Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ir3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N SER 1.A O no hydrogen 3.114 N/A VAL 5.A N SER 2.A O no hydrogen 3.085 N/A TRP 9.A N ASP 7.A OD1 no hydrogen 3.082 N/A GLU 10.A N ASP 7.A O no hydrogen 3.094 N/A VAL 11.A N VAL 85.A O no hydrogen 2.869 N/A SER 12.A OG GLU 14.A OE1 no hydrogen 3.004 N/A ARG 13.A NH1 PRO 91.A O no hydrogen 2.961 N/A ARG 13.A NH2 PRO 91.A O no hydrogen 3.082 N/A LYS 15.A N SER 12.A O no hydrogen 3.010 N/A LYS 15.A NZ ASP 37.A O no hydrogen 2.976 N/A ILE 16.A N ARG 13.A O no hydrogen 3.099 N/A THR 17.A N ASN 34.A O no hydrogen 2.982 N/A LEU 19.A N GLU 32.A O no hydrogen 2.886 N/A ARG 20.A N GLU 32.A O no hydrogen 3.438 N/A LEU 22.A N VAL 30.A O no hydrogen 2.787 N/A GLY 23.A N VAL 30.A O no hydrogen 3.177 N/A GLY 25.A N GLY 28.A O no hydrogen 2.825 N/A MET 29.A N THR 51.A OG1 no hydrogen 3.362 N/A VAL 30.A N GLY 23.A O no hydrogen 2.862 N/A TYR 31.A N VAL 49.A O no hydrogen 2.788 N/A GLU 32.A N ARG 20.A O no hydrogen 2.745 N/A GLY 33.A N VAL 47.A O no hydrogen 2.813 N/A ASN 34.A N THR 17.A O no hydrogen 2.913 N/A ALA 35.A N THR 45.A O no hydrogen 2.798 N/A ARG 36.A N LYS 15.A O no hydrogen 2.899 N/A ASP 37.A N ALA 43.A O no hydrogen 2.797 N/A GLU 42.A N ILE 39.A O no hydrogen 3.018 N/A THR 45.A N ALA 35.A O no hydrogen 2.764 N/A THR 45.A OG1 GLU 42.A OE1 no hydrogen 2.826 N/A ARG 46.A NH2 GLU 32.A OE2 no hydrogen 2.930 N/A VAL 47.A N GLY 33.A O no hydrogen 2.982 N/A ALA 48.A N MET 96.A O no hydrogen 3.022 N/A VAL 49.A N TYR 31.A O no hydrogen 2.716 N/A LYS 50.A N VAL 94.A O no hydrogen 2.875 N/A THR 51.A N MET 29.A O no hydrogen 2.921 N/A THR 51.A OG1 MET 29.A O no hydrogen 3.458 N/A ASN 53.A N PHE 27.A O no hydrogen 2.840 N/A ALA 56.A N ASN 53.A O no hydrogen 2.838 N/A SER 57.A N GLU 60.A OE1 no hydrogen 3.012 N/A GLU 60.A N SER 57.A OG no hydrogen 3.290 N/A ARG 61.A N SER 57.A O no hydrogen 2.977 N/A ARG 61.A NE ALA 56.A O no hydrogen 3.197 N/A ILE 62.A N LEU 58.A O no hydrogen 2.845 N/A GLU 63.A N ARG 59.A O no hydrogen 3.026 N/A PHE 64.A N GLU 60.A O no hydrogen 2.985 N/A LEU 65.A N ARG 61.A O no hydrogen 3.002 N/A ASN 66.A N ILE 62.A O no hydrogen 3.119 N/A ASN 66.A ND2 GLY 172.A O no hydrogen 3.442 N/A ASN 66.A ND2 THR 174.A O no hydrogen 3.272 N/A GLU 67.A N GLU 63.A O no hydrogen 2.958 N/A ALA 68.A N PHE 64.A O no hydrogen 2.962 N/A SER 69.A N LEU 65.A O no hydrogen 2.952 N/A VAL 70.A N ASN 66.A O no hydrogen 2.857 N/A MET 71.A N GLU 67.A O no hydrogen 3.202 N/A LYS 72.A N ALA 68.A O no hydrogen 3.200 N/A GLY 73.A N VAL 70.A O no hydrogen 3.153 N/A PHE 74.A N MET 