Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p54_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 HIS 152.A O no hydrogen 2.741 N/A CYS 3.A N ASP 42.A OD2 no hydrogen 3.010 N/A GLY 5.A N HIS 319.A NE2 no hydrogen 3.210 N/A MET 6.A N CYS 3.A O no hydrogen 2.881 N/A ARG 9.A NE THR 32.A OG1 no hydrogen 2.764 N/A ARG 9.A NH1 GLU 373.A OE1 no hydrogen 3.428 N/A ARG 9.A NH1 GLU 373.A OE2 no hydrogen 2.782 N/A ARG 9.A NH2 THR 32.A OG1 no hydrogen 2.978 N/A ARG 9.A NH2 GLU 373.A OE1 no hydrogen 2.902 N/A ASP 10.A N CYS 30.A O no hydrogen 2.848 N/A ILE 12.A N THR 32.A O no hydrogen 2.717 N/A GLY 14.A N MET 34.A O no hydrogen 2.802 N/A ALA 18.A N ALA 15.A O no hydrogen 2.981 N/A VAL 21.A N LEU 289.A O no hydrogen 2.878 N/A LEU 23.A N CYS 287.A O no hydrogen 2.798 N/A LEU 25.A N LEU 285.A O no hydrogen 2.929 N/A GLU 26.A N SER 29.A OG no hydrogen 3.121 N/A SER 29.A N GLU 26.A O no hydrogen 3.339 N/A SER 29.A OG GLU 26.A O no hydrogen 3.496 N/A CYS 30.A N ASN 8.A O no hydrogen 2.910 N/A LEU 31.A N VAL 43.A O no hydrogen 2.908 N/A THR 32.A N ASP 10.A O no hydrogen 2.790 N/A THR 32.A OG1 ASP 42.A OD1 no hydrogen 2.731 N/A ILE 33.A N LEU 41.A O no hydrogen 2.525 N/A MET 34.A N ILE 12.A O no hydrogen 2.939 N/A LYS 38.A N ALA 35.A O no hydrogen 2.942 N/A LYS 38.A NZ MET 291.A O no hydrogen 2.981 N/A LYS 38.A NZ LEU 294.A O no hydrogen 2.746 N/A THR 40.A OG1 VAL 355.A O no hydrogen 2.600 N/A LEU 41.A N ILE 33.A O no hydrogen 2.876 N/A ASP 42.A N PHE 142.A O no hydrogen 2.799 N/A VAL 43.A N LEU 31.A O no hydrogen 2.724 N/A ARG 44.A N GLY 140.A O no hydrogen 2.959 N/A ILE 46.A N LYS 138.A O no hydrogen 2.825 N/A ASN 47.A N LYS 138.A O no hydrogen 3.286 N/A GLU 49.A N LYS 136.A O no hydrogen 2.666 N/A ALA 50.A N VAL 278.A O no hydrogen 2.981 N/A SER 51.A N ASN 134.A O no hydrogen 3.207 N/A LEU 53.A N SER 51.A O no hydrogen 2.906 N/A ALA 54.A N THR 129.A O no hydrogen 3.297 N/A VAL 56.A N GLY 127.A O no hydrogen 2.732 N/A SER 58.A N THR 226.A O no hydrogen 2.727 N/A TYR 59.A N ALA 125.A O no hydrogen 2.860 N/A TYR 59.A OH PHE 218.A O no hydrogen 2.948 N/A CYS 60.A N PRO 224.A O no hydrogen 2.865 N/A CYS 60.A SG HIS 62.A O no hydrogen 3.199 N/A CYS 60.A SG SER 123.A O no hydrogen 3.661 N/A TYR 61.A N SER 123.A O no hydrogen 2.967 N/A HIS 62.A N SER 123.A O no hydrogen 3.112 N/A SER 64.A N SER 120.A O no hydrogen 2.670 N/A THR 66.A N LYS 118.A O no hydrogen 3.196 