Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xrm_Z.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A N VAL 52.A O no hydrogen 2.709 N/A THR 6.A N GLN 78.A O no hydrogen 3.244 N/A VAL 7.A N ILE 50.A O no hydrogen 2.816 N/A CYS 9.A N GLY 48.A O no hydrogen 2.451 N/A CYS 9.A SG LYS 10.A O no hydrogen 3.760 N/A CYS 9.A SG THR 17.A OG1 no hydrogen 3.441 N/A CYS 9.A SG ASN 69.A O no hydrogen 3.984 N/A GLY 12.A N GLU 14.A OE2 no hydrogen 3.235 N/A GLU 13.A N LYS 10.A O no hydrogen 3.363 N/A GLU 14.A N GLU 14.A OE1 no hydrogen 2.800 N/A ARG 15.A NH2 GLU 44.A OE1 no hydrogen 3.433 N/A THR 17.A N GLU 13.A O no hydrogen 3.060 N/A THR 17.A OG1 GLU 13.A O no hydrogen 3.151 N/A ALA 18.A N GLU 14.A O no hydrogen 2.949 N/A ILE 19.A N ARG 15.A O no hydrogen 3.200 N/A SER 20.A N ALA 16.A O no hydrogen 2.894 N/A LEU 21.A N THR 17.A O no hydrogen 2.765 N/A MET 22.A N ALA 18.A O no hydrogen 3.076 N/A ARG 23.A N ILE 19.A O no hydrogen 2.975 N/A LYS 24.A N SER 20.A O no hydrogen 3.053 N/A LYS 24.A NZ ALA 63.A O no hydrogen 3.495 N/A PHE 25.A N LEU 21.A O no hydrogen 2.972 N/A ILE 26.A N MET 22.A O no hydrogen 3.024 N/A ALA 27.A N ARG 23.A O no hydrogen 3.029 N/A TYR 28.A N LYS 24.A O no hydrogen 2.823 N/A GLN 29.A N PHE 25.A O no hydrogen 2.744 N/A THR 31.A N TYR 28.A O no hydrogen 3.067 N/A THR 31.A OG1 TYR 28.A O no hydrogen 2.692 N/A LYS 38.A N GLU 53.A O no hydrogen 2.590 N/A SER 39.A OG GLU 53.A OE1 no hydrogen 2.521 N/A VAL 41.A N TYR 51.A O no hydrogen 2.942 N/A GLY 48.A N GLU 14.A OE2 no hydrogen 2.808 N/A TYR 49.A OH TYR 51.A OH no hydrogen 3.069 N/A ILE 50.A N VAL 7.A O no hydrogen 2.873 N/A TYR 51.A N VAL 41.A O no hydrogen 3.102 N/A VAL 52.A N TRP 5.A O no hydrogen 2.733 N/A GLU 53.A N SER 39.A O no hydrogen 2.837 N/A ALA 54.A N ASN 3.A O no hydrogen 2.808 N/A GLN 57.A NE2 GLN 77.A OE1 no hydrogen 2.639 N/A VAL 60.A N LYS 56.A O no hydrogen 3.356 N/A LYS 61.A N GLN 57.A O no hydrogen 2.850 N/A GLN 62.A N THR 58.A O no hydrogen 2.900 N/A ALA 63.A N HIS 59.A O no hydrogen 2.814 N/A ILE 64.A N VAL 60.A O no hydrogen 2.944 N/A GLU 65.A N GLN 62.A O no hydrogen 3.223 N/A VAL 67.A N ILE 64.A O no hydrogen 3.163 N/A LEU 70.A N VAL 67.A O no hydrogen 3.363 N/A ARG 71.A N GLY 68.A O no hydrogen 3.314 N/A GLN 77.A NE2 GLY 73.A O no hydrogen 2.694 N/A GLN 77.A NE2 TYR 74.A O no hydrogen 2.900 N/A VAL 80.A N LEU 4.A O no hydrogen 3.079 N/A GLU 84.A N PRO 81.A O no hydrogen 3.135 N/A MET 85.A N ILE 82.A O no hydrogen 2.903 N/A ASP 87.A N GLU 84.A O no hydrogen 2.925 N/A VAL 88.A N MET 85.A O no hydrogen 3.070 N/A LYS 90.A NZ ASP 87.A OD1 no hydrogen 2.803 N/A LYS 97.A N SER 