Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pqu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLU 37.A OE2 no hydrogen 2.730 N/A THR 2.A OG1 GLU 37.A O no hydrogen 2.255 N/A ILE 3.A N GLU 37.A O no hydrogen 2.941 N/A PHE 4.A N ILE 38.A O no hydrogen 3.311 N/A LYS 8.A N SER 5.A O no hydrogen 3.200 N/A LYS 8.A N SER 5.A OG no hydrogen 3.270 N/A ALA 9.A N SER 5.A O no hydrogen 2.900 N/A LEU 10.A N PRO 6.A O no hydrogen 2.954 N/A LEU 12.A N LYS 8.A O no hydrogen 2.971 N/A LEU 13.A N ALA 9.A O no hydrogen 2.869 N/A LEU 14.A N LEU 10.A O no hydrogen 2.914 N/A SER 15.A N GLY 11.A O no hydrogen 2.930 N/A SER 15.A OG GLY 11.A O no hydrogen 2.973 N/A SER 15.A OG THR 436.A OG1 no hydrogen 3.392 N/A LEU 16.A N LEU 12.A O no hydrogen 3.145 N/A LYS 17.A N LEU 14.A O no hydrogen 2.464 N/A LYS 17.A NZ SER 15.A O no hydrogen 3.225 N/A LEU 18.A N LEU 13.A O no hydrogen 3.049 N/A GLN 22.A N SER 19.A OG no hydrogen 3.356 N/A TYR 23.A N SER 19.A O no hydrogen 3.052 N/A TYR 23.A OH PRO 40.A O no hydrogen 3.159 N/A ILE 24.A N LYS 20.A O no hydrogen 2.971 N/A THR 25.A N TRP 21.A O no hydrogen 2.950 N/A THR 25.A OG1 TRP 21.A O no hydrogen 3.397 N/A LEU 26.A N GLN 22.A O no hydrogen 2.840 N/A ARG 27.A N TYR 23.A O no hydrogen 2.945 N/A ARG 27.A NE TYR 39.A O no hydrogen 2.304 N/A GLU 28.A N ILE 24.A O no hydrogen 2.905 N/A THR 29.A N THR 25.A O no hydrogen 2.861 N/A THR 29.A OG1 THR 25.A O no hydrogen 2.999 N/A THR 30.A N LEU 26.A O no hydrogen 2.971 N/A ILE 31.A N ARG 27.A O no hydrogen 2.905 N/A ARG 32.A N GLU 28.A O no hydrogen 2.884 N/A GLU 33.A N THR 29.A O no hydrogen 3.034 N/A GLY 34.A N ILE 31.A O no hydrogen 2.974 N/A VAL 45.A N SER 41.A O no hydrogen 2.920 N/A GLN 46.A N TYR 42.A O no hydrogen 2.825 N/A LYS 47.A N TYR 43.A O no hydrogen 2.874 N/A LYS 47.A NZ TYR 43.A OH no hydrogen 3.242 N/A ALA 48.A N LYS 44.A O no hydrogen 2.947 N/A LYS 49.A N VAL 45.A O no hydrogen 2.856 N/A LEU 50.A N GLN 46.A O no hydrogen 2.853 N/A CYS 52.A N ALA 48.A O no hydrogen 2.956 N/A CYS 52.A SG ALA 48.A O no hydrogen 3.096 N/A CYS 52.A SG ASP 430.A OD2 no hydrogen 3.281 N/A TYR 53.A N LEU 50.A O no hydrogen 2.747 N/A LYS 56.A NZ GLU 419.A OE2 no hydrogen 3.132 N/A PHE 58.A N PRO 55.A O no hydrogen 2.745 N/A ALA 60.A N LYS 67.A O no hydrogen 2.965 N/A THR 62.A N SER 65.A O no hydrogen 2.872 N/A SER 65.A N THR 62.A O no hydrogen 2.912 N/A ALA 66.A N PHE 149.A O no hydrogen 2.909 N/A LYS 67.A N ALA 60.A O no hydrogen 2.928 N/A ILE 68.A N VAL 147.A O no hydrogen 2.938 N/A ALA 72.A N ALA 69.A O no hydrogen 2.628 N/A