Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4e54_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ ASN 359.A O no hydrogen 3.080 N/A SER 5.A N ARG 1.A O no hydrogen 3.081 N/A ARG 6.A N ASN 2.A O no hydrogen 2.841 N/A SER 7.A N LYS 3.A O no hydrogen 2.947 N/A LEU 9.A N SER 5.A O no hydrogen 3.161 N/A GLU 10.A N GLU 10.A OE1 no hydrogen 2.614 N/A GLU 12.A N GLU 12.A OE1 no hydrogen 1.824 N/A CYS 19.A SG LYS 17.A O no hydrogen 3.511 N/A GLY 22.A N CYS 19.A O no hydrogen 2.561 N/A SER 23.A N ALA 20.A O no hydrogen 3.269 N/A SER 23.A OG GLY 22.A O no hydrogen 2.300 N/A GLY 24.A N LYS 21.A O no hydrogen 2.921 N/A ARG 27.A NE SER 26.A O no hydrogen 2.376 N/A ARG 27.A NH2 SER 23.A O no hydrogen 3.165 N/A CYS 29.A SG PRO 25.A O no hydrogen 2.770 N/A CYS 29.A SG ASP 30.A O no hydrogen 3.268 N/A CYS 29.A SG ASP 32.A O no hydrogen 3.677 N/A CYS 33.A SG CYS 29.A O no hydrogen 3.431 N/A GLY 40.A N GLY 37.A O no hydrogen 3.148 N/A ILE 43.A N ALA 39.A O no hydrogen 3.153 N/A LEU 44.A N GLY 40.A O no hydrogen 3.178 N/A CYS 47.A SG ILE 43.A O no hydrogen 3.770 N/A ARG 48.A NH1 LEU 11.A O no hydrogen 2.208 N/A SER 49.A OG ILE 50.A O no hydrogen 3.074 N/A ARG 52.A N SER 49.A O no hydrogen 2.872 N/A HIS 57.A N THR 53.A O no hydrogen 3.031 N/A HIS 57.A N LEU 54.A O no hydrogen 3.241 N/A LYS 58.A N LEU 54.A O no hydrogen 3.273 N/A LEU 59.A N GLN 56.A O no hydrogen 3.326 N/A GLY 60.A N HIS 57.A O no hydrogen 2.679 N/A ALA 62.A N GLN 56.A O no hydrogen 3.131 N/A SER 63.A OG GLU 12.A OE2 no hydrogen 2.888 N/A SER 66.A N SER 63.A O no hydrogen 2.944 N/A SER 66.A OG GLU 10.A OE2 no hydrogen 2.918 N/A SER 66.A OG GLU 12.A O no hydrogen 3.236 N/A VAL 67.A N SER 63.A O no hydrogen 3.426 N/A GLN 68.A N TRP 64.A O no hydrogen 2.772 N/A GLN 69.A N PRO 65.A O no hydrogen 3.159 N/A GLY 70.A N SER 66.A O no hydrogen 2.734 N/A LEU 71.A N VAL 67.A O no hydrogen 2.739 N/A GLN 72.A N GLN 69.A O no hydrogen 2.678 N/A SER 74.A N LEU 71.A O no hydrogen 3.083 N/A SER 74.A OG GLY 70.A O no hydrogen 2.879 N/A SER 74.A OG LEU 71.A O no hydrogen 3.409 N/A LEU 76.A N GLN 72.A O no hydrogen 2.925 N/A HIS 77.A N GLN 73.A O no hydrogen 3.269 N/A LEU 79.A N LEU 76.A O no hydrogen 3.285 N/A ASP 80.A N LEU 76.A O no hydrogen 3.361 N/A TYR 82.A N LEU 79.A O no hydrogen 2.607 N/A GLN 86.A N ILE 398.A O no hydrogen 2.870 N/A GLN 86.A NE2 GLN 401.A O no hydrogen 2.281 N/A LYS 87.A N ILE 398.A O no hydrogen 3.445 N/A ARG 93.A N ASP 92.A OD1 no hydrogen 2.610 N/A ARG 