Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pxj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 5.A OE2 no hydrogen 2.433 N/A SER 4.A OG THR 343.A OG1 no hydrogen 2.906 N/A ASN 8.A ND2 ARG 12.A O no hydrogen 3.349 N/A ASN 8.A ND2 GLY 37.A O no hydrogen 2.599 N/A ALA 11.A N ASN 8.A O no hydrogen 2.891 N/A ARG 12.A N ASN 8.A OD1 no hydrogen 3.260 N/A ILE 13.A N ASP 257.A OD2 no hydrogen 2.866 N/A PHE 16.A N LYS 45.A O no hydrogen 2.938 N/A THR 19.A N GLU 22.A OE2 no hydrogen 2.936 N/A THR 19.A OG1 GLU 22.A OE2 no hydrogen 2.886 N/A GLU 22.A N THR 19.A OG1 no hydrogen 3.255 N/A PHE 23.A N THR 19.A O no hydrogen 2.843 N/A ARG 24.A N MET 20.A O no hydrogen 3.203 N/A SER 27.A OG ASN 25.A OD1 no hydrogen 3.238 N/A ARG 28.A N ASN 25.A OD1 no hydrogen 3.145 N/A TYR 29.A N ASN 25.A O no hydrogen 2.984 N/A ILE 30.A N PHE 26.A O no hydrogen 3.084 N/A ALA 31.A N SER 27.A O no hydrogen 3.216 N/A TYR 32.A N ARG 28.A O no hydrogen 2.953 N/A ILE 33.A N TYR 29.A O no hydrogen 2.917 N/A GLU 34.A N ILE 30.A O no hydrogen 3.035 N/A SER 35.A N ALA 31.A O no hydrogen 2.985 N/A SER 35.A OG TYR 32.A O no hydrogen 2.402 N/A SER 35.A OG GLN 36.A OE1 no hydrogen 3.371 N/A GLN 36.A N TYR 32.A O no hydrogen 3.123 N/A GLN 36.A N ILE 33.A O no hydrogen 3.032 N/A GLY 37.A N GLU 34.A O no hydrogen 2.849 N/A ALA 38.A N ILE 33.A O no hydrogen 3.026 N/A HIS 39.A NE2 THR 343.A O no hydrogen 2.802 N/A ARG 40.A N GLY 37.A O no hydrogen 3.216 N/A ARG 40.A NE GLU 213.A OE2 no hydrogen 3.542 N/A ARG 40.A NH1 GLU 5.A O no hydrogen 3.558 N/A ALA 41.A N ALA 38.A O no hydrogen 3.364 N/A GLY 42.A N HIS 39.A O no hydrogen 2.995 N/A ALA 44.A N ILE 268.A O no hydrogen 2.888 N/A LYS 45.A N MET 14.A O no hydrogen 3.012 N/A LYS 45.A NZ THR 260.A O no hydrogen 2.617 N/A LYS 45.A NZ GLU 265.A OE2 no hydrogen 3.054 N/A VAL 46.A N PHE 266.A O no hydrogen 2.855 N/A VAL 47.A N PHE 16.A O no hydrogen 2.920 N/A TRP 52.A N PRO 49.A O no hydrogen 2.753 N/A TRP 52.A NE1 GLU 146.A OE1 no hydrogen 2.935 N/A ARG 55.A NE LEU 139.A O no hydrogen 2.807 N/A ARG 55.A NH2 LEU 139.A O no hydrogen 3.470 N/A SER 57.A OG ASP 59.A OD1 no hydrogen 3.131 N/A SER 57.A OG ASP 59.A OD2 no hydrogen 2.856 N/A TYR 58.A OH HIS 200.A ND1 no hydrogen 2.704 N/A LEU 64.A N ILE 61.A O no hydrogen 3.115 N/A ILE 66.A N MET 91.A O no hydrogen 2.796 N/A ILE 70.A N TYR 131.A O no hydrogen 2.985 N/A GLN 71.A N ILE 86.A O no hydrogen 2.588 N/A GLN 71.A NE2 PRO 128.A O no hydrogen 