Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ak6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH ASN 15.A O no hydrogen 2.686 N/A ARG 4.A N ASP 2.A OD1 no hydrogen 3.227 N/A ALA 6.A N ASP 2.A O no hydrogen 3.180 N/A ASP 7.A N.A GLU 3.A O no hydrogen 2.929 N/A ASP 7.A N.B GLU 3.A O no hydrogen 2.903 N/A SER 8.A N ARG 4.A O no hydrogen 2.998 N/A LEU 9.A N LYS 5.A O no hydrogen 2.882 N/A LEU 9.A N ALA 6.A O no hydrogen 3.080 N/A GLY 10.A N ASP 7.A O.A no hydrogen 3.145 N/A GLY 10.A N ASP 7.A O.B no hydrogen 2.995 N/A ILE 11.A N ALA 6.A O no hydrogen 3.007 N/A LYS 13.A NZ GLU 3.A OE1 no hydrogen 2.606 N/A ASN 15.A N PRO 12.A O no hydrogen 2.987 N/A MET 21.A N SER 18.A OG no hydrogen 3.149 N/A LYS 22.A N SER 18.A O no hydrogen 2.802 N/A ARG 23.A N ALA 19.A O no hydrogen 3.070 N/A ALA 24.A N ALA 20.A O no hydrogen 3.110 N/A MET 25.A N MET 21.A O no hydrogen 2.757 N/A LYS 26.A N ARG 23.A O no hydrogen 3.062 N/A TRP 27.A N ALA 24.A O no hydrogen 3.260 N/A ASN 32.A ND2 GLN 357.A OE1 no hydrogen 3.369 N/A LYS 33.A NZ ASP 31.A OD2 no hydrogen 3.327 N/A PHE 35.A N ASN 32.A O no hydrogen 3.281 N/A GLU 37.A N TRP 354.A O no hydrogen 2.989 N/A LYS 39.A N SER 352.A O no hydrogen 2.927 N/A GLU 41.A N ARG 350.A O no hydrogen 2.886 N/A LYS 44.A N LEU 108.A O no hydrogen 2.867 N/A ASP 46.A N TRP 110.A O no hydrogen 2.836 N/A ALA 48.A N GLY 45.A O no hydrogen 3.212 N/A TYR 49.A OH GLU 51.A OE1 no hydrogen 2.888 N/A VAL 53.A N GLU 50.A O no hydrogen 3.015 N/A VAL 54.A N SER 75.A O no hydrogen 2.878 N/A ARG 55.A N GLN 346.A O no hydrogen 3.007 N/A ARG 55.A NE GLU 112.A OE2 no hydrogen 2.865 N/A ARG 55.A NH1 GLU 50.A OE1 no hydrogen 2.996 N/A ARG 55.A NH2 GLU 50.A OE1 no hydrogen 3.262 N/A ARG 55.A NH2 GLU 112.A OE1 no hydrogen 2.952 N/A ARG 55.A NH2 GLU 112.A OE2 no hydrogen 3.414 N/A ARG 56.A N SER 73.A O no hydrogen 3.190 N/A ARG 56.A NE ASP 57.A OD2 no hydrogen 2.887 N/A ARG 56.A NH1 TYR 340.A OH no hydrogen 2.913 N/A ARG 56.A NH1 GLN 346.A OE1 no hydrogen 2.877 N/A ARG 56.A NH2 ASP 57.A OD2 no hydrogen 3.508 N/A ASP 57.A N HIS 338.A ND1 no hydrogen 2.862 N/A SER 59.A N TRP 71.A O no hydrogen 2.771 N/A SER 59.A OG ALA 60.A O no hydrogen 2.750 N/A SER 59.A OG TRP 71.A O no hydrogen 3.304 N/A ALA 60.A N GLU 134.A OE1 no hydrogen 2.924 N/A MET 61.A N LEU 318.A O no hydrogen 2.801 N/A LEU 62.A N TYR 69.A O no hydrogen 3.099 N/A LYS 63.A NZ TYR 68.A OH no hydrogen 3.549 N/A ILE 64.A N THR 67.A O no hydrogen 2.929 N/A THR 67.A N ILE 64.A O no hydrogen 3.052 N/A THR 67.A OG1 ASP 66.A