Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xwz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ASP 1.A O no hydrogen 3.203 N/A LEU 5.A N ALA 2.A O no hydrogen 3.125 N/A HIS 7.A ND1 GLU 33.A OE2 no hydrogen 2.961 N/A THR 8.A N VAL 31.A O no hydrogen 3.160 N/A VAL 10.A N GLU 33.A O no hydrogen 3.051 N/A GLN 17.A N ALA 14.A O no hydrogen 3.273 N/A HIS 21.A ND1 HIS 19.A O no hydrogen 2.763 N/A HIS 21.A NE2 TYR 165.A OH no hydrogen 2.664 N/A GLN 23.A NE2 TYR 165.A O no hydrogen 2.713 N/A THR 25.A N ARG 152.A O no hydrogen 2.929 N/A THR 25.A OG1 GLU 22.A OE1 no hydrogen 2.664 N/A THR 25.A OG1 SER 27.A OG no hydrogen 3.116 N/A SER 27.A N THR 25.A OG1 no hydrogen 3.249 N/A SER 27.A OG THR 25.A OG1 no hydrogen 3.116 N/A LYS 30.A N ASP 72.A OD1 no hydrogen 3.046 N/A VAL 31.A N PRO 6.A O no hydrogen 2.993 N/A VAL 32.A N TYR 73.A O no hydrogen 2.823 N/A GLU 33.A N THR 8.A O no hydrogen 2.713 N/A PHE 34.A N GLN 75.A O no hydrogen 2.899 N/A MET 36.A N THR 77.A O no hydrogen 2.973 N/A THR 37.A N ASN 58.A OD1 no hydrogen 2.870 N/A ILE 38.A N VAL 79.A O no hydrogen 2.963 N/A GLU 39.A N THR 56.A O no hydrogen 3.058 N/A GLU 40.A N ASN 84.A OD1 no hydrogen 3.295 N/A LYS 41.A N ALA 54.A O no hydrogen 3.014 N/A LYS 41.A NZ GLU 39.A OE1.A no hydrogen 3.242 N/A LYS 41.A NZ GLY 59.A O no hydrogen 2.894 N/A LYS 42.A NZ ASP 188.A OD1 no hydrogen 2.761 N/A LYS 42.A NZ TYR 189.A O no hydrogen 3.099 N/A MET 43.A N LEU 52.A O no hydrogen 2.852 N/A ILE 45.A N THR 50.A O no hydrogen 2.940 N/A LYS 48.A N ASP 46.A OD1 no hydrogen 3.073 N/A THR 50.A N ASP 46.A OD1 no hydrogen 2.944 N/A THR 50.A OG1 ASP 46.A OD1 no hydrogen 3.182 N/A THR 50.A OG1 ASP 46.A OD2 no hydrogen 2.646 N/A LEU 52.A N MET 43.A O no hydrogen 2.777 N/A GLN 53.A NE2 TYR 189.A O no hydrogen 3.208 N/A ALA 54.A N LYS 41.A O no hydrogen 2.933 N/A MET 55.A N SER 141.A O no hydrogen 3.015 N/A THR 56.A N GLU 39.A O no hydrogen 2.944 N/A THR 56.A OG1 GLU 39.A O no hydrogen 2.648 N/A ASN 58.A N THR 37.A O no hydrogen 2.797 N/A GLY 59.A N THR 56.A OG1 no hydrogen 3.052 N/A SER 60.A N PHE 57.A O no hydrogen 3.498 N/A SER 60.A OG PRO 62.A O no hydrogen 2.613 N/A GLY 63.A N SER 144.A O no hydrogen 2.816 N/A THR 65.A OG1 THR 170.A OG1 no hydrogen 2.796 N/A LEU 66.A N THR 146.A O no hydrogen 2.982 N/A VAL 68.A N MET 148.A O no hydrogen 2.997 N/A HIS 69.A