100.A OG no hydrogen 3.414 N/A LYS 99.A N VAL 116.A O no hydrogen 2.635 N/A LYS 99.A NZ ASP 117.A OD1 no hydrogen 3.425 N/A SER 100.A N LYS 97.A O no hydrogen 3.275 N/A SER 100.A OG LYS 97.A O no hydrogen 2.414 N/A VAL 102.A N ALA 114.A O no hydrogen 2.760 N/A ARG 103.A N ILE 189.A O no hydrogen 3.393 N/A ARG 103.A NE ASP 111.A O no hydrogen 3.526 N/A ARG 103.A NH2 ASP 111.A O no hydrogen 3.494 N/A LYS 105.A N ALA 187.A O no hydrogen 2.706 N/A LYS 105.A NZ SER 186.A O no hydrogen 2.659 N/A ARG 106.A NH1 LYS 105.A O no hydrogen 3.228 N/A LYS 110.A N GLY 107.A O no hydrogen 3.159 N/A ASP 111.A N LEU 104.A O no hydrogen 2.821 N/A ASP 112.A N TYR 109.A O no hydrogen 3.278 N/A ALA 114.A N VAL 102.A O no hydrogen 2.765 N/A GLN 115.A N LYS 129.A O no hydrogen 3.019 N/A GLN 115.A NE2 LYS 99.A O no hydrogen 3.504 N/A VAL 116.A N SER 100.A O no hydrogen 2.376 N/A TYR 118.A N SER 127.A O no hydrogen 3.123 N/A SER 122.A OG ASN 124.A OD1 no hydrogen 2.797 N/A GLN 123.A N GLU 120.A O no hydrogen 3.169 N/A GLN 123.A NE2 GLU 120.A O no hydrogen 2.905 N/A THR 125.A N GLU 120.A OE1 no hydrogen 2.948 N/A THR 125.A OG1 GLU 120.A OE1 no hydrogen 2.618 N/A ILE 126.A N PHE 183.A O no hydrogen 2.880 N/A SER 127.A N TYR 118.A O no hydrogen 2.885 N/A LEU 128.A N LYS 181.A O no hydrogen 2.749 N/A LYS 129.A N GLN 115.A O no hydrogen 2.802 N/A MET 130.A N LEU 179.A O no hydrogen 2.895 N/A ARG 133.A NH1 PRO 142.A O no hydrogen 3.163 N/A ARG 138.A N ASP 135.A O no hydrogen 3.055 N/A LYS 140.A N ASP 135.A OD2 no hydrogen 2.679 N/A ARG 145.A N PRO 132.A O no hydrogen 2.929 N/A PHE 147.A N GLY 177.A O no hydrogen 2.825 N/A ASP 148.A N TYR 136.A OH no hydrogen 2.802 N/A ILE 152.A N ASP 148.A O no hydrogen 3.151 N/A ARG 153.A N ALA 149.A O no hydrogen 2.944 N/A SER 154.A N GLU 150.A O no hydrogen 2.860 N/A LEU 155.A N LYS 151.A O no hydrogen 2.903 N/A GLY 156.A N ILE 152.A O no hydrogen 3.253 N/A SER 161.A OG PHE 165.A O no hydrogen 3.162 N/A ASP 162.A N PHE 165.A O no hydrogen 2.966 N/A GLY 163.A N SER 161.A OG no hydrogen 3.140 N/A LEU 166.A N SER 174.A O no hydrogen 2.916 N/A ILE 167.A N ALA 160.A O no hydrogen 2.712 N/A PHE 168.A N ARG 172.A O no hydrogen 2.995 N/A GLU 169.A N ASP 158.A O no hydrogen 2.983 N/A GLY 170.A N ASP 158.A OD2 no hydrogen 2.847 N/A ARG 172.A N PHE 168.A O no hydrogen 2.823 N/A SER 174.A N LEU 166.A O no hydrogen 3.009 N/A SER 174.A OG PHE 178.A O no hydrogen 3.345 N/A ARG 175.A N PHE 178.A O no hydrogen 2.615 N/A LYS 176.A N ASP 164.A O no hydrogen 3.394 N/A LYS 176.A NZ ASP 164.A OD2 no hydrogen 2.506 N/A PHE 178.A N ARG 175.A O no hydrogen 2.923 N/A LEU 179.A N MET 