Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k3l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PRO 56.A O no hydrogen 3.450 N/A LYS 2.A N GLU 55.A O no hydrogen 3.031 N/A PHE 3.A N VAL 81.A O no hydrogen 2.977 N/A VAL 5.A N ILE 79.A O no hydrogen 2.974 N/A ARG 7.A N ALA 77.A O no hydrogen 2.807 N/A ARG 7.A NE CYS 70.A O no hydrogen 2.932 N/A ARG 7.A NH1 GLU 8.A OE2 no hydrogen 3.086 N/A ARG 7.A NH2 ARG 71.A O no hydrogen 2.866 N/A HIS 9.A N GLU 6.A O no hydrogen 2.978 N/A LEU 10.A N ARG 7.A O no hydrogen 2.882 N/A LEU 11.A N ARG 7.A O no hydrogen 3.084 N/A LEU 14.A N LEU 10.A O no hydrogen 2.874 N/A GLN 15.A N LEU 11.A O no hydrogen 2.840 N/A GLN 16.A N LYS 12.A O no hydrogen 2.835 N/A VAL 17.A N PRO 13.A O no hydrogen 3.015 N/A SER 18.A N LEU 14.A O no hydrogen 2.972 N/A SER 18.A OG LEU 14.A O no hydrogen 2.626 N/A GLY 22.A N PRO 19.A O no hydrogen 2.859 N/A ASN 23.A N ILE 20.A O no hydrogen 2.952 N/A ASN 23.A ND2 THR 60.A OG1 no hydrogen 3.011 N/A LEU 24.A N VAL 61.A O no hydrogen 2.741 N/A LEU 25.A N THR 36.A O no hydrogen 2.924 N/A LEU 26.A N THR 59.A O no hydrogen 2.840 N/A GLN 27.A N SER 34.A O no hydrogen 2.961 N/A VAL 28.A N GLY 57.A O no hydrogen 2.795 N/A ALA 29.A N THR 32.A O no hydrogen 3.013 N/A THR 32.A N ALA 29.A O no hydrogen 3.101 N/A LEU 33.A N VAL 48.A O no hydrogen 2.822 N/A SER 34.A N GLN 27.A O no hydrogen 2.841 N/A LEU 35.A N ALA 46.A O no hydrogen 2.850 N/A THR 36.A N LEU 25.A O no hydrogen 2.894 N/A GLY 37.A N MET 44.A O no hydrogen 3.021 N/A THR 38.A OG1 MET 42.A O no hydrogen 2.918 N/A ASP 39.A N MET 42.A O no hydrogen 3.232 N/A LEU 40.A N THR 38.A OG1 no hydrogen 3.103 N/A GLU 41.A N ASP 39.A OD1 no hydrogen 2.857 N/A MET 42.A N ASP 39.A OD1 no hydrogen 2.967 N/A GLU 43.A N THR 221.A O no hydrogen 2.789 N/A MET 44.A N GLY 37.A O no hydrogen 2.956 N/A VAL 45.A N ILE 219.A O no hydrogen 2.824 N/A ALA 46.A N LEU 35.A O no hydrogen 2.826 N/A ARG 47.A N ASP 217.A O no hydrogen 2.961 N/A VAL 48.A N LEU 33.A O no hydrogen 2.737 N/A LEU 50.A N GLY 31.A O no hydrogen 2.878 N/A GLN 52.A NE2 GLU 78.A OE1 no hydrogen 3.130 N/A HIS 54.A ND1 GLN 52.A O no hydrogen 2.756 N/A GLU 55.A N LYS 2.A O no hydrogen 2.903 N/A GLY 57.A N VAL 28.A O no hydrogen 3.062 N/A THR 59.A N LEU 26.A O no hydrogen 3.023 N/A THR 60.A N LEU 102.A O no hydrogen 3.188 N/A THR 60.A OG1 LEU 102.A O no hydrogen 2.740 N/A VAL 61.A N LEU 24.A O no hydrogen 3.060 N/A ALA 63.A N GLY 22.A O