CYS 175.A SG SER 196.A O no hydrogen 2.978 N/A HIS 176.A ND1 TYR 210.A OH no hydrogen 2.604 N/A THR 177.A N TYR 193.A O no hydrogen 3.099 N/A THR 177.A OG1 TYR 193.A O no hydrogen 3.483 N/A CYS 179.A N MET 159.A O no hydrogen 2.850 N/A CYS 179.A SG MET 159.A O no hydrogen 3.970 N/A GLN 180.A N GLN 191.A O no hydrogen 2.872 N/A PHE 181.A N ILE 157.A O no hydrogen 2.857 N/A TYR 182.A N SER 189.A O no hydrogen 2.879 N/A ASP 184.A N GLU 187.A O no hydrogen 3.010 N/A GLU 187.A N ASP 184.A O no hydrogen 2.742 N/A LEU 188.A N LYS 224.A O no hydrogen 2.705 N/A SER 189.A N TYR 182.A O no hydrogen 2.754 N/A CYS 190.A N THR 227.A O no hydrogen 3.032 N/A GLN 191.A N GLN 180.A O no hydrogen 2.699 N/A LEU 192.A N VAL 229.A O no hydrogen 2.808 N/A TYR 193.A N MET 178.A O no hydrogen 2.805 N/A GLN 194.A N THR 231.A O no hydrogen 2.792 N/A GLN 194.A NE2 SER 196.A O no hydrogen 2.867 N/A GLN 194.A NE2 ASN 206.A OD1 no hydrogen 3.020 N/A ARG 195.A N CYS 175.A O no hydrogen 3.207 N/A ARG 195.A NE PRO 174.A O no hydrogen 2.739 N/A ARG 195.A NH2 PRO 173.A O no hydrogen 3.564 N/A GLY 197.A N ASP 234.A O no hydrogen 2.968 N/A MET 199.A N HIS 236.A O no hydrogen 2.931 N/A GLY 200.A N ASP 198.A OD1 no hydrogen 2.998 N/A VAL 203.A N ASP 198.A O no hydrogen 2.800 N/A PHE 205.A N GLY 202.A O no hydrogen 2.930 N/A ASN 206.A N GLY 202.A O no hydrogen 3.014 N/A LEU 207.A N VAL 203.A O no hydrogen 2.809 N/A ALA 208.A N PRO 204.A O no hydrogen 3.188 N/A SER 209.A N PHE 205.A O no hydrogen 2.990 N/A TYR 210.A N ASN 206.A O no hydrogen 3.104 N/A TYR 210.A OH HIS 176.A ND1 no hydrogen 2.604 N/A GLY 211.A N LEU 207.A O no hydrogen 2.952 N/A LEU 212.A N ALA 208.A O no hydrogen 2.899 N/A LEU 213.A N SER 209.A O no hydrogen 2.983 N/A THR 214.A N TYR 210.A O no hydrogen 2.937 N/A THR 214.A OG1 TYR 210.A O no hydrogen 2.759 N/A HIS 215.A N GLY 211.A O no hydrogen 3.034 N/A HIS 215.A NE2 THR 50.A O no hydrogen 2.594 N/A MET 216.A N LEU 212.A O no hydrogen 2.906 N/A ILE 217.A N LEU 213.A O no hydrogen 2.974 N/A ALA 218.A N THR 214.A O no hydrogen 2.975 N/A LYS 219.A N HIS 215.A O no hydrogen 3.150 N/A VAL 220.A N MET 216.A O no hydrogen 2.982 N/A CYS 221.A N ILE 217.A O no hydrogen 2.771 N/A CYS 221.A SG ILE 145.A O no hydrogen 4.034 N/A CYS 221.A SG ILE 217.A O no hydrogen 3.313 N/A GLY 222.A N LYS 219.A O no hydrogen 3.263 N/A LEU 223.A N ALA 218.A O no hydrogen 2.778 N/A LYS 224.A N GLY 186.A O no hydrogen 2.914 N/A GLY 226.A N LEU 188.A O no hydrogen 2.758 N/A THR 227.A N SER 189.A OG no hydrogen 2.981 N/A LEU 228.A