OD1 no hydrogen 2.792 N/A TYR 68.A N SER 104.A O no hydrogen 2.858 N/A TYR 69.A N LEU 62.A O no hydrogen 2.774 N/A TYR 69.A OH GLU 170.A OE2 no hydrogen 2.992 N/A VAL 70.A N ALA 102.A O no hydrogen 3.101 N/A TRP 71.A N SER 59.A OG no hydrogen 2.947 N/A TYR 72.A N TRP 100.A O no hydrogen 2.986 N/A TYR 72.A OH GLU 112.A OE2 no hydrogen 2.562 N/A SER 73.A N ARG 56.A O no hydrogen 3.091 N/A LYS 74.A N ASP 98.A O no hydrogen 3.149 N/A LYS 74.A NZ TYR 76.A OH no hydrogen 3.002 N/A LYS 74.A NZ GLU 112.A OE1 no hydrogen 2.954 N/A SER 75.A N VAL 54.A O no hydrogen 3.187 N/A SER 75.A OG PRO 93.A O no hydrogen 2.690 N/A GLY 77.A N GLY 52.A O no hydrogen 2.887 N/A THR 79.A N ASP 344.A OD1 no hydrogen 2.636 N/A GLN 80.A N LYS 90.A O no hydrogen 2.678 N/A GLY 81.A N LYS 90.A O no hydrogen 3.079 N/A ILE 86.A N GLY 84.A O no hydrogen 2.592 N/A LYS 88.A N ASP 85.A O no hydrogen 3.380 N/A ASP 89.A N ASP 85.A O no hydrogen 2.902 N/A LYS 90.A N GLN 80.A OE1 no hydrogen 2.736 N/A LYS 90.A NZ SER 75.A OG no hydrogen 2.704 N/A LYS 90.A NZ TYR 76.A O no hydrogen 3.052 N/A LYS 90.A NZ GLY 77.A O no hydrogen 3.224 N/A LYS 90.A NZ PRO 93.A O no hydrogen 3.379 N/A VAL 91.A N ASP 95.A OD2 no hydrogen 3.106 N/A TRP 94.A NE1 TYR 153.A OH no hydrogen 3.155 N/A ASP 95.A N PHE 92.A O no hydrogen 2.899 N/A ARG 96.A NH2 GLU 87.A O no hydrogen 3.525 N/A CYS 97.A N SER 129.A OG no hydrogen 2.821 N/A CYS 97.A SG ASP 95.A O no hydrogen 3.934 N/A ASP 98.A N LYS 74.A O no hydrogen 3.215 N/A ILE 99.A N VAL 117.A O no hydrogen 2.824 N/A TRP 100.A N TYR 72.A O no hydrogen 2.935 N/A TYR 101.A N GLY 114.A O no hydrogen 3.071 N/A ALA 102.A N VAL 70.A O no hydrogen 3.016 N/A THR 103.A N LYS 111.A O no hydrogen 2.970 N/A SER 104.A N TYR 68.A O no hydrogen 3.025 N/A SER 104.A OG THR 109.A O no hydrogen 2.806 N/A LYS 105.A NZ ASP 66.A OD2 no hydrogen 2.861 N/A ASP 106.A N SER 104.A OG no hydrogen 3.017 N/A GLY 107.A N SER 104.A OG no hydrogen 2.714 N/A LEU 108.A N ASP 106.A OD1 no hydrogen 2.974 N/A THR 109.A N ASP 106.A OD1 no hydrogen 3.049 N/A TRP 110.A N LYS 44.A O no hydrogen 3.030 N/A TRP 110.A NE1 GLY 107.A O no hydrogen 3.122 N/A LYS 111.A N THR 103.A O no hydrogen 2.896 N/A GLU 112.A N ASP 46.A OD2 no hydrogen 2.785 N/A GLN 113.A N TYR 101.A O no hydrogen 2.794 N/A GLN 113.A NE2 THR 103.A OG1 no hydrogen 3.131 N/A GLN 113.A NE2 LYS 111.A O no hydrogen 3.420 N/A ALA 116.A N ILE 99.A O no hydrogen 2.682 N/A VAL 117.A N ILE 99.A O no hydrogen 3.107 N/A ARG 119.A N ASP 98.A OD1 no hydrogen 2.599 N/A ARG 119.A NE