71.A O no hydrogen 3.066 N/A THR 75.A N TYR 142.A OH no hydrogen 2.872 N/A HIS 78.A ND1 ASP 138.A OD2 no hydrogen 2.740 N/A VAL 79.A N CYS 76.A O no hydrogen 3.178 N/A VAL 80.A N ILE 168.A O no hydrogen 2.938 N/A ARG 81.A N GLU 97.A OE2 no hydrogen 2.868 N/A LEU 83.A N VAL 95.A O no hydrogen 2.742 N/A GLY 84.A N VAL 95.A O no hydrogen 3.138 N/A VAL 85.A N TRP 9.A O no hydrogen 2.839 N/A VAL 86.A N LEU 93.A O no hydrogen 2.815 N/A SER 87.A N GLU 10.A OE2 no hydrogen 3.013 N/A SER 87.A OG GLU 10.A OE1 no hydrogen 2.467 N/A LYS 88.A N GLU 10.A OE2 no hydrogen 3.149 N/A GLY 89.A N SER 87.A O no hydrogen 2.790 N/A LEU 93.A N VAL 86.A O no hydrogen 2.951 N/A VAL 94.A N LYS 50.A O no hydrogen 2.879 N/A VAL 95.A N GLY 84.A O no hydrogen 2.832 N/A MET 96.A N ALA 48.A O no hydrogen 2.790 N/A GLU 97.A N ARG 81.A O no hydrogen 2.869 N/A HIS 101.A N VAL 160.A O no hydrogen 2.978 N/A GLY 102.A N MET 99.A O no hydrogen 2.918 N/A LEU 104.A N CYS 158.A O no hydrogen 2.742 N/A LYS 105.A N ALA 155.A O no hydrogen 3.261 N/A SER 106.A N ASP 103.A OD2 no hydrogen 2.968 N/A SER 106.A OG ASP 103.A OD1 no hydrogen 2.838 N/A SER 106.A OG ASP 103.A OD2 no hydrogen 3.206 N/A TYR 107.A N ASP 103.A O no hydrogen 3.039 N/A LEU 108.A N LEU 104.A O no hydrogen 2.867 N/A ARG 109.A N LYS 105.A O no hydrogen 3.097 N/A ARG 109.A NE ALA 223.A O no hydrogen 2.741 N/A ARG 109.A NH2 ALA 223.A O no hydrogen 2.861 N/A SER 110.A N SER 106.A O no hydrogen 3.018 N/A SER 110.A OG TYR 107.A O no hydrogen 2.676 N/A LEU 111.A N LEU 108.A O no hydrogen 2.962 N/A ARG 112.A N ARG 109.A O no hydrogen 3.179 N/A ARG 112.A NE LEU 222.A O no hydrogen 3.045 N/A ARG 112.A NH2 LEU 222.A O no hydrogen 2.973 N/A ALA 115.A N ARG 112.A O no hydrogen 2.877 N/A ASN 118.A N ALA 115.A O no hydrogen 3.156 N/A ASN 118.A ND2 ARG 112.A O no hydrogen 3.011 N/A GLY 120.A N ASN 118.A OD1 no hydrogen 2.815 N/A ARG 121.A NE PRO 122.A O no hydrogen 2.801 N/A ARG 121.A NH1 GLU 128.A OE2 no hydrogen 3.160 N/A ARG 121.A NH2 PRO 122.A O no hydrogen 3.048 N/A ARG 121.A NH2 GLU 128.A OE1 no hydrogen 2.713 N/A ARG 121.A NH2 GLU 128.A OE2 no hydrogen 3.291 N/A THR 125.A N GLU 128.A OE1 no hydrogen 3.047 N/A GLU 128.A N THR 125.A OG1 no hydrogen 3.055 N/A MET 129.A N THR 125.A O no hydrogen 2.926 N/A ILE 130.A N LEU 126.A O no hydrogen 3.001 N/A GLN 131.A N GLN 127.A O no hydrogen 2.993 N/A GLN 131.A NE2 GLU 135.A OE2 no hydrogen 3.092 N/A MET 132.A N GLU 128.A O no hydrogen 3.020 N/A ALA 133.A N MET 129.A O no hydrogen 2.937 N/A ALA 134.A N ILE 130.A O no hydrogen 2.880 N/A GLU 135.A N GLN 131.A O no hydrogen 3.025 N/A ILE 136.A N MET 132.A O no