Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2va6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N PHE 1.A O no hydrogen 3.016 N/A VAL 5.A N PHE 1.A O no hydrogen 3.302 N/A ASP 6.A N SER 164.A OG no hydrogen 2.584 N/A ASN 7.A N MET 4.A O no hydrogen 3.222 N/A ASN 7.A ND2 HIS 91.A O no hydrogen 3.046 N/A ASN 7.A ND2 MET 165.A O no hydrogen 2.967 N/A LEU 8.A N GLY 163.A O no hydrogen 3.071 N/A ARG 9.A N TYR 17.A O no hydrogen 3.152 N/A GLY 10.A N VAL 161.A O no hydrogen 3.045 N/A TYR 16.A OH CYS 157.A O no hydrogen 2.990 N/A TYR 16.A OH GLU 330.A OE2 no hydrogen 2.264 N/A TYR 17.A N ARG 9.A O no hydrogen 3.047 N/A VAL 18.A N ILE 31.A O no hydrogen 2.854 N/A MET 20.A N LEU 29.A O no hydrogen 2.734 N/A THR 21.A N SER 88.A O no hydrogen 3.070 N/A THR 21.A OG1 SER 88.A O no hydrogen 3.485 N/A VAL 22.A N GLN 27.A O no hydrogen 2.758 N/A GLY 23.A N LEU 86.A O no hydrogen 2.913 N/A SER 24.A N SER 59.A OG no hydrogen 2.859 N/A SER 24.A OG THR 61.A OG1 no hydrogen 2.121 N/A GLN 27.A N VAL 22.A O no hydrogen 2.662 N/A GLN 27.A NE2 GLN 55.A O no hydrogen 2.871 N/A LEU 29.A N MET 20.A O no hydrogen 2.807 N/A ASN 30.A N GLU 118.A OE1 no hydrogen 2.809 N/A ASN 30.A ND2 ASN 116.A O no hydrogen 3.133 N/A ILE 31.A N VAL 18.A O no hydrogen 2.935 N/A LEU 32.A N GLY 119.A O no hydrogen 2.911 N/A VAL 33.A N TYR 16.A O no hydrogen 2.812 N/A ASP 34.A N LEU 121.A O no hydrogen 3.239 N/A THR 35.A N SER 220.A OG no hydrogen 3.030 N/A THR 35.A OG1 VAL 218.A O no hydrogen 2.826 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 2.884 N/A SER 37.A OG ASP 34.A OD2 no hydrogen 2.496 N/A SER 38.A OG TYR 125.A O no hydrogen 2.720 N/A ASN 39.A ND2 ARG 130.A O no hydrogen 3.063 N/A ALA 41.A N ILE 120.A O no hydrogen 3.092 N/A VAL 42.A N ALA 102.A O no hydrogen 2.921 N/A GLY 43.A N GLU 118.A O no hydrogen 2.873 N/A ALA 44.A N ILE 104.A O no hydrogen 3.061 N/A HIS 47.A N ALA 45.A O no hydrogen 2.793 N/A LEU 50.A N HIS 47.A O no hydrogen 3.144 N/A HIS 51.A NE2 SER 115.A O no hydrogen 3.015 N/A ARG 52.A NE GLU 118.A OE1 no hydrogen 3.183 N/A ARG 52.A NH2 ASN 116.A O no hydrogen 3.250 N/A TYR 54.A N GLY 43.A O no hydrogen 2.667 N/A TYR 54.A OH ASP 85.A OD2 no hydrogen 2.554 N/A GLN 55.A N GLN 27.A OE1 no hydrogen 2.740 N/A GLN 55.A NE2 GLN 57.A OE1 no hydrogen 3.468 N/A ARG 56.A NH1 TYR 62.A OH no hydrogen 3.480 N/A ARG 56.A NH1 GLU 81.A OE2 no hydrogen 2.526 