Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3shm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ASN 98.A OD1 no hydrogen 2.941 N/A SER 5.A OG ASN 188.A O no hydrogen 2.895 N/A CYS 10.A SG THR 22.A O no hydrogen 3.317 N/A ASP 11.A N THR 22.A O no hydrogen 2.926 N/A ASP 11.A N THR 22.A OG1 no hydrogen 2.787 N/A SER 12.A OG ASP 76.A OD2 no hydrogen 3.041 N/A THR 13.A N ILE 20.A O no hydrogen 2.957 N/A LEU 15.A N ARG 18.A O no hydrogen 2.712 N/A ARG 18.A N LEU 15.A O no hydrogen 2.741 N/A VAL 19.A N TRP 465.A O no hydrogen 2.903 N/A ILE 20.A N THR 13.A O no hydrogen 2.967 N/A THR 21.A N ILE 463.A O no hydrogen 2.972 N/A THR 21.A OG1 ILE 463.A O no hydrogen 3.512 N/A THR 22.A N ASP 11.A O no hydrogen 2.886 N/A THR 22.A OG1 ASP 11.A O no hydrogen 2.940 N/A SER 23.A N VAL 461.A O no hydrogen 2.911 N/A SER 23.A OG CYS 70.A O no hydrogen 2.706 N/A THR 24.A OG1 HIS 9.A O no hydrogen 2.551 N/A THR 24.A OG1 SER 460.A OG no hydrogen 2.969 N/A ARG 25.A N VAL 459.A O no hydrogen 3.174 N/A ARG 25.A NE PRO 144.A O no hydrogen 2.733 N/A ARG 25.A NH1 THR 24.A O no hydrogen 2.836 N/A ARG 25.A NH2 PRO 144.A O no hydrogen 3.365 N/A TRP 27.A N GLY 457.A O no hydrogen 2.725 N/A TRP 27.A NE1 GLN 458.A O no hydrogen 2.604 N/A ALA 28.A N PHE 151.A O no hydrogen 3.017 N/A LEU 29.A N SER 455.A O no hydrogen 2.801 N/A THR 31.A OG1 GLN 453.A O no hydrogen 3.108 N/A TYR 32.A OH ILE 153.A O no hydrogen 2.720 N/A HIS 35.A N TYR 32.A O no hydrogen 3.154 N/A TYR 37.A OH GLU 177.A OE2 no hydrogen 3.098 N/A LYS 38.A N SER 57.A O no hydrogen 3.023 N/A ILE 40.A N GLY 55.A O no hydrogen 3.085 N/A SER 42.A N TYR 53.A O no hydrogen 3.122 N/A SER 42.A OG HIS 52.A ND1 no hydrogen 2.532 N/A SER 42.A OG SER 165.A OG no hydrogen 2.187 N/A ALA 43.A N SER 41.A OG no hydrogen 3.383 N/A GLY 46.A N THR 45.A OG1 no hydrogen 2.555 N/A ASN 51.A N SER 48.A O no hydrogen 2.892 N/A HIS 52.A ND1 SER 42.A OG no hydrogen 2.532 N/A TYR 53.A N SER 42.A OG no hydrogen 3.219 N/A GLY 55.A N ILE 40.A O no hydrogen 2.982 N/A TYR 56.A N TYR 158.A O no hydrogen 3.123 N/A SER 57.A N LYS 38.A O no hydrogen 2.752 N/A SER 57.A OG ASN 33.A OD1 no hydrogen 2.966 N/A THR 58.A N TYR 156.A O no hydrogen 3.282 N/A THR 58.A OG1 TYR 156.A O no hydrogen 2.718 N/A TRP 60.A NE1 GLU 177.A OE2 no hydrogen 2.523 N/A GLY 61.A N ILE 429.A O no hydrogen 2.727 N/A TYR 62.A N PRO 154.A O no hydrogen 3.014 N/A PHE 63.A N ILE 427.A O no hydrogen 3.019 N/A ASN 66.A N ASP 64.A OD1 no