Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iyw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A N ASP 42.A OD2 no hydrogen 2.930 N/A CYS 3.A SG THR 32.A OG1 no hydrogen 3.449 N/A MET 6.A N CYS 3.A O no hydrogen 3.039 N/A SER 7.A OG ASN 8.A OD1 no hydrogen 3.514 N/A ASN 8.A ND2 ASP 28.A O no hydrogen 3.154 N/A ARG 9.A NE THR 32.A OG1 no hydrogen 2.809 N/A ARG 9.A NH1 GLU 374.A OE1 no hydrogen 3.358 N/A ARG 9.A NH1 GLU 374.A OE2 no hydrogen 2.543 N/A ARG 9.A NH2 THR 32.A OG1 no hydrogen 2.977 N/A ARG 9.A NH2 GLU 374.A OE1 no hydrogen 2.674 N/A LEU 12.A N THR 32.A O no hydrogen 2.667 N/A THR 19.A OG1 GLU 293.A OE1 no hydrogen 2.980 N/A LEU 23.A N CYS 288.A O no hydrogen 2.644 N/A LEU 25.A N LEU 286.A O no hydrogen 3.052 N/A GLU 26.A N SER 29.A OG no hydrogen 3.185 N/A GLY 27.A N THR 282.A O no hydrogen 2.840 N/A SER 29.A N GLU 26.A O no hydrogen 2.755 N/A SER 29.A OG GLU 26.A O no hydrogen 2.604 N/A CYS 30.A N ASN 8.A O no hydrogen 2.825 N/A CYS 30.A SG VAL 43.A O no hydrogen 3.852 N/A VAL 31.A N VAL 43.A O no hydrogen 2.942 N/A THR 32.A N ASP 10.A O no hydrogen 2.860 N/A THR 32.A OG1 ASP 42.A OD1 no hydrogen 2.996 N/A ILE 33.A N ILE 41.A O no hydrogen 2.850 N/A MET 34.A N LEU 12.A O no hydrogen 2.598 N/A LYS 38.A N SER 35.A O no hydrogen 2.899 N/A LYS 38.A NZ LEU 295.A O no hydrogen 2.717 N/A THR 40.A OG1 VAL 356.A O no hydrogen 2.726 N/A ILE 41.A N ILE 33.A O no hydrogen 3.189 N/A ASP 42.A N PHE 142.A O no hydrogen 3.065 N/A VAL 43.A N VAL 31.A O no hydrogen 2.826 N/A LYS 44.A N ALA 140.A O no hydrogen 3.076 N/A LYS 44.A NZ ASN 2.A O no hydrogen 3.414 N/A MET 46.A N GLU 138.A O no hydrogen 2.666 N/A ASN 47.A N GLU 138.A O no hydrogen 3.408 N/A GLU 49.A N LYS 136.A O no hydrogen 3.447 N/A ALA 51.A N ASN 134.A O no hydrogen 2.804 N/A VAL 56.A N GLY 127.A O no hydrogen 3.075 N/A SER 58.A OG GLU 55.A OE2 no hydrogen 2.457 N/A SER 58.A OG SER 226.A O no hydrogen 2.872 N/A TYR 59.A OH PHE 218.A O no hydrogen 2.807 N/A CYS 60.A N PRO 224.A O no hydrogen 3.340 N/A TYR 61.A N THR 123.A O no hydrogen 3.144 N/A TYR 61.A OH GLN 258.A O no hydrogen 2.480 N/A THR 64.A OG1 ALA 120.A O no hydrogen 3.204 N/A SER 69.A OG LEU 68.A O no hydrogen 2.793 N/A THR 70.A OG1 THR 70.A O no hydrogen 2.556 N/A THR 70.A OG1 ALA 247.A O no hydrogen 2.503 N/A THR 70.A OG1 THR 248.A O no hydrogen 3.425 N/A LYS 71.A N ASP 114.A O no hydrogen 3.433 N/A ALA 73.A N SER 112.A O no hydrogen 3.272 N/A MET 77.A N CYS 74.A O no hydrogen 2.983 N/A ASN 82.A N ASP 114.A OD2 no hydrogen 2.973 N/A ASN 82.A ND2 ASP 114.A O no hydrogen 3.210 N/A LYS 84.A N ASN 82.A OD1 no hydrogen 2.891 N/A ALA 86.A N ASP 83.A O no hydrogen 3.184 N/A VAL 91.A N ALA 117.A O no hydrogen 2.459 N/A CYS 92.A SG LYS 84.A O no hydrogen 3.057 N/A ARG 93.A