Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k3q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PRO 58.A O no hydrogen 3.555 N/A LYS 2.A N GLU 57.A O no hydrogen 3.024 N/A PHE 3.A N VAL 83.A O no hydrogen 2.979 N/A VAL 5.A N ILE 81.A O no hydrogen 2.985 N/A ARG 7.A N ALA 79.A O no hydrogen 2.784 N/A ARG 7.A NE CYS 72.A O no hydrogen 2.963 N/A ARG 7.A NH1 GLU 8.A OE2 no hydrogen 3.384 N/A ARG 7.A NH2 ARG 73.A O no hydrogen 2.878 N/A HIS 9.A N GLU 6.A O no hydrogen 2.944 N/A LEU 10.A N ARG 7.A O no hydrogen 2.977 N/A LEU 11.A N ARG 7.A O no hydrogen 3.047 N/A LEU 14.A N LEU 10.A O no hydrogen 2.858 N/A GLN 15.A N LEU 11.A O no hydrogen 2.912 N/A GLN 16.A N LYS 12.A O no hydrogen 2.959 N/A VAL 17.A N PRO 13.A O no hydrogen 2.982 N/A SER 18.A N LEU 14.A O no hydrogen 2.904 N/A SER 18.A OG LEU 14.A O no hydrogen 2.696 N/A LEU 23.A N LEU 20.A O no hydrogen 3.121 N/A GLY 24.A N PRO 21.A O no hydrogen 2.815 N/A ASN 25.A N ILE 22.A O no hydrogen 3.034 N/A ASN 25.A ND2 THR 62.A OG1 no hydrogen 3.042 N/A LEU 26.A N VAL 63.A O no hydrogen 2.733 N/A LEU 27.A N THR 38.A O no hydrogen 2.876 N/A LEU 28.A N THR 61.A O no hydrogen 2.797 N/A GLN 29.A N SER 36.A O no hydrogen 2.970 N/A VAL 30.A N GLY 59.A O no hydrogen 2.845 N/A ALA 31.A N THR 34.A O no hydrogen 3.015 N/A THR 34.A N ALA 31.A O no hydrogen 2.970 N/A LEU 35.A N VAL 50.A O no hydrogen 2.759 N/A SER 36.A N GLN 29.A O no hydrogen 2.858 N/A LEU 37.A N ALA 48.A O no hydrogen 2.900 N/A THR 38.A N LEU 27.A O no hydrogen 2.880 N/A GLY 39.A N MET 46.A O no hydrogen 3.031 N/A THR 40.A OG1 MET 44.A O no hydrogen 2.858 N/A ASP 41.A N MET 44.A O no hydrogen 3.272 N/A LEU 42.A N THR 40.A OG1 no hydrogen 3.059 N/A GLU 43.A N ASP 41.A OD1 no hydrogen 2.780 N/A MET 44.A N ASP 41.A OD1 no hydrogen 2.855 N/A GLU 45.A N THR 226.A O no hydrogen 2.709 N/A MET 46.A N GLY 39.A O no hydrogen 2.974 N/A VAL 47.A N ILE 224.A O no hydrogen 2.837 N/A ALA 48.A N LEU 37.A O no hydrogen 2.916 N/A ARG 49.A N ASP 222.A O no hydrogen 2.882 N/A ARG 49.A NH2 THR 34.A OG1 no hydrogen 3.334 N/A VAL 50.A N LEU 35.A O no hydrogen 2.775 N/A LEU 52.A N GLY 33.A O no hydrogen 2.846 N/A GLN 54.A NE2 GLU 80.A OE2 no hydrogen 2.838 N/A HIS 56.A ND1 GLN 54.A O no hydrogen 2.791 N/A GLU 57.A N LYS 2.A O no hydrogen 2.864 N/A GLY 59.A N VAL 30.A O no hydrogen 3.150 N/A THR 61.A N LEU 28.A O no hydrogen 2.989 N/A THR 62.A N