N ASP 72.A OD2 no hydrogen 2.937 N/A HIS 69.A NE2 GLU 22.A O no hydrogen 2.798 N/A HIS 69.A NE2 GLN 23.A O no hydrogen 2.635 N/A GLU 70.A N LEU 150.A O no hydrogen 2.867 N/A GLY 71.A N ALA 119.A O no hydrogen 2.976 N/A ASP 72.A N HIS 69.A O no hydrogen 2.871 N/A TYR 73.A N LYS 30.A O no hydrogen 2.767 N/A VAL 74.A N PHE 117.A O no hydrogen 2.850 N/A GLN 75.A N VAL 32.A O no hydrogen 2.952 N/A LEU 76.A N LEU 115.A O no hydrogen 2.827 N/A THR 77.A N PHE 34.A O no hydrogen 2.921 N/A THR 77.A OG1 THR 114.A OG1 no hydrogen 2.875 N/A LEU 78.A N ALA 113.A O no hydrogen 2.834 N/A VAL 79.A N MET 36.A O no hydrogen 2.938 N/A ASN 80.A N GLU 111.A O no hydrogen 2.894 N/A ASN 80.A ND2 MET 86.A O no hydrogen 3.023 N/A ASN 80.A ND2 VAL 107.A O no hydrogen 2.685 N/A ASN 84.A N PRO 81.A O no hydrogen 3.173 N/A ASN 84.A ND2 ILE 38.A O no hydrogen 2.948 N/A ASN 84.A ND2 ASN 80.A OD1 no hydrogen 2.814 N/A ALA 85.A N GLU 40.A OE1 no hydrogen 2.804 N/A MET 86.A N GLU 40.A OE2 no hydrogen 2.941 N/A HIS 88.A N VAL 107.A O no hydrogen 3.046 N/A HIS 88.A NE2 GLU 40.A OE2 no hydrogen 2.776 N/A ASN 89.A ND2 ASN 106.A OD1 no hydrogen 3.046 N/A ASN 89.A ND2 ALA 130.A O no hydrogen 2.961 N/A VAL 90.A N THR 105.A OG1 no hydrogen 3.071 N/A ASP 91.A N HIS 128.A O no hydrogen 2.956 N/A PHE 92.A N GLY 100.A O no hydrogen 2.782 N/A HIS 93.A N VAL 126.A O no hydrogen 2.926 N/A ALA 95.A N PHE 92.A O no hydrogen 3.088 N/A GLY 100.A N GLY 97.A O no hydrogen 2.845 N/A GLY 101.A N ALA 98.A O no hydrogen 2.801 N/A ALA 102.A N LEU 99.A O no hydrogen 3.259 N/A LYS 103.A N ALA 98.A O no hydrogen 3.353 N/A LEU 104.A N GLY 101.A O no hydrogen 3.009 N/A THR 105.A N ALA 102.A O no hydrogen 3.429 N/A THR 105.A OG1 VAL 90.A O no hydrogen 3.497 N/A THR 105.A OG1 GLY 101.A O no hydrogen 2.789 N/A THR 105.A OG1 ALA 102.A O no hydrogen 3.490 N/A VAL 107.A N HIS 88.A O no hydrogen 2.969 N/A ASN 108.A N GLU 111.A OE1 no hydrogen 2.879 N/A ASN 108.A ND2 GLU 111.A OE1 no hydrogen 3.186 N/A GLY 110.A N ASN 80.A O no hydrogen 2.729 N/A GLU 111.A N ASN 108.A O no hydrogen 2.996 N/A ALA 113.A N LEU 78.A O no hydrogen 2.995 N/A THR 114.A OG1 THR 77.A OG1 no hydrogen 2.875 N/A LEU 115.A N LEU 76.A O no hydrogen 2.817 N/A ARG 116.A NH1 ASP 3.A OD1 no hydrogen 3.216 N/A PHE 117.A N VAL 74.A O no hydrogen 2.946 N/A ALA 119.A N ASP 72.A O no hydrogen 3.002 