N THR 115.A O no hydrogen 3.097 N/A GLN 94.A NE2 ALA 80.A O no hydrogen 2.745 N/A GLY 95.A N ILE 113.A O no hydrogen 2.618 N/A VAL 97.A N GLY 111.A O no hydrogen 2.940 N/A ARG 99.A N GLY 109.A O no hydrogen 3.162 N/A ARG 99.A NH1 ASN 103.A OD1 no hydrogen 3.504 N/A ASN 103.A N GLY 100.A O no hydrogen 3.182 N/A GLY 104.A N TRP 101.A O no hydrogen 2.920 N/A CYS 105.A N GLY 100.A O no hydrogen 2.530 N/A GLY 109.A N ARG 99.A O no hydrogen 2.908 N/A LYS 110.A NZ ASP 98.A OD2 no hydrogen 2.824 N/A GLY 111.A N VAL 97.A O no hydrogen 3.087 N/A ASP 114.A N LYS 71.A O no hydrogen 3.264 N/A THR 115.A OG1 GLN 250.A OE1 no hydrogen 2.748 N/A CYS 116.A N SER 69.A O no hydrogen 3.191 N/A CYS 116.A SG LYS 84.A O no hydrogen 3.799 N/A ALA 117.A N VAL 91.A O no hydrogen 2.986 N/A ALA 120.A N THR 64.A OG1 no hydrogen 2.864 N/A THR 123.A N TYR 61.A O no hydrogen 3.385 N/A THR 123.A OG1 TYR 61.A O no hydrogen 3.400 N/A ALA 125.A N TYR 59.A O no hydrogen 2.515 N/A ILE 126.A N LYS 124.A O no hydrogen 2.538 N/A ARG 128.A N VAL 203.A O no hydrogen 2.760 N/A ARG 128.A NE THR 205.A OG1 no hydrogen 3.382 N/A THR 129.A N ALA 54.A O no hydrogen 2.884 N/A THR 129.A OG1 ALA 54.A O no hydrogen 3.040 N/A LYS 136.A N GLU 49.A O no hydrogen 3.205 N/A TYR 137.A N ILE 169.A O no hydrogen 2.597 N/A GLU 138.A N ASN 47.A O no hydrogen 3.095 N/A VAL 139.A N PHE 167.A O no hydrogen 2.933 N/A ALA 140.A N LYS 44.A O no hydrogen 2.729 N/A ILE 141.A N GLY 165.A O no hydrogen 2.888 N/A PHE 142.A N ASP 42.A O no hydrogen 2.977 N/A VAL 143.A N GLN 163.A O no hydrogen 3.029 N/A HIS 144.A N THR 40.A O no hydrogen 2.917 N/A HIS 144.A NE2 ASP 42.A OD1 no hydrogen 2.614 N/A HIS 144.A NE2 ASP 42.A OD2 no hydrogen 2.812 N/A GLY 145.A N VAL 143.A O no hydrogen 2.573 N/A THR 148.A N SER 151.A OG no hydrogen 3.127 N/A THR 148.A OG1 GLU 150.A OE1 no hydrogen 3.421 N/A VAL 149.A N GLU 326.A OE2 no hydrogen 2.916 N/A SER 151.A N THR 148.A OG1 no hydrogen 3.066 N/A HIS 152.A N THR 148.A O no hydrogen 2.919 N/A GLY 153.A N GLU 150.A O no hydrogen 3.507 N/A ASN 154.A N SER 151.A O no hydrogen 3.365 N/A THR 157.A N ASN 154.A OD1 no hydrogen 2.323 N/A GLN 158.A N ASN 154.A O no hydrogen 3.167 N/A GLN 158.A NE2 SER 151.A O no hydrogen 2.750 N/A VAL 159.A N TYR 155.A O no hydrogen 2.834 N/A GLY 160.A N SER 156.A O no hydrogen 2.822 N/A ALA 161.A N THR 157.A O no hydrogen 2.679 N/A THR 162.A N VAL 159.A O no hydrogen 2.516 N/A THR 162.A OG1 ALA 161.A O no hydrogen 2.492 N/A GLN 163.A N GLN 158.A O no hydrogen 2.805 N/A GLN 163.A NE2 PRO 146.A O no hydrogen 3.057 N/A GLN 163.A NE2 GLN 158.A OE1 no hydrogen 2.748 N/A PHE 167.A N VAL 139.A O no hydrogen 3.033 N/A ILE 169.A N TYR 137.A O no hydrogen 2.682 N/A THR 170.A N ALA 173.A O no hydrogen 3.401 N/A ALA 173.A N