hydrogen 2.766 N/A ASN 66.A ND2 LEU 135.A O no hydrogen 3.144 N/A ASN 66.A ND2 TRP 399.A O no hydrogen 2.946 N/A ARG 67.A NE HIS 69.A NE2 no hydrogen 2.739 N/A PHE 68.A N GLY 396.A O no hydrogen 3.125 N/A HIS 69.A ND1 GLU 503.A OE2 no hydrogen 2.889 N/A CYS 70.A N ARG 67.A O no hydrogen 2.898 N/A CYS 70.A SG LEU 143.A O no hydrogen 3.133 N/A HIS 71.A N PHE 68.A O no hydrogen 2.884 N/A HIS 71.A NE2 PHE 65.A O no hydrogen 3.083 N/A PHE 72.A N PHE 68.A O no hydrogen 3.195 N/A SER 73.A N ASP 76.A OD2 no hydrogen 3.358 N/A SER 73.A OG ASP 76.A OD2 no hydrogen 2.585 N/A ASP 76.A N SER 73.A OG no hydrogen 3.161 N/A TRP 77.A N SER 73.A O no hydrogen 2.598 N/A GLN 78.A N PRO 74.A O no hydrogen 2.965 N/A ARG 79.A N ARG 75.A O no hydrogen 2.932 N/A LEU 80.A N ASP 76.A O no hydrogen 2.955 N/A ILE 81.A N TRP 77.A O no hydrogen 3.210 N/A ASN 82.A N GLN 78.A O no hydrogen 2.974 N/A ASN 83.A ND2 ARG 79.A O no hydrogen 3.376 N/A ASN 84.A ND2 ARG 79.A O no hydrogen 3.616 N/A ASN 84.A ND2 LEU 80.A O no hydrogen 2.989 N/A TRP 85.A N GLN 468.A O no hydrogen 3.059 N/A ARG 88.A N GLU 466.A O no hydrogen 2.902 N/A LYS 90.A NZ GLU 466.A OE2 no hydrogen 2.172 N/A ARG 91.A NE GLU 464.A OE1 no hydrogen 3.004 N/A ARG 91.A NH2 GLU 464.A OE2 no hydrogen 2.581 N/A LEU 92.A N TYR 194.A O no hydrogen 2.786 N/A ASN 93.A N GLU 462.A O no hydrogen 2.800 N/A PHE 94.A N PHE 192.A O no hydrogen 2.663 N/A LYS 95.A N SER 460.A O no hydrogen 2.816 N/A LEU 96.A N PHE 190.A O no hydrogen 2.668 N/A ASN 98.A ND2 GLY 6.A O no hydrogen 3.529 N/A GLN 100.A N THR 456.A O no hydrogen 2.685 N/A LYS 102.A N TYR 454.A O no hydrogen 2.681 N/A GLU 103.A N ALA 114.A O no hydrogen 2.582 N/A VAL 104.A N THR 452.A O no hydrogen 3.206 N/A THR 105.A N THR 112.A O no hydrogen 3.148 N/A THR 106.A OG1 VAL 110.A O no hydrogen 3.258 N/A ASN 107.A N VAL 110.A O no hydrogen 2.717 N/A VAL 110.A N ASN 107.A O no hydrogen 2.798 N/A THR 112.A N THR 105.A O no hydrogen 3.070 N/A ALA 114.A N GLU 103.A O no hydrogen 2.606 N/A ASN 116.A N VAL 101.A O no hydrogen 3.288 N/A ASN 116.A ND2 ASN 116.A O no hydrogen 2.974 N/A THR 120.A OG1 THR 432.A OG1 no hydrogen 3.045 N/A VAL 121.A N LEU 184.A O no hydrogen 2.926 N/A GLN 122.A N LYS 430.A O no hydrogen 2.700 N/A VAL 123.A N GLN 182.A O no hydrogen 3.042 N/A PHE 124.A N LEU 428.A O no hydrogen 3.120 N/A SER 125.A OG SER 127.A OG no hydrogen 3.108 N/A ASP 126.A N GLN 426.A O no hydrogen 2.974 N/A SER 127.A N SER 125.A O no hydrogen 