ASP 98.A OD1 no hydrogen 3.077 N/A ARG 119.A NH2 ASP 98.A OD2 no hydrogen 2.888 N/A GLY 120.A N ASP 126.A O no hydrogen 2.817 N/A GLY 123.A N ASP 127.A OD2 no hydrogen 3.106 N/A ALA 124.A N GLU 121.A O no hydrogen 2.923 N/A TYR 125.A OH THR 176.A O no hydrogen 3.051 N/A ARG 128.A N VAL 149.A O no hydrogen 3.010 N/A ARG 128.A NE ASP 95.A OD1 no hydrogen 2.753 N/A ARG 128.A NE ASP 95.A OD2 no hydrogen 3.274 N/A ARG 128.A NH1 ILE 86.A O no hydrogen 3.216 N/A ARG 128.A NH2 ILE 86.A O no hydrogen 3.285 N/A ARG 128.A NH2 ASP 95.A OD2 no hydrogen 2.649 N/A SER 129.A OG TRP 94.A O no hydrogen 2.692 N/A VAL 130.A N CYS 97.A O no hydrogen 2.984 N/A PHE 131.A N GLN 147.A O no hydrogen 2.943 N/A THR 132.A N SER 73.A OG no hydrogen 2.701 N/A GLU 134.A N CYS 145.A O no hydrogen 2.769 N/A VAL 135.A N GLU 134.A OE1 no hydrogen 3.087 N/A MET 136.A N TYR 143.A O no hydrogen 3.122 N/A TRP 138.A N LYS 141.A O no hydrogen 2.962 N/A GLY 140.A N GLU 137.A OE2 no hydrogen 2.488 N/A LYS 141.A N TRP 138.A O no hydrogen 3.226 N/A LYS 141.A NZ ASP 167.A OD1 no hydrogen 3.372 N/A TYR 142.A N ALA 166.A O no hydrogen 2.782 N/A TYR 143.A N MET 136.A O no hydrogen 2.993 N/A LEU 144.A N ALA 164.A O no hydrogen 2.921 N/A CYS 145.A N GLU 134.A O no hydrogen 3.073 N/A CYS 145.A SG PRO 213.A O no hydrogen 3.431 N/A TYR 146.A N GLY 162.A O no hydrogen 3.167 N/A TYR 146.A OH MET 163.A O no hydrogen 3.389 N/A GLN 147.A N PHE 131.A O no hydrogen 2.828 N/A ALA 148.A N THR 160.A O no hydrogen 2.765 N/A VAL 149.A N SER 129.A O no hydrogen 3.203 N/A SER 151.A N ASP 127.A OD1 no hydrogen 2.784 N/A VAL 155.A N ASP 194.A OD2 no hydrogen 3.078 N/A ARG 156.A N ASP 194.A OD1 no hydrogen 3.111 N/A ARG 156.A NE ASN 195.A O no hydrogen 2.871 N/A ARG 156.A NH1 GLY 191.A O no hydrogen 3.103 N/A ARG 156.A NH2 GLU 190.A O no hydrogen 3.027 N/A ARG 156.A NH2 ASN 195.A O no hydrogen 3.139 N/A VAL 157.A N THR 154.A O no hydrogen 2.735 N/A LYS 158.A NZ SER 184.A O no hydrogen 2.883 N/A LYS 158.A NZ SER 207.A O no hydrogen 2.835 N/A ASN 159.A ND2 THR 160.A O no hydrogen 2.906 N/A ASN 159.A ND2 VAL 210.A O no hydrogen 2.867 N/A THR 160.A N ALA 148.A O no hydrogen 2.767 N/A ILE 161.A N LEU 181.A O no hydrogen 2.863 N/A GLY 162.A N TYR 146.A O no hydrogen 2.881 N/A MET 163.A N THR 176.A OG1 no hydrogen 3.373 N/A ALA 164.A N LEU 144.A O no hydrogen 3.127 N/A CYS 165.A N THR 174.A O no hydrogen 3.116 N/A ALA 166.A N TYR 142.A O no hydrogen 2.941 N/A SER 168.A OG GLU 170.A OE1 no hydrogen 3.380 N/A GLU 170.A N SER 168.A OG no hydrogen 3.208 