N/A ARG 56.A NH2 GLU 81.A OE2 no hydrogen 2.819 N/A LEU 58.A N GLN 55.A O no hydrogen 3.013 N/A SER 59.A N ARG 56.A O no hydrogen 2.808 N/A SER 59.A OG THR 61.A OG1 no hydrogen 3.262 N/A SER 59.A OG ASP 85.A OD1 no hydrogen 3.243 N/A SER 59.A OG ASP 85.A OD2 no hydrogen 2.777 N/A SER 60.A N SER 24.A O no hydrogen 2.749 N/A SER 60.A OG SER 24.A O no hydrogen 3.173 N/A THR 61.A OG1 SER 24.A OG no hydrogen 2.121 N/A THR 61.A OG1 SER 59.A OG no hydrogen 3.262 N/A THR 61.A OG1 ASP 85.A OD1 no hydrogen 2.832 N/A ARG 63.A N THR 84.A O no hydrogen 2.954 N/A LEU 65.A N LEU 82.A O no hydrogen 3.008 N/A ARG 66.A N ASP 64.A OD1 no hydrogen 2.646 N/A VAL 69.A N GLY 80.A O no hydrogen 3.116 N/A VAL 71.A N TRP 78.A O no hydrogen 2.715 N/A TYR 73.A N GLY 76.A O no hydrogen 3.026 N/A LYS 77.A N ASP 108.A O no hydrogen 2.901 N/A LYS 77.A NZ GLU 106.A OE2 no hydrogen 2.754 N/A TRP 78.A N VAL 71.A O no hydrogen 2.903 N/A TRP 78.A NE1 TYR 73.A OH no hydrogen 2.987 N/A GLY 80.A N VAL 69.A O no hydrogen 2.968 N/A GLU 81.A N ALA 103.A O no hydrogen 2.934 N/A LEU 82.A N LYS 67.A O no hydrogen 2.817 N/A GLY 83.A N ILE 101.A O no hydrogen 3.132 N/A THR 84.A N ARG 63.A O no hydrogen 3.003 N/A ASP 85.A N ALA 99.A O no hydrogen 3.144 N/A LEU 86.A N ASP 85.A OD1 no hydrogen 2.632 N/A VAL 87.A N VAL 97.A O no hydrogen 2.710 N/A SER 88.A N THR 21.A O no hydrogen 3.002 N/A SER 88.A OG VAL 95.A O no hydrogen 3.134 N/A GLY 92.A N ILE 89.A O no hydrogen 2.595 N/A THR 96.A OG1 VAL 95.A O no hydrogen 2.883 N/A VAL 97.A N VAL 87.A O no hydrogen 2.707 N/A ARG 98.A NH1 THR 61.A O no hydrogen 3.024 N/A ARG 98.A NH1 THR 84.A OG1 no hydrogen 2.875 N/A ARG 98.A NH2 THR 61.A O no hydrogen 2.811 N/A ALA 99.A N ASP 85.A O no hydrogen 3.078 N/A ASN 100.A ND2 GLU 136.A O no hydrogen 2.994 N/A ILE 101.A N GLY 83.A O no hydrogen 3.033 N/A ALA 102.A N PHE 40.A O no hydrogen 2.925 N/A ALA 103.A N GLU 81.A O no hydrogen 3.198 N/A ILE 104.A N VAL 42.A O no hydrogen 2.661 N/A THR 105.A N GLU 79.A O no hydrogen 2.817 N/A THR 105.A OG1 GLU 79.A O no hydrogen 3.277 N/A GLU 106.A N GLU 79.A O no hydrogen 3.207 N/A ASP 108.A N LYS 77.A O no hydrogen 2.924 N/A LYS 109.A NZ GLN 75.A OE1 no hydrogen 3.125 N/A SER 115.A N ILE 112.A O no hydrogen 3.041 N/A SER 115.A OG ILE 112.A O no hydrogen 2.696 N/A TRP 117.A NE1 GLN 14.A O no hydrogen 3.038 N/A GLU 118.A N ASN 30.A O no hydrogen 2.845 N/A ILE 120.A