Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ira_Y.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG ASP 1.A OD2 no hydrogen 3.082 N/A LYS 4.A N CYS 84.A O no hydrogen 2.818 N/A ARG 6.A N ARG 86.A O no hydrogen 2.781 N/A ARG 6.A NH1 GLU 30.A OE1 no hydrogen 3.129 N/A ARG 6.A NH1 GLU 30.A OE2 no hydrogen 2.857 N/A ARG 6.A NH2 PRO 25.A O no hydrogen 2.978 N/A ARG 6.A NH2 GLU 30.A OE1 no hydrogen 3.171 N/A GLU 8.A N LYS 88.A O no hydrogen 3.088 N/A SER 14.A N LYS 92.A O no hydrogen 2.865 N/A SER 14.A OG ASP 20.A OD2 no hydrogen 2.955 N/A ALA 16.A N VAL 94.A O no hydrogen 2.688 N/A ASN 17.A N ALA 66.A O no hydrogen 2.709 N/A ASP 20.A N PHE 63.A O no hydrogen 3.189 N/A ARG 22.A N LEU 61.A O no hydrogen 2.902 N/A ARG 22.A NE ASP 20.A OD2 no hydrogen 2.851 N/A ARG 22.A NH1 LEU 12.A O no hydrogen 3.292 N/A ARG 22.A NH2 LEU 12.A O no hydrogen 2.872 N/A ARG 22.A NH2 SER 14.A OG no hydrogen 2.702 N/A ARG 22.A NH2 ASP 20.A OD2 no hydrogen 3.403 N/A ASN 27.A N GLU 30.A OE1 no hydrogen 3.239 N/A GLU 30.A N ASN 27.A O no hydrogen 2.781 N/A ILE 35.A N GLU 59.A OE2 no hydrogen 3.107 N/A THR 36.A N VAL 77.A O no hydrogen 2.952 N/A TRP 37.A N GLN 56.A OE1 no hydrogen 3.285 N/A TRP 37.A NE1 GLU 59.A O no hydrogen 2.830 N/A TYR 38.A N TYR 75.A O no hydrogen 2.719 N/A LYS 39.A N THR 44.A O no hydrogen 2.953 N/A LYS 43.A N ASP 41.A OD1 no hydrogen 3.188 N/A THR 44.A N ASP 41.A O no hydrogen 3.240 N/A THR 44.A N ASP 41.A OD1 no hydrogen 2.884 N/A THR 44.A OG1 ASP 41.A OD1 no hydrogen 2.767 N/A THR 44.A OG1 ASP 41.A OD2 no hydrogen 2.932 N/A VAL 46.A N TRP 37.A O no hydrogen 3.045 N/A SER 47.A OG SER 52.A OG no hydrogen 2.823 N/A GLU 49.A N SER 47.A OG no hydrogen 3.285 N/A SER 52.A N GLU 49.A O no hydrogen 2.982 N/A SER 52.A OG SER 47.A OG no hydrogen 2.823 N/A SER 52.A OG GLU 49.A O no hydrogen 2.780 N/A ARG 53.A NE PRO 65.A O no hydrogen 3.129 N/A ARG 53.A NH2 PRO 65.A O no hydrogen 3.089 N/A ARG 53.A NH2 ASP 70.A OD1 no hydrogen 3.239 N/A HIS 55.A N TRP 62.A O no hydrogen 3.077 N/A HIS 55.A ND1 SER 52.A O no hydrogen 2.764 N/A HIS 55.A ND1 ARG 53.A O no hydrogen 3.054 N/A HIS 55.A NE2 TYR 182.A OH no hydrogen 2.730 N/A GLN 56.A N SER 47.A O no hydrogen 2.831 N/A GLN 56.A NE2 VAL 46.A O no hydrogen 2.961 N/A HIS 57.A N LYS 60.A O no hydrogen 2.908 N/A LYS 60.A N HIS 57.A O no hydrogen 3.014 N/A LYS 60.A NZ LYS 58.A O no hydrogen 3.024 N/A LEU 61.A N ARG 22.A O no hydrogen 2.856 N/A TRP 62.A N HIS 55.A O no hydrogen 2.846 N/A TRP 62.A NE1 HIS 57.A O no hydrogen 2.820 N/A PHE 63.A N ASP 20.A O no hydrogen 2.952 N/A VAL 64.A N ARG 53.A O no hydrogen 3.191 N/A ALA 66.A N GLU 18.A O no hydrogen 2.834 N/A LYS 67.A N ASP 70.A OD2 no hydrogen 3.432 N/A LYS 67.A NZ GLU 95.A OE2 no hydrogen 3.570 N/A ASP 70.A N LYS 67.A O no hydrogen 2.753 