2.720 N/A SER 127.A OG SER 125.A OG no hydrogen 3.108 N/A TYR 129.A N ASP 126.A O no hydrogen 3.306 N/A TYR 129.A OH PRO 423.A O no hydrogen 2.501 N/A GLN 130.A N ASP 126.A OD1 no hydrogen 2.993 N/A LEU 131.A N ASP 126.A OD2 no hydrogen 2.890 N/A TYR 133.A OH PRO 424.A O no hydrogen 2.759 N/A CYS 142.A SG ASP 64.A OD2 no hydrogen 2.984 N/A CYS 142.A SG HIS 139.A O no hydrogen 3.941 N/A LEU 143.A N ASP 64.A O no hydrogen 3.325 N/A ASP 149.A N PHE 146.A O no hydrogen 3.015 N/A PHE 151.A N THR 26.A O no hydrogen 3.288 N/A ILE 153.A N ALA 28.A O no hydrogen 3.057 N/A TYR 156.A N TRP 60.A O no hydrogen 2.860 N/A TYR 156.A OH PRO 132.A O no hydrogen 2.553 N/A TYR 158.A OH TYR 174.A O no hydrogen 2.856 N/A THR 160.A N PHE 54.A O no hydrogen 2.924 N/A ASN 162.A ND2 THR 160.A O no hydrogen 3.388 N/A ASN 163.A N GLN 166.A O no hydrogen 2.547 N/A SER 165.A OG SER 42.A OG no hydrogen 2.187 N/A SER 165.A OG HIS 52.A ND1 no hydrogen 2.443 N/A VAL 168.A N SER 171.A OG no hydrogen 3.279 N/A SER 171.A OG LEU 161.A O no hydrogen 2.713 N/A SER 172.A N THR 160.A OG1 no hydrogen 2.987 N/A TYR 174.A N TYR 158.A OH no hydrogen 2.710 N/A TYR 178.A N CYS 175.A O no hydrogen 3.001 N/A PHE 179.A N LEU 176.A O no hydrogen 3.414 N/A GLN 182.A N VAL 123.A O no hydrogen 2.834 N/A LEU 184.A N VAL 121.A O no hydrogen 3.114 N/A ARG 185.A N ASN 188.A OD1 no hydrogen 2.463 N/A THR 186.A OG1 ILE 99.A O no hydrogen 3.118 N/A ASN 188.A N ARG 185.A O no hydrogen 3.044 N/A ASN 189.A ND2 SER 5.A O no hydrogen 3.557 N/A PHE 190.A N LEU 96.A O no hydrogen 2.717 N/A THR 191.A OG1 PHE 94.A O no hydrogen 3.553 N/A PHE 192.A N PHE 94.A O no hydrogen 2.851 N/A TYR 194.A N LEU 92.A O no hydrogen 2.865 N/A TYR 194.A OH HIS 422.A O no hydrogen 2.479 N/A PHE 196.A N LYS 90.A O no hydrogen 2.841 N/A HIS 202.A N PHE 87.A O no hydrogen 3.150 N/A HIS 202.A NE2 ASP 391.A OD1 no hydrogen 3.027 N/A HIS 202.A NE2 THR 509.A OG1 no hydrogen 2.836 N/A SER 203.A OG GLN 388.A OE1 no hydrogen 3.431 N/A SER 204.A N TRP 85.A O no hydrogen 3.073 N/A ALA 206.A N LEU 512.A O no hydrogen 2.697 N/A SER 208.A N ARG 514.A O no hydrogen 3.152 N/A SER 210.A OG ASP 212.A OD1 no hydrogen 2.809 N/A LEU 211.A N ALA 348.A O no hydrogen 2.867 N/A ARG 213.A N SER 210.A O no hydrogen 2.527 N/A ILE 219.A N ASN 216.A O no hydrogen 3.436 N/A GLN 221.A N GLY 246.A O no hydrogen 3.325 N/A TYR 225.A N SER 244.A O no hydrogen 2.977 N/A ASN 227.A N LEU 242.A O no hydrogen 2.725 N/A ARG 228.A N