THR 170.A OG1 no hydrogen 2.959 N/A TYR 176.A N VAL 188.A O no hydrogen 2.919 N/A THR 177.A OG1 THR 187.A OG1 no hydrogen 2.778 N/A LEU 178.A N VAL 186.A O no hydrogen 2.709 N/A LEU 180.A N GLY 184.A O no hydrogen 2.895 N/A TYR 183.A N LEU 180.A O no hydrogen 2.971 N/A TYR 183.A OH GLN 163.A OE1 no hydrogen 2.811 N/A GLY 184.A N GLY 181.A O no hydrogen 2.823 N/A GLU 185.A N LYS 294.A O no hydrogen 2.703 N/A VAL 186.A N LEU 178.A O no hydrogen 2.867 N/A THR 187.A N LYS 291.A O no hydrogen 3.190 N/A THR 187.A OG1 THR 177.A OG1 no hydrogen 2.778 N/A GLU 191.A N LYS 287.A O no hydrogen 2.703 N/A TYR 201.A N THR 198.A O no hydrogen 3.354 N/A TYR 202.A N VAL 213.A O no hydrogen 2.571 N/A VAL 203.A N ARG 128.A O no hydrogen 2.683 N/A THR 205.A N ILE 126.A O no hydrogen 2.703 N/A PHE 211.A N MET 204.A O no hydrogen 2.693 N/A LEU 212.A N ILE 270.A O no hydrogen 2.606 N/A VAL 213.A N TYR 202.A O no hydrogen 3.263 N/A ARG 215.A NE ALA 200.A O no hydrogen 2.722 N/A ARG 215.A NH2 ASN 199.A O no hydrogen 2.825 N/A PHE 218.A N HIS 214.A O no hydrogen 3.158 N/A MET 219.A N ARG 215.A O no hydrogen 2.792 N/A ASP 220.A N GLU 216.A O no hydrogen 2.535 N/A TRP 225.A N TRP 233.A O no hydrogen 3.315 N/A SER 226.A N SER 58.A O no hydrogen 3.156 N/A TRP 233.A N TRP 225.A O no hydrogen 3.060 N/A ASN 235.A ND2 VAL 232.A O no hydrogen 3.075 N/A THR 238.A N ASN 235.A O no hydrogen 2.883 N/A THR 238.A OG1 THR 238.A O no hydrogen 2.643 N/A GLU 243.A N GLU 241.A O no hydrogen 2.567 N/A SER 251.A N GLU 243.A OE2 no hydrogen 2.857 N/A ALA 261.A N GLN 258.A O no hydrogen 3.037 N/A LEU 262.A N GLU 259.A O no hydrogen 3.207 N/A HIS 263.A N GLU 259.A O no hydrogen 2.934 N/A GLN 264.A N GLY 260.A O no hydrogen 2.680 N/A ALA 265.A N LEU 262.A O no hydrogen 2.666 N/A VAL 272.A N THR 210.A O no hydrogen 3.228 N/A SER 275.A N THR 278.A O no hydrogen 2.953 N/A THR 278.A N SER 275.A O no hydrogen 2.600 N/A THR 278.A OG1 SER 275.A OG no hydrogen 3.056 N/A SER 283.A N LYS 280.A O no hydrogen 3.289 N/A LEU 286.A N LEU 25.A O no hydrogen 2.952 N/A LYS 287.A NZ CYS 288.A O no hydrogen 3.368 N/A CYS 288.A N LEU 23.A O no hydrogen 2.834 N/A CYS 288.A SG LEU 286.A O no hydrogen 3.653 N/A ARG 289.A NE ASP 22.A OD1 no hydrogen 2.685 N/A VAL 290.A N VAL 21.A O no hydrogen 2.676 N/A LYS 291.A N ARG 289.A O no hydrogen 2.898 N/A MET 292.A N THR 19.A O no hydrogen 2.626 N/A LEU 295.A N MET 292.A O no hydrogen 3.210 N/A GLN 296.A N TYR 183.A O no hydrogen 2.775 N/A CYS 305.A N LYS 337.A O no hydrogen 2.707 N/A CYS 305.A SG LYS 337.A O no hydrogen 2.901 N/A SER 306.A OG VAL 304.A O no hydrogen 3.193 N/A LYS 307.A NZ THR 332.A OG1 no hydrogen 2.956 N/A LYS 310.A N GLN 328.A O no hydrogen 3.169 N/A LEU 312.A N GLU 326.A O no hydrogen 3.065 N/A ALA 316.A N