Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6a0p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N ASP 43.A OD2 no hydrogen 2.671 N/A MET 7.A N CYS 4.A O no hydrogen 3.269 N/A ASN 9.A ND2 ASP 29.A O no hydrogen 2.958 N/A ARG 10.A N SER 8.A O no hydrogen 2.925 N/A ARG 10.A NE THR 33.A OG1 no hydrogen 3.161 N/A ARG 10.A NH1 GLU 374.A OE2 no hydrogen 2.854 N/A ARG 10.A NH2 THR 33.A OG1 no hydrogen 3.050 N/A ARG 10.A NH2 GLU 374.A OE1 no hydrogen 2.903 N/A ARG 10.A NH2 GLU 374.A OE2 no hydrogen 3.314 N/A ASP 11.A N CYS 31.A O no hydrogen 2.972 N/A LEU 13.A N THR 33.A O no hydrogen 2.854 N/A GLY 15.A N MET 35.A O no hydrogen 2.602 N/A ALA 19.A N VAL 16.A O no hydrogen 3.021 N/A VAL 22.A N VAL 290.A O no hydrogen 2.896 N/A VAL 24.A N CYS 288.A O no hydrogen 2.845 N/A LEU 26.A N LEU 286.A O no hydrogen 2.788 N/A GLU 27.A N SER 30.A OG no hydrogen 3.420 N/A CYS 31.A N ASN 9.A O no hydrogen 3.058 N/A ILE 32.A N ILE 44.A O no hydrogen 3.073 N/A THR 33.A N ASP 11.A O no hydrogen 2.893 N/A THR 33.A OG1 ASP 43.A OD1 no hydrogen 2.869 N/A ILE 34.A N ILE 42.A O no hydrogen 2.703 N/A MET 35.A N LEU 13.A O no hydrogen 3.025 N/A LYS 39.A N ALA 36.A O no hydrogen 3.080 N/A LYS 39.A NZ LEU 295.A O no hydrogen 3.023 N/A THR 41.A OG1 VAL 356.A O no hydrogen 2.642 N/A ILE 42.A N ILE 34.A O no hydrogen 2.984 N/A ASP 43.A N PHE 143.A O no hydrogen 2.764 N/A ILE 44.A N ILE 32.A O no hydrogen 2.895 N/A LYS 45.A N GLY 141.A O no hydrogen 2.978 N/A LYS 45.A NZ MET 1.A O no hydrogen 2.866 N/A LYS 45.A NZ MET 46.A O no hydrogen 3.159 N/A MET 47.A N GLU 139.A O no hydrogen 2.736 N/A GLU 48.A N GLU 139.A O no hydrogen 3.412 N/A GLU 50.A N LYS 137.A O no hydrogen 3.165 N/A ALA 51.A N VAL 279.A O no hydrogen 3.137 N/A THR 52.A N ASN 135.A O no hydrogen 3.084 N/A ALA 55.A N MET 130.A O no hydrogen 3.022 N/A VAL 57.A N GLY 128.A O no hydrogen 2.840 N/A SER 59.A N THR 227.A O no hydrogen 3.203 N/A SER 59.A OG GLU 56.A OE2 no hydrogen 2.726 N/A TYR 60.A N ALA 126.A O no hydrogen 2.851 N/A TYR 60.A OH PHE 219.A O no hydrogen 2.851 N/A CYS 61.A N PRO 225.A O no hydrogen 2.968 N/A CYS 61.A SG LEU 63.A O no hydrogen 3.271 N/A CYS 61.A SG LEU 124.A O no hydrogen 3.643 N/A TYR 62.A N LEU 124.A O no hydrogen 2.912 N/A THR 65.A N THR 121.A O no hydrogen 3.164 N/A THR 65.A OG1 SER 123.A OG no hydrogen 3.211 N/A SER 67.A N ASN 119.A O no hydrogen 3.231 N/A SER 70.A N CYS 117.A O no hydrogen 3.010 N/A THR 71.A OG1 THR 116.A OG1 no hydrogen 2.705 N/A VAL 72.A N