no hydrogen 2.935 N/A PHE 66.A N PRO 62.A O no hydrogen 3.082 N/A PHE 67.A N ALA 63.A O no hydrogen 2.929 N/A ASP 68.A N ARG 64.A O no hydrogen 2.807 N/A ILE 69.A N LYS 65.A O no hydrogen 2.942 N/A CYS 70.A N PHE 66.A O no hydrogen 3.058 N/A CYS 70.A SG PHE 66.A O no hydrogen 3.427 N/A ARG 71.A N PHE 67.A O no hydrogen 2.879 N/A ARG 71.A NH1.B ASP 68.A OD1 no hydrogen 3.062 N/A GLY 72.A N ASP 68.A O no hydrogen 2.863 N/A LEU 73.A N CYS 70.A O no hydrogen 3.283 N/A GLY 76.A N GLU 8.A OE2 no hydrogen 2.888 N/A ALA 77.A N PRO 74.A O no hydrogen 3.088 N/A ILE 79.A N VAL 5.A O no hydrogen 2.782 N/A ALA 80.A N ARG 91.A O no hydrogen 2.807 N/A VAL 81.A N PHE 3.A O no hydrogen 2.781 N/A GLN 82.A N LEU 89.A O no hydrogen 3.030 N/A LEU 83.A N MET 1.A O no hydrogen 3.057 N/A GLU 84.A N ARG 87.A O no hydrogen 2.849 N/A ARG 87.A N GLU 84.A O no hydrogen 3.011 N/A MET 88.A N LEU 99.A O no hydrogen 2.915 N/A LEU 89.A N GLN 82.A O no hydrogen 2.828 N/A VAL 90.A N PHE 97.A O no hydrogen 2.817 N/A ARG 91.A N ALA 80.A O no hydrogen 2.768 N/A SER 92.A N SER 95.A O no hydrogen 2.974 N/A SER 92.A OG GLU 78.A O no hydrogen 2.660 N/A SER 95.A N SER 92.A O no hydrogen 2.854 N/A PHE 97.A N VAL 90.A O no hydrogen 2.816 N/A LEU 99.A N MET 88.A O no hydrogen 2.868 N/A THR 101.A OG1 GLU 86.A O no hydrogen 2.650 N/A LEU 102.A N THR 60.A O no hydrogen 3.189 N/A LEU 102.A N THR 60.A OG1 no hydrogen 3.317 N/A ASP 106.A N PRO 103.A O no hydrogen 3.041 N/A PHE 107.A N ALA 104.A O no hydrogen 2.993 N/A SER 115.A OG GLU 118.A OE2 no hydrogen 2.690 N/A GLU 116.A N ILE 206.A O no hydrogen 2.798 N/A VAL 117.A N ILE 206.A O no hydrogen 3.027 N/A PHE 119.A N VAL 204.A O no hydrogen 3.170 N/A THR 120.A N GLN 177.A OE1 no hydrogen 3.070 N/A LEU 121.A N LEU 202.A O no hydrogen 2.928 N/A GLN 123.A NE2 ASP 199.A OD1 no hydrogen 2.963 N/A THR 125.A N PRO 122.A O no hydrogen 3.071 N/A MET 126.A N PRO 122.A O no hydrogen 3.322 N/A LYS 127.A N GLN 123.A O no hydrogen 2.948 N/A LYS 127.A NZ GLU 131.A OE1.A no hydrogen 3.089 N/A LYS 127.A NZ GLU 131.A OE1.B no hydrogen 2.846 N/A ARG 128.A N ALA 124.A O no hydrogen 2.973 N/A ARG 128.A NH2 SER 344.A OG no hydrogen 2.611 N/A LEU 129.A N THR 125.A O no hydrogen 2.992 N/A ILE 130.A N MET 126.A O no hydrogen 2.997 N/A GLU 131.A N LYS 127.A O no hydrogen 2.901 N/A ALA 132.A N ARG 128.A O no hydrogen 3.007 N/A THR 133.A N ILE 130.A O no hydrogen 3.077 N/A THR 133.A OG1 LEU 129.A O no hydrogen 3.179 