130.A O no hydrogen 2.803 N/A PHE 180.A N TYR 173.A O no hydrogen 3.006 N/A LYS 181.A N LEU 128.A O no hydrogen 3.057 N/A LYS 181.A NZ ASN 171.A O no hydrogen 2.971 N/A PHE 183.A N ILE 126.A O no hydrogen 2.827 N/A ALA 187.A N ALA 184.A O no hydrogen 3.050 N/A ILE 189.A N ARG 103.A O no hydrogen 2.953 N/A THR 196.A OG1 SER 198.A OG no hydrogen 2.996 N/A SER 198.A OG THR 196.A OG1 no hydrogen 2.996 N/A LEU 200.A N THR 196.A O no hydrogen 2.900 N/A GLU 201.A N LEU 197.A O no hydrogen 2.831 N/A LYS 202.A N SER 198.A O no hydrogen 2.827 N/A LYS 202.A NZ GLN 144.A OE1 no hydrogen 3.016 N/A PHE 203.A N GLU 199.A O no hydrogen 2.808 N/A GLN 208.A NE2 ASN 206.A OD1 no hydrogen 3.281 N/A GLY 210.A N ILE 227.A O no hydrogen 2.672 N/A ASP 211.A N GLN 208.A O no hydrogen 3.315 N/A VAL 213.A N GLY 225.A O no hydrogen 2.960 N/A GLU 214.A N ARG 256.A O no hydrogen 2.972 N/A VAL 215.A N LEU 223.A O no hydrogen 3.238 N/A CYS 216.A N GLU 254.A O no hydrogen 2.723 N/A CYS 216.A SG GLN 253.A O no hydrogen 3.293 N/A GLU 219.A N GLU 219.A OE1 no hydrogen 2.660 N/A ILE 221.A N GLY 218.A O no hydrogen 3.025 N/A GLY 225.A N VAL 213.A O no hydrogen 3.005 N/A ILE 227.A N ASP 211.A O no hydrogen 2.621 N/A GLY 232.A N ASP 231.A OD1 no hydrogen 2.815 N/A THR 236.A OG1 ILE 235.A O no hydrogen 2.633 N/A GLU 242.A N GLN 224.A O no hydrogen 3.329 N/A LEU 244.A N HIS 241.A O no hydrogen 3.117 N/A LEU 255.A N ALA 252.A O no hydrogen 3.254 N/A ARG 256.A N GLU 214.A O no hydrogen 2.802 N/A LYS 257.A NZ ASN 206.A O no hydrogen 3.394 N/A LYS 257.A NZ ASP 211.A OD2 no hydrogen 3.190 N/A LYS 257.A NZ LEU 305.A O no hydrogen 2.904 N/A TYR 258.A N ASN 212.A O no hydrogen 3.175 N/A VAL 265.A N GLY 277.A O no hydrogen 2.972 N/A LYS 266.A N GLN 306.A O no hydrogen 2.852 N/A LYS 266.A NZ THR 276.A OG1 no hydrogen 2.958 N/A LYS 266.A NZ CYS 308.A O no hydrogen 2.648 N/A LYS 266.A NZ GLU 310.A O no hydrogen 2.596 N/A VAL 267.A N ASP 275.A O no hydrogen 2.794 N/A ILE 268.A N ASP 304.A O no hydrogen 2.757 N/A GLY 270.A N GLU 273.A OE1 no hydrogen 3.327 N/A GLU 273.A N GLY 270.A O no hydrogen 3.061 N/A GLY 274.A N VAL 267.A O no hydrogen 2.762 N/A THR 276.A OG1 VAL 265.A O no hydrogen 2.590 N/A GLY 277.A N VAL 265.A O no hydrogen 3.114 N/A VAL 280.A N ILE 288.A O no hydrogen 2.966 N/A ARG 281.A N ILE 288.A O no hydrogen 3.349 N/A GLU 283.A N PHE 286.A O no hydrogen 2.879 N/A VAL 287.A N VAL 300.A O no hydrogen 3.085 N/A ILE 288.A N ARG 281.A O no hydrogen 3.102 N/A LEU 289.A N LEU 298.A O no hydrogen 2.599 N/A PHE 290.A N LEU 278.A O no hydrogen 3.492 N/A SER 291.A N HIS 296.A O no hydrogen 3.399 N/A SER 291.A OG