Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k3r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N GLU 57.A O no hydrogen 3.054 N/A PHE 3.A N VAL 83.A O no hydrogen 3.052 N/A VAL 5.A N ILE 81.A O no hydrogen 3.082 N/A ARG 7.A N ALA 79.A O no hydrogen 2.755 N/A ARG 7.A NE CYS 72.A O no hydrogen 2.916 N/A ARG 7.A NH1 GLU 8.A OE2 no hydrogen 3.122 N/A ARG 7.A NH1 GLU 77.A OE1 no hydrogen 3.183 N/A ARG 7.A NH2 ARG 73.A O no hydrogen 2.984 N/A HIS 9.A N GLU 6.A O no hydrogen 3.099 N/A LEU 10.A N ARG 7.A O no hydrogen 3.015 N/A LEU 11.A N ARG 7.A O no hydrogen 2.911 N/A LEU 14.A N LEU 10.A O no hydrogen 2.949 N/A GLN 15.A N LEU 11.A O no hydrogen 2.863 N/A GLN 16.A N LYS 12.A O no hydrogen 2.884 N/A VAL 17.A N PRO 13.A O no hydrogen 3.028 N/A SER 18.A N LEU 14.A O no hydrogen 2.894 N/A SER 18.A OG LEU 14.A O no hydrogen 2.698 N/A LEU 23.A N LEU 20.A O no hydrogen 3.028 N/A GLY 24.A N PRO 21.A O no hydrogen 2.881 N/A ASN 25.A N ILE 22.A O no hydrogen 3.013 N/A LEU 26.A N VAL 63.A O.A no hydrogen 2.734 N/A LEU 26.A N VAL 63.A O.B no hydrogen 2.785 N/A LEU 27.A N THR 38.A O no hydrogen 2.958 N/A LEU 28.A N THR 61.A O no hydrogen 2.738 N/A GLN 29.A N SER 36.A O no hydrogen 2.918 N/A VAL 30.A N GLY 59.A O no hydrogen 2.855 N/A ALA 31.A N THR 34.A O no hydrogen 3.049 N/A THR 34.A N ALA 31.A O no hydrogen 3.047 N/A LEU 35.A N VAL 50.A O no hydrogen 2.771 N/A SER 36.A N GLN 29.A O no hydrogen 2.769 N/A LEU 37.A N ALA 48.A O no hydrogen 3.005 N/A THR 38.A N LEU 27.A O no hydrogen 2.946 N/A GLY 39.A N MET 46.A O no hydrogen 3.024 N/A THR 40.A OG1 MET 44.A O no hydrogen 2.831 N/A ASP 41.A N MET 44.A O no hydrogen 3.229 N/A LEU 42.A N THR 40.A OG1 no hydrogen 2.970 N/A GLU 43.A N ASP 41.A OD1 no hydrogen 2.756 N/A MET 44.A N ASP 41.A OD1 no hydrogen 2.746 N/A GLU 45.A N THR 226.A O no hydrogen 2.736 N/A MET 46.A N GLY 39.A O no hydrogen 2.946 N/A VAL 47.A N ILE 224.A O no hydrogen 2.812 N/A ALA 48.A N LEU 37.A O no hydrogen 2.911 N/A ARG 49.A N ASP 222.A O no hydrogen 2.917 N/A VAL 50.A N LEU 35.A O no hydrogen 2.751 N/A LEU 52.A N GLY 33.A O no hydrogen 3.086 N/A GLN 54.A NE2 GLU 80.A OE2 no hydrogen 2.687 N/A HIS 56.A ND1 GLN 54.A O no hydrogen 2.877 N/A GLU 57.A N LYS 2.A O no hydrogen 2.821 N/A GLY 59.A N VAL 30.A O no hydrogen 3.130 N/A THR 61.A N LEU 28.A O no hydrogen 2.954 N/A THR 62.A N THR 61.A OG1 no hydrogen 2.726 N/A