N/A THR 133.A OG1 THR 160.A OG1 no hydrogen 3.289 N/A GLN 134.A N ILE 130.A O no hydrogen 2.868 N/A SER 136.A N THR 133.A O no hydrogen 2.945 N/A MET 137.A N GLN 134.A O no hydrogen 3.158 N/A ALA 138.A N LEU 146.A O no hydrogen 2.889 N/A ASP 141.A N ASN 147.A OD1 no hydrogen 2.837 N/A ARG 143.A N ASP 141.A OD1 no hydrogen 2.769 N/A ARG 143.A NE ASP 141.A OD1 no hydrogen 2.910 N/A ARG 143.A NH2 ASP 141.A OD2 no hydrogen 2.957 N/A LEU 146.A N ARG 143.A O no hydrogen 2.940 N/A ASN 147.A N TYR 144.A O no hydrogen 2.924 N/A ASN 147.A ND2 ASP 141.A O no hydrogen 2.965 N/A GLY 148.A N TYR 145.A O no hydrogen 3.323 N/A MET 149.A N VAL 186.A O no hydrogen 2.882 N/A LEU 150.A N VAL 161.A O no hydrogen 2.984 N/A PHE 151.A N VAL 184.A O no hydrogen 2.815 N/A GLU 152.A N ARG 159.A O no hydrogen 2.806 N/A THR 153.A N HIS 182.A O no hydrogen 2.785 N/A THR 153.A OG1 PRO 180.A O no hydrogen 2.709 N/A THR 153.A OG1 HIS 182.A O no hydrogen 3.329 N/A GLU 154.A N GLU 157.A O no hydrogen 3.106 N/A GLU 157.A N GLU 154.A O no hydrogen 2.923 N/A LEU 158.A N MET 173.A O no hydrogen 2.922 N/A ARG 159.A N GLU 152.A O no hydrogen 2.787 N/A ARG 159.A NE SER 172.A OG no hydrogen 2.735 N/A ARG 159.A NH1 GLU 152.A OE1 no hydrogen 2.885 N/A ARG 159.A NH1 GLU 154.A OE1 no hydrogen 2.837 N/A ARG 159.A NH2 GLU 154.A OE1 no hydrogen 3.236 N/A THR 160.A N CYS 171.A O no hydrogen 2.874 N/A THR 160.A OG1 LEU 129.A O no hydrogen 2.780 N/A THR 160.A OG1 THR 133.A OG1 no hydrogen 3.289 N/A VAL 161.A N LEU 150.A O no hydrogen 3.019 N/A ALA 162.A N ALA 169.A O no hydrogen 2.935 N/A THR 163.A OG1 ARG 167.A O no hydrogen 2.750 N/A ASP 164.A N ARG 167.A O no hydrogen 3.278 N/A GLY 165.A N THR 163.A OG1 no hydrogen 3.240 N/A HIS 166.A N ASP 164.A OD1 no hydrogen 2.894 N/A ARG 167.A N ASP 164.A OD1 no hydrogen 3.020 N/A ARG 167.A NE ASP 164.A OD2 no hydrogen 2.902 N/A ARG 167.A NH1 ASP 314.A OD2 no hydrogen 2.858 N/A ARG 167.A NH2 ASP 314.A OD2 no hydrogen 3.471 N/A LEU 168.A N VAL 348.A O no hydrogen 2.822 N/A ALA 169.A N ALA 162.A O no hydrogen 2.861 N/A VAL 170.A N ALA 346.A O no hydrogen 2.945 N/A CYS 171.A N THR 160.A O no hydrogen 3.030 N/A CYS 171.A SG SER 344.A O no hydrogen 3.646 N/A SER 172.A N SER 344.A O no hydrogen 2.917 N/A MET 173.A N LEU 158.A O no hydrogen 2.881 N/A ILE 175.A N GLU 156.A O no hydrogen 2.860 N/A GLN 177.A NE2 THR 120.A O no hydrogen 2.501 N/A GLN 177.A NE2 ILE 175.A O no hydrogen 2.932 N/A LEU 179.A N