ASP 115.A O no hydrogen 2.949 N/A ASN 74.A N SER 113.A O no hydrogen 2.994 N/A ASN 74.A ND2 THR 78.A O no hydrogen 3.629 N/A ASN 74.A ND2 THR 78.A OG1 no hydrogen 3.328 N/A THR 77.A OG1 PRO 76.A O no hydrogen 2.515 N/A THR 78.A N CYS 75.A O no hydrogen 3.106 N/A THR 78.A OG1 CYS 75.A O no hydrogen 2.530 N/A ALA 81.A N SER 113.A OG no hydrogen 2.863 N/A ASN 83.A N ASP 115.A OD2 no hydrogen 2.752 N/A ASN 83.A ND2 SER 70.A OG no hydrogen 3.172 N/A ASN 83.A ND2 ASP 115.A O no hydrogen 3.057 N/A LYS 85.A N ASN 83.A OD1 no hydrogen 3.013 N/A LYS 85.A NZ GLU 88.A OE2 no hydrogen 3.172 N/A ARG 86.A N ASN 83.A O no hydrogen 3.006 N/A ARG 86.A NE ASP 115.A OD1 no hydrogen 3.292 N/A ARG 86.A NE ASP 115.A OD2 no hydrogen 2.794 N/A ARG 86.A NH2 ASP 115.A OD1 no hydrogen 2.836 N/A ALA 87.A N PRO 84.A O no hydrogen 2.979 N/A GLU 88.A N LYS 85.A O no hydrogen 3.247 N/A THR 90.A OG1 ASN 119.A OD1 no hydrogen 2.939 N/A TYR 91.A N GLU 88.A O no hydrogen 3.105 N/A TYR 91.A OH ASP 68.A OD2 no hydrogen 2.217 N/A VAL 92.A N ALA 118.A O no hydrogen 2.906 N/A LYS 94.A N THR 116.A O no hydrogen 2.739 N/A GLY 96.A N ILE 114.A O no hydrogen 2.894 N/A THR 98.A N GLY 112.A O no hydrogen 2.852 N/A ARG 100.A N GLY 110.A O no hydrogen 2.827 N/A ARG 100.A NE ASN 104.A OD1 no hydrogen 2.884 N/A ARG 100.A NH2 ASN 104.A O no hydrogen 2.911 N/A GLY 101.A N ASN 104.A OD1 no hydrogen 2.898 N/A TRP 102.A NE1 GLY 107.A O no hydrogen 2.704 N/A ASN 104.A N GLY 101.A O no hydrogen 3.152 N/A ASN 104.A ND2 ASP 99.A O no hydrogen 3.126 N/A GLY 105.A N TRP 102.A O no hydrogen 2.978 N/A CYS 106.A N GLY 101.A O no hydrogen 2.837 N/A GLY 110.A N ARG 100.A O no hydrogen 3.083 N/A GLY 112.A N THR 98.A O no hydrogen 2.780 N/A SER 113.A N ASN 74.A O no hydrogen 3.136 N/A ILE 114.A N GLY 96.A O no hydrogen 2.854 N/A ASP 115.A N VAL 72.A O no hydrogen 2.885 N/A THR 116.A N LYS 94.A O no hydrogen 3.022 N/A THR 116.A OG1 THR 71.A OG1 no hydrogen 2.705 N/A THR 116.A OG1 GLN 251.A OE1 no hydrogen 2.828 N/A CYS 117.A N SER 70.A O no hydrogen 2.956 N/A ALA 118.A N VAL 92.A O no hydrogen 2.990 N/A ASN 119.A N SER 67.A O no hydrogen 2.697 N/A ASN 119.A ND2 SER 67.A OG no hydrogen 3.360 N/A PHE 120.A N THR 90.A O no hydrogen 2.670 N/A THR 121.A N THR 65.A O no hydrogen 3.391 N/A THR 121.A OG1 THR 65.A O no hydrogen 3.449 N/A CYS 122.A SG LEU 63.A O no hydrogen 3.851 N/A CYS 122.A SG LEU 124.A O no hydrogen 3.094 N/A SER 123.A N LEU 63.A O no hydrogen 2.805 N/A SER 123.A OG THR 65.A OG1 no hydrogen 