Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1rqi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 8.A N PHE 4.A O no hydrogen 3.032 N/A GLU 9.A N PRO 5.A O no hydrogen 3.304 N/A ALA 10.A N GLN 6.A O no hydrogen 2.966 N/A CYS 11.A N GLN 7.A O no hydrogen 2.915 N/A CYS 11.A SG ARG 47.A O no hydrogen 3.583 N/A VAL 12.A N LEU 8.A O no hydrogen 3.085 N/A LYS 13.A N GLU 9.A O no hydrogen 3.028 N/A GLN 14.A N ALA 10.A O no hydrogen 3.014 N/A ALA 15.A N CYS 11.A O no hydrogen 2.892 N/A ASN 16.A N VAL 12.A O no hydrogen 2.908 N/A GLN 17.A N LYS 13.A O no hydrogen 3.157 N/A ALA 18.A N GLN 14.A O no hydrogen 2.980 N/A LEU 19.A N ALA 15.A O no hydrogen 2.820 N/A SER 20.A N ASN 16.A O no hydrogen 2.865 N/A SER 20.A OG ASN 16.A O no hydrogen 2.950 N/A ARG 21.A N ALA 18.A O no hydrogen 3.377 N/A PHE 22.A N ALA 18.A O no hydrogen 3.239 N/A PHE 22.A N LEU 19.A O no hydrogen 3.078 N/A ILE 23.A N LEU 19.A O no hydrogen 3.027 N/A ILE 23.A N SER 20.A O no hydrogen 3.249 N/A ALA 24.A N SER 20.A O no hydrogen 2.973 N/A LEU 26.A N ILE 23.A O no hydrogen 3.160 N/A GLN 29.A NE2 ILE 23.A O no hydrogen 2.720 N/A GLN 29.A NE2 LEU 26.A O no hydrogen 2.867 N/A THR 31.A OG1 PHE 28.A O no hydrogen 2.646 N/A GLU 35.A N THR 31.A O no hydrogen 2.974 N/A THR 36.A N PRO 32.A O no hydrogen 2.922 N/A THR 36.A OG1 PRO 32.A O no hydrogen 2.543 N/A MET 37.A N VAL 33.A O no hydrogen 3.062 N/A GLN 38.A N VAL 34.A O no hydrogen 2.973 N/A GLN 38.A NE2 VAL 34.A O no hydrogen 3.056 N/A TYR 39.A N GLU 35.A O no hydrogen 2.944 N/A TYR 39.A OH PRO 100.A O no hydrogen 2.587 N/A GLY 40.A N THR 36.A O no hydrogen 2.991 N/A ALA 41.A N MET 37.A O no hydrogen 2.747 N/A LEU 42.A N GLN 38.A O no hydrogen 3.021 N/A LEU 43.A N TYR 39.A O no hydrogen 3.236 N/A LYS 46.A NZ LYS 300.A O no hydrogen 3.307 N/A ARG 47.A NE ASN 16.A OD1 no hydrogen 2.829 N/A ARG 47.A NH1 GLY 44.A O no hydrogen 2.890 N/A ARG 47.A NH2 ASN 16.A OD1 no hydrogen 2.945 N/A ARG 47.A NH2 GLY 44.A O no hydrogen 2.896 N/A PHE 51.A N ARG 47.A O no hydrogen 3.055 N/A LEU 52.A N LEU 48.A O no hydrogen 2.862 N/A VAL 53.A N ARG 49.A O no hydrogen 3.022 N/A TYR 54.A N PRO 50.A O no hydrogen 2.866 N/A TYR 54.A OH ASP 68.A OD1 no hydrogen 2.410 N/A ALA 55.A N PHE 51.A O no hydrogen 2.802 N/A THR 56.A N LEU 52.A O no hydrogen 3.012 N/A THR 56.A OG1 LEU 52.A O no hydrogen 2.696 N/A GLY 57.A N VAL 53.A O no hydrogen 2.981 N/A HIS 58.A N TYR 54.A