LEU 242.A O no hydrogen 3.293 N/A ASN 231.A ND2 ASP 240.A OD2 no hydrogen 2.374 N/A SER 235.A OG SER 235.A O no hydrogen 2.606 N/A GLN 237.A N SER 235.A O no hydrogen 2.391 N/A ASN 238.A N GLN 230.A O no hydrogen 3.416 N/A LEU 242.A N ARG 228.A O no hydrogen 3.038 N/A SER 244.A N TYR 225.A O no hydrogen 2.987 N/A ARG 245.A NH1 TYR 224.A OH no hydrogen 2.821 N/A GLY 250.A N SER 247.A O no hydrogen 2.817 N/A GLN 254.A N MET 251.A O no hydrogen 3.260 N/A LYS 256.A NZ ASP 212.A O no hydrogen 3.044 N/A LEU 259.A N GLY 384.A O no hydrogen 2.971 N/A GLY 261.A N THR 349.A O no hydrogen 3.224 N/A ARG 265.A N HIS 377.A O no hydrogen 2.900 N/A ARG 265.A NE THR 354.A O no hydrogen 2.411 N/A ARG 265.A NH1 HIS 377.A ND1 no hydrogen 2.938 N/A GLN 266.A N ALA 353.A O no hydrogen 2.694 N/A GLN 266.A NE2 ILE 298.A O no hydrogen 3.292 N/A GLN 266.A NE2 SER 318.A O no hydrogen 3.050 N/A VAL 269.A N PHE 315.A O no hydrogen 3.131 N/A SER 270.A N ASN 276.A OD1 no hydrogen 3.152 N/A SER 270.A OG THR 272.A OG1 no hydrogen 3.035 N/A LYS 271.A N LYS 313.A O no hydrogen 3.110 N/A THR 272.A N SER 270.A OG no hydrogen 3.366 N/A THR 272.A OG1 SER 270.A OG no hydrogen 3.035 N/A ASP 275.A N THR 272.A O no hydrogen 2.678 N/A ASN 276.A N LYS 273.A O no hydrogen 2.818 N/A ASN 276.A ND2 SER 270.A O no hydrogen 3.153 N/A SER 279.A OG ASN 278.A O no hydrogen 2.127 N/A GLY 285.A N PHE 281.A O no hydrogen 2.741 N/A SER 287.A OG ARG 265.A O no hydrogen 3.360 N/A LYS 288.A NZ GLU 295.A OE2 no hydrogen 3.210 N/A TYR 289.A N SER 296.A O no hydrogen 3.074 N/A LEU 291.A N ARG 294.A O no hydrogen 3.342 N/A ARG 294.A N ASN 292.A O no hydrogen 2.987 N/A ARG 294.A NH1 ASN 162.A O no hydrogen 3.179 N/A ARG 294.A NH2 ASN 162.A O no hydrogen 3.366 N/A SER 296.A N TYR 289.A O no hydrogen 2.955 N/A ILE 298.A N SER 287.A O no hydrogen 3.046 N/A ALA 305.A N PRO 351.A O no hydrogen 2.771 N/A SER 306.A N GLU 343.A O no hydrogen 2.911 N/A SER 306.A OG GLU 343.A O no hydrogen 3.455 N/A HIS 307.A NE2 ASP 342.A OD2 no hydrogen 2.370 N/A LYS 308.A NZ GLU 355.A OE2 no hydrogen 2.737 N/A LYS 313.A NZ ASP 275.A OD2 no hydrogen 3.398 N/A PHE 315.A N VAL 269.A O no hydrogen 3.049 N/A MET 317.A N GLN 267.A O no hydrogen 3.177 N/A SER 318.A N GLN 266.A OE1 no hydrogen 3.215 N/A SER 318.A OG GLN 266.A OE1 no hydrogen 3.482 N/A SER 318.A OG ILE 298.A O no hydrogen 2.692 N/A MET 321.A N THR 341.A OG1 no hydrogen 3.058 N/A PHE 323.A N MET 339.A O no hydrogen 2.943 N/A SER 327.A