LEU 73.A N ALA 69.A O no hydrogen 3.288 N/A LEU 74.A N LEU 70.A O no hydrogen 2.932 N/A ASP 75.A N GLN 71.A O no hydrogen 2.925 N/A LEU 76.A N ALA 72.A O no hydrogen 2.893 N/A THR 77.A N LEU 73.A O no hydrogen 2.954 N/A THR 77.A OG1 LEU 73.A O no hydrogen 3.176 N/A VAL 78.A N LEU 74.A O no hydrogen 2.965 N/A ASN 79.A N ASP 75.A O no hydrogen 2.941 N/A ARG 80.A N LEU 76.A O no hydrogen 2.954 N/A ARG 80.A NH1 GLN 51.A OE1 no hydrogen 2.454 N/A ILE 81.A N THR 77.A O no hydrogen 3.009 N/A GLU 83.A N ASN 79.A O no hydrogen 2.904 N/A THR 84.A N ARG 80.A O no hydrogen 3.131 N/A THR 84.A OG1 ARG 80.A O no hydrogen 3.350 N/A ILE 85.A N ILE 81.A O no hydrogen 2.866 N/A ARG 86.A NH1 ILE 91.A O no hydrogen 2.673 N/A LEU 96.A N GLN 95.A OE1 no hydrogen 2.971 N/A ILE 97.A N THR 126.A O no hydrogen 2.934 N/A LEU 98.A N SER 184.A O no hydrogen 3.305 N/A SER 100.A N LYS 186.A O no hydrogen 2.788 N/A SER 100.A OG VAL 121.A O no hydrogen 2.731 N/A LYS 101.A N VAL 121.A O no hydrogen 3.385 N/A LYS 101.A NZ PRO 138.A O no hydrogen 3.378 N/A TRP 102.A N MET 188.A O no hydrogen 2.768 N/A GLY 103.A N SER 119.A O no hydrogen 2.906 N/A PHE 104.A N MET 191.A O no hydrogen 2.879 N/A ALA 107.A N ILE 115.A O no hydrogen 3.223 N/A SER 113.A N GLY 111.A O no hydrogen 2.870 N/A SER 113.A OG SER 114.A OG no hydrogen 3.380 N/A SER 114.A OG SER 113.A OG no hydrogen 3.380 N/A PHE 116.A N SER 150.A O no hydrogen 3.209 N/A THR 118.A OG1 GLN 148.A OE1 no hydrogen 3.167 N/A THR 118.A OG1 GLU 162.A OE2 no hydrogen 3.053 N/A LEU 120.A N ARG 145.A O no hydrogen 2.376 N/A VAL 121.A N LYS 101.A O no hydrogen 3.085 N/A LEU 123.A N ILE 99.A O no hydrogen 2.933 N/A LYS 124.A N ILE 99.A O no hydrogen 2.946 N/A LEU 125.A N TRP 133.A O no hydrogen 2.886 N/A THR 126.A N ILE 97.A O no hydrogen 2.938 N/A ALA 127.A N ASP 130.A O no hydrogen 2.445 N/A ASP 128.A N GLN 95.A O no hydrogen 2.746 N/A ASP 130.A N ALA 127.A O no hydrogen 2.544 N/A VAL 132.A N LEU 125.A O no hydrogen 2.872 N/A TRP 133.A N LEU 125.A O no hydrogen 2.964 N/A ASN 135.A ND2 PRO 122.A O no hydrogen 2.940 N/A LYS 137.A N ASN 135.A OD1 no hydrogen 3.361 N/A CYS 139.A SG SER 388.A O no hydrogen 3.940 N/A CYS 139.A SG GLU 462.A OE2 no hydrogen 3.074 N/A SER 140.A N LYS 137.A O no hydrogen 2.863 N/A CYS 144.A N PRO 141.A O no hydrogen 3.501 N/A CYS 144.A SG PRO 141.A O no hydrogen 3.906 N/A CYS 144.A SG CYS 144.A O no hydrogen 2.858 N/A ARG 145.A N LEU 120.A O no hydrogen 2.213 N/A PHE 149.A N ALA 66.A O no hydrogen 2.926 N/A SER 150.A N PHE 116.A O no hydrogen 3.188 N/A PHE 151.A N SER 