VAL 63.A N.A LEU 26.A O no hydrogen 3.050 N/A VAL 63.A N.B LEU 26.A O no hydrogen 3.051 N/A ALA 65.A N GLY 24.A O no hydrogen 2.948 N/A PHE 68.A N PRO 64.A O no hydrogen 3.024 N/A PHE 69.A N ALA 65.A O no hydrogen 2.937 N/A ASP 70.A N ARG 66.A O no hydrogen 2.797 N/A ILE 71.A N LYS 67.A O no hydrogen 3.018 N/A CYS 72.A N PHE 68.A O no hydrogen 3.163 N/A CYS 72.A SG PHE 68.A O no hydrogen 3.379 N/A ARG 73.A N PHE 69.A O no hydrogen 2.841 N/A ARG 73.A NH1 ARG 73.A O no hydrogen 2.762 N/A GLY 74.A N ASP 70.A O no hydrogen 2.881 N/A LEU 75.A N ILE 71.A O no hydrogen 3.203 N/A LEU 75.A N CYS 72.A O no hydrogen 3.235 N/A GLY 78.A N GLU 8.A OE2 no hydrogen 3.367 N/A ALA 79.A N PRO 76.A O no hydrogen 3.060 N/A ILE 81.A N VAL 5.A O no hydrogen 2.763 N/A ALA 82.A N ARG 93.A O no hydrogen 2.826 N/A VAL 83.A N PHE 3.A O no hydrogen 2.824 N/A GLN 84.A N LEU 91.A O no hydrogen 3.039 N/A LEU 85.A N MET 1.A O no hydrogen 3.150 N/A GLU 86.A N ARG 89.A O no hydrogen 2.852 N/A ARG 89.A N GLU 86.A O no hydrogen 3.072 N/A MET 90.A N LEU 101.A O no hydrogen 2.920 N/A LEU 91.A N GLN 84.A O no hydrogen 2.788 N/A VAL 92.A N PHE 99.A O no hydrogen 2.842 N/A ARG 93.A N ALA 82.A O no hydrogen 2.794 N/A SER 94.A N SER 97.A O no hydrogen 2.996 N/A SER 94.A OG GLU 80.A O no hydrogen 2.721 N/A SER 97.A N SER 94.A O no hydrogen 2.802 N/A SER 97.A OG SER 94.A O no hydrogen 3.465 N/A PHE 99.A N VAL 92.A O no hydrogen 2.859 N/A LEU 101.A N MET 90.A O no hydrogen 2.911 N/A THR 103.A OG1 GLU 88.A O no hydrogen 2.775 N/A LEU 104.A N THR 62.A O no hydrogen 3.172 N/A ASP 108.A N PRO 105.A O no hydrogen 3.067 N/A PHE 109.A N ALA 106.A O no hydrogen 2.964 N/A SER 117.A OG GLU 120.A OE2 no hydrogen 2.866 N/A GLU 118.A N ILE 211.A O no hydrogen 2.832 N/A VAL 119.A N ILE 211.A O no hydrogen 3.060 N/A PHE 121.A N VAL 209.A O no hydrogen 3.223 N/A THR 122.A N GLN 179.A OE1 no hydrogen 3.122 N/A LEU 123.A N LEU 207.A O no hydrogen 3.036 N/A GLN 125.A NE2 ASP 201.A OD2 no hydrogen 3.045 N/A THR 127.A N PRO 124.A O no hydrogen 2.990 N/A MET 128.A N PRO 124.A O no hydrogen 3.370 N/A LYS 129.A N GLN 125.A O no hydrogen 3.020 N/A LYS 129.A NZ GLU 133.A OE1.A no hydrogen 2.918 N/A LYS 129.A NZ GLU 133.A OE1.B no hydrogen 3.029 N/A ARG 130.A N ALA 126.A O no hydrogen 3.019 N/A LEU 131.A N THR 127.A O no hydrogen 2.985 N/A ILE 132.A N MET 128.A O no hydrogen 2.977 N/A GLU 133.A N.A