N/A GLY 171.A N SER 168.A O no hydrogen 2.658 N/A THR 174.A N CYS 165.A O no hydrogen 2.947 N/A LYS 175.A NZ LYS 118.A O no hydrogen 2.766 N/A LYS 175.A NZ ASP 126.A OD2 no hydrogen 2.983 N/A THR 176.A N MET 163.A O no hydrogen 2.784 N/A THR 176.A OG1 TYR 125.A OH no hydrogen 3.066 N/A THR 176.A OG1 MET 163.A O no hydrogen 3.424 N/A THR 176.A OG1 LYS 178.A O no hydrogen 2.786 N/A VAL 180.A N ILE 161.A O no hydrogen 2.809 N/A SER 184.A N ASP 206.A O no hydrogen 2.790 N/A SER 184.A OG ASP 204.A OD2 no hydrogen 2.810 N/A GLU 188.A N SER 201.A O no hydrogen 3.215 N/A GLU 190.A N LYS 198.A O no hydrogen 3.106 N/A ARG 196.A NH1 GLU 233.A OE1 no hydrogen 3.019 N/A ARG 196.A NH2 GLU 233.A OE2 no hydrogen 3.269 N/A PHE 197.A N ASN 195.A OD1 no hydrogen 2.698 N/A LYS 198.A N ASN 195.A OD1 no hydrogen 2.702 N/A VAL 200.A N GLU 188.A O no hydrogen 2.765 N/A SER 201.A N GLU 188.A O no hydrogen 3.192 N/A LYS 202.A NZ GLY 232.A O no hydrogen 3.060 N/A LYS 202.A NZ GLU 234.A OE1 no hydrogen 2.184 N/A ASP 204.A N THR 186.A OG1 no hydrogen 2.851 N/A SER 207.A OG LYS 202.A O no hydrogen 2.938 N/A HIS 208.A N GLU 229.A O no hydrogen 2.740 N/A HIS 208.A NE2 VAL 155.A O no hydrogen 3.187 N/A LYS 209.A N GLU 229.A O no hydrogen 3.064 N/A LYS 209.A NZ VAL 157.A O no hydrogen 2.857 N/A VAL 210.A N ASN 159.A OD1 no hydrogen 2.859 N/A HIS 211.A N LYS 227.A O no hydrogen 2.721 N/A ASP 212.A N GLN 147.A OE1 no hydrogen 2.677 N/A CYS 214.A N TYR 225.A O no hydrogen 2.974 N/A ILE 216.A N TYR 223.A O no hydrogen 2.898 N/A TYR 218.A N LYS 221.A O no hydrogen 3.192 N/A TYR 218.A OH GLY 278.A O no hydrogen 2.629 N/A LYS 221.A N TYR 218.A O no hydrogen 3.130 N/A PHE 222.A N ALA 249.A O no hydrogen 2.963 N/A TYR 223.A N ILE 216.A O no hydrogen 3.084 N/A MET 224.A N ALA 247.A O no hydrogen 2.741 N/A TYR 225.A N CYS 214.A O no hydrogen 2.793 N/A TYR 225.A OH GLY 300.A O no hydrogen 2.854 N/A TYR 226.A N GLY 245.A O no hydrogen 3.011 N/A TYR 226.A OH ASP 206.A OD2 no hydrogen 2.784 N/A LYS 227.A N HIS 211.A O no hydrogen 2.874 N/A LYS 227.A NZ GLU 269.A OE2 no hydrogen 3.300 N/A GLY 228.A N LYS 243.A O no hydrogen 2.782 N/A GLU 229.A N LYS 209.A O no hydrogen 3.070 N/A ARG 230.A NE GLY 203.A O no hydrogen 2.999 N/A ARG 230.A NH1 GLU 241.A OE1 no hydrogen 2.705 N/A ARG 230.A NH2 GLY 203.A O no hydrogen 3.363 N/A MET 231.A N SER 207.A OG no hydrogen 2.555 N/A GLU 233.A N ARG 230.A O no hydrogen 3.029 N/A GLU 234.A N GLU 241.A OE2 no hydrogen 2.750 N/A THR 236.A N GLY 239.A O no hydrogen 2.722 N/A THR 236.A