3.211 N/A LEU 124.A N LEU 63.A O no hydrogen 3.355 N/A ALA 126.A N TYR 60.A O no hydrogen 2.887 N/A MET 127.A N SER 206.A O no hydrogen 3.095 N/A GLY 128.A N ARG 58.A O no hydrogen 2.885 N/A ARG 129.A N ILE 204.A O no hydrogen 2.777 N/A MET 130.A N ALA 55.A O no hydrogen 2.793 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.911 N/A ASN 135.A N GLN 132.A O no hydrogen 2.801 N/A VAL 136.A N PRO 133.A O no hydrogen 3.334 N/A LYS 137.A N GLU 50.A O no hydrogen 3.214 N/A LYS 137.A NZ GLU 139.A OE2 no hydrogen 3.012 N/A TYR 138.A N ILE 170.A O no hydrogen 2.837 N/A TYR 138.A OH LEU 197.A O no hydrogen 2.567 N/A GLU 139.A N GLU 48.A O no hydrogen 2.734 N/A VAL 140.A N PHE 168.A O no hydrogen 2.892 N/A GLY 141.A N LYS 45.A O no hydrogen 2.764 N/A ILE 142.A N GLY 166.A O no hydrogen 3.043 N/A PHE 143.A N ASP 43.A O no hydrogen 2.962 N/A ILE 144.A N GLN 164.A O no hydrogen 2.795 N/A HIS 145.A N THR 41.A O no hydrogen 2.857 N/A HIS 145.A NE2 ASP 43.A OD1 no hydrogen 2.653 N/A GLY 146.A N ILE 144.A O no hydrogen 2.809 N/A SER 147.A N TYR 361.A OH no hydrogen 3.128 N/A SER 147.A OG TYR 361.A O no hydrogen 2.697 N/A THR 148.A OG1 HIS 153.A ND1 no hydrogen 2.758 N/A SER 149.A N THR 152.A OG1 no hydrogen 2.867 N/A SER 150.A N GLU 326.A OE2 no hydrogen 2.859 N/A ASP 151.A N SER 149.A OG no hydrogen 3.086 N/A THR 152.A N SER 149.A OG no hydrogen 3.131 N/A HIS 153.A N SER 149.A O no hydrogen 2.923 N/A HIS 153.A ND1 THR 148.A OG1 no hydrogen 2.758 N/A ASN 155.A N THR 152.A O no hydrogen 2.974 N/A SER 158.A N ASN 155.A OD1 no hydrogen 2.670 N/A GLN 159.A N ASN 155.A O no hydrogen 3.010 N/A GLN 159.A NE2 THR 152.A O no hydrogen 2.773 N/A LEU 160.A N TYR 156.A O no hydrogen 2.744 N/A GLY 161.A N SER 157.A O no hydrogen 2.913 N/A ALA 162.A N SER 158.A O no hydrogen 2.963 N/A SER 163.A N LEU 160.A O no hydrogen 3.007 N/A GLN 164.A N GLN 159.A O no hydrogen 2.872 N/A GLN 164.A NE2 SER 147.A O no hydrogen 3.333 N/A GLN 164.A NE2 GLN 159.A OE1 no hydrogen 2.815 N/A GLY 166.A N ILE 142.A O no hydrogen 3.042 N/A PHE 168.A N VAL 140.A O no hydrogen 2.928 N/A THR 169.A OG1 GLU 139.A OE1 no hydrogen 2.960 N/A THR 169.A OG1 GLU 139.A OE2 no hydrogen 2.847 N/A ILE 170.A N TYR 138.A O no hydrogen 2.794 N/A THR 171.A N SER 174.A O no hydrogen 3.278 N/A SER 174.A N THR 171.A OG1 no hydrogen 2.665 N/A ILE 177.A N VAL 189.A O no hydrogen 2.781 N/A VAL 179.A N ILE 187.A O no hydrogen 2.829 N/A MET 181.A N GLY 185.A O no hydrogen 2.788 N/A TYR 184.A N MET 