N/A SER 69.A N CYS 116.A O no hydrogen 2.999 N/A THR 70.A OG1 THR 115.A OG1 no hydrogen 2.781 N/A VAL 71.A N ASP 114.A O no hydrogen 2.988 N/A ARG 73.A N SER 112.A O no hydrogen 2.797 N/A ARG 73.A NE THR 77.A O no hydrogen 2.920 N/A ARG 73.A NH2 THR 77.A O no hydrogen 3.139 N/A CYS 74.A SG GLY 104.A O no hydrogen 3.576 N/A THR 76.A OG1 PRO 75.A O no hydrogen 2.341 N/A THR 77.A N CYS 74.A O no hydrogen 3.094 N/A THR 77.A OG1 CYS 74.A O no hydrogen 2.659 N/A ALA 80.A N SER 112.A OG no hydrogen 2.674 N/A ASN 82.A N ASP 114.A OD1 no hydrogen 2.827 N/A ASN 82.A ND2 SER 69.A O no hydrogen 3.135 N/A ASN 82.A ND2 SER 69.A OG no hydrogen 3.111 N/A ASN 82.A ND2 ASP 114.A O no hydrogen 2.972 N/A LYS 84.A N ASN 82.A OD1 no hydrogen 3.082 N/A LYS 84.A NZ TYR 90.A OH no hydrogen 3.024 N/A ARG 85.A N ASN 82.A O no hydrogen 2.958 N/A ARG 85.A NE ASP 114.A OD1 no hydrogen 2.690 N/A ARG 85.A NE ASP 114.A OD2 no hydrogen 3.240 N/A ARG 85.A NH2 ASP 114.A OD2 no hydrogen 2.979 N/A ALA 86.A N GLU 83.A O no hydrogen 3.336 N/A ASP 87.A N LYS 84.A O no hydrogen 3.074 N/A SER 89.A N ASP 87.A OD1 no hydrogen 2.907 N/A TYR 90.A N ASP 87.A O no hydrogen 3.010 N/A TYR 90.A OH ASP 67.A OD2 no hydrogen 2.560 N/A VAL 91.A N ALA 117.A O no hydrogen 2.895 N/A LYS 93.A N THR 115.A O no hydrogen 2.908 N/A GLN 94.A NE2 ALA 80.A O no hydrogen 3.178 N/A GLY 95.A N ILE 113.A O no hydrogen 2.868 N/A THR 97.A N GLY 111.A O no hydrogen 2.840 N/A THR 97.A OG1 ALA 247.A O no hydrogen 2.640 N/A ARG 99.A N GLY 109.A O no hydrogen 2.898 N/A ARG 99.A NE ASN 103.A O no hydrogen 3.435 N/A ARG 99.A NE ASN 103.A OD1 no hydrogen 2.960 N/A ARG 99.A NH2 ASN 103.A O no hydrogen 2.797 N/A GLY 100.A N ASN 103.A OD1 no hydrogen 2.936 N/A TRP 101.A NE1 GLY 106.A O no hydrogen 3.087 N/A ASN 103.A N GLY 100.A O no hydrogen 3.145 N/A ASN 103.A ND2 ASP 98.A O no hydrogen 2.959 N/A CYS 105.A N GLY 100.A O no hydrogen 2.957 N/A GLY 109.A N ARG 99.A O no hydrogen 3.099 N/A LYS 110.A NZ ASP 98.A OD1 no hydrogen 2.602 N/A GLY 111.A N THR 97.A O no hydrogen 2.741 N/A ILE 113.A N GLY 95.A O no hydrogen 2.933 N/A ASP 114.A N VAL 71.A O no hydrogen 2.824 N/A THR 115.A N LYS 93.A O no hydrogen 3.069 N/A THR 115.A OG1 THR 70.A OG1 no hydrogen 2.781 N/A THR 115.A OG1 GLN 250.A OE1 no hydrogen 2.666 N/A CYS 116.A N SER 69.A O no hydrogen 2.847 N/A ALA 117.A N VAL 91.A O no hydrogen 3.081 N/A LYS 118.A N THR 66.A O no hydrogen 