N ALA 41.A O no hydrogen 2.760 N/A LEU 121.A N LEU 32.A O no hydrogen 2.663 N/A GLY 122.A N ASN 39.A O no hydrogen 2.827 N/A LEU 123.A N ASP 34.A O no hydrogen 2.903 N/A ALA 124.A N SER 37.A O no hydrogen 2.839 N/A TYR 125.A N TRP 188.A O no hydrogen 2.836 N/A ILE 128.A N TYR 125.A O no hydrogen 3.192 N/A ALA 129.A N ALA 126.A O no hydrogen 2.793 N/A SER 134.A N ASP 132.A OD2 no hydrogen 3.449 N/A SER 134.A OG ASP 132.A OD2 no hydrogen 2.350 N/A LEU 135.A N ASP 132.A O no hydrogen 3.143 N/A SER 141.A N PRO 137.A O no hydrogen 3.207 N/A SER 141.A OG GLU 136.A OE1 no hydrogen 2.436 N/A LEU 142.A N PHE 138.A O no hydrogen 2.899 N/A VAL 143.A N PHE 139.A O no hydrogen 3.017 N/A LYS 144.A N ASP 140.A O no hydrogen 2.807 N/A THR 146.A OG1 LEU 142.A O no hydrogen 2.533 N/A VAL 148.A N THR 146.A OG1 no hydrogen 3.201 N/A LEU 151.A N PRO 149.A O no hydrogen 2.778 N/A PHE 152.A N PHE 336.A O no hydrogen 3.188 N/A SER 153.A N ILE 166.A O no hydrogen 2.929 N/A SER 153.A OG GLY 169.A O no hydrogen 2.640 N/A SER 153.A OG TYR 333.A OH no hydrogen 2.735 N/A LEU 154.A N VAL 334.A O no hydrogen 2.903 N/A GLN 155.A N SER 164.A O no hydrogen 2.903 N/A GLN 155.A NE2 LEU 174.A O no hydrogen 2.921 N/A CYS 157.A N GLY 162.A O no hydrogen 2.765 N/A GLY 163.A N LEU 8.A O no hydrogen 3.290 N/A SER 164.A N GLN 155.A O no hydrogen 2.747 N/A MET 165.A N ASN 7.A OD1 no hydrogen 2.788 N/A ILE 166.A N SER 153.A O no hydrogen 2.900 N/A GLY 168.A N LEU 151.A O no hydrogen 2.907 N/A ASP 171.A N TYR 333.A OH no hydrogen 2.886 N/A SER 173.A N ASP 171.A OD1 no hydrogen 3.109 N/A SER 173.A OG ASP 171.A OD1 no hydrogen 2.715 N/A LEU 174.A N ASP 171.A O no hydrogen 2.924 N/A THR 176.A N VAL 347.A O no hydrogen 2.998 N/A TRP 180.A N PHE 345.A O no hydrogen 2.843 N/A THR 182.A N ILE 343.A O no hydrogen 2.842 N/A THR 182.A OG1 MET 279.A O no hydrogen 2.481 N/A ILE 184.A N LYS 341.A O no hydrogen 2.888 N/A ARG 185.A N GLU 191.A O no hydrogen 2.793 N/A ARG 185.A NH1 GLU 191.A OE2 no hydrogen 3.453 N/A ARG 185.A NH1 TYR 375.A O no hydrogen 3.056 N/A ARG 185.A NH2 TYR 375.A O no hydrogen 3.254 N/A TRP 188.A N ARG 186.A O no hydrogen 3.104 N/A TRP 188.A N TYR 189.A O no hydrogen 3.216 N/A TRP 188.A NE1 GLU 191.A OE1 no hydrogen 3.003 N/A TYR 190.A OH LEU 123.A O no hydrogen 2.806 N/A VAL 192.A N SER 216.A O no hydrogen 2.927 N/A ILE 194.A N ASN 212.A OD1 no hydrogen 2.881 N/A VAL 