GLY 155.A O no hydrogen 2.781 N/A HIS 182.A N THR 153.A O no hydrogen 3.063 N/A VAL 184.A N PHE 151.A O no hydrogen 2.967 N/A VAL 186.A N MET 149.A O no hydrogen 2.887 N/A ARG 188.A NH1.B ALA 138.A O no hydrogen 2.555 N/A VAL 191.A N PRO 187.A O no hydrogen 2.978 N/A ILE 192.A N ARG 188.A O no hydrogen 3.085 N/A GLU 193.A N LYS 189.A O no hydrogen 2.971 N/A LEU 194.A N GLY 190.A O no hydrogen 2.895 N/A MET 195.A N VAL 191.A O no hydrogen 3.014 N/A ARG 196.A N ILE 192.A O no hydrogen 2.986 N/A MET 197.A N GLU 193.A O no hydrogen 3.143 N/A LEU 198.A N MET 195.A O no hydrogen 3.143 N/A LEU 202.A N LEU 121.A O no hydrogen 2.834 N/A ARG 203.A N HIS 214.A O no hydrogen 2.984 N/A ARG 203.A NH1.A GLU 118.A OE1 no hydrogen 2.830 N/A ARG 203.A NH2.A THR 120.A OG1 no hydrogen 3.013 N/A VAL 204.A N PHE 119.A O no hydrogen 2.845 N/A GLN 205.A N ARG 212.A O no hydrogen 2.809 N/A GLN 205.A NE2 GLU 118.A OE2 no hydrogen 2.947 N/A ILE 206.A N VAL 117.A O no hydrogen 2.776 N/A GLY 207.A N ASN 210.A O no hydrogen 2.835 N/A SER 208.A OG ASN 209.A OD1 no hydrogen 2.935 N/A ASN 210.A ND2 SER 222.A O no hydrogen 3.617 N/A ILE 211.A N SER 222.A O no hydrogen 2.970 N/A ARG 212.A N GLN 205.A O no hydrogen 2.731 N/A ARG 212.A NE THR 221.A OG1 no hydrogen 2.812 N/A ARG 212.A NH2 THR 221.A OG1 no hydrogen 3.261 N/A ALA 213.A N PHE 220.A O no hydrogen 2.857 N/A HIS 214.A N ARG 203.A O no hydrogen 2.785 N/A VAL 215.A N PHE 218.A O no hydrogen 2.988 N/A PHE 218.A N VAL 215.A O no hydrogen 2.922 N/A ILE 219.A N VAL 45.A O no hydrogen 2.828 N/A PHE 220.A N ALA 213.A O no hydrogen 2.906 N/A THR 221.A N GLU 43.A O no hydrogen 2.872 N/A SER 222.A N ILE 211.A O no hydrogen 2.907 N/A SER 222.A OG LYS 223.A O no hydrogen 2.841 N/A LYS 223.A N GLU 41.A O no hydrogen 2.913 N/A LYS 223.A NZ LEU 40.A O no hydrogen 3.396 N/A LYS 223.A NZ GLU 41.A OE2 no hydrogen 3.551 N/A LEU 224.A N ASN 209.A O no hydrogen 2.983 N/A VAL 225.A N ILE 185.A O no hydrogen 2.816 N/A ARG 233.A N ASP 231.A OD1 no hydrogen 2.884 N/A ARG 233.A NH1 ASP 231.A OD1 no hydrogen 2.775 N/A ARG 233.A NH2 GLU 152.A OE1 no hydrogen 3.393 N/A ARG 233.A NH2 GLU 152.A OE2 no hydrogen 2.771 N/A ARG 233.A NH2 GLU 154.A OE1 no hydrogen 3.038 N/A ARG 234.A N ASP 231.A O no hydrogen 2.991 N/A VAL 235.A N TYR 232.A O no hydrogen 2.871 N/A LEU 236.A N TYR 232.A O no hydrogen 2.987 N/A ASP 241.A N ASN 239.A O no hydrogen 2.952 N/A LYS 242.A N LEU 328.A O no hydrogen 3.311 