2.823 N/A PHE 119.A N SER 89.A O no hydrogen 2.871 N/A SER 120.A N SER 64.A O no hydrogen 3.081 N/A CYS 121.A SG HIS 62.A O no hydrogen 3.808 N/A CYS 121.A SG SER 123.A O no hydrogen 3.207 N/A THR 122.A N HIS 62.A O no hydrogen 2.682 N/A SER 123.A N HIS 62.A O no hydrogen 3.150 N/A ALA 125.A N TYR 59.A O no hydrogen 2.652 N/A ILE 126.A N THR 205.A O no hydrogen 3.223 N/A GLY 127.A N ARG 57.A O no hydrogen 2.844 N/A ARG 128.A N VAL 203.A O no hydrogen 2.716 N/A THR 129.A N ALA 54.A O no hydrogen 2.815 N/A ASN 134.A N GLN 131.A O no hydrogen 2.840 N/A LYS 136.A N GLU 49.A O no hydrogen 2.833 N/A TYR 137.A N VAL 169.A O no hydrogen 2.940 N/A TYR 137.A OH PRO 192.A O no hydrogen 3.278 N/A LYS 138.A N ASN 47.A O no hydrogen 2.891 N/A VAL 139.A N PHE 167.A O no hydrogen 2.938 N/A GLY 140.A N ARG 44.A O no hydrogen 2.942 N/A ILE 141.A N ALA 165.A O no hydrogen 2.924 N/A PHE 142.A N ASP 42.A O no hydrogen 2.815 N/A VAL 143.A N GLN 163.A O no hydrogen 2.704 N/A HIS 144.A N THR 40.A O no hydrogen 2.746 N/A HIS 144.A NE2 ASP 42.A OD1 no hydrogen 2.807 N/A GLY 145.A N VAL 143.A O no hydrogen 2.611 N/A THR 146.A OG1 PHE 360.A O no hydrogen 3.022 N/A THR 147.A OG1 HIS 152.A ND1 no hydrogen 3.007 N/A THR 148.A N ASN 151.A OD1 no hydrogen 2.991 N/A SER 149.A N GLU 325.A OE2 no hydrogen 2.644 N/A ASN 151.A N THR 148.A OG1 no hydrogen 2.812 N/A HIS 152.A N THR 148.A O no hydrogen 3.071 N/A HIS 152.A ND1 THR 147.A OG1 no hydrogen 3.007 N/A ASN 154.A N ASN 151.A O no hydrogen 2.868 N/A SER 156.A OG ASN 154.A OD1 no hydrogen 3.039 N/A ALA 157.A N ASN 154.A OD1 no hydrogen 2.878 N/A GLN 158.A N ASN 154.A O no hydrogen 2.980 N/A GLN 158.A NE2 GLN 163.A OE1 no hydrogen 2.907 N/A VAL 159.A N TYR 155.A O no hydrogen 2.800 N/A GLY 160.A N SER 156.A O no hydrogen 2.962 N/A ALA 161.A N ALA 157.A O no hydrogen 3.364 N/A SER 162.A N VAL 159.A O no hydrogen 2.825 N/A GLN 163.A N GLN 158.A O no hydrogen 2.737 N/A ALA 165.A N ILE 141.A O no hydrogen 3.030 N/A PHE 167.A N VAL 139.A O no hydrogen 3.054 N/A VAL 169.A N TYR 137.A O no hydrogen 2.975 N/A THR 170.A N ALA 173.A O no hydrogen 3.147 N/A ALA 173.A N THR 170.A OG1 no hydrogen 2.700 N/A SER 175.A OG ASP 189.A OD1 no hydrogen 2.960 N/A VAL 176.A N LEU 188.A O no hydrogen 3.136 N/A LEU 178.A N VAL 186.A O no hydrogen 2.944 N/A LEU 180.A N GLY 184.A O no hydrogen 2.705 N/A TYR 183.A N LEU 180.A O no hydrogen 3.099 N/A GLY 184.A N GLY 