64.A O no hydrogen 3.425 N/A VAL 152.A N SER 150.A O no hydrogen 2.953 N/A THR 155.A N LYS 153.A O no hydrogen 2.878 N/A LYS 156.A NZ TYR 199.A O no hydrogen 3.556 N/A LYS 156.A NZ GLU 202.A O no hydrogen 3.275 N/A VAL 158.A N THR 155.A OG1 no hydrogen 2.984 N/A ILE 160.A N LYS 156.A O no hydrogen 2.968 N/A ASN 161.A N ASP 157.A O no hydrogen 2.957 N/A ASN 161.A ND2 ASP 157.A OD1 no hydrogen 3.343 N/A GLU 162.A N VAL 158.A O no hydrogen 2.901 N/A LYS 163.A N VAL 159.A O no hydrogen 2.901 N/A THR 164.A N ILE 160.A O no hydrogen 2.967 N/A THR 164.A OG1 ILE 160.A O no hydrogen 2.844 N/A ALA 165.A N ASN 161.A O no hydrogen 2.960 N/A MET 166.A N GLU 162.A O no hydrogen 2.913 N/A ASP 167.A N LYS 163.A O no hydrogen 2.851 N/A ASP 168.A N THR 164.A O no hydrogen 3.007 N/A ASP 168.A N ALA 165.A O no hydrogen 3.261 N/A GLU 169.A N ALA 165.A O no hydrogen 2.921 N/A ILE 170.A N MET 166.A O no hydrogen 2.901 N/A ALA 172.A N ASP 168.A O no hydrogen 2.969 N/A LEU 173.A N GLU 169.A O no hydrogen 3.405 N/A VAL 174.A N GLN 71.A OE1 no hydrogen 2.997 N/A SER 176.A N ILE 183.A O no hydrogen 2.861 N/A SER 176.A OG ASP 75.A OD1 no hydrogen 3.132 N/A CYS 178.A N HIS 181.A O no hydrogen 2.933 N/A CYS 178.A SG ASN 79.A OD1 no hydrogen 3.088 N/A HIS 181.A N CYS 178.A O no hydrogen 2.887 N/A HIS 181.A NE2 GLN 92.A O no hydrogen 3.148 N/A ILE 183.A N SER 176.A O no hydrogen 2.885 N/A SER 184.A N LEU 96.A O no hydrogen 3.017 N/A MET 188.A N SER 100.A O no hydrogen 2.978 N/A THR 190.A N TRP 102.A O no hydrogen 3.148 N/A THR 190.A OG1 VAL 384.A O no hydrogen 3.554 N/A THR 190.A OG1 PRO 385.A O no hydrogen 2.904 N/A THR 190.A OG1 GLY 387.A O no hydrogen 2.504 N/A MET 191.A N TRP 102.A O no hydrogen 2.889 N/A ILE 192.A N THR 190.A O no hydrogen 2.920 N/A ILE 192.A N SER 388.A OG no hydrogen 3.271 N/A LYS 195.A NZ GLU 154.A OE1 no hydrogen 3.079 N/A CYS 197.A N ASP 193.A O no hydrogen 3.169 N/A CYS 197.A SG THR 233.A OG1 no hydrogen 3.035 N/A THR 198.A N GLY 194.A O no hydrogen 2.972 N/A THR 198.A OG1 LYS 195.A O no hydrogen 2.540 N/A TYR 199.A N LYS 195.A O no hydrogen 2.935 N/A LEU 200.A N ILE 196.A O no hydrogen 2.943 N/A SER 201.A N CYS 197.A O no hydrogen 2.891 N/A SER 201.A OG CYS 197.A O no hydrogen 2.220 N/A SER 201.A OG THR 198.A O no hydrogen 3.094 N/A SER 201.A OG GLU 202.A OE2 no hydrogen 2.489 N/A GLU 202.A N THR 198.A O no hydrogen 2.907 N/A ALA 208.A N ASN 206.A O no hydrogen 3.093 N/A CYS 209.A SG HIS 368.A NE2 no hydrogen 3.429 N/A CYS 212.A SG HIS 368.A NE2 no hydrogen 4.018 N/A CYS 212.A SG HIS 373.A NE2 no