N TYR 44.A O no hydrogen 2.756 N/A VAL 229.A N CYS 190.A O no hydrogen 2.761 N/A HIS 230.A N SER 42.A O no hydrogen 2.833 N/A HIS 230.A NE2 GLN 194.A OE1 no hydrogen 2.882 N/A THR 231.A N LEU 192.A O no hydrogen 2.942 N/A THR 231.A OG1 GLN 191.A OE1 no hydrogen 2.665 N/A LEU 232.A N MET 40.A O no hydrogen 2.883 N/A GLY 233.A N GLN 194.A O no hydrogen 2.661 N/A ASP 234.A N ARG 195.A O no hydrogen 2.974 N/A ALA 235.A N ILE 37.A O no hydrogen 2.775 N/A HIS 236.A N GLY 197.A O no hydrogen 2.887 N/A HIS 236.A ND1 ASP 234.A O no hydrogen 3.135 N/A HIS 236.A ND1 ASP 234.A OD1 no hydrogen 3.022 N/A VAL 237.A N ILE 35.A O no hydrogen 2.966 N/A TYR 238.A OH ASP 28.A OD2 no hydrogen 3.397 N/A SER 239.A N GLY 33.A O no hydrogen 2.809 N/A SER 239.A OG GLY 33.A O no hydrogen 2.925 N/A HIS 241.A N TYR 238.A O no hydrogen 2.776 N/A LEU 245.A N HIS 241.A O no hydrogen 3.069 N/A LYS 246.A N VAL 242.A O no hydrogen 2.968 N/A ILE 247.A N ASP 243.A O no hydrogen 3.270 N/A GLN 248.A N ALA 244.A O no hydrogen 3.080 N/A GLN 248.A NE2 THR 56.A OG1 no hydrogen 2.970 N/A LEU 249.A N LEU 245.A O no hydrogen 2.771 N/A ASP 250.A N ILE 247.A O no hydrogen 3.231 N/A ARG 251.A N GLN 248.A O no hydrogen 3.061 N/A ARG 251.A NH1 THR 56.A O no hydrogen 2.711 N/A ARG 251.A NH1 PRO 285.A O no hydrogen 2.816 N/A ARG 251.A NH2 PRO 285.A O no hydrogen 2.860 N/A TYR 254.A N THR 55.A OG1 no hydrogen 2.927 N/A LYS 258.A N ASP 279.A O no hydrogen 3.072 N/A LYS 258.A NZ ASN 48.A O no hydrogen 3.021 N/A ILE 259.A N GLY 49.A O no hydrogen 2.727 N/A ARG 260.A N ALA 277.A O no hydrogen 2.906 N/A ARG 260.A NE ASP 279.A OD2 no hydrogen 2.887 N/A ARG 260.A NH2 ASP 279.A OD1 no hydrogen 2.932 N/A THR 262.A N MET 275.A O no hydrogen 3.019 N/A ARG 263.A NH1 ASP 264.A O no hydrogen 3.038 N/A ARG 263.A NH1 ASP 270.A O no hydrogen 3.020 N/A ARG 263.A NH1 ASP 270.A OD2 no hydrogen 3.522 N/A ARG 263.A NH2 ASP 270.A O no hydrogen 3.129 N/A ARG 263.A NH2 THR 272.A OG1 no hydrogen 2.930 N/A ALA 266.A N ASP 270.A OD2 no hydrogen 2.825 N/A ASP 269.A N SER 267.A OG no hydrogen 2.967 N/A ASP 270.A N SER 267.A O no hydrogen 3.112 N/A THR 272.A OG1 ASP 274.A OD2 no hydrogen 2.887 N/A MET 275.A N THR 272.A O no hydrogen 3.054 N/A ILE 276.A N SER 273.A O no hydrogen 3.453 N/A ALA 277.A N ARG 260.A O no hydrogen 2.693 N/A ASP 279.A N LYS 258.A O no hydrogen 2.884 N/A TYR 281.A OH LEU 54.A O no hydrogen 2.487 N/A CYS 283.A SG LEU 54.A O no hydrogen 3.983 N/A HIS 284.A N THR 55.A O no hydrogen 2.864 N/A HIS 284.A NE2 GLU 252.A O no hydrogen 2.770 N/A