181.A O no hydrogen 2.751 N/A GLU 186.A N LYS 294.A O no hydrogen 3.107 N/A ILE 187.A N VAL 179.A O no hydrogen 3.032 N/A SER 188.A N LYS 291.A O no hydrogen 3.192 N/A VAL 189.A N ILE 177.A O no hydrogen 2.851 N/A GLU 190.A N ARG 289.A O no hydrogen 3.161 N/A CYS 191.A N PRO 175.A O no hydrogen 3.002 N/A GLU 192.A N LYS 287.A O no hydrogen 2.872 N/A ARG 194.A N HIS 285.A O no hydrogen 2.820 N/A LEU 197.A N ARG 194.A O no hydrogen 3.248 N/A ASN 198.A N ASN 195.A O no hydrogen 2.966 N/A ALA 201.A N ASN 198.A O no hydrogen 2.889 N/A TYR 202.A N THR 199.A O no hydrogen 3.465 N/A TYR 203.A N VAL 214.A O no hydrogen 2.979 N/A TYR 203.A OH ASN 220.A OD1 no hydrogen 3.276 N/A ILE 204.A N ARG 129.A O no hydrogen 2.771 N/A MET 205.A N PHE 212.A O no hydrogen 2.759 N/A SER 206.A N MET 127.A O no hydrogen 2.755 N/A SER 206.A OG HIS 211.A ND1 no hydrogen 2.725 N/A VAL 207.A N LYS 210.A O no hydrogen 3.057 N/A LYS 210.A N VAL 207.A O no hydrogen 3.016 N/A HIS 211.A ND1 SER 206.A OG no hydrogen 2.725 N/A PHE 212.A N MET 205.A O no hydrogen 2.900 N/A LEU 213.A N VAL 271.A O no hydrogen 2.972 N/A VAL 214.A N TYR 203.A O no hydrogen 2.897 N/A ARG 216.A N ALA 201.A O no hydrogen 3.135 N/A ARG 216.A NE TYR 202.A O no hydrogen 3.056 N/A ARG 216.A NH2 THR 199.A O no hydrogen 3.320 N/A PHE 219.A N HIS 215.A O no hydrogen 3.181 N/A ASN 220.A N ARG 216.A O no hydrogen 2.915 N/A ASN 220.A ND2 TYR 203.A OH no hydrogen 3.457 N/A ASP 221.A N GLU 217.A O no hydrogen 3.042 N/A LEU 222.A N PHE 219.A O no hydrogen 3.241 N/A TRP 226.A N ARG 235.A O no hydrogen 2.980 N/A THR 227.A N SER 59.A O no hydrogen 3.131 N/A SER 231.A OG ALA 230.A O no hydrogen 2.307 N/A SER 232.A OG SER 228.A O no hydrogen 2.999 N/A ASN 233.A N SER 231.A O no hydrogen 3.228 N/A ARG 235.A N TRP 226.A O no hydrogen 2.695 N/A ARG 237.A NH1 ASP 89.A O no hydrogen 2.596 N/A GLU 238.A N GLU 238.A OE2 no hydrogen 2.582 N/A ILE 239.A N ASN 236.A O no hydrogen 3.134 N/A LEU 241.A N GLU 238.A O no hydrogen 3.043 N/A GLU 242.A N VAL 254.A O no hydrogen 2.759 N/A GLU 244.A N SER 252.A O no hydrogen 2.784 N/A HIS 247.A N LYS 250.A O no hydrogen 2.845 N/A GLN 251.A NE2 GLU 244.A O no hydrogen 2.846 N/A VAL 254.A N GLU 242.A O no hydrogen 2.959 N/A LEU 256.A N LEU 240.A O no hydrogen 2.725 N/A SER 258.A OG TYR 62.A O no hydrogen 3.450 N/A GLN 259.A N TYR 62.A O no hydrogen 2.810 N/A GLN 259.A NE2 GLY 257.A O no hydrogen 2.781 N/A GLU 260.A N SER 258.A OG no hydrogen 3.209 N/A LEU 263.A N GLN 259.A O no