N/A LYS 242.A NZ THR 329.A O no hydrogen 2.971 N/A LEU 244.A N MET 326.A O no hydrogen 2.853 N/A GLU 245.A N THR 297.A O no hydrogen 2.937 N/A ALA 246.A N VAL 324.A O no hydrogen 3.068 N/A CYS 248.A N GLU 322.A O no hydrogen 2.998 N/A LEU 251.A N GLY 247.A O no hydrogen 2.912 N/A LYS 252.A N CYS 248.A O no hydrogen 2.850 N/A LYS 252.A NZ ASN 317.A OD1 no hydrogen 3.028 N/A GLN 253.A N ASP 249.A O no hydrogen 2.966 N/A ALA 254.A N LEU 250.A O no hydrogen 3.134 N/A PHE 255.A N LEU 251.A O no hydrogen 2.998 N/A ALA 256.A N LYS 252.A O no hydrogen 2.831 N/A ARG 257.A N GLN 253.A O no hydrogen 2.985 N/A ARG 257.A NE GLU 292.A OE2 no hydrogen 2.752 N/A ARG 257.A NH2 GLU 292.A OE1 no hydrogen 2.952 N/A ALA 258.A N ALA 254.A O no hydrogen 2.990 N/A ALA 259.A N PHE 255.A O no hydrogen 2.838 N/A ILE 260.A N ARG 257.A O no hydrogen 3.109 N/A LEU 261.A N ALA 258.A O no hydrogen 3.065 N/A SER 262.A N ALA 259.A O no hydrogen 3.017 N/A SER 262.A OG ALA 259.A O no hydrogen 2.768 N/A LYS 265.A N ASN 263.A OD1 no hydrogen 2.965 N/A PHE 266.A N ASN 263.A OD1 no hydrogen 2.956 N/A ARG 267.A N ASN 263.A O no hydrogen 2.783 N/A ARG 267.A NE SER 310.A OG.A no hydrogen 2.943 N/A ARG 267.A NH2 SER 310.A OG.A no hydrogen 3.195 N/A VAL 269.A N PHE 307.A O no hydrogen 2.894 N/A ARG 270.A N THR 281.A O no hydrogen 2.909 N/A ARG 270.A NE TYR 272.A OH no hydrogen 3.466 N/A LEU 271.A N ILE 305.A O no hydrogen 2.787 N/A TYR 272.A N LYS 279.A O no hydrogen 2.770 N/A VAL 273.A N MET 303.A O no hydrogen 2.880 N/A SER 274.A N GLN 277.A O no hydrogen 2.961 N/A ASN 276.A N TYR 298.A O no hydrogen 2.853 N/A GLN 277.A N SER 274.A O no hydrogen 2.960 N/A LEU 278.A N LEU 294.A O no hydrogen 2.980 N/A LYS 279.A N TYR 272.A O no hydrogen 2.908 N/A ILE 280.A N GLU 292.A O no hydrogen 2.784 N/A THR 281.A N ARG 270.A O no hydrogen 2.889 N/A ALA 282.A N ALA 290.A O no hydrogen 3.036 N/A ASN 284.A N GLU 288.A O no hydrogen 3.320 N/A ASN 284.A ND2 GLU 288.A OE1 no hydrogen 2.943 N/A GLN 287.A N ASN 284.A O no hydrogen 2.997 N/A GLN 287.A NE2 PRO 285.A O no hydrogen 3.177 N/A GLU 288.A N ASN 284.A OD1 no hydrogen 2.985 N/A ALA 290.A N ALA 282.A O no hydrogen 2.848 N/A GLU 292.A N ILE 280.A O no hydrogen 2.857 N/A LEU 294.A N LEU 278.A O no hydrogen 2.896 N/A VAL 296.A N ASN 276.A O no hydrogen 3.210 N/A THR 297.A N GLU 245.A O no hydrogen 2.856 N/A TYR 298.A N ASN 276.A OD1 no hydrogen 2.951 N/A TYR 298.A OH ALA 301.A O no hydrogen 2.554 