VAL 324.A O no hydrogen 2.796 N/A THR 318.A N THR 322.A O no hydrogen 3.047 N/A THR 318.A OG1 THR 322.A O no hydrogen 2.912 N/A THR 318.A OG1 THR 322.A OG1 no hydrogen 2.844 N/A GLY 319.A N ASP 317.A OD1 no hydrogen 3.125 N/A HIS 320.A N THR 318.A OG1 no hydrogen 2.927 N/A HIS 320.A NE2 MET 6.A O no hydrogen 2.963 N/A THR 322.A OG1 THR 318.A OG1 no hydrogen 2.844 N/A THR 322.A OG1 GLU 374.A OE2 no hydrogen 3.023 N/A VAL 323.A N LEU 375.A O no hydrogen 2.778 N/A VAL 324.A N ALA 316.A O no hydrogen 2.855 N/A LEU 325.A N ILE 373.A O no hydrogen 2.920 N/A LEU 327.A N VAL 371.A O no hydrogen 2.756 N/A GLN 328.A N LYS 310.A O no hydrogen 3.122 N/A GLN 328.A NE2 ASN 368.A O no hydrogen 2.610 N/A TYR 329.A N ALA 369.A O no hydrogen 2.991 N/A TYR 329.A OH ASP 333.A OD1 no hydrogen 3.282 N/A TYR 329.A OH ASP 333.A OD2 no hydrogen 3.321 N/A THR 330.A N ALA 308.A O no hydrogen 3.105 N/A THR 330.A OG1 ALA 308.A O no hydrogen 2.648 N/A CYS 336.A SG TYR 329.A OH no hydrogen 3.768 N/A CYS 336.A SG GLY 334.A O no hydrogen 3.351 N/A LYS 337.A N GLY 303.A O no hydrogen 2.969 N/A VAL 338.A N PRO 360.A O no hydrogen 3.223 N/A ILE 340.A N VAL 338.A O no hydrogen 2.948 N/A SER 341.A N VAL 385.A O no hydrogen 3.044 N/A VAL 343.A N TYR 383.A O no hydrogen 2.675 N/A SER 345.A OG ALA 344.A O no hydrogen 2.909 N/A VAL 352.A N SER 342.A O no hydrogen 2.843 N/A GLY 353.A N SER 342.A O no hydrogen 3.270 N/A VAL 356.A N GLU 374.A O no hydrogen 2.886 N/A THR 357.A N GLU 374.A O no hydrogen 3.060 N/A THR 357.A OG1 GLU 374.A O no hydrogen 3.568 N/A VAL 358.A N VAL 356.A O no hydrogen 2.616 N/A VAL 362.A N CYS 336.A O no hydrogen 3.040 N/A VAL 371.A N LEU 327.A O no hydrogen 3.018 N/A LEU 372.A N THR 147.A O no hydrogen 2.759 N/A ILE 373.A N LEU 325.A O no hydrogen 2.791 N/A GLU 374.A N THR 357.A OG1 no hydrogen 3.118 N/A LEU 375.A N VAL 323.A O no hydrogen 2.981 N/A GLU 376.A N ARG 354.A O no hydrogen 3.060 N/A GLY 380.A N LYS 399.A O no hydrogen 2.865 N/A SER 382.A N TRP 397.A O no hydrogen 2.570 N/A SER 382.A OG TRP 397.A O no hydrogen 3.403 N/A TYR 383.A N VAL 343.A O no hydrogen 2.636 N/A ILE 384.A N HIS 395.A O no hydrogen 2.786 N/A VAL 385.A N SER 341.A O no hydrogen 2.921 N/A VAL 386.A N ILE 393.A O no hydrogen 3.355 N/A GLY 387.A N PRO 339.A O no hydrogen 2.849 N/A GLN 391.A N ARG 388.A O no hydrogen 3.319 N/A GLN 392.A N ARG 388.A O no hydrogen 3.422 N/A ILE 393.A N VAL 386.A O no hydrogen 3.022 N/A HIS 395.A N ILE 384.A O no hydrogen 3.009 N/A HIS 395.A ND1 HIS 396.A O no hydrogen 2.634 N/A HIS 396.A NE2 ASP 381.A OD2 no hydrogen 2.548 N/A TRP 397.A N SER 382.A O no hydrogen 2.760 N/A LYS 399.A N GLY 380.A O no hydrogen 2.825 N/A LYS 399.A NZ GLY 321.A O no hydrogen 3.324 N/A LYS 399.A NZ PRO 377.A O no hydrogen 3.209 N/A