LEU 104.A O no hydrogen 3.177 N/A THR 62.A OG1 LEU 104.A O no hydrogen 2.670 N/A VAL 63.A N LEU 26.A O no hydrogen 3.018 N/A ALA 65.A N GLY 24.A O no hydrogen 2.909 N/A PHE 68.A N PRO 64.A O no hydrogen 3.037 N/A PHE 69.A N ALA 65.A O no hydrogen 2.987 N/A ASP 70.A N ARG 66.A O no hydrogen 2.805 N/A ILE 71.A N LYS 67.A O no hydrogen 2.940 N/A CYS 72.A N PHE 68.A O no hydrogen 3.013 N/A CYS 72.A SG PHE 68.A O no hydrogen 3.394 N/A ARG 73.A N PHE 69.A O no hydrogen 2.814 N/A GLY 74.A N ASP 70.A O no hydrogen 2.946 N/A LEU 75.A N ILE 71.A O no hydrogen 3.228 N/A LEU 75.A N CYS 72.A O no hydrogen 3.354 N/A GLY 78.A N GLU 8.A OE2 no hydrogen 2.873 N/A ALA 79.A N PRO 76.A O no hydrogen 3.094 N/A ILE 81.A N VAL 5.A O no hydrogen 2.669 N/A ALA 82.A N ARG 93.A O no hydrogen 2.812 N/A VAL 83.A N PHE 3.A O no hydrogen 2.742 N/A GLN 84.A N LEU 91.A O no hydrogen 3.029 N/A LEU 85.A N MET 1.A O no hydrogen 3.033 N/A GLU 86.A N ARG 89.A O no hydrogen 2.833 N/A ARG 89.A N GLU 86.A O no hydrogen 3.097 N/A MET 90.A N LEU 101.A O no hydrogen 2.852 N/A LEU 91.A N GLN 84.A O no hydrogen 2.817 N/A VAL 92.A N PHE 99.A O no hydrogen 2.745 N/A ARG 93.A N ALA 82.A O no hydrogen 2.785 N/A SER 94.A N SER 97.A O no hydrogen 2.959 N/A SER 94.A OG GLU 80.A O no hydrogen 2.656 N/A SER 97.A N SER 94.A O no hydrogen 2.808 N/A PHE 99.A N VAL 92.A O no hydrogen 2.794 N/A LEU 101.A N MET 90.A O no hydrogen 2.884 N/A THR 103.A OG1 GLU 88.A O no hydrogen 2.826 N/A LEU 104.A N THR 62.A O no hydrogen 3.195 N/A ASP 108.A N PRO 105.A O no hydrogen 2.974 N/A PHE 109.A N ALA 106.A O no hydrogen 3.033 N/A TRP 115.A N ASP 114.A OD1 no hydrogen 3.075 N/A SER 117.A OG GLU 120.A OE2 no hydrogen 2.603 N/A GLU 118.A N ILE 211.A O no hydrogen 2.790 N/A VAL 119.A N ILE 211.A O no hydrogen 2.986 N/A PHE 121.A N VAL 209.A O no hydrogen 3.061 N/A THR 122.A N GLN 179.A OE1 no hydrogen 3.083 N/A LEU 123.A N LEU 207.A O no hydrogen 2.948 N/A THR 127.A N PRO 124.A O no hydrogen 3.023 N/A MET 128.A N PRO 124.A O no hydrogen 3.319 N/A LYS 129.A N GLN 125.A O no hydrogen 2.980 N/A LYS 129.A NZ GLU 133.A OE1.A no hydrogen 2.876 N/A LYS 129.A NZ GLU 133.A OE1.B no hydrogen 2.950 N/A LYS 129.A NZ GLU 133.A OE2.B no hydrogen 2.902 N/A ARG 130.A N ALA 126.A O no hydrogen 3.032 N/A ARG 130.A NH2 SER 349.A OG no hydrogen 2.843 N/A LEU 131.A N THR 127.A O no hydrogen 2.960 N/A ILE 132.A N MET 128.A O