195.A N TYR 277.A O no hydrogen 2.845 N/A ARG 196.A NE GLU 198.A OE2 no hydrogen 2.948 N/A ARG 196.A NH2 GLU 198.A OE2 no hydrogen 2.806 N/A GLU 198.A N SER 275.A O no hydrogen 2.982 N/A ILE 199.A N GLN 202.A O no hydrogen 3.022 N/A ASN 200.A N VAL 273.A O no hydrogen 2.564 N/A GLN 202.A N ILE 199.A O no hydrogen 3.376 N/A LYS 209.A N ASP 207.A OD1 no hydrogen 2.987 N/A GLU 210.A N ASP 207.A O no hydrogen 2.816 N/A ASN 212.A ND2 ILE 194.A O no hydrogen 2.720 N/A ASN 212.A ND2 CYS 373.A O no hydrogen 2.835 N/A TYR 213.A N GLU 210.A O no hydrogen 2.907 N/A LYS 215.A NZ THR 320.A O no hydrogen 2.442 N/A SER 216.A OG ASN 212.A OD1 no hydrogen 2.965 N/A SER 216.A OG LYS 215.A O no hydrogen 3.340 N/A ILE 217.A N THR 322.A O no hydrogen 3.145 N/A VAL 218.A N TYR 190.A O no hydrogen 2.993 N/A ASP 219.A N MET 324.A O no hydrogen 3.038 N/A SER 220.A N THR 35.A OG1 no hydrogen 3.101 N/A SER 220.A OG VAL 33.A O no hydrogen 2.703 N/A GLY 221.A N ASP 219.A OD1 no hydrogen 2.686 N/A THR 222.A N ASP 219.A O no hydrogen 3.203 N/A THR 222.A OG1 ASP 219.A OD2 no hydrogen 2.784 N/A THR 223.A OG1 SER 12.A O no hydrogen 2.489 N/A LEU 225.A N ALA 314.A O no hydrogen 2.874 N/A ARG 226.A N VAL 323.A O no hydrogen 2.752 N/A ARG 226.A NE SER 316.A OG no hydrogen 3.404 N/A ARG 226.A NE GLN 317.A O no hydrogen 3.486 N/A ARG 226.A NH2 GLN 317.A O no hydrogen 3.216 N/A LEU 227.A N SER 316.A O no hydrogen 2.616 N/A PHE 232.A N PRO 228.A O no hydrogen 2.572 N/A GLU 233.A N LYS 229.A O no hydrogen 2.509 N/A ALA 234.A N LYS 230.A O no hydrogen 2.728 N/A ALA 235.A N VAL 231.A O no hydrogen 2.514 N/A VAL 236.A N PHE 232.A O no hydrogen 2.650 N/A LYS 237.A N GLU 233.A O no hydrogen 3.225 N/A SER 238.A N ALA 234.A O no hydrogen 3.363 N/A ILE 239.A N ALA 235.A O no hydrogen 3.010 N/A LYS 240.A N VAL 236.A O no hydrogen 2.456 N/A LYS 240.A NZ ASP 250.A OD1 no hydrogen 3.337 N/A ALA 241.A N LYS 237.A O no hydrogen 3.024 N/A ALA 242.A N SER 238.A O no hydrogen 3.156 N/A SER 243.A N ILE 239.A O no hydrogen 2.802 N/A SER 243.A N LYS 240.A O no hydrogen 3.008 N/A SER 243.A OG ILE 239.A O no hydrogen 2.355 N/A SER 243.A OG LYS 240.A O no hydrogen 2.994 N/A SER 244.A OG LYS 240.A O no hydrogen 2.938 N/A PHE 252.A N PRO 249.A O no hydrogen 3.233 N/A LEU 254.A N GLY 251.A O no hydrogen 3.134 N/A GLY 255.A N PHE 252.A O no hydrogen 2.810 N/A GLU 256.A N GLY 251.A O no hydrogen 3.268 