N LYS 325.A O no hydrogen 2.412 N/A SER 327.A OG LYS 325.A O no hydrogen 3.509 N/A ALA 328.A N LYS 325.A O no hydrogen 3.415 N/A GLY 329.A N THR 333.A OG1 no hydrogen 2.799 N/A THR 333.A N ASN 332.A OD1 no hydrogen 2.624 N/A ASN 337.A N ALA 334.A O no hydrogen 3.013 N/A VAL 338.A N LEU 335.A O no hydrogen 2.966 N/A MET 339.A N PHE 323.A O no hydrogen 3.063 N/A THR 341.A N MET 321.A O no hydrogen 2.930 N/A THR 341.A OG1 MET 321.A O no hydrogen 2.880 N/A GLU 343.A N SER 306.A OG no hydrogen 3.006 N/A LYS 347.A N GLU 344.A O no hydrogen 3.159 N/A LYS 347.A NZ GLU 344.A OE2 no hydrogen 3.351 N/A THR 349.A N ILE 346.A O no hydrogen 3.173 N/A THR 349.A OG1 ASN 350.A OD1 no hydrogen 2.505 N/A ASN 350.A N ILE 346.A O no hydrogen 2.855 N/A ASN 350.A ND2 ALA 303.A O no hydrogen 2.409 N/A ASN 350.A ND2 GLN 388.A O no hydrogen 2.765 N/A ALA 353.A N ALA 305.A O no hydrogen 2.962 N/A PHE 357.A N VAL 376.A O no hydrogen 2.803 N/A VAL 360.A N GLY 374.A O no hydrogen 2.930 N/A ASN 363.A ND2 PRO 371.A O no hydrogen 3.428 N/A SER 366.A OG SER 366.A O no hydrogen 2.665 N/A SER 368.A N GLN 365.A O no hydrogen 3.197 N/A SER 368.A OG SER 366.A O no hydrogen 3.236 N/A GLY 374.A N VAL 360.A O no hydrogen 2.721 N/A VAL 376.A N GLY 358.A O no hydrogen 2.893 N/A MET 379.A N CYS 263.A O no hydrogen 2.878 N/A MET 385.A N LEU 382.A O no hydrogen 3.318 N/A VAL 386.A N LEU 259.A O no hydrogen 2.909 N/A GLN 388.A N ASN 350.A OD1 no hydrogen 2.784 N/A GLN 388.A NE2 TYR 205.A OH no hydrogen 3.516 N/A ARG 390.A NE LEU 414.A O no hydrogen 3.072 N/A ARG 390.A NH1 GLU 343.A OE2 no hydrogen 3.438 N/A TYR 393.A OH GLU 343.A OE2 no hydrogen 2.991 N/A LEU 394.A N ILE 507.A O no hydrogen 3.385 N/A GLY 396.A N TYR 393.A O no hydrogen 2.677 N/A ILE 398.A N ASN 66.A OD1 no hydrogen 2.817 N/A TRP 399.A N ASN 66.A OD1 no hydrogen 2.801 N/A TRP 399.A NE1 TYR 133.A OH no hydrogen 2.645 N/A ILE 402.A N LEU 420.A O no hydrogen 3.124 N/A THR 405.A OG1 GLY 407.A O no hydrogen 2.987 N/A HIS 410.A NE2 ASP 389.A OD2 no hydrogen 2.719 N/A SER 412.A N HIS 410.A O no hydrogen 2.246 N/A GLY 416.A N PRO 413.A O no hydrogen 2.479 N/A PHE 418.A N ILE 398.A O no hydrogen 2.821 N/A LEU 420.A N ALA 400.A O no hydrogen 3.096 N/A LYS 421.A N GLU 197.A OE2 no hydrogen 2.553 N/A HIS 422.A N GLU 197.A OE1 no hydrogen 2.796 N/A GLN 426.A NE2 PRO 132.A O no hydrogen 3.270 N/A LEU 428.A N PHE 124.A O no hydrogen 3.000 N/A ILE 429.A N GLY 61.A O no hydrogen 2.841 N/A LYS 430.A