N/A GLY 123.A N VAL 149.A O no hydrogen 2.783 N/A THR 124.A N GLY 261.A O no hydrogen 2.782 N/A THR 124.A OG1 GLY 261.A O no hydrogen 3.331 N/A THR 124.A OG1 ALA 281.A O no hydrogen 2.846 N/A PHE 125.A N LEU 147.A O no hydrogen 2.708 N/A TYR 127.A N GLY 145.A O no hydrogen 2.779 N/A TYR 127.A OH PRO 64.A O no hydrogen 2.630 N/A HIS 128.A N ASP 91.A O no hydrogen 3.034 N/A HIS 128.A ND1 CYS 129.A O no hydrogen 2.711 N/A CYS 129.A N MET 143.A O no hydrogen 3.040 N/A CYS 129.A SG HIS 88.A ND1 no hydrogen 3.893 N/A CYS 129.A SG ASN 89.A O no hydrogen 3.546 N/A CYS 129.A SG ASN 89.A OD1 no hydrogen 3.866 N/A CYS 129.A SG HIS 138.A ND1 no hydrogen 3.777 N/A ALA 130.A N ASN 89.A OD1 no hydrogen 2.785 N/A MET 134.A N PRO 131.A O no hydrogen 3.027 N/A HIS 138.A N MET 134.A O no hydrogen 3.134 N/A VAL 139.A N VAL 135.A O no hydrogen 2.978 N/A VAL 140.A N PRO 136.A O no hydrogen 2.797 N/A SER 141.A N TRP 137.A O no hydrogen 2.985 N/A SER 141.A OG TRP 137.A O no hydrogen 2.652 N/A GLY 142.A N VAL 139.A O no hydrogen 3.009 N/A MET 143.A N HIS 138.A O no hydrogen 3.224 N/A SER 144.A N GLY 142.A O no hydrogen 2.979 N/A GLY 145.A N TYR 127.A O no hydrogen 2.861 N/A LEU 147.A N PHE 125.A O no hydrogen 2.824 N/A MET 148.A N LEU 66.A O no hydrogen 2.753 N/A VAL 149.A N GLY 123.A O no hydrogen 2.688 N/A LEU 150.A N VAL 68.A O no hydrogen 2.843 N/A ARG 152.A NE GLU 70.A O no hydrogen 3.082 N/A ARG 152.A NH1 SER 27.A O no hydrogen 3.146 N/A ARG 152.A NH2 GLU 70.A O no hydrogen 2.977 N/A ARG 152.A NH2 ASP 72.A OD1 no hydrogen 2.576 N/A GLY 154.A N PRO 151.A O no hydrogen 2.911 N/A LYS 156.A NZ ASP 153.A O no hydrogen 3.220 N/A LYS 156.A NZ ASP 153.A OD2 no hydrogen 2.827 N/A ASP 157.A N LYS 161.A O no hydrogen 2.778 N/A GLN 159.A N ASP 157.A OD1 no hydrogen 2.667 N/A GLY 160.A N ASP 157.A O no hydrogen 3.044 N/A LYS 161.A N ASP 157.A OD1 no hydrogen 2.995 N/A LEU 163.A N LEU 155.A O no hydrogen 2.881 N/A TYR 165.A N GLN 23.A OE1 no hydrogen 3.088 N/A TYR 165.A OH HIS 21.A NE2 no hydrogen 2.664 N/A ASP 166.A N THR 233.A O no hydrogen 2.840 N/A ARG 167.A NH1 TYR 169.A OH no hydrogen 3.221 N/A TYR 169.A N LEU 235.A O no hydrogen 2.852 N/A TYR 169.A OH THR 227.A O no hydrogen 2.689 N/A THR 170.A N PRO 16.A O no hydrogen 2.832 N/A THR 170.A OG1 THR 65.A OG1 no hydrogen 2.796 N/A ILE 171.A N ILE 237.A O no hydrogen 