hydrogen 2.670 N/A LEU 213.A N TYR 210.A O no hydrogen 3.067 N/A SER 224.A OG SER 224.A O no hydrogen 2.314 N/A PHE 229.A N GLY 225.A O no hydrogen 2.939 N/A GLY 230.A N VAL 226.A O no hydrogen 2.952 N/A LEU 231.A N TYR 227.A O no hydrogen 2.916 N/A LEU 231.A N GLU 228.A O no hydrogen 3.088 N/A SER 232.A N GLU 228.A O no hydrogen 2.940 N/A THR 233.A OG1 PHE 229.A O no hydrogen 2.879 N/A ASN 238.A ND2 THR 366.A OG1 no hydrogen 2.491 N/A VAL 239.A N ALA 235.A O no hydrogen 2.646 N/A MET 240.A N ARG 236.A O no hydrogen 2.918 N/A GLU 241.A N ILE 237.A O no hydrogen 2.939 N/A CYS 242.A N ASN 238.A O no hydrogen 2.482 N/A CYS 242.A SG ASN 238.A O no hydrogen 3.320 N/A CYS 242.A SG SER 364.A OG no hydrogen 3.306 N/A LEU 243.A N VAL 239.A O no hydrogen 3.017 N/A HIS 245.A N GLU 241.A O no hydrogen 3.348 N/A HIS 245.A N CYS 242.A O no hydrogen 2.949 N/A HIS 245.A ND1 TYR 361.A OH no hydrogen 2.417 N/A ALA 247.A N LEU 243.A O no hydrogen 3.026 N/A TYR 248.A N LEU 244.A O no hydrogen 3.062 N/A TYR 248.A N HIS 245.A O no hydrogen 2.937 N/A ARG 249.A N HIS 245.A O no hydrogen 2.839 N/A ASP 251.A N ASP 251.A OD1 no hydrogen 2.474 N/A ARG 258.A N SER 256.A OG no hydrogen 2.960 N/A LEU 266.A N HIS 262.A O no hydrogen 2.867 N/A HIS 267.A N GLN 263.A O no hydrogen 2.823 N/A SER 268.A N GLU 264.A O no hydrogen 2.926 N/A SER 268.A OG GLU 264.A O no hydrogen 3.102 N/A SER 268.A OG LEU 265.A O no hydrogen 2.500 N/A ARG 269.A N LEU 265.A O no hydrogen 2.898 N/A LYS 270.A N LEU 266.A O no hydrogen 2.951 N/A LYS 270.A NZ HIS 267.A ND1 no hydrogen 2.835 N/A LYS 271.A N HIS 267.A O no hydrogen 2.857 N/A LYS 271.A NZ HIS 267.A O no hydrogen 3.217 N/A LEU 272.A N SER 268.A O no hydrogen 2.904 N/A ILE 273.A N ARG 269.A O no hydrogen 2.905 N/A GLN 274.A N LYS 270.A O no hydrogen 2.930 N/A ASP 275.A N LYS 271.A O no hydrogen 2.870 N/A ARG 276.A N LEU 272.A O no hydrogen 2.888 N/A PHE 277.A N ILE 273.A O no hydrogen 2.941 N/A LYS 278.A N GLN 274.A O no hydrogen 2.879 N/A ASP 279.A N ASP 275.A O no hydrogen 2.930 N/A ASP 279.A N ARG 276.A O no hydrogen 3.178 N/A ASP 280.A N ARG 276.A O no hydrogen 2.918 N/A LEU 281.A N PHE 277.A O no hydrogen 3.247 N/A LYS 289.A NZ THR 295.A O no hydrogen 3.014 N/A SER 292.A OG GLY 291.A O no hydrogen 2.622 N/A THR 294.A OG1 GLU 241.A OE1 no hydrogen 3.226 N/A THR 295.A OG1 GLY 293.A O no hydrogen 3.070 N/A THR 300.A OG1 ASP 297.A O no hydrogen 3.409 N/A ARG 302.A N GLY 298.A O no hydrogen 2.892 N/A ARG 303.A N ASN 299.A O no hydrogen 2.927 N/A PHE 304.A N THR 300.A O no hydrogen 2.897 N/A