hydrogen 2.993 N/A ALA 137.A N ALA 133.A O no hydrogen 2.912 N/A ASP 138.A N ALA 134.A O no hydrogen 2.868 N/A GLY 139.A N GLU 135.A O no hydrogen 3.002 N/A MET 140.A N ILE 136.A O no hydrogen 2.925 N/A ALA 141.A N ALA 137.A O no hydrogen 2.835 N/A TYR 142.A N ASP 138.A O no hydrogen 3.024 N/A LEU 143.A N GLY 139.A O no hydrogen 3.102 N/A ASN 144.A N MET 140.A O no hydrogen 2.921 N/A ALA 145.A N ALA 141.A O no hydrogen 2.857 N/A LYS 146.A N TYR 142.A O no hydrogen 2.964 N/A LYS 146.A N LEU 143.A O no hydrogen 3.145 N/A LYS 147.A N ASN 144.A O no hydrogen 2.976 N/A LYS 147.A NZ ASP 180.A OD1 no hydrogen 2.766 N/A PHE 148.A N LEU 143.A O no hydrogen 3.185 N/A VAL 149.A N ARG 175.A O no hydrogen 2.902 N/A HIS 150.A N ASP 208.A OD2 no hydrogen 2.963 N/A HIS 150.A NE2 GLY 169.A O no hydrogen 2.823 N/A ARG 151.A N ASP 208.A OD1 no hydrogen 3.010 N/A ARG 151.A NH1 MET 173.A O no hydrogen 2.925 N/A ASP 152.A N HIS 150.A ND1 no hydrogen 3.080 N/A ALA 155.A N GLU 218.A OE1 no hydrogen 3.005 N/A ARG 156.A NH2 ASP 152.A OD1 no hydrogen 2.875 N/A ASN 157.A N ALA 154.A O no hydrogen 2.875 N/A ASN 157.A ND2 ASP 152.A O no hydrogen 2.861 N/A CYS 158.A N ALA 155.A O no hydrogen 3.188 N/A CYS 158.A SG ALA 154.A O no hydrogen 3.606 N/A MET 159.A N LYS 167.A O no hydrogen 2.850 N/A VAL 160.A N GLY 102.A O no hydrogen 2.776 N/A ALA 161.A N THR 165.A O no hydrogen 2.806 N/A PHE 164.A N ALA 161.A O no hydrogen 2.797 N/A THR 165.A N ASP 163.A OD1 no hydrogen 3.159 N/A THR 165.A OG1 ASP 163.A OD1 no hydrogen 2.750 N/A THR 165.A OG1 ASP 163.A OD2 no hydrogen 3.396 N/A VAL 166.A N GLU 135.A OE1 no hydrogen 2.890 N/A LYS 167.A N MET 159.A O no hydrogen 2.910 N/A LYS 167.A NZ HIS 77.A O no hydrogen 3.049 N/A LYS 167.A NZ GLU 97.A OE1 no hydrogen 2.895 N/A ILE 168.A N HIS 78.A O no hydrogen 2.903 N/A GLY 169.A N ASN 157.A O no hydrogen 2.886 N/A GLY 172.A N ASP 170.A OD1 no hydrogen 3.205 N/A THR 174.A N PHE 171.A O no hydrogen 3.226 N/A ARG 175.A N VAL 149.A O no hydrogen 2.928 N/A ARG 175.A NH1 THR 174.A O no hydrogen 2.997 N/A ILE 177.A N LYS 147.A O no hydrogen 2.924 N/A ASP 180.A N ILE 177.A O no hydrogen 2.772 N/A LYS 182.A N GLY 201.A O no hydrogen 2.943 N/A LYS 182.A NZ GLY 184.A O no hydrogen 2.778 N/A VAL 190.A N LEU 188.A O no hydrogen 2.866 N/A ARG 191.A NE ASN 232.A OD1 no hydrogen 3.033 N/A ARG 191.A NH1 PRO 226.A O no hydrogen 2.893 N/A ARG 191.A NH1 TYR 227.A O no hydrogen 3.139 N/A ARG 191.A NH1 LEU 230.A O no hydrogen 3.173 N/A ARG 191.A NH2 LEU 230.A O no hydrogen 2.796 N/A ARG 191.A NH2 ASN 232.A OD1 no hydrogen 3.327 N/A TRP 192.A N PRO 189.A O no hydrogen 2.887 N/A TRP 