2.778 N/A GLY 172.A N ASN 214.A OD1 no hydrogen 2.814 N/A GLU 173.A N SER 239.A O no hydrogen 2.986 N/A PHE 174.A N VAL 212.A O no hydrogen 2.776 N/A ASP 175.A N ASP 175.A OD1 no hydrogen 2.595 N/A LEU 176.A N HIS 210.A O no hydrogen 2.830 N/A TYR 177.A OH ASP 175.A OD2 no hydrogen 2.634 N/A ILE 178.A N SER 209.A OG no hydrogen 3.009 N/A GLY 181.A N LYS 185.A O no hydrogen 2.937 N/A GLY 184.A N GLY 181.A O no hydrogen 2.722 N/A LYS 185.A N ASP 183.A OD1 no hydrogen 3.139 N/A LYS 187.A N PRO 179.A O no hydrogen 2.923 N/A LYS 187.A NZ ASP 198.A OD2 no hydrogen 3.136 N/A TYR 189.A OH ASP 198.A OD2 no hydrogen 2.477 N/A THR 191.A N GLU 194.A OE1 no hydrogen 2.924 N/A GLU 194.A N THR 191.A OG1 no hydrogen 3.104 N/A SER 195.A N LEU 192.A O no hydrogen 2.898 N/A SER 195.A OG LEU 192.A O no hydrogen 2.627 N/A TYR 196.A N ALA 193.A O no hydrogen 3.191 N/A THR 199.A N SER 195.A O no hydrogen 3.044 N/A THR 199.A OG1 SER 195.A O no hydrogen 2.636 N/A VAL 200.A N TYR 196.A O no hydrogen 2.952 N/A GLN 201.A N GLY 197.A O no hydrogen 3.178 N/A VAL 202.A N ASP 198.A O no hydrogen 3.197 N/A MET 203.A N THR 199.A O no hydrogen 2.881 N/A ARG 204.A N VAL 200.A O no hydrogen 3.164 N/A THR 205.A N VAL 202.A O no hydrogen 3.028 N/A THR 205.A OG1 VAL 202.A O no hydrogen 2.646 N/A LEU 206.A N MET 203.A O no hydrogen 2.888 N/A THR 207.A N THR 205.A OG1 no hydrogen 3.170 N/A THR 207.A OG1 THR 205.A O no hydrogen 3.453 N/A SER 209.A N LEU 176.A O no hydrogen 2.790 N/A SER 209.A OG LEU 176.A O no hydrogen 3.338 N/A SER 209.A OG HIS 210.A ND1 no hydrogen 2.587 N/A HIS 210.A ND1 SER 209.A OG no hydrogen 2.587 N/A HIS 210.A NE2 ASP 46.A OD2 no hydrogen 3.104 N/A ILE 211.A N LEU 307.A O no hydrogen 2.923 N/A VAL 212.A N PHE 174.A O no hydrogen 2.972 N/A ASN 214.A N GLY 172.A O no hydrogen 2.848 N/A ASN 214.A ND2 THR 170.A O no hydrogen 3.395 N/A VAL 217.A N ILE 45.A O no hydrogen 2.921 N/A ALA 219.A N LYS 216.A O no hydrogen 3.131 N/A THR 221.A N GLY 218.A O no hydrogen 3.256 N/A THR 221.A OG1 GLY 218.A O no hydrogen 2.915 N/A ASN 224.A N THR 221.A O no hydrogen 3.110 N/A ALA 225.A N GLY 222.A O no hydrogen 3.204 N/A LEU 226.A N HIS 312.A O no hydrogen 2.864 N/A THR 227.A N TYR 169.A OH no hydrogen 3.236 N/A THR 227.A OG1 TYR 169.A OH no hydrogen 3.347 N/A ALA 228.A N LYS 314.A O no hydrogen 3.090 N/A LYS 229.A N GLU 232.A