O no hydrogen 2.901 N/A HIS 58.A NE2 THR 64.A OG1 no hydrogen 2.661 N/A MET 59.A N ALA 55.A O no hydrogen 3.269 N/A PHE 60.A N GLY 57.A O no hydrogen 3.010 N/A GLY 61.A N HIS 58.A O no hydrogen 3.143 N/A VAL 62.A N GLY 57.A O no hydrogen 3.074 N/A SER 63.A N GLU 133.A OE2 no hydrogen 3.386 N/A THR 64.A OG1 HIS 58.A NE2 no hydrogen 2.661 N/A THR 66.A OG1 GLU 133.A OE1 no hydrogen 2.268 N/A LEU 67.A N SER 63.A O no hydrogen 3.132 N/A ASP 68.A N THR 64.A O no hydrogen 3.009 N/A ALA 69.A N THR 66.A O no hydrogen 3.364 N/A ALA 71.A N LEU 67.A O no hydrogen 2.944 N/A ALA 72.A N ASP 68.A O no hydrogen 2.916 N/A ALA 73.A N ALA 69.A O no hydrogen 2.995 N/A VAL 74.A N PRO 70.A O no hydrogen 2.819 N/A GLU 75.A N ALA 71.A O no hydrogen 3.149 N/A CYS 76.A N ALA 72.A O no hydrogen 2.749 N/A CYS 76.A SG ALA 72.A O no hydrogen 3.345 N/A ILE 77.A N ALA 73.A O no hydrogen 3.077 N/A HIS 78.A N VAL 74.A O no hydrogen 2.926 N/A ALA 79.A N GLU 75.A O no hydrogen 2.918 N/A TYR 80.A N CYS 76.A O no hydrogen 3.023 N/A SER 81.A N ILE 77.A O no hydrogen 2.986 N/A SER 81.A OG HIS 78.A O no hydrogen 2.512 N/A LEU 82.A N HIS 78.A O no hydrogen 3.166 N/A LEU 82.A N ALA 79.A O no hydrogen 3.272 N/A ILE 83.A N ALA 79.A O no hydrogen 3.176 N/A HIS 84.A N TYR 80.A O no hydrogen 3.104 N/A HIS 84.A NE2 ILE 112.A O no hydrogen 3.067 N/A ASP 85.A N SER 81.A O no hydrogen 3.009 N/A ASP 86.A N LEU 82.A O no hydrogen 3.000 N/A LEU 87.A N HIS 84.A O no hydrogen 3.383 N/A MET 90.A N LEU 87.A O no hydrogen 2.713 N/A ASP 91.A N ASP 85.A O no hydrogen 2.851 N/A ASP 92.A N LEU 87.A O no hydrogen 3.010 N/A ASP 93.A N ASP 86.A O no hydrogen 3.247 N/A ARG 96.A N LEU 99.A O no hydrogen 2.789 N/A ARG 96.A NE ASP 86.A OD1 no hydrogen 2.739 N/A ARG 96.A NH1 ASP 86.A OD1 no hydrogen 3.483 N/A ARG 96.A NH1 ASP 86.A OD2 no hydrogen 2.817 N/A ARG 97.A NH1 GLY 40.A O no hydrogen 2.768 N/A GLY 98.A N GLY 237.A O no hydrogen 3.040 N/A LEU 99.A N ARG 96.A O no hydrogen 3.161 N/A THR 101.A N ASP 94.A O no hydrogen 3.111 N/A THR 101.A OG1 ASP 93.A O no hydrogen 2.822 N/A CYS 102.A SG THR 36.A O no hydrogen 3.708 N/A HIS 103.A NE2 ASP 93.A O no hydrogen 2.887 N/A LYS 105.A N THR 101.A O no hydrogen 2.971 N/A PHE 106.A N CYS 102.A O no hydrogen 2.809 N/A GLY 107.A N HIS 103.A O no hydrogen 2.836 N/A ALA 111.A N GLY 107.A O no hydrogen 3.150 N/A ILE 112.A N GLU 108.A O no hydrogen 2.862 N/A LEU 113.A N ALA 109.A O no