OG1 GLY 239.A O no hydrogen 3.356 N/A GLY 238.A N THR 236.A OG1 no hydrogen 2.924 N/A GLY 239.A N THR 236.A O no hydrogen 3.023 N/A ARG 240.A NE GLU 233.A OE1 no hydrogen 3.302 N/A ARG 240.A NE GLU 233.A OE2 no hydrogen 2.666 N/A ARG 240.A NH2 GLU 229.A OE1 no hydrogen 3.450 N/A ARG 240.A NH2 GLU 233.A OE1 no hydrogen 2.805 N/A ARG 240.A NH2 GLU 233.A OE2 no hydrogen 3.451 N/A GLU 241.A N GLU 234.A O no hydrogen 3.202 N/A HIS 244.A N SER 265.A OG no hydrogen 2.774 N/A HIS 244.A NE2 GLU 269.A O no hydrogen 3.047 N/A GLY 245.A N TYR 226.A O no hydrogen 2.732 N/A VAL 246.A N ASN 262.A OD1 no hydrogen 2.946 N/A ALA 247.A N MET 224.A O no hydrogen 3.042 N/A ILE 248.A N VAL 257.A O no hydrogen 3.019 N/A ALA 249.A N PHE 222.A O no hydrogen 3.049 N/A GLY 254.A N ASN 251.A O no hydrogen 2.509 N/A TYR 256.A OH PRO 252.A O no hydrogen 2.836 N/A VAL 257.A N ILE 248.A O no hydrogen 2.812 N/A LYS 258.A NZ GLU 182.A O no hydrogen 2.848 N/A LYS 258.A NZ ASP 206.A OD2 no hydrogen 2.786 N/A SER 259.A N VAL 246.A O no hydrogen 2.866 N/A TYR 261.A N SER 259.A OG no hydrogen 3.132 N/A ASN 262.A N SER 259.A O no hydrogen 3.373 N/A ASN 262.A ND2 VAL 246.A O no hydrogen 3.239 N/A ILE 264.A N HIS 244.A O no hydrogen 2.837 N/A SER 265.A OG SER 267.A O no hydrogen 2.674 N/A ASN 266.A ND2 GLU 290.A OE2 no hydrogen 3.023 N/A SER 267.A OG ASN 266.A OD1 no hydrogen 2.725 N/A GLY 268.A N ASP 287.A O no hydrogen 2.778 N/A GLU 270.A N GLU 270.A OE1 no hydrogen 2.844 N/A TRP 274.A N ALA 281.A O no hydrogen 3.030 N/A TYR 276.A N GLY 279.A O no hydrogen 2.943 N/A LYS 277.A N GLU 325.A OE1 no hydrogen 2.921 N/A GLY 279.A N TYR 276.A O no hydrogen 2.809 N/A ILE 280.A N SER 297.A O no hydrogen 2.877 N/A ALA 281.A N TRP 274.A O no hydrogen 2.640 N/A SER 282.A N GLN 295.A O no hydrogen 2.881 N/A LEU 283.A N CYS 272.A O no hydrogen 3.004 N/A ILE 284.A N THR 293.A O no hydrogen 2.868 N/A THR 285.A OG1 THR 286.A OG1 no hydrogen 2.896 N/A THR 286.A OG1 THR 285.A OG1 no hydrogen 2.896 N/A ASP 287.A N THR 285.A O no hydrogen 2.764 N/A GLY 288.A N GLY 238.A O no hydrogen 2.768 N/A GLU 290.A N SER 267.A OG no hydrogen 2.828 N/A LYS 291.A N GLY 288.A O no hydrogen 3.232 N/A LYS 291.A NZ GLY 288.A O no hydrogen 2.832 N/A ASN 292.A N ILE 284.A O no hydrogen 2.654 N/A THR 293.A N ILE 284.A O no hydrogen 3.256 N/A THR 293.A OG1 GLU 290.A O no hydrogen 2.770 N/A LEU 294.A N SER 307.A O no hydrogen 3.336 N/A GLN 295.A N SER 282.A O no hydrogen 2.787 N/A GLN 295.A NE2 GLU 290.A OE1 no hydrogen 3.099 N/A GLN 295.A NE2 THR 293.A