LYS 129.A O no hydrogen 3.001 N/A GLU 133.A N.B LYS 129.A O no hydrogen 3.010 N/A ALA 134.A N ARG 130.A O no hydrogen 3.085 N/A THR 135.A N ILE 132.A O no hydrogen 3.058 N/A THR 135.A OG1 LEU 131.A O no hydrogen 3.158 N/A THR 135.A OG1 ILE 132.A O no hydrogen 3.457 N/A THR 135.A OG1 THR 162.A OG1 no hydrogen 3.254 N/A GLN 136.A N ILE 132.A O no hydrogen 2.811 N/A SER 138.A N THR 135.A O no hydrogen 2.943 N/A MET 139.A N GLN 136.A O no hydrogen 3.237 N/A ALA 140.A N LEU 148.A O no hydrogen 2.817 N/A ASP 143.A N ASN 149.A OD1 no hydrogen 2.787 N/A ARG 145.A N ASP 143.A OD1 no hydrogen 2.704 N/A ARG 145.A NE ASP 143.A OD1 no hydrogen 2.909 N/A ARG 145.A NH2 ASP 143.A OD2 no hydrogen 3.001 N/A LEU 148.A N ARG 145.A O no hydrogen 2.942 N/A ASN 149.A N TYR 146.A O no hydrogen 2.957 N/A ASN 149.A ND2 ASP 143.A O no hydrogen 2.979 N/A MET 151.A N VAL 188.A O no hydrogen 2.826 N/A LEU 152.A N VAL 163.A O no hydrogen 2.953 N/A PHE 153.A N VAL 186.A O no hydrogen 2.788 N/A GLU 154.A N ARG 161.A O no hydrogen 2.749 N/A THR 155.A N HIS 184.A O no hydrogen 2.782 N/A THR 155.A OG1 PRO 182.A O no hydrogen 2.508 N/A THR 155.A OG1 HIS 184.A O no hydrogen 3.370 N/A GLU 156.A N GLU 159.A O no hydrogen 3.088 N/A GLU 159.A N GLU 156.A O no hydrogen 2.977 N/A LEU 160.A N MET 175.A O no hydrogen 2.931 N/A ARG 161.A N GLU 154.A O no hydrogen 2.750 N/A ARG 161.A NE SER 174.A OG no hydrogen 2.714 N/A ARG 161.A NH1 GLU 154.A OE1 no hydrogen 2.837 N/A ARG 161.A NH1 GLU 156.A OE1 no hydrogen 2.933 N/A ARG 161.A NH2 GLU 156.A OE1 no hydrogen 3.021 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 2.721 N/A THR 162.A OG1 THR 135.A OG1 no hydrogen 3.254 N/A VAL 163.A N LEU 152.A O no hydrogen 2.998 N/A ALA 164.A N ALA 171.A O no hydrogen 2.969 N/A THR 165.A OG1 ARG 169.A O no hydrogen 2.773 N/A ASP 166.A N ARG 169.A O no hydrogen 3.328 N/A HIS 168.A N ASP 166.A OD1 no hydrogen 2.835 N/A ARG 169.A N ASP 166.A OD1 no hydrogen 2.921 N/A ARG 169.A NE ASP 166.A OD2 no hydrogen 2.885 N/A ARG 169.A NH1 ASP 319.A OD2 no hydrogen 2.908 N/A ARG 169.A NH2 ASP 319.A OD2 no hydrogen 3.453 N/A LEU 170.A N VAL 353.A O no hydrogen 2.695 N/A ALA 171.A N ALA 164.A O no hydrogen 2.820 N/A VAL 172.A N ALA 351.A O no hydrogen 2.917 N/A CYS 173.A N THR 162.A O no hydrogen 3.030 N/A CYS 173.A SG SER 349.A O no hydrogen 3.607 N/A SER 174.A N SER 349.A O no hydrogen 3.001 N/A