3.290 N/A GLN 72.A N PRO 129.A O no hydrogen 2.972 N/A GLN 72.A NE2 SER 183.A O no hydrogen 2.907 N/A LEU 73.A N TYR 84.A O no hydrogen 3.031 N/A THR 75.A N THR 82.A O no hydrogen 3.077 N/A GLN 77.A N LEU 80.A O no hydrogen 3.213 N/A LEU 80.A N GLN 77.A O no hydrogen 3.165 N/A PHE 81.A N LEU 243.A O no hydrogen 2.954 N/A THR 82.A N THR 75.A O no hydrogen 2.910 N/A GLN 83.A N MET 241.A O no hydrogen 2.615 N/A GLN 83.A NE2 SER 183.A OG no hydrogen 3.289 N/A TYR 84.A N LEU 73.A O no hydrogen 2.768 N/A ILE 86.A N GLN 71.A O no hydrogen 2.920 N/A LYS 88.A N PRO 69.A O no hydrogen 2.877 N/A MET 91.A N ILE 66.A O no hydrogen 3.195 N/A THR 92.A N GLU 95.A OE1 no hydrogen 2.718 N/A THR 92.A OG1 GLU 95.A OE1 no hydrogen 3.333 N/A VAL 93.A N LEU 64.A O no hydrogen 3.227 N/A ARG 94.A N ASP 62.A O no hydrogen 3.267 N/A GLU 95.A N THR 92.A OG1 no hydrogen 3.218 N/A PHE 96.A N THR 92.A O no hydrogen 3.006 N/A ARG 97.A N VAL 93.A O no hydrogen 2.625 N/A ARG 97.A NH1 ASP 62.A OD1 no hydrogen 3.529 N/A LYS 98.A N ARG 94.A O no hydrogen 2.806 N/A ILE 99.A N GLU 95.A O no hydrogen 3.188 N/A ALA 100.A N PHE 96.A O no hydrogen 2.779 N/A ASN 101.A N ARG 97.A O no hydrogen 2.866 N/A SER 102.A N LYS 98.A O no hydrogen 2.952 N/A SER 102.A OG ILE 99.A O no hydrogen 2.832 N/A LYS 104.A NZ ASN 127.A OD1 no hydrogen 3.508 N/A TYR 105.A N SER 102.A OG no hydrogen 3.340 N/A CYS 106.A SG THR 107.A O no hydrogen 2.987 N/A THR 107.A OG1 HIS 280.A O no hydrogen 2.728 N/A SER 111.A N GLU 115.A OE1 no hydrogen 2.438 N/A GLU 115.A N GLU 112.A O no hydrogen 2.668 N/A LEU 116.A N GLU 112.A O no hydrogen 3.341 N/A GLU 117.A N PHE 113.A O no hydrogen 2.767 N/A ARG 118.A N GLU 114.A O no hydrogen 3.170 N/A LYS 119.A N GLU 115.A O no hydrogen 3.052 N/A LYS 119.A NZ ARG 109.A O no hydrogen 3.362 N/A TYR 120.A N LEU 116.A O no hydrogen 3.052 N/A TYR 120.A OH SER 183.A OG no hydrogen 2.923 N/A TRP 121.A N GLU 117.A O no hydrogen 3.209 N/A TRP 121.A NE1 TYR 208.A OH no hydrogen 2.892 N/A LYS 122.A N ARG 118.A O no hydrogen 3.042 N/A LYS 122.A N LYS 119.A O no hydrogen 3.234 N/A ASN 123.A N LYS 119.A O no hydrogen 2.914 N/A PHE 126.A N ASN 123.A O no hydrogen 2.949 N/A TYR 131.A N ILE 70.A O no hydrogen 2.816 N/A GLY 132.A N PHE 177.A O no hydrogen 2.824 N/A VAL 135.A N LEU 175.A O no hydrogen 2.939 N/A GLY 137.A N PRO 173.A O no hydrogen 3.328 N/A THR 138.A OG1 GLU 286.A OE1 no hydrogen 2.673 N/A THR 138.A OG1 GLU 286.A OE2 no hydrogen 3.456 