93.A NH2 GLY 135.A O no hydrogen 1.892 N/A ARG 94.A NE HIS 317.A O no hydrogen 2.354 N/A THR 96.A N GLY 111.A O no hydrogen 3.023 N/A THR 96.A OG1 ILE 140.A O no hydrogen 3.037 N/A SER 97.A N GLY 111.A O no hydrogen 3.344 N/A SER 97.A OG ILE 140.A O no hydrogen 2.147 N/A ALA 99.A N ALA 109.A O no hydrogen 2.562 N/A TRP 100.A NE1 GLU 380.A O no hydrogen 2.079 N/A HIS 101.A N THR 107.A O no hydrogen 3.148 N/A THR 103.A OG1 HIS 101.A NE2 no hydrogen 3.022 N/A THR 107.A N HIS 104.A O no hydrogen 3.322 N/A THR 107.A OG1 HIS 104.A ND1 no hydrogen 2.357 N/A VAL 108.A N TRP 120.A O no hydrogen 2.905 N/A ALA 109.A N ALA 99.A O no hydrogen 2.754 N/A VAL 110.A N MET 118.A O no hydrogen 3.370 N/A GLY 111.A N SER 97.A O no hydrogen 2.392 N/A SER 112.A OG ASP 116.A O no hydrogen 2.964 N/A LYS 113.A N ARG 94.A O no hydrogen 3.428 N/A LYS 113.A NZ LYS 113.A O no hydrogen 3.448 N/A GLY 115.A N SER 112.A O no hydrogen 3.428 N/A ASP 116.A N SER 112.A OG no hydrogen 2.711 N/A ILE 117.A N ILE 131.A O no hydrogen 3.294 N/A LEU 119.A N THR 129.A O no hydrogen 3.300 N/A TRP 120.A N VAL 108.A O no hydrogen 3.014 N/A PHE 122.A N ASN 121.A OD1 no hydrogen 2.758 N/A ILE 131.A N ILE 117.A O no hydrogen 3.328 N/A GLY 133.A N ASP 116.A OD1 no hydrogen 2.375 N/A ILE 140.A N SER 112.A O no hydrogen 2.955 N/A LYS 144.A N TYR 154.A O no hydrogen 2.839 N/A ASN 146.A N GLN 152.A O no hydrogen 2.921 N/A ASN 146.A ND2 GLN 152.A OE1 no hydrogen 2.567 N/A ASN 149.A N ASN 146.A OD1 no hydrogen 3.385 N/A THR 150.A OG1 HIS 101.A NE2 no hydrogen 3.374 N/A GLN 152.A N ASN 149.A O no hydrogen 3.044 N/A PHE 153.A N GLN 165.A O no hydrogen 3.292 N/A TYR 154.A N LYS 144.A O no hydrogen 2.652 N/A ALA 155.A N ARG 163.A O no hydrogen 3.154 N/A SER 156.A N GLY 142.A O no hydrogen 3.132 N/A SER 157.A N THR 161.A O no hydrogen 2.961 N/A SER 157.A OG GLY 138.A O no hydrogen 3.533 N/A ARG 163.A N ALA 155.A O no hydrogen 3.212 N/A LEU 164.A N ARG 173.A O no hydrogen 3.360 N/A GLN 165.A N PHE 153.A O no hydrogen 3.501 N/A PHE 167.A N ASN 151.A O no hydrogen 2.607 N/A GLY 169.A N ASP 166.A O no hydrogen 2.381 N/A ASN 170.A N ASN 170.A OD1 no hydrogen 2.498 N/A LEU 172.A N LEU 164.A O no hydrogen 2.946 N/A PHE 175.A N THR 162.A O no hydrogen 3.259 N/A SER 177.A OG ASP 179.A OD1 no hydrogen 3.403 N/A CYS 186.A SG THR 141.A OG1 no hydrogen 3.154 N/A SER 187.A N VAL 226.A O no hydrogen 3.280 N/A SER 187.A OG VAL 226.A O no hydrogen 2.631 N/A ASP 189.A N VAL 198.A O no hydrogen 2.753 