no hydrogen 3.006 N/A GLU 133.A N LYS 129.A O no hydrogen 2.919 N/A ALA 134.A N ARG 130.A O no hydrogen 3.002 N/A THR 135.A N ILE 132.A O no hydrogen 3.079 N/A THR 135.A OG1 LEU 131.A O no hydrogen 3.052 N/A THR 135.A OG1 ILE 132.A O no hydrogen 3.471 N/A THR 135.A OG1 THR 162.A OG1 no hydrogen 3.316 N/A GLN 136.A N ILE 132.A O no hydrogen 2.815 N/A SER 138.A N THR 135.A O no hydrogen 2.975 N/A MET 139.A N GLN 136.A O no hydrogen 3.193 N/A ALA 140.A N LEU 148.A O no hydrogen 2.874 N/A ASP 143.A N ASN 149.A OD1 no hydrogen 2.839 N/A ARG 145.A N ASP 143.A OD1 no hydrogen 2.738 N/A ARG 145.A NH1 ASP 143.A OD1 no hydrogen 3.499 N/A LEU 148.A N ARG 145.A O no hydrogen 3.039 N/A ASN 149.A N TYR 146.A O no hydrogen 3.021 N/A ASN 149.A ND2 ASP 143.A O no hydrogen 2.952 N/A GLY 150.A N TYR 147.A O no hydrogen 3.414 N/A MET 151.A N VAL 188.A O no hydrogen 2.858 N/A LEU 152.A N VAL 163.A O no hydrogen 2.976 N/A PHE 153.A N VAL 186.A O no hydrogen 2.832 N/A GLU 154.A N ARG 161.A O no hydrogen 2.763 N/A THR 155.A N HIS 184.A O no hydrogen 2.691 N/A THR 155.A OG1 PRO 182.A O no hydrogen 2.580 N/A THR 155.A OG1 HIS 184.A O no hydrogen 3.369 N/A GLU 156.A N GLU 159.A O no hydrogen 3.125 N/A GLU 159.A N GLU 156.A O no hydrogen 2.912 N/A LEU 160.A N MET 175.A O no hydrogen 2.884 N/A ARG 161.A N GLU 154.A O no hydrogen 2.764 N/A ARG 161.A NE SER 174.A OG no hydrogen 2.764 N/A ARG 161.A NH1 GLU 156.A OE1 no hydrogen 3.034 N/A ARG 161.A NH2 GLU 156.A OE1 no hydrogen 3.371 N/A THR 162.A N CYS 173.A O no hydrogen 2.879 N/A THR 162.A OG1 LEU 131.A O no hydrogen 2.766 N/A THR 162.A OG1 THR 135.A OG1 no hydrogen 3.316 N/A VAL 163.A N LEU 152.A O no hydrogen 3.029 N/A ALA 164.A N ALA 171.A O no hydrogen 2.983 N/A THR 165.A OG1 ARG 169.A O no hydrogen 2.734 N/A ASP 166.A N ARG 169.A O no hydrogen 3.314 N/A GLY 167.A N THR 165.A OG1 no hydrogen 3.256 N/A HIS 168.A N ASP 166.A OD1 no hydrogen 2.960 N/A ARG 169.A N ASP 166.A OD1 no hydrogen 3.026 N/A ARG 169.A NE ASP 166.A OD2 no hydrogen 2.827 N/A ARG 169.A NH1 ASP 319.A OD2 no hydrogen 2.819 N/A ARG 169.A NH2 ASP 319.A OD2 no hydrogen 3.396 N/A LEU 170.A N VAL 353.A O no hydrogen 2.905 N/A ALA 171.A N ALA 164.A O no hydrogen 2.855 N/A VAL 172.A N ALA 351.A O no hydrogen 2.896 N/A CYS 173.A N THR 162.A O no hydrogen 3.008 N/A CYS 173.A SG SER 349.A O no hydrogen 3.526 N/A SER 174.A N SER 349.A O no hydrogen 