ASP 275.A OD2 no hydrogen 3.348 N/A ASP 292.A N THR 276.A O no hydrogen 3.326 N/A THR 294.A N SER 291.A OG no hydrogen 3.004 N/A LEU 298.A N LEU 289.A O no hydrogen 2.440 N/A VAL 300.A N VAL 287.A O no hydrogen 2.749 N/A ARG 303.A NH1 ASP 304.A OD1 no hydrogen 2.710 N/A ASP 304.A N LEU 301.A O no hydrogen 3.312 N/A LEU 305.A N PRO 302.A O no hydrogen 3.370 N/A GLN 306.A N LYS 266.A O no hydrogen 2.836 N/A CYS 308.A SG LEU 307.A O no hydrogen 3.253 N/A CYS 308.A SG GLU 310.A OE2 no hydrogen 3.673 N/A GLU 310.A N GLU 310.A OE1 no hydrogen 2.780 N/A GLY 321.A N ILE 334.A O no hydrogen 2.720 N/A VAL 324.A N GLY 332.A O no hydrogen 2.471 N/A GLN 325.A N THR 360.A O no hydrogen 3.221 N/A GLN 325.A NE2 ASP 327.A O no hydrogen 2.730 N/A LEU 326.A N THR 330.A O no hydrogen 3.190 N/A ASP 327.A N THR 330.A O no hydrogen 3.226 N/A GLN 329.A N ASP 327.A OD1 no hydrogen 2.853 N/A THR 330.A N ASP 327.A O no hydrogen 3.239 N/A THR 330.A N ASP 327.A OD1 no hydrogen 2.649 N/A THR 330.A OG1 ASP 327.A OD1 no hydrogen 2.826 N/A THR 330.A OG1 ASP 327.A OD2 no hydrogen 2.841 N/A GLY 332.A N VAL 324.A O no hydrogen 2.886 N/A VAL 333.A N LEU 345.A O no hydrogen 2.907 N/A ILE 334.A N GLU 322.A O no hydrogen 2.916 N/A VAL 335.A N GLN 343.A O no hydrogen 2.779 N/A ARG 336.A NH2 ALA 312.A O no hydrogen 3.314 N/A GLU 338.A N THR 341.A O no hydrogen 3.038 N/A THR 341.A OG1 GLU 338.A OE1 no hydrogen 2.563 N/A PHE 342.A N VAL 354.A O no hydrogen 2.680 N/A GLN 343.A N ARG 336.A O no hydrogen 3.195 N/A VAL 344.A N VAL 352.A O no hydrogen 3.181 N/A LEU 345.A N VAL 333.A O no hydrogen 2.908 N/A ASN 346.A N LYS 350.A O no hydrogen 3.476 N/A GLY 349.A N ASN 346.A O no hydrogen 2.770 N/A LYS 350.A N ASN 346.A OD1 no hydrogen 2.836 N/A VAL 354.A N PHE 342.A O no hydrogen 3.285 N/A HIS 356.A N GLU 340.A O no hydrogen 3.238 N/A GLN 357.A N GLN 357.A OE1 no hydrogen 2.852 N/A ALA 358.A N ARG 355.A O no hydrogen 3.261 N/A ARG 361.A NH2 GLU 322.A OE2 no hydrogen 2.793 N/A ASP 368.A N ASN 372.A O no hydrogen 3.125 N/A SER 369.A N LEU 423.A O no hydrogen 2.727 N/A SER 369.A OG LEU 423.A O no hydrogen 2.675 N/A GLN 371.A N ASP 368.A O no hydrogen 2.735 N/A ASN 372.A N ASP 368.A OD1 no hydrogen 2.503 N/A ASN 372.A ND2 ASP 368.A OD2 no hydrogen 3.483 N/A ASN 372.A ND2 GLU 370.A OE1 no hydrogen 3.002 N/A HIS 375.A N ASP 378.A OD2 no hydrogen 2.842 N/A HIS 375.A ND1 ASP 378.A OD2 no hydrogen 3.008 N/A LYS 377.A N ILE 394.A O no hydrogen 2.660 N/A LYS 377.A NZ GLU 393.A OE2 no hydrogen 2.762 N/A ASP 378.A N HIS 375.A O no hydrogen 3.243 N/A LYS 381.A N VAL 424.A O no hydrogen 3.043 N/A VAL 382.A N ARG 390.A O no hydrogen 