hydrogen 3.031 N/A ALA 114.A N ASN 110.A O no hydrogen 2.906 N/A GLY 115.A N ALA 111.A O no hydrogen 3.065 N/A ASP 116.A N ILE 112.A O no hydrogen 3.016 N/A ALA 117.A N LEU 113.A O no hydrogen 2.717 N/A LEU 118.A N ALA 114.A O no hydrogen 2.894 N/A GLN 119.A N GLY 115.A O no hydrogen 3.047 N/A THR 120.A N ASP 116.A O no hydrogen 3.211 N/A THR 120.A OG1 ASP 116.A O no hydrogen 3.073 N/A LEU 121.A N ALA 117.A O no hydrogen 2.873 N/A ALA 122.A N LEU 118.A O no hydrogen 3.092 N/A SER 124.A N THR 120.A O no hydrogen 3.033 N/A SER 124.A OG THR 120.A O no hydrogen 3.454 N/A ILE 125.A N LEU 121.A O no hydrogen 2.886 N/A LEU 126.A N ALA 122.A O no hydrogen 3.238 N/A SER 127.A N PHE 123.A O no hydrogen 3.043 N/A SER 127.A OG PHE 123.A O no hydrogen 3.010 N/A SER 127.A OG SER 124.A O no hydrogen 3.497 N/A SER 127.A OG ASP 128.A OD2 no hydrogen 3.457 N/A ASP 128.A N SER 124.A O no hydrogen 2.991 N/A ASP 128.A N ILE 125.A O no hydrogen 3.261 N/A ALA 129.A N ILE 125.A O no hydrogen 2.785 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 3.272 N/A VAL 134.A N MET 131.A O no hydrogen 3.046 N/A ASP 138.A N SER 135.A OG no hydrogen 3.146 N/A ARG 139.A N SER 135.A O no hydrogen 2.910 N/A ARG 139.A NH1 ALA 129.A O no hydrogen 3.017 N/A ARG 139.A NH2 LEU 126.A O no hydrogen 2.921 N/A ARG 139.A NH2 ALA 129.A O no hydrogen 2.772 N/A ILE 140.A N ASP 136.A O no hydrogen 2.920 N/A SER 141.A N ARG 137.A O no hydrogen 2.996 N/A SER 141.A OG ARG 137.A O no hydrogen 3.012 N/A MET 142.A N ASP 138.A O no hydrogen 2.823 N/A ILE 143.A N ARG 139.A O no hydrogen 3.026 N/A SER 144.A N ILE 140.A O no hydrogen 2.807 N/A GLU 145.A N SER 141.A O no hydrogen 3.007 N/A LEU 146.A N MET 142.A O no hydrogen 2.966 N/A ALA 147.A N ILE 143.A O no hydrogen 2.900 N/A SER 148.A N SER 144.A O no hydrogen 3.003 N/A SER 148.A OG SER 144.A O no hydrogen 3.214 N/A SER 148.A OG GLU 145.A O no hydrogen 3.355 N/A ALA 149.A N GLU 145.A O no hydrogen 3.009 N/A SER 150.A N ALA 147.A O no hydrogen 3.145 N/A SER 150.A OG LEU 146.A O no hydrogen 2.553 N/A GLY 151.A N ALA 147.A O no hydrogen 3.086 N/A GLY 154.A N GLY 151.A O no hydrogen 2.931 N/A MET 155.A N ALA 149.A O no hydrogen 2.885 N/A CYS 156.A N SER 150.A O no hydrogen 3.202 N/A CYS 156.A SG.B TYR 80.A OH no hydrogen 3.415 N/A CYS 156.A SG.B SER 150.A O no hydrogen 3.602 N/A GLY 157.A N GLY 151.A O no hydrogen 3.272 N/A GLY 158.A N GLY 154.A O no hydrogen 