2.904 N/A MET 175.A N LEU 160.A O no hydrogen 2.913 N/A ILE 177.A N GLU 158.A O no hydrogen 2.855 N/A GLN 179.A NE2 THR 122.A O no hydrogen 2.460 N/A GLN 179.A NE2 ILE 177.A O no hydrogen 2.994 N/A LEU 181.A N GLY 157.A O no hydrogen 2.836 N/A HIS 184.A N THR 155.A O no hydrogen 3.062 N/A VAL 186.A N PHE 153.A O no hydrogen 2.968 N/A VAL 188.A N MET 151.A O no hydrogen 2.890 N/A VAL 193.A N PRO 189.A O no hydrogen 3.024 N/A ILE 194.A N ARG 190.A O no hydrogen 2.962 N/A GLU 195.A N LYS 191.A O no hydrogen 3.063 N/A LEU 196.A N GLY 192.A O no hydrogen 2.874 N/A MET 197.A N VAL 193.A O no hydrogen 3.078 N/A ARG 198.A N ILE 194.A O no hydrogen 3.004 N/A MET 199.A N GLU 195.A O no hydrogen 3.107 N/A LEU 200.A N MET 197.A O no hydrogen 3.258 N/A GLY 202.A N GLN 125.A OE1 no hydrogen 3.089 N/A GLY 203.A N ASP 201.A OD1 no hydrogen 2.605 N/A LEU 207.A N LEU 123.A O no hydrogen 2.851 N/A ARG 208.A N HIS 219.A O no hydrogen 2.922 N/A ARG 208.A NH1 THR 122.A OG1 no hydrogen 2.878 N/A ARG 208.A NH2 GLU 120.A OE1 no hydrogen 3.126 N/A VAL 209.A N PHE 121.A O no hydrogen 2.778 N/A GLN 210.A N ARG 217.A O no hydrogen 2.847 N/A GLN 210.A NE2 GLU 120.A OE2 no hydrogen 2.899 N/A ILE 211.A N VAL 119.A O no hydrogen 2.712 N/A GLY 212.A N ASN 215.A O no hydrogen 2.814 N/A SER 213.A OG ASN 214.A OD1 no hydrogen 3.102 N/A ASN 215.A ND2 SER 227.A O no hydrogen 3.587 N/A ILE 216.A N SER 227.A O no hydrogen 2.926 N/A ARG 217.A N GLN 210.A O no hydrogen 2.786 N/A ARG 217.A NE THR 226.A OG1 no hydrogen 2.904 N/A ARG 217.A NH2 THR 226.A OG1 no hydrogen 3.182 N/A ALA 218.A N PHE 225.A O no hydrogen 2.791 N/A HIS 219.A N ARG 208.A O no hydrogen 2.785 N/A HIS 219.A NE2 GLN 210.A OE1 no hydrogen 2.563 N/A VAL 220.A N PHE 223.A O no hydrogen 3.076 N/A PHE 223.A N VAL 220.A O no hydrogen 2.956 N/A ILE 224.A N VAL 47.A O no hydrogen 2.730 N/A PHE 225.A N ALA 218.A O no hydrogen 2.911 N/A THR 226.A N GLU 45.A O no hydrogen 2.808 N/A SER 227.A N ILE 216.A O no hydrogen 2.899 N/A SER 227.A OG LYS 228.A O no hydrogen 2.796 N/A LYS 228.A N GLU 43.A O no hydrogen 2.914 N/A LEU 229.A N ASN 214.A O no hydrogen 2.977 N/A VAL 230.A N ILE 187.A O no hydrogen 2.760 N/A ARG 238.A N ASP 236.A OD1 no hydrogen 2.941 N/A ARG 238.A NE ASP 236.A OD1 no hydrogen 2.998 N/A ARG 238.A NE ASP 236.A OD2 no hydrogen 3.251 N/A ARG 238.A NH2 ASP 236.A OD2 no hydrogen 3.052 N/A ARG 239.A N ASP 