PHE 305.A N ALA 301.A O no hydrogen 3.213 N/A ALA 312.A N PRO 308.A O no hydrogen 2.939 N/A ALA 313.A N ASP 309.A O no hydrogen 2.880 N/A ILE 314.A N LYS 310.A O no hydrogen 2.960 N/A THR 315.A N THR 311.A O no hydrogen 2.865 N/A LEU 317.A N THR 315.A OG1 no hydrogen 2.929 N/A ASP 318.A N TYR 358.A OH no hydrogen 3.148 N/A ARG 323.A N GLU 319.A O no hydrogen 2.881 N/A ARG 324.A N ASP 320.A O no hydrogen 2.911 N/A ARG 324.A NH1 TYR 346.A OH no hydrogen 3.345 N/A PHE 325.A N LEU 321.A O no hydrogen 2.886 N/A SER 326.A N ILE 322.A O no hydrogen 2.872 N/A SER 326.A OG PHE 305.A O no hydrogen 2.801 N/A SER 326.A OG ILE 322.A O no hydrogen 3.368 N/A VAL 327.A N ARG 323.A O no hydrogen 2.917 N/A ILE 328.A N ARG 324.A O no hydrogen 2.924 N/A LEU 329.A N PHE 325.A O no hydrogen 2.933 N/A GLN 330.A N SER 326.A O no hydrogen 2.850 N/A ALA 331.A N VAL 327.A O no hydrogen 2.866 N/A ILE 332.A N ILE 328.A O no hydrogen 3.022 N/A THR 333.A N LEU 329.A O no hydrogen 2.890 N/A THR 333.A OG1 LEU 329.A O no hydrogen 2.985 N/A SER 334.A N ALA 331.A O no hydrogen 3.241 N/A SER 334.A OG TYR 448.A OH no hydrogen 2.692 N/A LYS 342.A NZ GLU 345.A OE1 no hydrogen 3.521 N/A PHE 343.A N ASP 339.A O no hydrogen 3.072 N/A LYS 344.A N VAL 340.A O no hydrogen 2.903 N/A GLU 345.A N PRO 341.A O no hydrogen 2.906 N/A TYR 346.A N LYS 342.A O no hydrogen 2.876 N/A ALA 347.A N PHE 343.A O no hydrogen 2.896 N/A ARG 348.A N LYS 344.A O no hydrogen 2.869 N/A THR 349.A N GLU 345.A O no hydrogen 2.916 N/A THR 349.A OG1 GLU 345.A O no hydrogen 2.587 N/A THR 349.A OG1 TYR 346.A O no hydrogen 2.995 N/A THR 350.A N TYR 346.A O no hydrogen 2.884 N/A THR 350.A OG1 TYR 346.A O no hydrogen 2.805 N/A ALA 351.A N ALA 347.A O no hydrogen 2.838 N/A GLU 352.A N ARG 348.A O no hydrogen 2.909 N/A LYS 353.A N THR 349.A O no hydrogen 2.864 N/A TYR 354.A N THR 350.A O no hydrogen 2.844 N/A VAL 355.A N ALA 351.A O no hydrogen 2.885 N/A GLU 356.A N GLU 352.A O no hydrogen 2.964 N/A LEU 357.A N LYS 353.A O no hydrogen 2.878 N/A LEU 357.A N TYR 354.A O no hydrogen 2.962 N/A TYR 358.A N TYR 354.A O no hydrogen 2.717 N/A TYR 361.A OH HIS 245.A ND1 no hydrogen 2.417 N/A TYR 361.A OH SER 364.A OG no hydrogen 3.405 N/A SER 364.A OG TYR 361.A OH no hydrogen 3.405 N/A HIS 368.A N SER 364.A O no hydrogen 2.604 N/A LYS 369.A N SER 365.A O no hydrogen 2.901 N/A LEU 370.A N THR 366.A O no hydrogen 2.928 N/A LEU 371.A N VAL 367.A O no hydrogen 2.933 N/A ILE 372.A N HIS 368.A O no hydrogen 3.207 N/A ILE 377.A N GLY 374.A O no hydrogen 3.381 N/A ALA 379.A N GLY 375.A O no