2.790 N/A ASP 384.A N HIS 422.A O no hydrogen 3.043 N/A HIS 387.A NE2 GLY 349.A O no hydrogen 2.654 N/A SER 388.A N GLY 385.A O no hydrogen 3.175 N/A SER 388.A OG VAL 382.A O no hydrogen 3.155 N/A SER 388.A OG ILE 383.A O no hydrogen 2.448 N/A GLY 389.A N VAL 382.A O no hydrogen 2.362 N/A GLU 393.A N HIS 405.A O no hydrogen 2.751 N/A ARG 395.A N PHE 403.A O no hydrogen 2.822 N/A ARG 395.A NE GLU 393.A O no hydrogen 3.234 N/A HIS 396.A N PHE 403.A O no hydrogen 3.450 N/A PHE 398.A N PHE 401.A O no hydrogen 3.107 N/A ALA 402.A N CYS 418.A O no hydrogen 3.070 N/A PHE 403.A N HIS 396.A O no hydrogen 3.046 N/A LEU 404.A N PHE 416.A O no hydrogen 2.711 N/A HIS 405.A N GLU 393.A O no hydrogen 2.742 N/A CYS 406.A N GLY 414.A O no hydrogen 2.769 N/A CYS 406.A SG GLU 391.A O no hydrogen 3.148 N/A ASN 412.A ND2 VAL 344.A O no hydrogen 3.158 N/A GLY 414.A N GLU 411.A O no hydrogen 2.774 N/A MET 415.A N ASN 412.A O no hydrogen 3.290 N/A PHE 416.A N LEU 404.A O no hydrogen 2.649 N/A CYS 418.A N ALA 402.A O no hydrogen 3.148 N/A HIS 422.A N LYS 419.A O no hydrogen 2.946 N/A LEU 423.A N THR 420.A O no hydrogen 3.445 N/A VAL 424.A N LYS 381.A O no hydrogen 3.344 N/A LEU 425.A N ASP 368.A OD2 no hydrogen 3.216 N/A GLU 428.A N ASN 427.A OD1 no hydrogen 2.571 N/A GLY 431.A N VAL 448.A O no hydrogen 3.035 N/A GLN 432.A N LEU 429.A O no hydrogen 3.067 N/A VAL 434.A N GLY 446.A O no hydrogen 2.988 N/A ARG 435.A N THR 475.A O no hydrogen 2.862 N/A ILE 436.A N TYR 444.A O no hydrogen 2.977 N/A SER 437.A N ARG 473.A O no hydrogen 2.971 N/A LYS 442.A N GLY 439.A O no hydrogen 3.102 N/A GLY 443.A N ILE 436.A O no hydrogen 2.965 N/A TYR 444.A N TYR 441.A O no hydrogen 3.197 N/A GLY 446.A N VAL 434.A O no hydrogen 3.021 N/A VAL 447.A N GLU 459.A O no hydrogen 3.016 N/A LYS 449.A N ARG 457.A O no hydrogen 2.817 N/A THR 452.A N THR 455.A O no hydrogen 2.767 N/A THR 452.A OG1 THR 455.A O no hydrogen 2.714 N/A THR 455.A N THR 452.A OG1 no hydrogen 3.192 N/A THR 455.A OG1 VAL 469.A O no hydrogen 2.767 N/A ALA 456.A N VAL 469.A O no hydrogen 2.955 N/A ARG 457.A N ASP 450.A O no hydrogen 2.626 N/A VAL 458.A N ILE 467.A O no hydrogen 2.858 N/A GLU 459.A N VAL 447.A O no hydrogen 2.860 N/A LEU 460.A N GLN 465.A O no hydrogen 3.270 N/A HIS 461.A N ILE 445.A O no hydrogen 3.151 N/A ILE 467.A N VAL 458.A O no hydrogen 2.933 N/A VAL 469.A N ALA 456.A O no hydrogen 2.945 N/A ARG 471.A NH1 THR 452.A O no hydrogen 3.307 N/A ARG 473.A N ASP 470.A O no hydrogen 3.281 N/A LEU 474.A N ARG 471.A O no hydrogen 3.311 N/A THR 475.A N ARG 435.A O no hydrogen 2.940 N/A VAL 477.A N THR 433.A O no hydrogen 3.053 N/A