OE1 no hydrogen 3.033 N/A VAL 230.A N GLU 316.A O no hydrogen 2.819 N/A GLY 231.A N PHE 288.A O no hydrogen 2.803 N/A GLU 232.A N LYS 229.A O no hydrogen 2.960 N/A THR 233.A N ASP 166.A OD2 no hydrogen 2.907 N/A THR 233.A OG1 THR 287.A OG1 no hydrogen 2.568 N/A VAL 234.A N TYR 286.A O no hydrogen 2.966 N/A LEU 235.A N ARG 167.A O no hydrogen 2.781 N/A LEU 236.A N ALA 284.A O no hydrogen 2.697 N/A ILE 237.A N TYR 169.A O no hydrogen 2.878 N/A HIS 238.A N GLY 282.A O no hydrogen 2.934 N/A HIS 238.A ND1 TYR 296.A OH no hydrogen 2.660 N/A HIS 238.A NE2 GLU 173.A OE1 no hydrogen 2.761 N/A SER 239.A N ILE 171.A O no hydrogen 3.011 N/A GLN 240.A N SER 280.A O no hydrogen 3.119 N/A GLN 240.A NE2 ASP 175.A OD1 no hydrogen 2.889 N/A ASN 242.A N GLN 240.A OE1 no hydrogen 2.815 N/A ASN 242.A ND2 ASP 175.A OD2 no hydrogen 2.763 N/A ARG 243.A N GLN 240.A OE1 no hydrogen 2.981 N/A ARG 243.A NH1 GLU 303.A OE1 no hydrogen 3.338 N/A ARG 243.A NH1 GLU 303.A OE2 no hydrogen 3.083 N/A ARG 243.A NH2 GLU 303.A OE2 no hydrogen 2.904 N/A THR 245.A N ILE 276.A O no hydrogen 2.969 N/A THR 245.A OG1 GLU 173.A OE1 no hydrogen 2.608 N/A THR 245.A OG1 GLU 173.A OE2 no hydrogen 3.150 N/A ARG 246.A NH1 ASN 298.A OD1 no hydrogen 2.911 N/A ARG 246.A NH1 GLU 303.A OE1 no hydrogen 3.398 N/A HIS 248.A ND1 THR 273.A OG1 no hydrogen 3.010 N/A ILE 250.A N ALA 295.A O no hydrogen 2.866 N/A GLY 252.A N LEU 249.A O no hydrogen 3.016 N/A GLY 254.A N LEU 271.A O no hydrogen 2.869 N/A ASP 255.A N LEU 285.A O no hydrogen 2.837 N/A TRP 256.A N LEU 285.A O no hydrogen 3.408 N/A VAL 257.A N GLN 268.A O no hydrogen 2.797 N/A TRP 258.A N ALA 283.A O no hydrogen 2.942 N/A TRP 258.A NE1 ASN 265.A O no hydrogen 2.937 N/A GLY 261.A N TRP 258.A O no hydrogen 2.802 N/A LYS 262.A NZ THR 124.A O no hydrogen 2.632 N/A LYS 262.A NZ THR 260.A O no hydrogen 2.740 N/A ASN 265.A N LYS 262.A O no hydrogen 3.000 N/A ASN 265.A ND2 LYS 262.A O no hydrogen 3.116 N/A GLN 268.A N VAL 257.A O no hydrogen 2.909 N/A ARG 269.A NE ASP 270.A OD2 no hydrogen 2.938 N/A ARG 269.A NH2 ASP 270.A OD1 no hydrogen 3.041 N/A ARG 269.A NH2 ASP 270.A OD2 no hydrogen 3.539 N/A ASP 270.A N ASP 255.A O no hydrogen 3.408 N/A LEU 271.A N GLY 254.A O no hydrogen 3.032 N/A THR 273.A OG1 HIS 248.A ND1 no hydrogen 3.010 N/A TRP 274.A N PRO 247.A O no hydrogen 3.022 N/A ILE 276.A N THR 