hydrogen 2.993 N/A HIS 264.A N GLU 260.A O no hydrogen 2.830 N/A GLN 265.A N GLY 261.A O no hydrogen 2.998 N/A ALA 266.A N ALA 262.A O no hydrogen 3.008 N/A LEU 267.A N LEU 263.A O no hydrogen 2.969 N/A LEU 267.A N HIS 264.A O no hydrogen 3.116 N/A ALA 270.A N LEU 267.A O no hydrogen 3.137 N/A VAL 273.A N HIS 211.A O no hydrogen 2.728 N/A SER 276.A OG HIS 211.A ND1 no hydrogen 3.064 N/A GLY 277.A N PHE 275.A O no hydrogen 2.810 N/A SER 278.A OG GLU 50.A OE2 no hydrogen 3.011 N/A LYS 280.A NZ GLU 48.A OE1 no hydrogen 2.450 N/A LYS 280.A NZ GLU 50.A OE2 no hydrogen 3.269 N/A LEU 281.A N THR 49.A O no hydrogen 3.007 N/A HIS 285.A N ARG 194.A O no hydrogen 3.191 N/A LEU 286.A N LEU 26.A O no hydrogen 2.871 N/A LYS 287.A N GLU 192.A O no hydrogen 2.951 N/A CYS 288.A N VAL 24.A O no hydrogen 2.858 N/A ARG 289.A N GLU 190.A O no hydrogen 2.954 N/A ARG 289.A NE ASP 23.A OD1 no hydrogen 3.007 N/A ARG 289.A NH2 ASP 23.A OD2 no hydrogen 3.473 N/A VAL 290.A N VAL 22.A O no hydrogen 2.904 N/A LYS 291.A N SER 188.A O no hydrogen 2.754 N/A MET 292.A N THR 20.A O no hydrogen 2.951 N/A GLU 293.A N GLU 293.A OE1 no hydrogen 3.016 N/A LEU 295.A N MET 292.A O no hydrogen 3.057 N/A THR 296.A N TYR 184.A O no hydrogen 2.897 N/A THR 296.A OG1 LEU 297.A O no hydrogen 2.945 N/A LYS 298.A NZ TYR 302.A OH no hydrogen 2.783 N/A THR 301.A OG1 TYR 302.A O no hydrogen 3.500 N/A CYS 305.A N LYS 337.A O no hydrogen 2.878 N/A CYS 305.A SG LYS 337.A O no hydrogen 3.314 N/A THR 306.A N ASP 333.A OD1 no hydrogen 3.487 N/A THR 306.A OG1 GLU 307.A OE1 no hydrogen 2.628 N/A THR 306.A OG1 ASP 333.A OD1 no hydrogen 3.354 N/A GLU 307.A N TYR 329.A OH no hydrogen 3.052 N/A LYS 308.A NZ PHE 309.A O no hydrogen 3.118 N/A SER 310.A N GLN 328.A O no hydrogen 3.054 N/A LYS 313.A N GLU 326.A O no hydrogen 3.021 N/A ALA 316.A N VAL 324.A O no hydrogen 2.777 N/A THR 318.A N THR 322.A O no hydrogen 3.079 N/A THR 318.A OG1 THR 322.A O no hydrogen 3.169 N/A THR 318.A OG1 THR 322.A OG1 no hydrogen 2.617 N/A GLY 319.A N ASP 317.A OD1 no hydrogen 2.697 N/A HIS 320.A N THR 318.A OG1 no hydrogen 3.200 N/A HIS 320.A NE2 MET 7.A O no hydrogen 2.843 N/A THR 322.A OG1 THR 318.A OG1 no hydrogen 2.617 N/A THR 322.A OG1 GLU 374.A OE2 no hydrogen 2.805 N/A VAL 323.A N MET 375.A O no hydrogen 2.822 N/A VAL 324.A N ALA 316.A O no hydrogen 2.949 N/A LEU 325.A N VAL 373.A O no hydrogen 2.910 N/A GLU 326.A N LYS 313.A O no hydrogen 3.139 N/A LEU 327.A N VAL 371.A O no hydrogen 2.866 N/A GLN 328.A