181.A O no hydrogen 3.091 N/A GLU 185.A N LYS 293.A O no hydrogen 2.933 N/A VAL 186.A N LEU 178.A O no hydrogen 3.183 N/A THR 187.A N LYS 290.A O no hydrogen 3.256 N/A LEU 188.A N VAL 176.A O no hydrogen 2.966 N/A ASP 189.A N ARG 288.A O no hydrogen 2.946 N/A CYS 190.A N PRO 174.A O no hydrogen 2.983 N/A GLU 191.A N LYS 286.A O no hydrogen 2.889 N/A SER 194.A N GLU 191.A O no hydrogen 3.219 N/A THR 198.A N LEU 196.A O no hydrogen 2.751 N/A THR 198.A OG1 ILE 130.A O no hydrogen 3.193 N/A ALA 200.A N ASN 197.A O no hydrogen 3.256 N/A TYR 202.A N VAL 213.A O no hydrogen 2.909 N/A TYR 202.A OH HIS 219.A NE2 no hydrogen 2.854 N/A VAL 203.A N ARG 128.A O no hydrogen 2.671 N/A MET 204.A N PHE 211.A O no hydrogen 2.949 N/A THR 205.A N ILE 126.A O no hydrogen 3.002 N/A THR 205.A OG1 SER 210.A OG no hydrogen 3.134 N/A VAL 206.A N LYS 209.A O no hydrogen 2.869 N/A LYS 209.A N VAL 206.A O no hydrogen 3.312 N/A SER 210.A OG THR 205.A OG1 no hydrogen 3.134 N/A PHE 211.A N MET 204.A O no hydrogen 2.857 N/A LEU 212.A N ILE 270.A O no hydrogen 2.934 N/A VAL 213.A N TYR 202.A O no hydrogen 3.050 N/A ARG 215.A NE PHE 201.A O no hydrogen 3.384 N/A ARG 215.A NH2 PHE 201.A O no hydrogen 3.254 N/A PHE 218.A N HIS 214.A O no hydrogen 3.251 N/A HIS 219.A N GLU 216.A O no hydrogen 3.032 N/A HIS 219.A NE2 TYR 202.A OH no hydrogen 2.854 N/A ASP 220.A N GLU 216.A O no hydrogen 3.256 N/A TRP 225.A N ARG 234.A O no hydrogen 3.087 N/A THR 226.A N SER 58.A O no hydrogen 2.972 N/A THR 226.A OG1 SER 230.A O no hydrogen 2.674 N/A SER 227.A N SER 230.A O no hydrogen 3.020 N/A SER 227.A OG VAL 56.A O no hydrogen 3.565 N/A SER 230.A N SER 227.A O no hydrogen 3.044 N/A ARG 234.A N TRP 225.A O no hydrogen 3.002 N/A ARG 236.A NH1 SER 88.A O no hydrogen 2.826 N/A GLU 237.A N GLU 237.A OE1 no hydrogen 2.756 N/A LEU 238.A N ASN 235.A O no hydrogen 3.235 N/A LEU 239.A N ARG 236.A O no hydrogen 2.950 N/A MET 240.A N GLU 237.A O no hydrogen 3.051 N/A GLU 241.A N VAL 253.A O no hydrogen 2.788 N/A GLU 243.A N SER 251.A O no hydrogen 2.733 N/A HIS 246.A N LYS 249.A O no hydrogen 2.911 N/A LYS 249.A N HIS 246.A O no hydrogen 3.015 N/A GLN 250.A NE2 GLU 243.A O no hydrogen 2.770 N/A VAL 253.A N GLU 241.A O no hydrogen 3.050 N/A LEU 255.A N LEU 239.A O no hydrogen 2.864 N/A GLN 258.A N TYR 61.A O no hydrogen 2.668 N/A GLN 258.A NE2 GLY 256.A O no hydrogen 2.793 N/A GLU 259.A N SER 257.A OG no hydrogen 3.247 