N/A LEU 139.A N GLU 286.A OE2 no hydrogen 3.085 N/A TYR 140.A N THR 138.A OG1 no hydrogen 3.035 N/A TYR 140.A OH TRP 147.A O no hydrogen 2.877 N/A GLU 141.A N PRO 54.A O no hydrogen 2.722 N/A VAL 144.A N GLU 141.A O no hydrogen 2.970 N/A ASN 148.A ND2 VAL 144.A O no hydrogen 2.757 N/A GLY 150.A N ASN 148.A OD1 no hydrogen 2.826 N/A ARG 151.A N ASN 148.A O no hydrogen 2.767 N/A ARG 151.A NH1 LYS 142.A O no hydrogen 3.520 N/A ARG 151.A NH2 LYS 142.A O no hydrogen 3.282 N/A ARG 151.A NH2 ASP 145.A OD1 no hydrogen 2.495 N/A LEU 156.A N THR 154.A OG1 no hydrogen 3.309 N/A ASP 157.A N THR 154.A O no hydrogen 3.018 N/A LEU 158.A N ILE 155.A O no hydrogen 3.053 N/A VAL 159.A N LEU 156.A O no hydrogen 3.073 N/A LYS 161.A N ASP 157.A O no hydrogen 2.928 N/A GLU 162.A N LEU 158.A O no hydrogen 2.934 N/A SER 163.A N VAL 159.A O no hydrogen 3.096 N/A SER 163.A N GLU 160.A O no hydrogen 3.225 N/A SER 163.A OG VAL 159.A O no hydrogen 2.604 N/A GLY 164.A N GLU 160.A O no hydrogen 2.557 N/A ILE 165.A N SER 163.A OG no hydrogen 3.252 N/A ILE 167.A N ASN 171.A OD1 no hydrogen 2.779 N/A GLY 169.A N THR 172.A OG1 no hydrogen 2.727 N/A VAL 170.A N ILE 167.A O no hydrogen 2.808 N/A ASN 171.A N ILE 167.A O no hydrogen 3.077 N/A ASN 171.A ND2 ILE 165.A O no hydrogen 3.263 N/A TYR 174.A N SER 287.A O no hydrogen 2.906 N/A LEU 175.A N VAL 135.A O no hydrogen 2.692 N/A TYR 176.A N ALA 285.A O no hydrogen 2.600 N/A TYR 176.A OH ASP 134.A OD1 no hydrogen 2.751 N/A PHE 177.A N GLY 132.A O no hydrogen 2.837 N/A GLY 178.A N ASN 283.A O no hydrogen 3.167 N/A GLY 178.A N ASN 283.A OD1 no hydrogen 3.234 N/A LYS 181.A N ASN 279.A O no hydrogen 3.269 N/A LYS 181.A NZ ASN 123.A O no hydrogen 3.338 N/A LYS 181.A NZ PHE 126.A O no hydrogen 2.604 N/A THR 182.A N MET 179.A O no hydrogen 3.265 N/A THR 182.A OG1 MET 179.A O no hydrogen 2.931 N/A SER 183.A N GLN 72.A OE1 no hydrogen 2.826 N/A SER 183.A OG TYR 120.A OH no hydrogen 2.923 N/A PHE 184.A N GLY 277.A O no hydrogen 3.070 N/A TRP 186.A N THR 242.A O no hydrogen 2.981 N/A TRP 186.A NE1 ILE 244.A O no hydrogen 2.878 N/A HIS 187.A N HIS 275.A O no hydrogen 3.085 N/A HIS 187.A ND1 ALA 185.A O no hydrogen 2.845 N/A THR 188.A OG1 GLU 189.A O no hydrogen 3.526 N/A THR 188.A OG1 ASP 192.A OD1 no hydrogen 2.908 N/A ASP 192.A N GLU 189.A O no hydrogen 2.875 N/A LEU 193.A N ASP 190.A O no hydrogen 3.252 N/A TYR 194.A N PHE 290.A O no hydrogen 3.086 N/A TYR 194.A OH GLU 34.A OE1 no hydrogen 3.329 