N/A SER 71.A N VAL 68.A O no hydrogen 3.128 N/A SER 71.A OG VAL 68.A O no hydrogen 2.896 N/A GLY 72.A N ALA 91.A O no hydrogen 2.789 N/A HIS 73.A ND1 ILE 89.A O no hydrogen 3.119 N/A TYR 74.A N ILE 89.A O no hydrogen 3.359 N/A TYR 74.A OH ASP 70.A O no hydrogen 2.765 N/A TYR 75.A N TYR 38.A O no hydrogen 2.872 N/A CYS 76.A N ILE 87.A O no hydrogen 3.167 N/A VAL 77.A N THR 36.A O no hydrogen 2.839 N/A VAL 78.A N LEU 85.A O no hydrogen 2.803 N/A ARG 79.A N THR 34.A O no hydrogen 3.380 N/A ASN 80.A N TYR 83.A O no hydrogen 2.605 N/A TYR 83.A N ASN 80.A O no hydrogen 3.118 N/A LEU 85.A N VAL 78.A O no hydrogen 2.857 N/A ARG 86.A NH1 GLU 5.A OE1 no hydrogen 3.328 N/A ILE 87.A N CYS 76.A O no hydrogen 2.989 N/A LYS 88.A N ARG 6.A O no hydrogen 2.790 N/A LYS 88.A NZ GLU 7.A OE2 no hydrogen 3.409 N/A ILE 89.A N TYR 74.A O no hydrogen 2.973 N/A ALA 91.A N GLY 72.A O no hydrogen 2.845 N/A LYS 92.A N LEU 12.A O no hydrogen 3.432 N/A LYS 92.A NZ GLN 105.A OE1 no hydrogen 3.489 N/A PHE 93.A N SER 71.A OG no hydrogen 2.847 N/A VAL 94.A N SER 14.A O no hydrogen 2.846 N/A GLU 97.A N TYR 102.A O no hydrogen 3.050 N/A LEU 100.A N GLU 97.A O no hydrogen 2.954 N/A ASN 103.A ND2 GLU 95.A O no hydrogen 2.803 N/A ALA 104.A N GLU 97.A OE2 no hydrogen 2.935 N/A GLN 105.A N ASN 103.A OD1 no hydrogen 2.991 N/A GLN 105.A NE2 ASN 103.A OD1 no hydrogen 3.453 N/A ALA 106.A N ASN 103.A O no hydrogen 2.987 N/A ILE 107.A N ALA 104.A O no hydrogen 3.026 N/A PHE 108.A N VAL 192.A O no hydrogen 3.055 N/A LYS 109.A NZ GLU 194.A OE1 no hydrogen 3.275 N/A GLN 110.A N GLU 194.A O no hydrogen 2.985 N/A LEU 112.A N ILE 196.A O no hydrogen 3.171 N/A VAL 114.A N LEU 198.A O no hydrogen 2.923 N/A ALA 115.A N VAL 166.A O no hydrogen 2.871 N/A GLY 116.A N VAL 114.A O no hydrogen 2.833 N/A GLY 118.A N VAL 163.A O no hydrogen 3.044 N/A LEU 120.A N LEU 161.A O no hydrogen 3.053 N/A CYS 122.A N ASP 159.A O no hydrogen 2.809 N/A PHE 128.A N MET 125.A O no hydrogen 2.947 N/A LYS 129.A NZ GLU 126.A O no hydrogen 2.911 N/A ASN 130.A N GLU 134.A O no hydrogen 2.981 N/A ASN 130.A ND2 ASN 132.A OD1 no hydrogen 2.764 N/A ASN 133.A N ASN 130.A O no hydrogen 2.648 N/A GLN 139.A N HIS 177.A O no hydrogen 3.005 N/A TYR 141.A N THR 175.A O no hydrogen 3.052 N/A LYS 142.A N LYS 145.A O no hydrogen 2.867 N/A LYS 142.A NZ ASP 143.A OD2 no hydrogen 3.252 N/A LYS 142.A NZ ARG 171.A O no hydrogen 3.519 N/A ASP 143.A N ASN 173.A O no hydrogen 2.759 N/A LYS 145.A N LYS 142.A O no hydrogen 3.155 N/A LEU 147.A N TRP 140.A O no hydrogen 3.300 N/A ASN 151.A N PHE 154.A O no hydrogen 2.866 N/A ILE 152.A N ASP 150.A OD1 no hydrogen 3.114 N/A HIS 153.A N ASP 150.A OD1 no hydrogen 2.885 N/A SER 155.A N ILE 162.A O no hydrogen 2.961 N/A VAL 157.A N ARG 160.A O no hydrogen 2.977 N/A ARG 160.A N VAL 