OG1 no hydrogen 2.865 N/A TRP 296.A N GLU 304.A O no hydrogen 3.050 N/A TRP 296.A NE1 TYR 276.A O no hydrogen 2.986 N/A SER 297.A N ILE 280.A O no hydrogen 2.973 N/A SER 297.A OG ILE 280.A O no hydrogen 3.411 N/A ILE 301.A N ASP 299.A OD1 no hydrogen 2.812 N/A ASN 302.A N ASP 299.A OD1 no hydrogen 2.902 N/A ASN 302.A ND2 ASP 299.A OD2 no hydrogen 2.812 N/A GLU 304.A N TRP 296.A O no hydrogen 2.903 N/A MET 306.A N LEU 294.A O no hydrogen 2.805 N/A SER 307.A N LEU 294.A O no hydrogen 3.275 N/A SER 307.A OG TRP 34.A O no hydrogen 2.757 N/A VAL 309.A N ASN 292.A O no hydrogen 2.866 N/A LYS 310.A NZ GLU 37.A OE2 no hydrogen 3.108 N/A GLY 317.A N LEU 336.A O no hydrogen 2.797 N/A ARG 320.A N MET 61.A O no hydrogen 3.329 N/A ARG 320.A NH1 VAL 273.A O no hydrogen 3.046 N/A ARG 320.A NH2 VAL 273.A O no hydrogen 3.222 N/A SER 321.A OG ASN 319.A OD1 no hydrogen 2.783 N/A ALA 322.A N ASN 319.A O no hydrogen 2.989 N/A GLU 325.A N ASP 323.A OD1 no hydrogen 3.328 N/A LYS 326.A N ASP 323.A O no hydrogen 3.297 N/A GLU 330.A N GLU 327.A O no hydrogen 2.964 N/A LEU 332.A N THR 329.A O no hydrogen 2.928 N/A ARG 333.A N GLU 330.A O no hydrogen 3.115 N/A ARG 333.A NE THR 353.A O no hydrogen 2.834 N/A ARG 333.A NH1 THR 329.A OG1 no hydrogen 3.172 N/A ARG 333.A NH2 THR 329.A OG1 no hydrogen 2.980 N/A ARG 333.A NH2 THR 353.A OG1 no hydrogen 2.781 N/A GLY 335.A N PHE 351.A O no hydrogen 3.101 N/A LEU 336.A N GLY 317.A O no hydrogen 2.944 N/A THR 337.A N MET 349.A O no hydrogen 2.855 N/A THR 337.A OG1 HIS 314.A O no hydrogen 2.570 N/A ILE 339.A N SER 347.A O no hydrogen 2.867 N/A ASN 341.A N TYR 345.A O no hydrogen 2.902 N/A SER 342.A N TYR 345.A O no hydrogen 3.075 N/A ASP 344.A N SER 342.A OG no hydrogen 3.274 N/A TYR 345.A N SER 342.A OG no hydrogen 3.168 N/A GLN 346.A NE2 SER 342.A O no hydrogen 3.191 N/A GLN 346.A NE2 SER 343.A O no hydrogen 3.213 N/A SER 347.A N ILE 339.A O no hydrogen 3.111 N/A SER 347.A OG ASN 341.A OD1 no hydrogen 2.766 N/A MET 349.A N THR 337.A O no hydrogen 2.861 N/A ARG 350.A N GLU 41.A O no hydrogen 2.976 N/A PHE 351.A N GLY 335.A O no hydrogen 2.874 N/A SER 352.A N LYS 39.A O no hydrogen 2.970 N/A THR 353.A N ARG 333.A O no hydrogen 3.138 N/A THR 353.A OG1 LEU 332.A O no hydrogen 2.613 N/A TRP 354.A N GLU 37.A O no hydrogen 3.004 N/A GLN 357.A NE2 ASN 32.A OD1 no hydrogen 3.503 N/A ALA 361.A N GLU 364.A OE1 no hydrogen 2.710 N/A GLU 364.A N ALA 361.A O no hydrogen 3.256 N/A GLU 367.A N SER 365.A OG no hydrogen 3.251 N/A ARG 368.A NH1 GLN 357.A O no hydrogen 2.937 N/A