MET 175.A N LEU 160.A O no hydrogen 2.924 N/A ILE 177.A N GLU 158.A O no hydrogen 2.905 N/A GLN 179.A NE2 THR 122.A O no hydrogen 2.494 N/A GLN 179.A NE2 ILE 177.A O no hydrogen 3.244 N/A LEU 181.A N GLY 157.A O no hydrogen 2.846 N/A HIS 184.A N THR 155.A O no hydrogen 3.089 N/A VAL 186.A N PHE 153.A O no hydrogen 2.997 N/A VAL 188.A N MET 151.A O no hydrogen 2.832 N/A ARG 190.A NH1.A ALA 140.A O no hydrogen 2.739 N/A VAL 193.A N PRO 189.A O no hydrogen 3.070 N/A ILE 194.A N ARG 190.A O.A no hydrogen 3.049 N/A ILE 194.A N ARG 190.A O.B no hydrogen 3.066 N/A GLU 195.A N LYS 191.A O no hydrogen 3.200 N/A LEU 196.A N GLY 192.A O no hydrogen 2.855 N/A MET 197.A N VAL 193.A O no hydrogen 3.033 N/A ARG 198.A N ILE 194.A O no hydrogen 2.909 N/A ARG 198.A NE GLU 195.A OE1 no hydrogen 3.043 N/A ARG 198.A NH1 GLN 15.A O no hydrogen 3.430 N/A ARG 198.A NH2 GLU 195.A OE1 no hydrogen 2.751 N/A MET 199.A N GLU 195.A O no hydrogen 3.079 N/A LEU 200.A N MET 197.A O no hydrogen 3.312 N/A GLY 202.A N GLN 125.A OE1 no hydrogen 2.571 N/A GLY 203.A N GLN 125.A OE1 no hydrogen 3.119 N/A LEU 207.A N LEU 123.A O no hydrogen 2.847 N/A ARG 208.A N HIS 219.A O no hydrogen 2.961 N/A VAL 209.A N PHE 121.A O no hydrogen 2.854 N/A GLN 210.A N ARG 217.A O no hydrogen 2.777 N/A GLN 210.A NE2 GLU 120.A OE2 no hydrogen 2.785 N/A ILE 211.A N VAL 119.A O no hydrogen 2.806 N/A GLY 212.A N ASN 215.A O no hydrogen 2.775 N/A ASN 215.A ND2 SER 227.A O no hydrogen 3.472 N/A ILE 216.A N SER 227.A O no hydrogen 2.918 N/A ARG 217.A N GLN 210.A O no hydrogen 2.766 N/A ARG 217.A NE THR 226.A OG1 no hydrogen 3.150 N/A ARG 217.A NH2 THR 226.A OG1 no hydrogen 3.334 N/A ALA 218.A N PHE 225.A O no hydrogen 2.849 N/A HIS 219.A N ARG 208.A O no hydrogen 2.765 N/A HIS 219.A NE2 GLN 210.A OE1 no hydrogen 2.723 N/A VAL 220.A N PHE 223.A O no hydrogen 3.008 N/A PHE 223.A N VAL 220.A O no hydrogen 2.822 N/A ILE 224.A N VAL 47.A O no hydrogen 2.767 N/A PHE 225.A N ALA 218.A O no hydrogen 2.927 N/A THR 226.A N GLU 45.A O no hydrogen 2.830 N/A SER 227.A N ILE 216.A O no hydrogen 2.931 N/A SER 227.A OG LYS 228.A O no hydrogen 2.770 N/A LYS 228.A N GLU 43.A O no hydrogen 3.114 N/A LEU 229.A N ASN 214.A O no hydrogen 2.989 N/A VAL 230.A N ILE 187.A O no hydrogen 2.812 N/A ARG 238.A N ASP 236.A OD1 no hydrogen 2.966 N/A ARG 238.A NE ASP 236.A OD1 no hydrogen 3.093 N/A ARG 238.A NE ASP 236.A