hydrogen 2.939 N/A GLU 380.A N ASP 376.A O no hydrogen 2.880 N/A ALA 382.A N ILE 378.A O no hydrogen 2.697 N/A GLY 387.A N VAL 384.A O no hydrogen 2.320 N/A SER 388.A OG ILE 386.A O no hydrogen 3.301 N/A SER 388.A OG GLY 387.A O no hydrogen 2.565 N/A GLU 392.A N GLU 392.A OE2 no hydrogen 3.087 N/A ALA 393.A N SER 390.A OG no hydrogen 2.659 N/A SER 394.A N SER 390.A O no hydrogen 2.615 N/A GLU 395.A N GLU 391.A O no hydrogen 2.897 N/A ALA 396.A N GLU 392.A O no hydrogen 2.897 N/A ARG 397.A N ALA 393.A O no hydrogen 2.861 N/A ARG 397.A NH1 ASN 398.A OD1 no hydrogen 2.832 N/A ASN 398.A N SER 394.A O no hydrogen 2.893 N/A LYS 399.A N GLU 395.A O no hydrogen 2.925 N/A ASP 400.A N ALA 396.A O no hydrogen 2.778 N/A PHE 401.A N ARG 397.A O no hydrogen 2.935 N/A ARG 402.A N ASN 398.A O no hydrogen 2.956 N/A ARG 402.A NH2 SER 108.A O no hydrogen 3.019 N/A ARG 403.A N LYS 399.A O no hydrogen 2.864 N/A PHE 404.A N ASP 400.A O no hydrogen 2.881 N/A ARG 405.A N PHE 401.A O no hydrogen 2.878 N/A GLU 406.A N ARG 402.A O no hydrogen 2.964 N/A HIS 407.A N ARG 403.A O no hydrogen 2.531 N/A HIS 408.A N ARG 403.A O no hydrogen 3.220 N/A SER 409.A OG SER 417.A OG no hydrogen 2.485 N/A ARG 410.A NH1 ASP 420.A OD2 no hydrogen 3.254 N/A ARG 410.A NH2 GLU 419.A OE1 no hydrogen 2.535 N/A LYS 412.A N ARG 410.A O no hydrogen 2.969 N/A GLN 415.A NE2 VAL 61.A O no hydrogen 3.643 N/A SER 417.A OG SER 409.A OG no hydrogen 2.485 N/A GLU 419.A N GLN 415.A O no hydrogen 2.996 N/A ASP 420.A N ALA 416.A O no hydrogen 2.786 N/A ILE 421.A N SER 417.A O no hydrogen 3.002 N/A LEU 422.A N ASN 418.A O no hydrogen 2.990 N/A ASN 423.A N GLU 419.A O no hydrogen 2.884 N/A MET 424.A N ASP 420.A O no hydrogen 2.857 N/A LEU 425.A N ILE 421.A O no hydrogen 2.891 N/A ILE 426.A N LEU 422.A O no hydrogen 3.026 N/A ILE 426.A N ASN 423.A O no hydrogen 2.744 N/A ILE 427.A N ASN 423.A O no hydrogen 2.829 N/A SER 428.A N MET 424.A O no hydrogen 2.889 N/A SER 429.A N ILE 426.A O no hydrogen 2.837 N/A SER 429.A OG LEU 425.A O no hydrogen 3.505 N/A SER 429.A OG ILE 426.A O no hydrogen 2.495 N/A ASP 430.A N ILE 427.A O no hydrogen 2.809 N/A ILE 433.A N ASP 430.A O no hydrogen 3.101 N/A THR 436.A N SER 15.A OG no hydrogen 2.875 N/A GLN 446.A NE2 PRO 464.A O no hydrogen 3.305 N/A GLN 446.A NE2 PHE 467.A O no hydrogen 3.196 N/A TYR 448.A OH GLN 446.A OE1 no hydrogen 2.334 N/A LEU 455.A N THR 452.A O no hydrogen 2.442 N/A LEU 456.A N THR 452.A O no hydrogen 3.113 N/A GLN 459.A N GLN 457.A O no hydrogen 2.868 N/A THR 465.A OG1 GLU 391.A OE1 no hydrogen 3.075 N/A