N/A VAL 259.A N TYR 311.A O no hydrogen 3.121 N/A TRP 261.A N ASP 309.A O no hydrogen 3.018 N/A GLN 262.A N THR 265.A OG1 no hydrogen 2.579 N/A THR 265.A N GLN 262.A O no hydrogen 2.901 N/A THR 265.A OG1 GLN 262.A O no hydrogen 2.360 N/A PHE 271.A N TRP 268.A O no hydrogen 3.203 N/A ILE 274.A N ILE 291.A O no hydrogen 2.910 N/A SER 275.A N GLU 198.A O no hydrogen 2.820 N/A SER 275.A OG THR 290.A OG1 no hydrogen 2.583 N/A LEU 276.A N ILE 289.A O no hydrogen 2.828 N/A TYR 277.A N ARG 196.A O no hydrogen 2.981 N/A TYR 277.A OH GLU 198.A OE1 no hydrogen 3.270 N/A TYR 277.A OH GLU 198.A OE2 no hydrogen 2.642 N/A LEU 278.A N PHE 287.A O no hydrogen 2.919 N/A MET 279.A N ILE 193.A O no hydrogen 2.992 N/A GLY 280.A N GLN 285.A O no hydrogen 3.018 N/A VAL 282.A N GLN 285.A OE1 no hydrogen 3.107 N/A GLN 285.A N VAL 282.A O no hydrogen 2.916 N/A GLN 285.A NE2 SER 286.A O no hydrogen 3.215 N/A SER 286.A N PHE 365.A O no hydrogen 2.870 N/A SER 286.A OG PHE 365.A O no hydrogen 3.408 N/A SER 286.A OG THR 367.A OG1 no hydrogen 2.741 N/A PHE 287.A N LEU 278.A O no hydrogen 3.263 N/A ARG 288.A N GLU 362.A O no hydrogen 2.935 N/A ARG 288.A NE GLU 362.A OE2 no hydrogen 3.088 N/A ARG 288.A NH2 GLU 362.A OE2 no hydrogen 2.992 N/A ILE 289.A N LEU 276.A O no hydrogen 2.735 N/A THR 290.A N ALA 360.A O no hydrogen 2.875 N/A THR 290.A OG1 SER 275.A OG no hydrogen 2.583 N/A ILE 291.A N ILE 274.A O no hydrogen 2.648 N/A GLN 294.A N GLN 294.A OE1 no hydrogen 2.902 N/A GLN 294.A NE2 ASP 354.A OD1 no hydrogen 3.367 N/A GLN 295.A N LEU 292.A O no hydrogen 3.177 N/A TYR 296.A OH PRO 272.A O no hydrogen 2.376 N/A LEU 297.A N PRO 293.A O no hydrogen 3.068 N/A ARG 298.A N LYS 312.A O no hydrogen 3.263 N/A SER 306.A N VAL 303.A O no hydrogen 3.253 N/A SER 306.A OG ASP 308.A OD1 no hydrogen 2.745 N/A TYR 311.A N VAL 259.A O no hydrogen 2.805 N/A LYS 312.A N ARG 298.A O no hydrogen 3.103 N/A ALA 314.A N TYR 296.A O no hydrogen 2.667 N/A SER 316.A N LEU 225.A O no hydrogen 3.305 N/A SER 316.A OG ASN 224.A OD1 no hydrogen 3.234 N/A SER 316.A OG GLN 317.A O no hydrogen 3.497 N/A SER 318.A OG THR 320.A OG1 no hydrogen 3.296 N/A SER 318.A OG GLY 321.A O no hydrogen 2.622 N/A THR 320.A N SER 318.A OG no hydrogen 2.865 N/A THR 320.A OG1 SER 318.A OG no hydrogen 3.296 N/A GLY 321.A N SER 318.A OG no hydrogen 2.464 N/A THR 322.A N LYS 215.A O no hydrogen 2.881 N/A THR 322.A OG1 TYR 