N/A MET 303.A N VAL 273.A O no hydrogen 3.299 N/A ILE 305.A N LEU 271.A O no hydrogen 3.040 N/A PHE 307.A N VAL 269.A O no hydrogen 2.978 N/A VAL 309.A N ARG 267.A O no hydrogen 2.877 N/A SER 310.A N ASN 308.A OD1 no hydrogen 2.810 N/A SER 310.A OG.B ASN 308.A OD1 no hydrogen 2.587 N/A TYR 311.A N ASN 308.A O no hydrogen 3.185 N/A TYR 311.A N ASN 308.A OD1 no hydrogen 3.396 N/A LEU 313.A N VAL 309.A O no hydrogen 2.849 N/A ASP 314.A N SER 310.A O no hydrogen 2.806 N/A VAL 315.A N TYR 311.A O no hydrogen 3.225 N/A LEU 316.A N VAL 312.A O no hydrogen 3.048 N/A ASN 317.A N LEU 313.A O no hydrogen 2.881 N/A ALA 318.A N ASP 314.A O no hydrogen 3.096 N/A LEU 319.A N VAL 315.A O no hydrogen 2.963 N/A CYS 321.A SG.B ASN 323.A O no hydrogen 3.490 N/A VAL 324.A N ALA 246.A O no hydrogen 2.838 N/A ARG 325.A N GLU 338.A O no hydrogen 2.802 N/A ARG 325.A NE.A GLU 245.A OE1.B no hydrogen 2.737 N/A ARG 325.A NE.A GLU 245.A OE2.A no hydrogen 2.964 N/A ARG 325.A NH1.A ALA 340.A O no hydrogen 3.407 N/A ARG 325.A NH1.B GLU 338.A OE1 no hydrogen 3.156 N/A ARG 325.A NH2.A GLU 245.A OE2.A no hydrogen 2.757 N/A ARG 325.A NH2.A ALA 340.A O no hydrogen 3.061 N/A ARG 325.A NH2.B GLU 245.A OE2.A no hydrogen 3.416 N/A ARG 325.A NH2.B ALA 340.A O no hydrogen 3.496 N/A MET 326.A N LEU 244.A O no hydrogen 2.778 N/A MET 327.A N GLN 336.A O no hydrogen 2.787 N/A LEU 328.A N LYS 242.A O no hydrogen 2.825 N/A VAL 332.A N ASP 330.A OD1 no hydrogen 2.984 N/A SER 333.A N ASP 330.A O no hydrogen 3.296 N/A SER 333.A OG ASP 330.A OD1 no hydrogen 2.667 N/A SER 333.A OG ASP 330.A OD2 no hydrogen 3.512 N/A VAL 335.A N VAL 349.A O no hydrogen 3.005 N/A GLN 336.A N MET 327.A O no hydrogen 3.092 N/A GLN 336.A NE2 GLU 338.A OE2 no hydrogen 2.709 N/A ILE 337.A N TYR 347.A O no hydrogen 2.759 N/A GLU 338.A N ARG 325.A O no hydrogen 2.975 N/A ALA 340.A N ASN 323.A O no hydrogen 2.978 N/A ALA 341.A N ASP 339.A OD1 no hydrogen 2.764 N/A SER 342.A N ASP 339.A O no hydrogen 3.223 N/A SER 342.A OG SER 344.A OG no hydrogen 2.733 N/A SER 344.A N SER 342.A OG no hydrogen 3.177 N/A SER 344.A OG SER 342.A OG no hydrogen 2.733 N/A ALA 346.A N VAL 170.A O no hydrogen 2.840 N/A TYR 347.A N ILE 337.A O no hydrogen 2.970 N/A TYR 347.A OH ALA 132.A O no hydrogen 2.653 N/A VAL 348.A N LEU 168.A O no hydrogen 2.925 N/A VAL 349.A N VAL 335.A O no hydrogen 2.992 N/A MET 350.A N HIS 166.A O no hydrogen 2.984 N/A MET 352.A N GLY 306.A O no hydrogen 2.773 N/A