236.A O no hydrogen 2.945 N/A VAL 240.A N TYR 237.A O no hydrogen 2.958 N/A LEU 241.A N TYR 237.A O no hydrogen 2.964 N/A LYS 247.A N LEU 333.A O no hydrogen 3.225 N/A LYS 247.A NZ THR 334.A O no hydrogen 2.753 N/A LEU 249.A N MET 331.A O no hydrogen 2.783 N/A GLU 250.A N THR 302.A O no hydrogen 2.984 N/A ALA 251.A N VAL 329.A O no hydrogen 3.037 N/A CYS 253.A N GLU 327.A O no hydrogen 2.791 N/A CYS 253.A SG LEU 321.A O no hydrogen 3.465 N/A CYS 253.A SG LEU 324.A O no hydrogen 3.651 N/A LEU 256.A N GLY 252.A O no hydrogen 2.920 N/A LYS 257.A N CYS 253.A O no hydrogen 2.874 N/A LYS 257.A NZ ASN 322.A OD1 no hydrogen 2.984 N/A GLN 258.A N ASP 254.A O no hydrogen 2.916 N/A ALA 259.A N LEU 255.A O no hydrogen 3.152 N/A PHE 260.A N LEU 256.A O no hydrogen 3.057 N/A ALA 261.A N LYS 257.A O no hydrogen 2.852 N/A ARG 262.A N GLN 258.A O no hydrogen 3.052 N/A ARG 262.A NE GLU 297.A OE2 no hydrogen 2.858 N/A ARG 262.A NH2 GLU 297.A OE1 no hydrogen 2.992 N/A ALA 263.A N ALA 259.A O no hydrogen 3.026 N/A ALA 264.A N PHE 260.A O no hydrogen 2.852 N/A ILE 265.A N ARG 262.A O no hydrogen 3.152 N/A LEU 266.A N ALA 263.A O no hydrogen 3.123 N/A SER 267.A N ALA 264.A O no hydrogen 3.008 N/A SER 267.A OG ALA 264.A O no hydrogen 2.753 N/A LYS 270.A N ASN 268.A OD1 no hydrogen 2.834 N/A PHE 271.A N ASN 268.A OD1 no hydrogen 2.824 N/A ARG 272.A N ASN 268.A O no hydrogen 2.783 N/A ARG 272.A NE.B SER 315.A OG no hydrogen 2.921 N/A ARG 272.A NH1.A SER 315.A OG no hydrogen 3.065 N/A ARG 272.A NH1.B SER 315.A OG no hydrogen 3.231 N/A VAL 274.A N PHE 312.A O no hydrogen 2.903 N/A ARG 275.A N THR 286.A O no hydrogen 2.947 N/A LEU 276.A N ILE 310.A O no hydrogen 2.775 N/A TYR 277.A N LYS 284.A O no hydrogen 2.792 N/A VAL 278.A N MET 308.A O no hydrogen 2.827 N/A SER 279.A N GLN 282.A O no hydrogen 3.036 N/A ASN 281.A N TYR 303.A O no hydrogen 2.813 N/A GLN 282.A N SER 279.A O no hydrogen 3.018 N/A LEU 283.A N LEU 299.A O no hydrogen 3.074 N/A LYS 284.A N TYR 277.A O no hydrogen 2.961 N/A ILE 285.A N GLU 297.A O no hydrogen 2.756 N/A THR 286.A N ARG 275.A O no hydrogen 2.943 N/A ALA 287.A N ALA 295.A O no hydrogen 3.076 N/A ASN 289.A N GLU 293.A O no hydrogen 3.357 N/A ASN 289.A ND2 GLU 293.A OE1 no hydrogen 2.914 N/A GLN 292.A N ASN 289.A O no hydrogen 2.947 N/A GLU 293.A N ASN 289.A OD1 no hydrogen 3.052 N/A ALA 295.A N ALA 287.A O no hydrogen 2.866 N/A GLU 297.A