N SER 310.A O no hydrogen 2.939 N/A GLN 328.A NE2 ASN 368.A O no hydrogen 3.362 N/A TYR 329.A N ALA 369.A O no hydrogen 2.844 N/A TYR 329.A OH ASP 333.A OD1 no hydrogen 3.153 N/A TYR 329.A OH ASP 333.A OD2 no hydrogen 2.562 N/A THR 330.A N LYS 308.A O no hydrogen 3.136 N/A THR 330.A OG1 LYS 308.A O no hydrogen 2.903 N/A SER 332.A OG SER 365.A O no hydrogen 3.352 N/A CYS 336.A N VAL 362.A O no hydrogen 3.141 N/A LYS 337.A N GLY 303.A O no hydrogen 2.793 N/A LYS 337.A NZ PRO 360.A O no hydrogen 3.031 N/A ILE 338.A N PRO 360.A O no hydrogen 2.922 N/A ILE 340.A N ILE 338.A O no hydrogen 2.880 N/A SER 341.A N VAL 385.A O no hydrogen 3.035 N/A VAL 343.A N TYR 383.A O no hydrogen 2.904 N/A SER 347.A N SER 345.A OG no hydrogen 3.010 N/A ASP 348.A N SER 345.A O no hydrogen 3.063 N/A THR 350.A N ASP 348.A OD1 no hydrogen 3.145 N/A THR 350.A OG1 ASP 348.A OD1 no hydrogen 2.868 N/A ILE 352.A N ILE 342.A O no hydrogen 2.799 N/A ARG 354.A N GLU 376.A O no hydrogen 3.057 N/A ARG 354.A NH1 GLU 376.A OE1 no hydrogen 3.009 N/A VAL 356.A N GLU 374.A O no hydrogen 2.915 N/A THR 357.A N GLU 374.A O no hydrogen 2.966 N/A THR 357.A OG1 GLU 374.A O no hydrogen 3.431 N/A VAL 362.A N CYS 336.A O no hydrogen 2.914 N/A GLU 366.A N SER 364.A OG no hydrogen 2.865 N/A VAL 371.A N LEU 327.A O no hydrogen 2.904 N/A LEU 372.A N THR 148.A O no hydrogen 2.712 N/A VAL 373.A N LEU 325.A O no hydrogen 2.863 N/A GLU 374.A N THR 357.A OG1 no hydrogen 2.754 N/A MET 375.A N VAL 323.A O no hydrogen 2.831 N/A GLU 376.A N ARG 354.A O no hydrogen 2.704 N/A GLY 380.A N LYS 399.A O no hydrogen 2.787 N/A SER 382.A N TRP 397.A O no hydrogen 2.768 N/A TYR 383.A N VAL 343.A O no hydrogen 2.868 N/A ILE 384.A N HIS 395.A O no hydrogen 2.836 N/A VAL 385.A N SER 341.A O no hydrogen 2.942 N/A VAL 386.A N ILE 393.A O no hydrogen 2.878 N/A GLY 387.A N PRO 339.A O no hydrogen 2.935 N/A ARG 388.A NH2 GLY 387.A O no hydrogen 2.508 N/A LYS 391.A N ARG 388.A O no hydrogen 3.163 N/A GLN 392.A N GLY 389.A O no hydrogen 3.211 N/A ILE 393.A N VAL 386.A O no hydrogen 2.957 N/A ASN 394.A ND2 GLN 392.A OE1 no hydrogen 3.431 N/A HIS 395.A N ILE 384.A O no hydrogen 2.834 N/A HIS 395.A ND1 HIS 396.A O no hydrogen 2.887 N/A HIS 396.A NE2 ASP 381.A OD1 no hydrogen 2.855 N/A TRP 397.A N SER 382.A O no hydrogen 2.786 N/A LYS 399.A N GLY 380.A O no hydrogen 2.883 N/A LYS 399.A NZ GLY 321.A O no hydrogen 3.003 N/A LYS 399.A NZ PRO 377.A O no hydrogen 3.022 N/A ILE 404.A N SER 402.A OG no hydrogen 3.097 N/A