157.A O no hydrogen 2.880 N/A LEU 161.A N LEU 120.A O no hydrogen 2.837 N/A ILE 162.A N SER 155.A O no hydrogen 2.783 N/A VAL 163.A N GLY 118.A O no hydrogen 2.786 N/A MET 164.A N HIS 153.A O no hydrogen 3.192 N/A ASN 165.A N ASP 117.A OD1 no hydrogen 2.831 N/A VAL 166.A N GLY 116.A O no hydrogen 2.817 N/A HIS 170.A N ALA 167.A O no hydrogen 3.012 N/A ARG 171.A N GLU 168.A O no hydrogen 3.022 N/A ASN 173.A N ASP 143.A OD1 no hydrogen 3.172 N/A ASN 173.A ND2 TYR 102.A OH no hydrogen 3.149 N/A TYR 174.A N ILE 193.A O no hydrogen 2.753 N/A TYR 174.A OH HIS 170.A O no hydrogen 2.731 N/A THR 175.A N TYR 141.A O no hydrogen 3.009 N/A CYS 176.A N ARG 191.A O no hydrogen 3.128 N/A CYS 176.A SG ARG 191.A O no hydrogen 3.595 N/A HIS 177.A N GLN 139.A O no hydrogen 2.933 N/A ALA 178.A N ILE 189.A O no hydrogen 2.880 N/A TYR 180.A N TYR 187.A O no hydrogen 2.825 N/A TYR 182.A OH HIS 55.A NE2 no hydrogen 2.730 N/A TYR 187.A N TYR 180.A O no hydrogen 2.834 N/A ILE 189.A N ALA 178.A O no hydrogen 2.816 N/A THR 190.A OG1 GLU 18.A OE1 no hydrogen 2.944 N/A THR 190.A OG1 GLU 18.A OE2 no hydrogen 2.854 N/A ARG 191.A N CYS 176.A O no hydrogen 3.245 N/A ARG 191.A NE PRO 123.A O no hydrogen 2.744 N/A ARG 191.A NH2 TYR 124.A O no hydrogen 2.802 N/A ILE 193.A N TYR 174.A O no hydrogen 2.743 N/A GLU 194.A N PHE 108.A O no hydrogen 2.853 N/A PHE 195.A N GLY 172.A O no hydrogen 3.010 N/A ILE 196.A N GLN 110.A O no hydrogen 2.903 N/A LEU 198.A N LEU 112.A O no hydrogen 2.880 N/A THR 204.A N LYS 202.A O no hydrogen 2.926 N/A ARG 205.A NE ILE 300.A O no hydrogen 3.322 N/A VAL 207.A N THR 231.A O no hydrogen 2.980 N/A ILE 208.A N ASP 301.A OD2 no hydrogen 2.880 N/A VAL 209.A N ASN 229.A O no hydrogen 2.879 N/A ALA 212.A N GLU 214.A OE2 no hydrogen 2.978 N/A GLU 214.A N TYR 304.A O no hydrogen 3.300 N/A MET 216.A N GLN 306.A O no hydrogen 2.968 N/A VAL 218.A N ILE 308.A O no hydrogen 2.796 N/A GLY 221.A N ILE 281.A O no hydrogen 3.126 N/A SER 222.A OG ASP 219.A O no hydrogen 2.686 N/A GLN 223.A NE2 SER 279.A O no hydrogen 2.919 N/A ILE 224.A N ILE 278.A O no hydrogen 3.345 N/A GLN 225.A NE2 ASN 277.A OD1 no hydrogen 2.846 N/A LEU 226.A N LEU 276.A O no hydrogen 2.895 N/A CYS 228.A N THR 274.A O no hydrogen 2.964 N/A CYS 228.A SG SER 210.A O no hydrogen 3.612 N/A ASN 229.A N SER 210.A O no hydrogen 2.722 N/A VAL 230.A N LEU 272.A O no hydrogen 2.958 N/A THR 231.A N VAL 207.A O no hydrogen 2.753 N/A GLY 232.A N SER 270.A O no hydrogen 2.800 N/A GLN 233.A N GLN 233.A OE1 no hydrogen 2.889 N/A ASP 236.A N GLN 233.A O no hydrogen 2.853 N/A ILE 237.A N LYS 295.A O no hydrogen 3.051 N/A TYR 239.A N PHE 293.A O no hydrogen 2.800 N/A TRP 240.A NE1 THR 274.A O no hydrogen 2.861 N/A LYS 241.A N THR 291.A O no hydrogen 2.730 N/A TRP 242.A N SER 245.A O no hydrogen 