N/A TYR 194.A OH GLU 34.A OE2 no hydrogen 2.739 N/A TYR 194.A OH THR 292.A OG1 no hydrogen 2.799 N/A SER 195.A N THR 269.A O no hydrogen 3.138 N/A SER 195.A OG GLU 189.A OE1 no hydrogen 3.474 N/A SER 195.A OG THR 269.A OG1 no hydrogen 2.366 N/A ILE 196.A N THR 288.A O no hydrogen 3.018 N/A ASN 197.A N MET 267.A O no hydrogen 2.705 N/A TYR 198.A N GLU 286.A O no hydrogen 2.967 N/A LEU 199.A N GLU 265.A O no hydrogen 3.198 N/A HIS 200.A ND1 TYR 58.A OH no hydrogen 2.704 N/A HIS 200.A NE2 GLU 286.A OE2 no hydrogen 2.754 N/A PHE 201.A N CYS 284.A O no hydrogen 3.465 N/A GLU 203.A N PHE 282.A O no hydrogen 2.660 N/A LYS 205.A N GLN 261.A O no hydrogen 2.985 N/A LYS 205.A NZ ASN 279.A OD1 no hydrogen 2.764 N/A SER 206.A N PHE 278.A O no hydrogen 2.997 N/A SER 206.A OG THR 260.A OG1 no hydrogen 2.819 N/A TRP 207.A N VAL 259.A O no hydrogen 2.623 N/A TYR 208.A N ALA 276.A O no hydrogen 2.698 N/A TYR 208.A OH GLU 117.A OE2 no hydrogen 2.453 N/A SER 209.A N ASP 257.A O no hydrogen 2.920 N/A SER 209.A OG ALA 41.A O no hydrogen 2.931 N/A VAL 210.A N TYR 274.A O no hydrogen 2.854 N/A HIS 214.A N PRO 211.A O no hydrogen 2.684 N/A GLY 215.A N PRO 212.A O no hydrogen 3.012 N/A LYS 216.A NZ GLU 219.A OE1 no hydrogen 2.901 N/A LYS 216.A NZ TYR 272.A OH no hydrogen 3.318 N/A ARG 217.A N HIS 214.A O no hydrogen 3.024 N/A ARG 217.A NH2 HIS 214.A ND1 no hydrogen 3.168 N/A LEU 218.A N HIS 214.A O no hydrogen 3.424 N/A GLU 219.A N GLY 215.A O no hydrogen 3.135 N/A ARG 220.A N LYS 216.A O no hydrogen 3.019 N/A LEU 221.A N ARG 217.A O no hydrogen 3.152 N/A ALA 222.A N LEU 218.A O no hydrogen 2.937 N/A LYS 223.A N GLU 219.A O no hydrogen 2.859 N/A LYS 223.A NZ GLU 234.A O no hydrogen 2.521 N/A GLY 224.A N ARG 220.A O no hydrogen 3.105 N/A PHE 225.A N LEU 221.A O no hydrogen 3.019 N/A PHE 226.A N ALA 222.A O no hydrogen 2.952 N/A ALA 230.A N PHE 226.A O no hydrogen 2.978 N/A GLN 231.A N PRO 227.A O no hydrogen 3.094 N/A SER 232.A N SER 229.A O no hydrogen 3.268 N/A SER 232.A OG SER 229.A O no hydrogen 3.284 N/A CYS 233.A N SER 229.A O no hydrogen 3.147 N/A CYS 233.A SG GLU 234.A OE1 no hydrogen 3.214 N/A CYS 233.A SG HIS 239.A NE2 no hydrogen 3.608 N/A ALA 235.A N GLU 234.A OE1 no hydrogen 2.703 N/A ARG 238.A N ALA 235.A O no hydrogen 2.992 N/A ARG 238.A NE VAL 303.A O no hydrogen 2.794 N/A ARG 238.A NH1 GLU 189.A O no hydrogen 2.957 N/A ARG 238.A NH2 ASP 192.A OD1 no hydrogen 2.945 N/A ARG 238.A NH2 VAL 303.A O no hydrogen 