2.928 N/A GLN 159.A N MET 155.A O no hydrogen 2.906 N/A GLN 159.A NE2 ASP 85.A OD2 no hydrogen 2.896 N/A ALA 160.A N CYS 156.A O no hydrogen 3.078 N/A LEU 161.A N GLY 157.A O no hydrogen 3.106 N/A ASP 162.A N GLY 158.A O no hydrogen 3.071 N/A LEU 163.A N GLN 159.A O no hydrogen 2.934 N/A ASP 164.A N ALA 160.A O no hydrogen 3.023 N/A ALA 165.A N LEU 161.A O no hydrogen 2.817 N/A GLU 166.A N LEU 163.A O no hydrogen 3.343 N/A GLY 167.A N GLY 247.A O no hydrogen 2.841 N/A LYS 168.A N ALA 165.A O no hydrogen 3.150 N/A LYS 168.A NZ ASP 164.A O no hydrogen 2.807 N/A VAL 170.A N SER 249.A OG no hydrogen 3.324 N/A ALA 174.A N PRO 171.A O no hydrogen 3.227 N/A LEU 175.A N PRO 171.A O no hydrogen 3.052 N/A GLU 176.A N LEU 172.A O no hydrogen 2.914 N/A ARG 177.A N ASP 173.A O no hydrogen 3.200 N/A ILE 178.A N ALA 174.A O no hydrogen 3.138 N/A HIS 179.A N LEU 175.A O no hydrogen 3.080 N/A HIS 179.A NE2 ASP 225.A OD2 no hydrogen 2.556 N/A ARG 180.A N GLU 176.A O no hydrogen 2.888 N/A ARG 180.A NE GLU 176.A OE1 no hydrogen 2.977 N/A ARG 180.A NH1 GLU 214.A O no hydrogen 3.115 N/A HIS 181.A N ARG 177.A O no hydrogen 3.293 N/A HIS 181.A ND1 ARG 177.A O no hydrogen 3.089 N/A LYS 182.A N ILE 178.A O no hydrogen 3.002 N/A LYS 182.A NZ ASP 162.A OD1 no hydrogen 2.987 N/A THR 183.A N HIS 179.A O no hydrogen 3.162 N/A THR 183.A OG1 GLN 221.A OE1 no hydrogen 2.641 N/A GLY 184.A N HIS 179.A O no hydrogen 3.105 N/A ILE 187.A N THR 183.A O no hydrogen 3.437 N/A ARG 188.A N GLY 184.A O no hydrogen 2.877 N/A ARG 188.A NE.B GLU 145.A OE2 no hydrogen 3.128 N/A ARG 188.A NH2.A GLU 214.A OE1 no hydrogen 2.779 N/A ARG 188.A NH2.B GLU 145.A OE2 no hydrogen 2.704 N/A ALA 189.A N ALA 185.A O no hydrogen 2.918 N/A ALA 190.A N LEU 186.A O no hydrogen 2.968 N/A VAL 191.A N ILE 187.A O no hydrogen 3.154 N/A ARG 192.A N ARG 188.A O no hydrogen 2.786 N/A ARG 192.A NE ASP 210.A OD1 no hydrogen 3.025 N/A ARG 192.A NE ASP 210.A OD2 no hydrogen 3.382 N/A ARG 192.A NH1 GLU 145.A OE1 no hydrogen 2.851 N/A ARG 192.A NH1 GLU 145.A OE2 no hydrogen 3.536 N/A ARG 192.A NH2 ASP 210.A OD2 no hydrogen 2.873 N/A LEU 193.A N ALA 189.A O no hydrogen 2.788 N/A GLY 194.A N ALA 190.A O no hydrogen 3.109 N/A ALA 195.A N VAL 191.A O no hydrogen 3.098 N/A LEU 196.A N ARG 192.A O no hydrogen 2.863 N/A SER 197.A N LEU 193.A O no hydrogen 3.236 N/A SER 197.A OG.B GLY 194.A O no hydrogen 2.613 N/A SER 197.A OG.C LEU 193.A