OD2 no hydrogen 3.299 N/A ARG 238.A NH2 ASP 236.A OD2 no hydrogen 2.996 N/A ARG 239.A N ASP 236.A O no hydrogen 3.169 N/A VAL 240.A N TYR 237.A O no hydrogen 3.143 N/A LYS 247.A N LEU 333.A O no hydrogen 3.382 N/A LYS 247.A NZ ASP 246.A OD2 no hydrogen 2.752 N/A LYS 247.A NZ THR 334.A O no hydrogen 2.597 N/A LEU 249.A N MET 331.A O no hydrogen 2.874 N/A GLU 250.A N THR 302.A O no hydrogen 2.887 N/A ALA 251.A N VAL 329.A O no hydrogen 3.117 N/A CYS 253.A N GLU 327.A O no hydrogen 2.831 N/A CYS 253.A SG LEU 321.A O no hydrogen 3.567 N/A CYS 253.A SG LEU 324.A O no hydrogen 3.593 N/A LEU 256.A N GLY 252.A O no hydrogen 3.027 N/A LYS 257.A N CYS 253.A O no hydrogen 2.869 N/A LYS 257.A NZ ASN 322.A OD1 no hydrogen 2.862 N/A GLN 258.A N ASP 254.A O no hydrogen 2.877 N/A ALA 259.A N LEU 255.A O no hydrogen 3.088 N/A PHE 260.A N LEU 256.A O no hydrogen 2.948 N/A ALA 261.A N LYS 257.A O no hydrogen 2.816 N/A ARG 262.A N GLN 258.A O no hydrogen 3.014 N/A ARG 262.A NE GLU 297.A OE2 no hydrogen 2.856 N/A ARG 262.A NH2 GLU 297.A OE1 no hydrogen 2.904 N/A ALA 263.A N ALA 259.A O no hydrogen 2.984 N/A ALA 264.A N PHE 260.A O no hydrogen 2.930 N/A ILE 265.A N ARG 262.A O no hydrogen 3.139 N/A LEU 266.A N ALA 263.A O no hydrogen 3.169 N/A SER 267.A N ALA 264.A O no hydrogen 3.025 N/A SER 267.A OG ALA 264.A O no hydrogen 2.725 N/A LYS 270.A N ASN 268.A OD1 no hydrogen 2.779 N/A PHE 271.A N ASN 268.A OD1 no hydrogen 2.695 N/A ARG 272.A N ASN 268.A O no hydrogen 2.768 N/A ARG 272.A NH1 SER 315.A OG no hydrogen 3.078 N/A VAL 274.A N PHE 312.A O no hydrogen 2.829 N/A ARG 275.A N THR 286.A O no hydrogen 2.876 N/A LEU 276.A N ILE 310.A O no hydrogen 2.768 N/A TYR 277.A N LYS 284.A O no hydrogen 2.876 N/A TYR 277.A OH GLU 309.A OE2 no hydrogen 2.875 N/A VAL 278.A N MET 308.A O no hydrogen 2.909 N/A SER 279.A N GLN 282.A O no hydrogen 3.037 N/A ASN 281.A N TYR 303.A O no hydrogen 3.227 N/A GLN 282.A N SER 279.A O no hydrogen 2.945 N/A LEU 283.A N LEU 299.A O no hydrogen 3.010 N/A LYS 284.A N TYR 277.A O no hydrogen 3.041 N/A ILE 285.A N GLU 297.A O no hydrogen 2.778 N/A THR 286.A N ARG 275.A O no hydrogen 2.898 N/A ALA 287.A N ALA 295.A O no hydrogen 3.110 N/A ASN 289.A N GLU 293.A O no hydrogen 3.339 N/A ASN 289.A ND2 GLU 293.A OE1 no hydrogen 2.980 N/A GLN 292.A N ASN 289.A O no hydrogen 2.922 N/A GLU 293.A N ASN 289.A OD1 no hydrogen 2.946 N/A ALA 