192.A NE1 GLU 218.A OE1 no hydrogen 2.927 N/A MET 193.A N VAL 190.A O no hydrogen 3.222 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.874 N/A SER 197.A N ALA 194.A O no hydrogen 3.062 N/A SER 197.A OG VAL 202.A O no hydrogen 2.689 N/A LEU 198.A N ALA 194.A O no hydrogen 3.086 N/A LYS 199.A N PRO 195.A O no hydrogen 2.917 N/A ASP 200.A N GLU 196.A O no hydrogen 2.842 N/A GLY 201.A N SER 197.A O no hydrogen 2.797 N/A THR 204.A N SER 207.A OG no hydrogen 2.820 N/A SER 206.A N THR 204.A OG1 no hydrogen 2.981 N/A SER 206.A OG PRO 267.A O no hydrogen 3.264 N/A SER 207.A N THR 204.A O no hydrogen 3.021 N/A SER 207.A N THR 204.A OG1 no hydrogen 3.181 N/A SER 207.A OG THR 204.A O no hydrogen 2.790 N/A ASP 208.A N THR 204.A O no hydrogen 3.158 N/A MET 209.A N THR 205.A O no hydrogen 3.021 N/A TRP 210.A N SER 206.A O no hydrogen 3.167 N/A SER 211.A N SER 207.A O no hydrogen 3.242 N/A SER 211.A OG TRP 192.A O no hydrogen 2.743 N/A SER 211.A OG SER 207.A O no hydrogen 3.335 N/A PHE 212.A N ASP 208.A O no hydrogen 2.870 N/A GLY 213.A N MET 209.A O no hydrogen 3.090 N/A VAL 214.A N TRP 210.A O no hydrogen 3.326 N/A VAL 215.A N SER 211.A O no hydrogen 2.936 N/A LEU 216.A N PHE 212.A O no hydrogen 3.031 N/A TRP 217.A N GLY 213.A O no hydrogen 3.049 N/A GLU 218.A N VAL 214.A O no hydrogen 2.842 N/A ILE 219.A N VAL 215.A O no hydrogen 2.851 N/A THR 220.A N LEU 216.A O no hydrogen 2.947 N/A THR 220.A OG1 LEU 216.A O no hydrogen 2.889 N/A THR 220.A OG1 TRP 217.A O no hydrogen 3.294 N/A SER 221.A N GLU 218.A O no hydrogen 3.296 N/A SER 221.A OG TRP 217.A O no hydrogen 2.924 N/A SER 221.A OG GLU 218.A O no hydrogen 3.429 N/A LEU 222.A N ILE 219.A O no hydrogen 3.387 N/A ALA 223.A N GLU 218.A O no hydrogen 2.700 N/A GLU 224.A N SER 221.A OG no hydrogen 3.299 N/A GLN 228.A N GLN 225.A O no hydrogen 3.233 N/A LEU 230.A N TYR 227.A O no hydrogen 2.956 N/A SER 231.A N GLN 234.A OE1 no hydrogen 2.819 N/A SER 231.A OG GLN 234.A OE1 no hydrogen 3.212 N/A GLN 234.A N SER 231.A OG no hydrogen 3.336 N/A VAL 235.A N SER 231.A O no hydrogen 2.939 N/A LEU 236.A N ASN 232.A O no hydrogen 3.020 N/A LYS 237.A N GLU 233.A O no hydrogen 3.263 N/A LYS 237.A NZ ASP 241.A OD1 no hydrogen 3.194 N/A LYS 237.A NZ ASP 241.A OD2 no hydrogen 3.226 N/A PHE 238.A N GLN 234.A O no hydrogen 2.835 N/A VAL 239.A N VAL 235.A O no hydrogen 2.890 N/A MET 240.A N LEU 236.A O no hydrogen 3.115 N/A ASP 241.A N LYS 237.A O no hydrogen 3.028 N/A GLY 242.A N VAL 239.A O no hydrogen 2.888 N/A GLY 243.A N PHE 238.A O no hydrogen 2.872 N/A CYS 251.A N PRO 248.A O no hydrogen 3.218 N/A CYS 251.A SG GLN 247.A OE1 no hydrogen 