O no hydrogen 2.648 N/A SER 197.A OG.C GLY 194.A O no hydrogen 3.520 N/A ALA 198.A N ALA 195.A O no hydrogen 2.983 N/A GLY 199.A N LEU 196.A O no hydrogen 3.339 N/A ARG 203.A N GLY 199.A O no hydrogen 3.076 N/A ARG 203.A NE ASP 138.A OD1 no hydrogen 3.356 N/A ARG 203.A NH2 ASP 138.A OD1 no hydrogen 3.007 N/A ARG 203.A NH2 SER 141.A OG no hydrogen 2.926 N/A ARG 204.A N ASP 200.A O no hydrogen 3.124 N/A ALA 205.A N GLY 202.A O no hydrogen 3.175 N/A LEU 206.A N ARG 203.A O no hydrogen 3.094 N/A LEU 209.A N ALA 205.A O no hydrogen 2.897 N/A ASP 210.A N LEU 206.A O no hydrogen 2.727 N/A LYS 211.A N PRO 207.A O no hydrogen 3.398 N/A TYR 212.A N VAL 208.A O no hydrogen 3.026 N/A TYR 212.A OH LEU 288.A O no hydrogen 2.722 N/A ALA 213.A N LEU 209.A O no hydrogen 2.857 N/A GLU 214.A N ASP 210.A O no hydrogen 2.700 N/A SER 215.A N LYS 211.A O no hydrogen 3.120 N/A SER 215.A OG ASP 270.A OD2 no hydrogen 2.870 N/A ILE 216.A N TYR 212.A O no hydrogen 2.955 N/A GLY 217.A N ALA 213.A O no hydrogen 2.778 N/A LEU 218.A N GLU 214.A O no hydrogen 3.227 N/A ALA 219.A N SER 215.A O no hydrogen 3.037 N/A PHE 220.A N ILE 216.A O no hydrogen 2.814 N/A GLN 221.A NE2 ASP 224.A OD2 no hydrogen 3.128 N/A GLN 221.A NE2 ASP 225.A OD1 no hydrogen 2.940 N/A VAL 222.A N LEU 218.A O no hydrogen 3.152 N/A GLN 223.A N ALA 219.A O no hydrogen 2.958 N/A GLN 223.A NE2 ARG 298.A O no hydrogen 3.217 N/A ASP 224.A N PHE 220.A O no hydrogen 2.994 N/A ASP 225.A N GLN 221.A O no hydrogen 2.930 N/A ILE 226.A N VAL 222.A O no hydrogen 2.910 N/A LEU 227.A N GLN 223.A O no hydrogen 2.870 N/A ASP 228.A N ASP 224.A O no hydrogen 3.148 N/A VAL 229.A N ASP 225.A O no hydrogen 3.396 N/A VAL 229.A N ILE 226.A O no hydrogen 3.162 N/A VAL 230.A N ILE 226.A O no hydrogen 3.097 N/A GLY 231.A N LEU 227.A O no hydrogen 2.836 N/A ALA 234.A N ASP 232.A OD2 no hydrogen 3.439 N/A THR 235.A N ASP 232.A O no hydrogen 3.118 N/A LEU 236.A N ASP 232.A O no hydrogen 2.905 N/A GLY 237.A N THR 233.A O no hydrogen 2.868 N/A LYS 238.A NZ ASP 224.A OD1 no hydrogen 2.905 N/A ARG 239.A NE ASP 94.A OD2 no hydrogen 2.842 N/A ARG 239.A NH2 ASP 94.A OD1 no hydrogen 2.963 N/A GLN 240.A N THR 233.A OG1 no hydrogen 3.256 N/A GLY 241.A N ASP 228.A O no hydrogen 2.960 N/A ASP 243.A N ASP 228.A OD1 no hydrogen 3.038 N/A GLN 245.A N GLY 241.A O no hydrogen 3.085 N/A LEU 246.A N ALA 242.A O no hydrogen 3.298 N/A LEU 246.A N ASP 243.A O no