N/A SER 191.A N MET 196.A O no hydrogen 3.349 N/A SER 194.A N SER 191.A OG no hydrogen 3.425 N/A SER 194.A OG SER 191.A O no hydrogen 2.813 N/A ARG 195.A N SER 191.A O no hydrogen 2.825 N/A ARG 195.A N ALA 192.A O no hydrogen 3.099 N/A MET 196.A N SER 194.A OG no hydrogen 2.986 N/A VAL 197.A N LEU 209.A O no hydrogen 2.671 N/A VAL 198.A N ASP 189.A O no hydrogen 2.833 N/A THR 199.A N ILE 207.A O no hydrogen 2.851 N/A THR 199.A OG1 SER 187.A O no hydrogen 2.823 N/A GLY 200.A N SER 187.A O no hydrogen 2.894 N/A ASN 202.A N TRP 184.A O no hydrogen 3.010 N/A ILE 207.A N THR 199.A O no hydrogen 2.528 N/A LEU 209.A N VAL 197.A O no hydrogen 2.727 N/A MET 211.A N ARG 195.A O no hydrogen 2.809 N/A MET 221.A N GLY 204.A O no hydrogen 3.294 N/A HIS 222.A N GLY 204.A O no hydrogen 3.214 N/A VAL 226.A N ASP 201.A O no hydrogen 2.709 N/A THR 227.A N ALA 242.A O no hydrogen 2.425 N/A THR 227.A OG1 VAL 272.A O no hydrogen 2.339 N/A ALA 230.A N ALA 240.A O no hydrogen 2.522 N/A LEU 231.A N ASP 189.A OD2 no hydrogen 3.108 N/A ASN 232.A ND2 GLY 281.A O no hydrogen 2.865 N/A CYS 234.A N ASN 232.A OD1 no hydrogen 2.550 N/A CYS 234.A SG ASP 280.A O no hydrogen 3.190 N/A CYS 235.A N ASN 232.A O no hydrogen 3.224 N/A CYS 235.A N ASN 232.A OD1 no hydrogen 3.119 N/A LEU 239.A N TRP 251.A O no hydrogen 3.120 N/A ALA 240.A N ALA 230.A O no hydrogen 2.995 N/A THR 241.A N VAL 248.A O no hydrogen 3.296 N/A THR 241.A OG1 HIS 228.A O no hydrogen 2.702 N/A ALA 242.A N HIS 228.A O no hydrogen 2.705 N/A SER 243.A OG LYS 224.A O no hydrogen 2.424 N/A SER 243.A OG LYS 225.A O no hydrogen 2.988 N/A VAL 244.A N LYS 225.A O no hydrogen 3.194 N/A THR 247.A OG1 ASP 245.A OD2 no hydrogen 2.130 N/A VAL 248.A N LEU 266.A O no hydrogen 3.045 N/A ILE 250.A N TYR 264.A O no hydrogen 3.208 N/A TRP 251.A N LEU 239.A O no hydrogen 2.598 N/A LEU 253.A N TRP 237.A O no hydrogen 2.250 N/A ARG 257.A NE VAL 256.A O no hydrogen 2.833 N/A GLY 258.A N SER 261.A OG no hydrogen 3.252 N/A LYS 259.A N ARG 257.A O no hydrogen 2.534 N/A HIS 268.A N GLN 246.A O no hydrogen 3.077 N/A VAL 272.A N SER 243.A O no hydrogen 2.914 N/A ASN 273.A N THR 287.A O no hydrogen 3.340 N/A CYS 276.A SG HIS 228.A NE2 no hydrogen 3.754 N/A CYS 276.A SG ALA 323.A O no hydrogen 3.649 N/A SER 278.A N ARG 283.A O no hydrogen 3.182 N/A ARG 283.A NH1 ALA 282.A O no hydrogen 2.753 N/A LEU 284.A N TYR 296.A O no hydrogen 2.761 N/A THR 286.A N ARG 294.A O no hydrogen 2.589 N/A THR 287.A OG1 HIS 312.A NE2 no