N/A GLY 261.A N GLN 258.A O no hydrogen 3.095 N/A LEU 262.A N GLN 258.A O no hydrogen 3.390 N/A LEU 262.A N GLU 259.A O no hydrogen 2.881 N/A HIS 263.A N GLU 259.A O no hydrogen 3.159 N/A HIS 263.A NE2 GLU 259.A OE2 no hydrogen 2.999 N/A GLN 264.A N GLY 260.A O no hydrogen 3.148 N/A ALA 265.A N GLY 261.A O no hydrogen 3.028 N/A LEU 266.A N LEU 262.A O no hydrogen 2.689 N/A VAL 272.A N SER 210.A O no hydrogen 2.837 N/A SER 275.A N SER 277.A O no hydrogen 3.428 N/A SER 277.A OG GLU 49.A OE2 no hydrogen 2.785 N/A VAL 278.A N ALA 50.A O no hydrogen 2.778 N/A MET 279.A N GLU 273.A O no hydrogen 2.952 N/A LEU 280.A N ILE 48.A O no hydrogen 2.898 N/A THR 281.A OG1 VAL 271.A O no hydrogen 3.095 N/A LEU 285.A N LEU 25.A O no hydrogen 2.941 N/A CYS 287.A N LEU 23.A O no hydrogen 2.900 N/A ARG 288.A N ASP 189.A O no hydrogen 2.718 N/A ARG 288.A NE ASP 22.A OD1 no hydrogen 2.897 N/A ARG 288.A NH2 ASP 22.A OD1 no hydrogen 3.544 N/A ARG 288.A NH2 ASP 22.A OD2 no hydrogen 3.326 N/A LEU 289.A N VAL 21.A O no hydrogen 2.830 N/A LYS 290.A N THR 187.A O no hydrogen 2.802 N/A MET 291.A N THR 19.A O no hydrogen 2.536 N/A LYS 293.A NZ ASP 292.A OD2 no hydrogen 2.886 N/A LEU 294.A N MET 291.A O no hydrogen 2.965 N/A ALA 295.A N TYR 183.A O no hydrogen 2.811 N/A TYR 301.A N GLY 298.A O no hydrogen 3.289 N/A CYS 304.A N LYS 336.A O no hydrogen 2.936 N/A CYS 304.A SG LYS 336.A O no hydrogen 3.271 N/A THR 305.A N ASP 332.A OD2 no hydrogen 3.044 N/A THR 305.A OG1 ASP 332.A OD2 no hydrogen 3.096 N/A GLU 306.A N TYR 328.A OH no hydrogen 2.952 N/A SER 309.A N SER 327.A O no hydrogen 2.986 N/A LYS 312.A N GLU 325.A O no hydrogen 2.926 N/A VAL 315.A N VAL 323.A O no hydrogen 3.081 N/A THR 317.A N THR 321.A O no hydrogen 2.908 N/A THR 317.A OG1 THR 321.A O no hydrogen 3.291 N/A THR 317.A OG1 THR 321.A OG1 no hydrogen 2.674 N/A GLY 318.A N ASP 316.A OD2 no hydrogen 2.753 N/A HIS 319.A N THR 317.A OG1 no hydrogen 2.977 N/A THR 321.A OG1 THR 317.A OG1 no hydrogen 2.674 N/A THR 321.A OG1 GLU 373.A OE2 no hydrogen 2.465 N/A VAL 322.A N MET 374.A O no hydrogen 2.792 N/A VAL 323.A N VAL 315.A O no hydrogen 3.060 N/A ILE 324.A N VAL 372.A O no hydrogen 2.866 N/A GLU 325.A N LYS 312.A O no hydrogen 3.092 N/A LEU 326.A N VAL 370.A O no hydrogen 2.788 N/A SER 327.A N SER 309.A O no hydrogen 2.893 N/A TYR 328.A N SER 368.A O no hydrogen 2.892 N/A TYR 328.A OH ASP 332.A OD1 no hydrogen 2.465 N/A