N ILE 285.A O no hydrogen 2.777 N/A LEU 299.A N LEU 283.A O no hydrogen 2.958 N/A VAL 301.A N ASN 281.A O no hydrogen 3.200 N/A THR 302.A N GLU 250.A O no hydrogen 2.839 N/A TYR 303.A N ASN 281.A OD1 no hydrogen 3.018 N/A TYR 303.A OH ALA 306.A O no hydrogen 2.494 N/A SER 304.A OG GLU 280.A OE2 no hydrogen 3.298 N/A MET 308.A N VAL 278.A O no hydrogen 3.133 N/A ILE 310.A N LEU 276.A O no hydrogen 3.015 N/A PHE 312.A N VAL 274.A O no hydrogen 2.916 N/A VAL 314.A N ARG 272.A O no hydrogen 2.804 N/A TYR 316.A N ASN 313.A OD1 no hydrogen 3.308 N/A VAL 317.A N ASN 313.A O no hydrogen 3.406 N/A LEU 318.A N VAL 314.A O no hydrogen 2.895 N/A ASP 319.A N SER 315.A O no hydrogen 2.905 N/A VAL 320.A N TYR 316.A O no hydrogen 3.281 N/A LEU 321.A N VAL 317.A O no hydrogen 3.036 N/A ASN 322.A N LEU 318.A O no hydrogen 2.855 N/A ALA 323.A N ASP 319.A O no hydrogen 3.055 N/A LEU 324.A N VAL 320.A O no hydrogen 2.881 N/A LYS 325.A NZ ASN 322.A O no hydrogen 3.110 N/A CYS 326.A SG ASN 328.A O no hydrogen 3.590 N/A VAL 329.A N ALA 251.A O no hydrogen 2.791 N/A ARG 330.A N GLU 343.A O no hydrogen 2.812 N/A ARG 330.A NH1 ALA 345.A O no hydrogen 3.433 N/A ARG 330.A NH2 GLU 250.A OE2 no hydrogen 2.846 N/A ARG 330.A NH2 ALA 345.A O no hydrogen 3.348 N/A MET 331.A N LEU 249.A O no hydrogen 2.746 N/A MET 332.A N GLN 341.A O no hydrogen 2.738 N/A LEU 333.A N LYS 247.A O no hydrogen 2.801 N/A VAL 337.A N ASP 335.A OD1 no hydrogen 3.026 N/A SER 338.A N ASP 335.A O no hydrogen 3.333 N/A SER 338.A OG ASP 335.A OD1 no hydrogen 2.612 N/A VAL 340.A N VAL 354.A O no hydrogen 2.953 N/A GLN 341.A N MET 332.A O no hydrogen 3.006 N/A GLN 341.A NE2 GLU 343.A OE2 no hydrogen 2.570 N/A ILE 342.A N TYR 352.A O no hydrogen 2.779 N/A GLU 343.A N ARG 330.A O no hydrogen 2.904 N/A ALA 345.A N ASN 328.A O no hydrogen 2.813 N/A ALA 346.A N ASP 344.A OD1 no hydrogen 2.909 N/A SER 347.A N ASP 344.A O no hydrogen 3.176 N/A SER 347.A OG SER 349.A OG no hydrogen 2.752 N/A SER 349.A N SER 347.A OG no hydrogen 3.107 N/A SER 349.A OG SER 347.A OG no hydrogen 2.752 N/A ALA 351.A N VAL 172.A O no hydrogen 2.831 N/A TYR 352.A N ILE 342.A O no hydrogen 2.955 N/A TYR 352.A OH ALA 134.A O no hydrogen 2.675 N/A VAL 353.A N LEU 170.A O no hydrogen 2.909 N/A VAL 354.A N VAL 340.A O no hydrogen 3.020 N/A MET 355.A N HIS 168.A O no hydrogen 3.165 N/A MET 357.A N GLY 311.A O no hydrogen 2.761 N/A