hydrogen 3.240 N/A THR 287.A OG1 ILE 321.A O no hydrogen 3.471 N/A GLN 289.A N PRO 271.A O no hydrogen 2.861 N/A LYS 290.A N ASP 288.A OD2 no hydrogen 3.377 N/A ARG 294.A N THR 286.A O no hydrogen 2.743 N/A ARG 294.A NE HIS 268.A ND1 no hydrogen 3.151 N/A VAL 295.A N GLY 306.A O no hydrogen 3.141 N/A TYR 296.A N LEU 284.A O no hydrogen 2.698 N/A SER 299.A N SER 297.A OG no hydrogen 3.234 N/A CYS 303.A SG CYS 303.A O no hydrogen 2.752 N/A ILE 308.A N ILE 293.A O no hydrogen 3.256 N/A HIS 310.A ND1 HIS 312.A ND1 no hydrogen 2.892 N/A HIS 312.A N HIS 310.A O no hydrogen 3.164 N/A HIS 312.A ND1 HIS 310.A ND1 no hydrogen 2.892 N/A ARG 313.A NH1 PRO 338.A O no hydrogen 3.121 N/A THR 319.A OG1 ALA 95.A O no hydrogen 3.209 N/A LYS 322.A NZ HIS 228.A ND1 no hydrogen 3.544 N/A HIS 326.A N LEU 331.A O no hydrogen 3.170 N/A ASN 330.A N GLN 72.A OE1 no hydrogen 3.272 N/A ILE 332.A N PHE 356.A O no hydrogen 2.884 N/A VAL 333.A N ALA 324.A O no hydrogen 3.319 N/A VAL 334.A N ASP 354.A O no hydrogen 3.030 N/A ARG 336.A N THR 352.A O no hydrogen 3.176 N/A ARG 336.A NE ASP 354.A OD2 no hydrogen 3.570 N/A TYR 337.A N PRO 311.A O no hydrogen 1.981 N/A ARG 351.A NH1 SER 373.A O no hydrogen 3.551 N/A THR 352.A OG1 ILE 353.A O no hydrogen 2.699 N/A THR 352.A OG1 ASP 354.A OD1 no hydrogen 3.387 N/A THR 352.A OG1 LEU 367.A O no hydrogen 2.923 N/A ILE 353.A N LEU 367.A O no hydrogen 2.795 N/A ASP 354.A N VAL 334.A O no hydrogen 2.994 N/A VAL 355.A N CYS 365.A O no hydrogen 2.987 N/A PHE 356.A N ILE 332.A O no hydrogen 2.719 N/A ASP 357.A N LYS 362.A O no hydrogen 2.901 N/A ASN 359.A ND2 ASP 357.A OD2 no hydrogen 3.539 N/A LYS 362.A N SER 360.A OG no hydrogen 3.043 N/A MET 364.A N VAL 355.A O no hydrogen 2.909 N/A CYS 365.A SG GLN 366.A O no hydrogen 3.868 N/A LEU 367.A N ILE 353.A O no hydrogen 2.525 N/A SER 376.A OG ASN 379.A OD1 no hydrogen 2.147 N/A GLU 380.A N ALA 389.A O no hydrogen 3.313 N/A ASN 382.A N THR 387.A O no hydrogen 2.555 N/A ASN 382.A ND2 ASP 386.A OD1 no hydrogen 2.097 N/A THR 387.A N ASN 382.A OD1 no hydrogen 2.693 N/A THR 387.A OG1 ASP 386.A OD1 no hydrogen 3.321 N/A ALA 389.A N GLU 380.A O no hydrogen 3.367 N/A SER 390.A N LEU 397.A O no hydrogen 2.784 N/A MET 392.A N HIS 395.A O no hydrogen 3.011 N/A ILE 396.A N ALA 89.A O no hydrogen 2.949 N/A LEU 397.A N SER 390.A O no hydrogen 2.603 N/A ILE 398.A N LYS 87.A O no hydrogen 3.255 N/A SER 400.A OG GLN 401.A O no hydrogen 3.160 N/A GLN 401.A N SER 400.A OG no hydrogen 2.048 N/A