295.A N ALA 287.A O no hydrogen 2.867 N/A GLU 297.A N ILE 285.A O no hydrogen 2.811 N/A LEU 299.A N LEU 283.A O no hydrogen 2.801 N/A VAL 301.A N ASN 281.A O no hydrogen 3.340 N/A THR 302.A N GLU 250.A O no hydrogen 2.891 N/A TYR 303.A N ASN 281.A OD1 no hydrogen 3.039 N/A TYR 303.A OH ALA 306.A O no hydrogen 2.504 N/A MET 308.A N VAL 278.A O no hydrogen 3.118 N/A ILE 310.A N LEU 276.A O no hydrogen 2.896 N/A PHE 312.A N VAL 274.A O no hydrogen 2.975 N/A VAL 314.A N ARG 272.A O no hydrogen 2.822 N/A SER 315.A N ASN 313.A OD1 no hydrogen 2.841 N/A TYR 316.A N ASN 313.A O no hydrogen 3.117 N/A TYR 316.A N ASN 313.A OD1 no hydrogen 3.436 N/A VAL 317.A N ASN 313.A O no hydrogen 3.361 N/A LEU 318.A N VAL 314.A O no hydrogen 2.869 N/A ASP 319.A N SER 315.A O no hydrogen 2.878 N/A VAL 320.A N TYR 316.A O no hydrogen 3.291 N/A LEU 321.A N VAL 317.A O no hydrogen 3.046 N/A ASN 322.A N LEU 318.A O no hydrogen 2.886 N/A ALA 323.A N ASP 319.A O no hydrogen 3.110 N/A LEU 324.A N VAL 320.A O no hydrogen 2.939 N/A LYS 325.A NZ ASN 322.A O no hydrogen 2.960 N/A CYS 326.A SG ASN 328.A O no hydrogen 3.461 N/A VAL 329.A N ALA 251.A O no hydrogen 2.860 N/A ARG 330.A N GLU 343.A O no hydrogen 2.744 N/A ARG 330.A NH1 ALA 345.A O no hydrogen 3.330 N/A MET 331.A N LEU 249.A O no hydrogen 2.835 N/A MET 332.A N GLN 341.A O no hydrogen 2.745 N/A LEU 333.A N LYS 247.A O no hydrogen 2.876 N/A VAL 337.A N ASP 335.A OD1 no hydrogen 3.204 N/A SER 338.A N ASP 335.A O no hydrogen 3.210 N/A SER 338.A OG ASP 335.A OD1 no hydrogen 2.488 N/A SER 339.A OG VAL 240.A O no hydrogen 2.959 N/A VAL 340.A N VAL 354.A O no hydrogen 2.979 N/A GLN 341.A N MET 332.A O no hydrogen 2.927 N/A GLN 341.A NE2 GLU 343.A OE2 no hydrogen 2.345 N/A ILE 342.A N TYR 352.A O no hydrogen 2.772 N/A GLU 343.A N ARG 330.A O no hydrogen 2.869 N/A ALA 345.A N ASN 328.A O no hydrogen 2.904 N/A ALA 346.A N ASP 344.A OD1 no hydrogen 2.754 N/A SER 347.A N ASP 344.A O no hydrogen 3.280 N/A SER 349.A N SER 347.A OG no hydrogen 3.256 N/A SER 349.A OG SER 347.A OG no hydrogen 3.079 N/A ALA 351.A N VAL 172.A O no hydrogen 2.821 N/A TYR 352.A N ILE 342.A O no hydrogen 2.950 N/A TYR 352.A OH ALA 134.A O no hydrogen 2.699 N/A VAL 353.A N LEU 170.A O no hydrogen 2.796 N/A VAL 354.A N VAL 340.A O no hydrogen 3.098 N/A MET 355.A N HIS 168.A O no hydrogen 3.043 N/A MET 357.A N GLY 311.A O no hydrogen 2.820 N/A