245.A O no hydrogen 2.922 N/A ARG 277.A NH1 PHE 275.A O no hydrogen 2.737 N/A ARG 277.A NH2 GLU 259.A OE2 no hydrogen 2.913 N/A GLY 278.A N ASP 244.A OD1 no hydrogen 2.807 N/A GLY 279.A N GLN 240.A O no hydrogen 2.674 N/A SER 280.A N GLN 240.A O no hydrogen 3.191 N/A SER 280.A OG ARG 277.A O no hydrogen 2.681 N/A GLY 282.A N HIS 238.A O no hydrogen 2.919 N/A ALA 283.A N TRP 258.A O no hydrogen 3.247 N/A ALA 284.A N LEU 236.A O no hydrogen 3.031 N/A LEU 285.A N TRP 256.A O no hydrogen 2.882 N/A TYR 286.A N VAL 234.A O no hydrogen 3.064 N/A THR 287.A N ASP 255.A OD2 no hydrogen 2.819 N/A THR 287.A OG1 THR 233.A OG1 no hydrogen 2.568 N/A PHE 288.A N GLU 232.A O no hydrogen 2.969 N/A GLN 290.A NE2 ASN 320.A O no hydrogen 3.124 N/A GLY 292.A N VAL 315.A O no hydrogen 2.813 N/A TYR 294.A N ILE 313.A O no hydrogen 2.813 N/A TYR 294.A OH GLN 290.A O no hydrogen 2.770 N/A TYR 296.A N GLY 311.A O no hydrogen 2.805 N/A TYR 296.A OH HIS 238.A ND1 no hydrogen 2.660 N/A LEU 297.A N HIS 248.A O no hydrogen 2.915 N/A ASN 298.A N ALA 309.A O no hydrogen 3.102 N/A ASN 298.A ND2 GLU 173.A OE2 no hydrogen 3.000 N/A ASN 298.A ND2 GLU 303.A OE1 no hydrogen 2.722 N/A HIS 299.A N ARG 246.A O no hydrogen 2.844 N/A HIS 299.A ND1 HIS 299.A O no hydrogen 2.635 N/A ASN 300.A N ASN 298.A OD1 no hydrogen 2.872 N/A ILE 302.A N ASN 300.A OD1 no hydrogen 2.944 N/A GLU 303.A N ASN 300.A OD1 no hydrogen 3.055 N/A ALA 304.A N ASN 300.A O no hydrogen 2.989 N/A PHE 305.A N LEU 301.A O no hydrogen 2.910 N/A GLU 306.A N ILE 302.A O no hydrogen 2.783 N/A LEU 307.A N ILE 302.A O no hydrogen 3.024 N/A GLY 308.A N ALA 304.A O no hydrogen 3.232 N/A ALA 309.A N GLU 303.A O no hydrogen 3.027 N/A ALA 310.A N GLY 308.A O no hydrogen 2.866 N/A GLY 311.A N TYR 296.A O no hydrogen 2.821 N/A HIS 312.A N LEU 220.A O no hydrogen 2.782 N/A ILE 313.A N TYR 294.A O no hydrogen 2.890 N/A LYS 314.A N LEU 226.A O no hydrogen 2.762 N/A VAL 315.A N GLY 292.A O no hydrogen 2.832 N/A GLU 316.A N ALA 228.A O no hydrogen 3.042 N/A TRP 319.A NE1 MET 324.A O no hydrogen 2.897 N/A ASN 320.A N GLN 290.A OE1 no hydrogen 2.839 N/A ASP 322.A N ASN 320.A OD1 no hydrogen 2.816 N/A LEU 323.A N ASN 320.A OD1 no hydrogen 3.196 N/A MET 324.A N ASN 320.A O no hydrogen 3.267 N/A ARG 335.A NE ILE 333.A O no hydrogen 2.825 N/A ARG 335.A NH2 ILE 333.A O no hydrogen 3.025 N/A