3.125 N/A HIS 239.A N PHE 236.A O no hydrogen 2.911 N/A LYS 240.A N LEU 237.A O no hydrogen 2.929 N/A LEU 243.A N PHE 81.A O no hydrogen 2.973 N/A SER 245.A N GLY 79.A O no hydrogen 3.013 N/A MET 248.A N SER 245.A OG no hydrogen 3.327 N/A LEU 249.A N SER 245.A O no hydrogen 3.116 N/A LYS 250.A N PRO 246.A O no hydrogen 2.796 N/A LYS 251.A N LEU 247.A O no hydrogen 2.870 N/A TYR 252.A N MET 248.A O no hydrogen 3.153 N/A TYR 252.A N LEU 249.A O no hydrogen 3.128 N/A GLY 253.A N LYS 250.A O no hydrogen 3.099 N/A ILE 254.A N LEU 249.A O no hydrogen 3.046 N/A ASP 257.A N SER 209.A O no hydrogen 3.007 N/A LYS 258.A NZ GLU 117.A OE1 no hydrogen 3.274 N/A LYS 258.A NZ GLU 117.A OE2 no hydrogen 2.886 N/A VAL 259.A N TRP 207.A O no hydrogen 2.962 N/A THR 260.A OG1 SER 206.A OG no hydrogen 2.819 N/A GLN 261.A N LYS 205.A O no hydrogen 2.649 N/A GLN 261.A NE2 ASN 197.A OD1 no hydrogen 3.672 N/A GLU 262.A N GLU 265.A OE2 no hydrogen 2.754 N/A GLY 264.A N LEU 199.A O no hydrogen 2.711 N/A GLU 265.A N GLU 262.A O no hydrogen 3.069 N/A PHE 266.A N VAL 46.A O no hydrogen 3.070 N/A MET 267.A N ASN 197.A O no hydrogen 2.699 N/A ILE 268.A N ALA 44.A O no hydrogen 2.877 N/A THR 269.A N SER 195.A O no hydrogen 3.034 N/A THR 269.A OG1 SER 195.A OG no hydrogen 2.366 N/A PHE 270.A N GLY 42.A O no hydrogen 2.956 N/A GLY 273.A N PHE 270.A O no hydrogen 2.824 N/A TYR 274.A OH GLU 219.A OE2 no hydrogen 2.437 N/A HIS 275.A N HIS 187.A O no hydrogen 3.056 N/A HIS 275.A ND1 GLY 273.A O no hydrogen 2.912 N/A ALA 276.A N TYR 208.A O no hydrogen 3.095 N/A GLY 277.A N PHE 184.A O no hydrogen 2.990 N/A PHE 278.A N SER 206.A O no hydrogen 3.214 N/A ASN 279.A N THR 182.A O no hydrogen 2.898 N/A ASN 279.A ND2 TYR 131.A OH no hydrogen 3.304 N/A ASN 279.A ND2 THR 182.A OG1 no hydrogen 2.775 N/A HIS 280.A N PRO 204.A O no hydrogen 2.848 N/A ASN 283.A N GLY 178.A O no hydrogen 3.086 N/A ASN 283.A ND2 GLU 203.A O no hydrogen 3.113 N/A ASN 283.A ND2 PRO 204.A O no hydrogen 3.675 N/A ASN 283.A ND2 ASN 279.A OD1 no hydrogen 3.018 N/A CYS 284.A N PHE 201.A O no hydrogen 2.819 N/A ALA 285.A N TYR 176.A O no hydrogen 2.829 N/A GLU 286.A N TYR 198.A O no hydrogen 2.898 N/A SER 287.A N TYR 174.A O no hydrogen 2.778 N/A THR 288.A N ILE 196.A O no hydrogen 3.387 N/A THR 288.A OG1 VAL 170.A O no hydrogen 3.027 N/A THR 288.A OG1 THR 172.A O no hydrogen 3.018 N/A ASN 289.A N VAL 170.A O no hydrogen 3.065 N/A ASN 289.A ND2 GLU 189.A OE2 no hydrogen 