TYR 328.A OH ASP 332.A OD2 no hydrogen 3.273 N/A SER 329.A N LYS 307.A O no hydrogen 3.033 N/A SER 329.A OG LYS 307.A O no hydrogen 2.598 N/A ASP 332.A N ASP 332.A OD1 no hydrogen 2.616 N/A CYS 335.A N VAL 361.A O no hydrogen 2.818 N/A LYS 336.A N GLY 302.A O no hydrogen 3.037 N/A LYS 336.A NZ THR 299.A O no hydrogen 3.151 N/A ILE 337.A N PRO 359.A O no hydrogen 2.960 N/A VAL 340.A N VAL 384.A O no hydrogen 3.082 N/A VAL 342.A N TYR 382.A O no hydrogen 2.991 N/A ASP 347.A N SER 344.A O no hydrogen 3.048 N/A THR 349.A N ASP 347.A OD1 no hydrogen 3.179 N/A THR 349.A OG1 ASP 347.A OD1 no hydrogen 2.901 N/A VAL 351.A N SER 341.A O no hydrogen 2.859 N/A GLY 352.A N SER 341.A O no hydrogen 3.033 N/A ARG 353.A N GLU 375.A O no hydrogen 2.946 N/A ARG 353.A NE GLU 375.A OE2 no hydrogen 2.949 N/A ARG 353.A NH1 GLU 13.A OE2 no hydrogen 2.837 N/A ARG 353.A NH2 GLU 13.A OE1 no hydrogen 2.745 N/A ARG 353.A NH2 GLU 375.A OE2 no hydrogen 3.420 N/A VAL 355.A N GLU 373.A O no hydrogen 2.906 N/A THR 356.A N GLU 373.A O no hydrogen 3.093 N/A THR 356.A OG1 GLU 373.A O no hydrogen 3.536 N/A VAL 361.A N CYS 335.A O no hydrogen 2.867 N/A THR 363.A OG1 SER 365.A OG no hydrogen 3.239 N/A SER 365.A N THR 363.A OG1 no hydrogen 3.135 N/A SER 365.A OG THR 363.A OG1 no hydrogen 3.239 N/A ASN 367.A N TYR 328.A O no hydrogen 2.653 N/A VAL 370.A N LEU 326.A O no hydrogen 2.897 N/A LEU 371.A N THR 147.A O no hydrogen 2.772 N/A VAL 372.A N ILE 324.A O no hydrogen 2.898 N/A GLU 373.A N THR 356.A OG1 no hydrogen 2.730 N/A MET 374.A N VAL 322.A O no hydrogen 2.719 N/A GLU 375.A N ARG 353.A O no hydrogen 2.760 N/A GLY 379.A N LYS 398.A O no hydrogen 2.948 N/A SER 381.A N TRP 396.A O no hydrogen 2.927 N/A TYR 382.A N VAL 342.A O no hydrogen 2.802 N/A ILE 383.A N HIS 394.A O no hydrogen 2.890 N/A VAL 384.A N VAL 340.A O no hydrogen 2.959 N/A VAL 385.A N ILE 392.A O no hydrogen 2.840 N/A GLY 386.A N PRO 338.A O no hydrogen 2.906 N/A LYS 390.A N ARG 387.A O no hydrogen 3.029 N/A ILE 392.A N VAL 385.A O no hydrogen 2.750 N/A HIS 394.A N ILE 383.A O no hydrogen 2.883 N/A HIS 394.A ND1 HIS 395.A O no hydrogen 2.755 N/A HIS 395.A NE2 ASP 380.A OD1 no hydrogen 2.893 N/A TRP 396.A N SER 381.A O no hydrogen 2.792 N/A HIS 397.A ND1 ASP 380.A OD1 no hydrogen 2.866 N/A LYS 398.A N GLY 379.A O no hydrogen 3.006 N/A LYS 398.A NZ PRO 376.A O no hydrogen 2.930 N/A SER 401.A OG THR 402.A O no hydrogen 3.143 N/A