211.A O no hydrogen 2.479 N/A THR 322.A OG1 SER 216.A OG no hydrogen 3.042 N/A VAL 323.A N ARG 226.A O no hydrogen 2.733 N/A MET 324.A N ILE 217.A O no hydrogen 2.845 N/A ALA 326.A N THR 222.A O no hydrogen 2.858 N/A VAL 327.A N THR 223.A O no hydrogen 3.042 N/A MET 329.A N GLY 325.A O no hydrogen 2.900 N/A GLU 330.A N ALA 326.A O no hydrogen 2.950 N/A GLY 331.A N ILE 328.A O no hydrogen 3.218 N/A PHE 332.A N MET 329.A O no hydrogen 2.979 N/A TYR 333.A N ALA 346.A O no hydrogen 2.931 N/A VAL 334.A N LEU 154.A O no hydrogen 3.005 N/A VAL 335.A N GLY 344.A O no hydrogen 2.774 N/A PHE 336.A N PHE 152.A O no hydrogen 2.797 N/A ASP 337.A N ARG 342.A O no hydrogen 2.928 N/A ARG 338.A NE ASN 150.A OD1 no hydrogen 2.812 N/A ARG 338.A NH1 ASP 140.A OD2 no hydrogen 2.985 N/A ARG 338.A NH2 TYR 190.A OH no hydrogen 3.134 N/A ALA 339.A N ASN 150.A O no hydrogen 2.837 N/A ARG 340.A N ASP 337.A O no hydrogen 3.103 N/A ARG 340.A N ASP 337.A OD1 no hydrogen 2.781 N/A ARG 340.A NE ASP 337.A OD2 no hydrogen 2.881 N/A ARG 342.A N ASP 337.A O no hydrogen 3.307 N/A ARG 342.A NE ASP 337.A OD2 no hydrogen 2.804 N/A ARG 342.A NH1 GLU 281.A OE2 no hydrogen 2.974 N/A ARG 342.A NH2 ASP 337.A OD2 no hydrogen 3.292 N/A ILE 343.A N THR 182.A O no hydrogen 2.779 N/A GLY 344.A N VAL 335.A O no hydrogen 2.716 N/A PHE 345.A N TRP 180.A O no hydrogen 2.724 N/A ALA 346.A N TYR 333.A O no hydrogen 3.147 N/A SER 348.A N GLY 331.A O no hydrogen 3.120 N/A ALA 349.A N LEU 174.A O no hydrogen 2.674 N/A CYS 350.A N SER 348.A OG no hydrogen 3.014 N/A CYS 350.A SG LEU 156.A O no hydrogen 3.926 N/A CYS 350.A SG SER 348.A OG no hydrogen 3.273 N/A HIS 351.A N SER 348.A O no hydrogen 3.367 N/A HIS 351.A ND1 SER 348.A O no hydrogen 3.092 N/A HIS 353.A ND1 HIS 351.A O no hydrogen 2.840 N/A ARG 357.A N ASP 354.A OD2 no hydrogen 3.051 N/A ARG 357.A NH1 PHE 271.A O no hydrogen 2.896 N/A ARG 357.A NH2 PHE 271.A O no hydrogen 2.611 N/A THR 358.A OG1 ARG 357.A O no hydrogen 2.393 N/A ALA 360.A N THR 290.A O no hydrogen 3.396 N/A GLU 362.A N ARG 288.A O no hydrogen 2.951 N/A PHE 365.A N SER 286.A O no hydrogen 2.846 N/A THR 367.A N ASN 284.A O no hydrogen 2.857 N/A THR 367.A OG1 SER 286.A OG no hydrogen 2.741 N/A ASP 372.A N ASP 369.A O no hydrogen 2.911 N/A CYS 373.A N MET 370.A O no hydrogen 2.846 N/A CYS 373.A SG MET 370.A O no hydrogen 3.368 N/A GLY 374.A N GLU 371.A O no hydrogen 3.468 N/A