N GLN 122.A O no hydrogen 2.865 N/A ASN 431.A ND2 LEU 29.A O no hydrogen 3.213 N/A THR 432.A N THR 120.A O no hydrogen 3.167 N/A THR 432.A OG1 THR 120.A O no hydrogen 3.095 N/A THR 432.A OG1 THR 120.A OG1 no hydrogen 3.045 N/A THR 432.A OG1 GLN 122.A OE1 no hydrogen 3.552 N/A ALA 436.A N SER 449.A O no hydrogen 2.557 N/A SER 443.A OG THR 445.A OG1 no hydrogen 2.779 N/A THR 445.A OG1 SER 443.A OG no hydrogen 2.779 N/A ILE 451.A N VAL 434.A O no hydrogen 2.832 N/A GLN 453.A NE2 SER 119.A OG no hydrogen 3.058 N/A GLN 453.A NE2 THR 432.A O no hydrogen 3.533 N/A TYR 454.A N LYS 102.A O no hydrogen 2.752 N/A SER 455.A N LEU 29.A O no hydrogen 3.116 N/A SER 455.A OG ASN 431.A OD1 no hydrogen 2.676 N/A THR 456.A N GLN 100.A O no hydrogen 2.675 N/A THR 456.A OG1 TRP 27.A O no hydrogen 2.607 N/A GLY 457.A N TRP 27.A O no hydrogen 3.167 N/A GLN 458.A N PHE 97.A O no hydrogen 3.302 N/A SER 460.A N LYS 95.A O no hydrogen 2.940 N/A SER 460.A OG THR 24.A OG1 no hydrogen 2.969 N/A VAL 461.A N SER 23.A O no hydrogen 2.816 N/A GLU 462.A N ASN 93.A O no hydrogen 2.860 N/A ILE 463.A N THR 21.A O no hydrogen 2.866 N/A GLU 464.A N ARG 91.A O no hydrogen 3.258 N/A TRP 465.A N VAL 19.A O no hydrogen 2.709 N/A TRP 465.A NE1 THR 21.A OG1 no hydrogen 3.110 N/A GLU 466.A N ARG 88.A O no hydrogen 2.835 N/A LEU 467.A N ASP 17.A O no hydrogen 2.970 N/A ARG 474.A N SER 472.A OG no hydrogen 3.186 N/A ARG 474.A NE ASN 476.A O no hydrogen 2.804 N/A ARG 474.A NE PRO 477.A O no hydrogen 2.925 N/A ARG 474.A NH2 PRO 477.A O no hydrogen 2.785 N/A GLN 480.A NE2 ASN 82.A O no hydrogen 3.668 N/A GLN 480.A NE2 VAL 479.A O no hydrogen 2.953 N/A THR 482.A OG1 SER 483.A O no hydrogen 3.263 N/A ALA 486.A N ASN 484.A OD1 no hydrogen 3.327 N/A THR 494.A OG1 VAL 491.A O no hydrogen 2.552 N/A GLY 499.A N ASP 496.A O no hydrogen 2.795 N/A THR 502.A N THR 494.A O no hydrogen 3.328 N/A GLU 503.A N GLU 326.A OE2 no hydrogen 2.838 N/A THR 509.A N ASP 391.A OD2 no hydrogen 2.999 N/A THR 509.A OG1 HIS 202.A NE2 no hydrogen 2.836 N/A THR 509.A OG1 ASP 391.A OD1 no hydrogen 2.556 N/A THR 509.A OG1 ASP 391.A OD2 no hydrogen 3.079 N/A ARG 510.A NE SER 203.A O no hydrogen 3.012 N/A ARG 510.A NH1 ASP 389.A O no hydrogen 2.939 N/A ARG 510.A NH2 ASP 389.A O no hydrogen 2.605 N/A THR 513.A N GLU 478.A OE2 no hydrogen 3.036 N/A THR 513.A OG1 GLU 478.A OE1 no hydrogen 3.108 N/A THR 513.A OG1 GLU 478.A OE2 no hydrogen 2.450 N/A ARG 514.A N ALA 206.A O no hydrogen 3.252 N/A