hydrogen 3.194 N/A LYS 248.A N ASP 243.A O no hydrogen 3.169 N/A LYS 248.A NZ ASP 91.A OD2 no hydrogen 2.665 N/A LYS 248.A NZ ASP 162.A OD2 no hydrogen 2.479 N/A LYS 248.A NZ GLU 166.A OE2 no hydrogen 3.233 N/A SER 249.A OG ALA 165.A O no hydrogen 2.991 N/A TYR 251.A N ASP 225.A OD2 no hydrogen 3.174 N/A ALA 253.A N THR 250.A OG1 no hydrogen 3.106 N/A LEU 254.A N THR 250.A O no hydrogen 3.163 N/A LEU 255.A N TYR 251.A O no hydrogen 2.792 N/A GLY 256.A N PRO 252.A O no hydrogen 2.888 N/A ALA 260.A N GLY 256.A O no hydrogen 3.189 N/A ARG 261.A N LEU 257.A O no hydrogen 2.918 N/A LYS 262.A N GLU 258.A O no hydrogen 3.021 N/A LYS 263.A N GLN 259.A O no hydrogen 3.031 N/A ALA 264.A N ALA 260.A O no hydrogen 3.000 N/A ARG 265.A N ARG 261.A O no hydrogen 3.002 N/A ASP 266.A N LYS 262.A O no hydrogen 2.951 N/A LEU 267.A N LYS 263.A O no hydrogen 3.078 N/A ILE 268.A N ALA 264.A O no hydrogen 3.150 N/A ASP 269.A N ARG 265.A O no hydrogen 2.953 N/A ASP 270.A N ASP 266.A O no hydrogen 3.100 N/A ALA 271.A N LEU 267.A O no hydrogen 2.895 N/A ARG 272.A N ILE 268.A O no hydrogen 2.847 N/A GLN 273.A N ASP 269.A O no hydrogen 3.035 N/A SER 274.A N ASP 270.A O no hydrogen 3.039 N/A SER 274.A OG ASP 270.A O no hydrogen 3.385 N/A LEU 275.A N ALA 271.A O no hydrogen 3.283 N/A LYS 276.A N ARG 272.A O no hydrogen 3.178 N/A LYS 276.A N GLN 273.A O no hydrogen 3.343 N/A GLN 277.A NE2 GLN 273.A O no hydrogen 3.389 N/A ALA 279.A N LEU 275.A O no hydrogen 3.029 N/A GLU 280.A N LYS 276.A O no hydrogen 3.118 N/A GLN 281.A N LEU 278.A O no hydrogen 3.269 N/A GLN 281.A NE2 GLN 277.A O no hydrogen 3.495 N/A SER 282.A N ALA 279.A O no hydrogen 3.179 N/A LEU 283.A N LEU 278.A O no hydrogen 3.368 N/A THR 285.A OG1 GLU 289.A OE2 no hydrogen 3.456 N/A SER 286.A N ASP 284.A OD1 no hydrogen 3.134 N/A SER 286.A OG ASP 284.A OD1 no hydrogen 2.950 N/A GLU 289.A N THR 285.A O no hydrogen 2.866 N/A ALA 290.A N SER 286.A O no hydrogen 2.948 N/A LEU 291.A N ALA 287.A O no hydrogen 3.049 N/A ALA 292.A N LEU 288.A O no hydrogen 3.059 N/A ASP 293.A N GLU 289.A O no hydrogen 3.191 N/A TYR 294.A N ALA 290.A O no hydrogen 2.959 N/A ILE 295.A N LEU 291.A O no hydrogen 2.907 N/A ILE 296.A N ASP 293.A O no hydrogen 3.160 N/A GLN 297.A N ASP 293.A O no hydrogen 3.069 N/A ARG 298.A N TYR 294.A O no hydrogen 3.010 N/A ARG 298.A NE ILE 295.A O no hydrogen 3.076 N/A ARG 298.A NH2 LYS 300.A OXT no hydrogen 2.758 N/A