2.821 N/A TRP 242.A NE1 HIS 288.A O no hydrogen 2.930 N/A SER 245.A N TRP 242.A O no hydrogen 2.977 N/A SER 245.A OG ASN 243.A O no hydrogen 3.033 N/A ASP 251.A N ASP 248.A O no hydrogen 2.965 N/A GLY 255.A N ASN 277.A O no hydrogen 3.153 N/A ASP 257.A N VAL 275.A O no hydrogen 2.946 N/A TYR 259.A N ILE 273.A O no hydrogen 2.937 N/A VAL 261.A N THR 271.A O no hydrogen 2.862 N/A ASN 263.A N SER 270.A OG no hydrogen 2.975 N/A ASN 263.A ND2 ARG 269.A O no hydrogen 2.872 N/A ALA 265.A N ASN 263.A OD1 no hydrogen 2.822 N/A ASN 266.A N ASN 263.A OD1 no hydrogen 3.146 N/A ARG 268.A N ASN 266.A OD1 no hydrogen 2.870 N/A ARG 268.A NH1 LYS 202.A O no hydrogen 3.469 N/A ARG 268.A NH2 LYS 202.A O no hydrogen 2.863 N/A ARG 269.A N ASN 266.A O no hydrogen 2.912 N/A SER 270.A N GLY 232.A O no hydrogen 2.914 N/A SER 270.A OG LYS 267.A O no hydrogen 3.154 N/A THR 271.A N VAL 261.A O no hydrogen 3.132 N/A THR 271.A OG1 VAL 261.A O no hydrogen 3.557 N/A LEU 272.A N VAL 230.A O no hydrogen 2.812 N/A ILE 273.A N TYR 259.A O no hydrogen 2.792 N/A THR 274.A N CYS 228.A O no hydrogen 3.111 N/A THR 274.A OG1 ALA 238.A O no hydrogen 3.448 N/A VAL 275.A N ASP 257.A O no hydrogen 3.036 N/A LEU 276.A N LEU 226.A O no hydrogen 2.786 N/A ASN 277.A N GLY 255.A O no hydrogen 2.805 N/A ASN 277.A ND2 GLY 255.A O no hydrogen 2.957 N/A ILE 278.A N ILE 224.A O no hydrogen 2.976 N/A SER 279.A N VAL 253.A O no hydrogen 2.855 N/A SER 279.A OG VAL 253.A O no hydrogen 3.175 N/A ILE 281.A N SER 222.A O no hydrogen 2.746 N/A PHE 285.A N GLU 282.A O no hydrogen 3.114 N/A TYR 286.A N SER 283.A O no hydrogen 3.216 N/A TYR 286.A OH VAL 218.A O no hydrogen 2.790 N/A LYS 287.A N ARG 284.A O no hydrogen 2.944 N/A PHE 290.A N ILE 305.A O no hydrogen 2.871 N/A THR 291.A N LYS 241.A O no hydrogen 2.809 N/A CYS 292.A N ALA 303.A O no hydrogen 2.793 N/A CYS 292.A SG TYR 239.A O no hydrogen 3.890 N/A PHE 293.A N TYR 239.A O no hydrogen 2.766 N/A ALA 294.A N ASP 301.A O no hydrogen 3.051 N/A LYS 295.A N ILE 237.A O no hydrogen 2.816 N/A LYS 295.A NZ TYR 239.A OH no hydrogen 3.480 N/A ASN 296.A N GLY 299.A O no hydrogen 3.392 N/A ASN 296.A ND2 THR 204.A O no hydrogen 3.295 N/A ASN 296.A ND2 ASP 236.A OD1 no hydrogen 3.097 N/A HIS 298.A N ASN 296.A OD1 no hydrogen 2.741 N/A HIS 298.A ND1 THR 204.A O no hydrogen 2.905 N/A GLY 299.A N ASN 296.A OD1 no hydrogen 3.353 N/A ASP 301.A N ALA 294.A O no hydrogen 2.781 N/A ALA 303.A N CYS 292.A O no hydrogen 3.294 N/A TYR 304.A N ASN 213.A OD1 no hydrogen 3.167 N/A ILE 305.A N PHE 290.A O no hydrogen 2.903 N/A GLN 306.A N GLU 214.A O no hydrogen 2.824 N/A GLN 306.A NE2 TYR 286.A O no hydrogen 3.330 N/A GLN 306.A NE2 LEU 307.A O no hydrogen 2.907 N/A ILE 308.A N MET 216.A O no hydrogen 2.853 N/A VAL 311.A N GLU 217.A OE2 no hydrogen 3.304 N/A