2.778 N/A ASN 289.A ND2 TYR 194.A O no hydrogen 3.179 N/A PHE 290.A N TYR 194.A O no hydrogen 3.059 N/A ALA 291.A N THR 154.A OG1 no hydrogen 3.293 N/A THR 292.A OG1 TYR 194.A OH no hydrogen 2.799 N/A ARG 294.A NE GLU 34.A OE1 no hydrogen 2.929 N/A ARG 294.A NE GLU 34.A OE2 no hydrogen 3.300 N/A ARG 294.A NH1 TYR 298.A OH no hydrogen 3.325 N/A ARG 294.A NH2 GLU 34.A OE2 no hydrogen 2.812 N/A TRP 295.A N THR 292.A O no hydrogen 2.954 N/A TRP 295.A NE1 MET 191.A O no hydrogen 2.883 N/A ILE 296.A N ARG 293.A O no hydrogen 3.240 N/A TYR 298.A OH HIS 342.A ND1 no hydrogen 2.897 N/A GLY 299.A N TRP 295.A O no hydrogen 2.891 N/A LYS 300.A N ILE 296.A O no hydrogen 3.007 N/A LYS 300.A NZ GLU 297.A OE2 no hydrogen 2.562 N/A LYS 300.A NZ GLN 324.A OE1 no hydrogen 2.678 N/A LYS 300.A NZ ASP 336.A OD2 no hydrogen 2.854 N/A GLN 301.A N GLU 297.A O no hydrogen 3.185 N/A GLN 301.A N TYR 298.A O no hydrogen 3.125 N/A GLN 301.A NE2 GLU 297.A OE1 no hydrogen 2.720 N/A GLN 301.A NE2 THR 338.A O no hydrogen 2.979 N/A CYS 305.A SG HIS 239.A NE2 no hydrogen 3.830 N/A CYS 307.A SG HIS 239.A NE2 no hydrogen 3.210 N/A PHE 319.A N MET 316.A O no hydrogen 2.853 N/A VAL 320.A N MET 316.A O no hydrogen 3.143 N/A ARG 321.A N ASP 317.A O no hydrogen 3.023 N/A ARG 321.A NH2 TYR 328.A OH no hydrogen 2.951 N/A LYS 322.A N VAL 318.A O no hydrogen 3.321 N/A PHE 323.A N PHE 319.A O no hydrogen 2.783 N/A GLN 324.A N VAL 320.A O no hydrogen 2.570 N/A GLN 324.A NE2 GLU 297.A OE2 no hydrogen 3.202 N/A ARG 327.A N GLN 324.A O no hydrogen 2.838 N/A ARG 327.A NH1 ASP 336.A OD1 no hydrogen 2.866 N/A ARG 327.A NH1 THR 338.A OG1 no hydrogen 3.304 N/A ARG 327.A NH2 THR 338.A OG1 no hydrogen 2.625 N/A TYR 328.A N GLN 324.A O no hydrogen 3.063 N/A TYR 328.A N PRO 325.A O no hydrogen 3.362 N/A TYR 328.A OH ASP 317.A OD1 no hydrogen 2.960 N/A TYR 328.A OH ASP 317.A OD2 no hydrogen 2.550 N/A TRP 331.A N ARG 327.A O no hydrogen 2.721 N/A LYS 332.A N TYR 328.A O no hydrogen 2.955 N/A LYS 332.A NZ ASP 317.A OD2 no hydrogen 2.743 N/A ALA 333.A N LYS 329.A O no hydrogen 3.224 N/A ALA 333.A N LEU 330.A O no hydrogen 3.063 N/A GLY 334.A N TRP 331.A O no hydrogen 2.767 N/A LYS 335.A N LEU 330.A O no hydrogen 2.973 N/A THR 338.A OG1 ASP 336.A OD1 no hydrogen 2.476 N/A HIS 342.A ND1 TYR 298.A OH no hydrogen 2.897 N/A THR 343.A OG1 SER 4.A OG no hydrogen 2.906 N/A THR 343.A OG1 ASP 341.A OD1 no hydrogen 2.686 N/A LEU 344.A N ASP 341.A OD1 no hydrogen 2.816 N/A