3.560 N/A CYS 251.A SG PRO 252.A O no hydrogen 3.708 N/A CYS 251.A SG THR 256.A OG1 no hydrogen 3.324 N/A ARG 254.A NH2 LEU 279.A O no hydrogen 3.462 N/A THR 256.A N PRO 252.A O no hydrogen 3.009 N/A THR 256.A OG1 GLN 247.A OE1 no hydrogen 2.605 N/A THR 256.A OG1 PRO 252.A O no hydrogen 3.480 N/A ASP 257.A N GLU 253.A O no hydrogen 2.938 N/A LEU 258.A N ARG 254.A O no hydrogen 3.323 N/A MET 259.A N VAL 255.A O no hydrogen 3.017 N/A ARG 260.A N THR 256.A O no hydrogen 3.023 N/A MET 261.A N ASP 257.A O no hydrogen 3.305 N/A CYS 262.A N LEU 258.A O no hydrogen 3.091 N/A CYS 262.A SG MET 209.A O no hydrogen 3.467 N/A CYS 262.A SG LEU 258.A O no hydrogen 3.382 N/A TRP 263.A N MET 259.A O no hydrogen 3.006 N/A GLN 264.A NE2 MET 261.A O no hydrogen 3.029 N/A GLN 264.A NE2 MET 269.A O no hydrogen 2.751 N/A LYS 268.A N ASN 266.A OD1 no hydrogen 3.005 N/A MET 269.A N ASN 266.A O no hydrogen 2.935 N/A ARG 270.A N PRO 267.A O no hydrogen 3.320 N/A ARG 270.A NE GLN 264.A O no hydrogen 2.802 N/A ARG 270.A NH1 GLU 196.A OE2 no hydrogen 2.872 N/A ARG 270.A NH1 SER 206.A O no hydrogen 3.120 N/A ARG 270.A NH2 GLU 196.A OE1 no hydrogen 2.894 N/A ARG 270.A NH2 GLN 264.A O no hydrogen 3.141 N/A THR 272.A N GLU 275.A OE1 no hydrogen 3.096 N/A GLU 275.A N THR 272.A OG1 no hydrogen 3.205 N/A ILE 276.A N THR 272.A O no hydrogen 3.128 N/A VAL 277.A N PHE 273.A O no hydrogen 3.083 N/A ASN 278.A N LEU 274.A O no hydrogen 2.941 N/A LEU 279.A N GLU 275.A O no hydrogen 3.066 N/A LEU 280.A N ILE 276.A O no hydrogen 3.267 N/A LEU 280.A N VAL 277.A O no hydrogen 3.129 N/A LYS 281.A NZ ASN 278.A O no hydrogen 3.454 N/A LYS 281.A NZ ASN 278.A OD1 no hydrogen 2.957 N/A ASP 283.A N LEU 280.A O no hydrogen 3.232 N/A HIS 285.A N GLN 131.A OE1 no hydrogen 2.973 N/A HIS 285.A ND1 SER 287.A OG no hydrogen 2.696 N/A SER 287.A N HIS 285.A ND1 no hydrogen 3.196 N/A SER 287.A OG HIS 285.A ND1 no hydrogen 2.696 N/A PHE 288.A N HIS 285.A O no hydrogen 2.953 N/A GLU 290.A N SER 287.A O no hydrogen 2.880 N/A VAL 291.A N PHE 288.A O no hydrogen 3.125 N/A SER 292.A N PHE 288.A O no hydrogen 2.830 N/A SER 292.A OG PHE 288.A O no hydrogen 3.335 N/A SER 292.A OG HIS 295.A ND1 no hydrogen 2.774 N/A PHE 293.A N ASP 138.A OD2 no hydrogen 2.870 N/A PHE 294.A N ASP 138.A OD1 no hydrogen 2.837 N/A HIS 295.A N SER 292.A OG no hydrogen 2.957 N/A HIS 295.A ND1 SER 292.A OG no hydrogen 2.774 N/A SER 296.A N PHE 293.A O no hydrogen 3.040 N/A SER 296.A OG PHE 293.A O no hydrogen 2.537 N/A ASN 299.A N SER 296.A O no hydrogen 3.125 N/A ASN 299.A ND2 PHE 294.A O no hydrogen 3.013 N/A LYS 300.A N GLU 298.A O no hydrogen 2.782 N/A