Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3x0a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ ASN 20.A OD1 no hydrogen 2.829 N/A LYS 3.A NZ THR 91.A OG1 no hydrogen 3.170 N/A SER 13.A N GLU 9.A O no hydrogen 3.402 N/A SER 13.A OG PHE 5.A O no hydrogen 2.645 N/A VAL 14.A N PRO 10.A O no hydrogen 3.104 N/A VAL 14.A N ILE 11.A O no hydrogen 3.106 N/A LEU 15.A N ILE 11.A O no hydrogen 2.895 N/A MET 16.A N LEU 12.A O no hydrogen 2.877 N/A TRP 17.A N SER 13.A O no hydrogen 2.884 N/A GLY 18.A N VAL 14.A O no hydrogen 2.670 N/A VAL 19.A N LEU 15.A O no hydrogen 2.895 N/A ASN 20.A N MET 16.A O no hydrogen 2.931 N/A HIS 21.A N TRP 17.A O no hydrogen 2.766 N/A THR 22.A N GLY 18.A O no hydrogen 2.817 N/A THR 22.A OG1 GLY 18.A O no hydrogen 2.816 N/A THR 22.A OG1 VAL 19.A O no hydrogen 3.309 N/A ILE 23.A N VAL 19.A O no hydrogen 3.058 N/A ASN 24.A N ASN 20.A O no hydrogen 3.208 N/A GLU 25.A N HIS 21.A O no hydrogen 3.164 N/A LEU 26.A N THR 22.A O no hydrogen 2.839 N/A SER 27.A N ILE 23.A O no hydrogen 3.042 N/A SER 27.A N ASN 24.A O no hydrogen 3.120 N/A SER 27.A OG ASN 24.A O no hydrogen 2.531 N/A ASN 28.A N GLU 25.A O no hydrogen 2.668 N/A VAL 29.A N LEU 26.A O no hydrogen 2.823 N/A MET 36.A N ASP 39.A OD2 no hydrogen 2.836 N/A ASP 39.A N MET 36.A O no hydrogen 2.633 N/A PHE 40.A N PRO 37.A O no hydrogen 2.991 N/A LYS 41.A N ASP 38.A O no hydrogen 2.569 N/A SER 44.A N GLU 66.A O no hydrogen 2.836 N/A ILE 46.A N PHE 64.A O no hydrogen 3.069 N/A VAL 48.A N PHE 62.A O no hydrogen 2.863 N/A ASN 50.A N SER 60.A O no hydrogen 2.583 N/A PHE 62.A N VAL 48.A O no hydrogen 3.078 N/A LYS 63.A N THR 150.A O no hydrogen 2.925 N/A PHE 64.A N ILE 46.A O no hydrogen 2.965 N/A LYS 65.A N ARG 148.A O no hydrogen 2.846 N/A GLU 66.A N SER 44.A O no hydrogen 2.882 N/A TYR 67.A N MET 146.A O no hydrogen 3.226 N/A CYS 68.A N ALA 42.A O no hydrogen 2.779 N/A CYS 68.A SG PHE 40.A O no hydrogen 3.154 N/A CYS 68.A SG ALA 42.A O no hydrogen 3.828 N/A CYS 68.A SG HIS 121.A NE2 no hydrogen 3.702 N/A VAL 71.A N CYS 68.A O no hydrogen 3.078 N/A PHE 72.A N CYS 68.A O no hydrogen 3.281 N/A ARG 73.A N PRO 69.A O no hydrogen 3.172 N/A ARG 73.A NH1 VAL 29.A O no hydrogen 2.948 N/A ARG 73.A NH2 VAL 29.A O no hydrogen 3.028 N/A ARG 73.A NH2 PRO 30.A O no hydrogen 2.652 N/A ASN 74.A N MET 70.A O no hydrogen 3.316 N/A LEU 75.A N VAL 71.A O no hydrogen 2.835 N/A ARG 76.A N PHE 72.A O no hydrogen 2.955 N/A ARG 76.A NE LEU 144.A O no hydrogen 2.977 N/A ARG 76.A NH1 ASP 83.A OD1 no hydrogen 2.821 N/A GLU 77.A N ARG 73.A O no hydrogen 3.018 N/A ARG 78.A N ASN 74.A O no hydrogen 3.034 N/A ARG 78.A NE ASN 74.A OD1 no hydrogen 2.936 N/A PHE 79.A N ARG 76.A O no hydrogen 3.113 N/A GLY 80.A N GLU 77.A O no hydrogen 2.885 N/A ILE 81.A N ARG 76.A O no hydrogen 2.868 N/A GLN 84.A NE2 GLN 87.A OE1 no hydrogen 2.985 N/A TYR 86.A N ASP 82.A O no hydrogen 3.113 N/A TYR 86.A OH TYR 147.A OH no hydrogen 2.911 N/A GLN 87.A N ASP 83.A O no hydrogen 2.806 N/A GLN 87.A NE2 ASN 20.A O no hydrogen 3.426 N/A GLN 87.A NE2 ASN 20.A OD1 no hydrogen 3.078 N/A GLN 87.A NE2 ASN 24.A OD1 no hydrogen 2.737 N/A ASN 88.A N GLN 84.A O no hydrogen 2.783 N/A SER 89.A N ASP 85.A O no hydrogen 2.722 N/A SER 89.A OG ASP 85.A O no hydrogen 3.249 N/A SER 89.A OG ASP 104.A OD2 no hydrogen 2.647 N/A VAL 90.A N TYR 86.A O no hydrogen 3.134 N/A VAL 90.A N GLN 87.A O no hydrogen 3.059 N/A THR 91.A N GLN 87.A O no hydrogen 2.953 N/A THR 91.A N ASN 88.A O no hydrogen 3.309 N/A THR 91.A OG1 GLN 87.A O no hydrogen 3.029 N/A ARG 92.A N ASN 88.A O no hydrogen 3.001 N/A ILE 96.A N THR 101.A O no hydrogen 2.912 N/A ARG 98.A NH2 GLU 9.A OE2 no hydrogen 2.572 N/A LEU 100.A N ILE 109.A O no hydrogen 2.874 N/A THR 101.A N ILE 96.A O no hydrogen 2.729 N/A THR 102.A N PHE 107.A O no hydrogen 2.876 N/A THR 102.A OG1 ASP 104.A OD1 no hydrogen 2.899 N/A THR 102.A OG1 PHE 107.A O no hydrogen 3.293 N/A ARG 105.A N THR 102.A O no hydrogen 2.598 N/A ARG 105.A NH2 SER 166.A O no hydrogen 3.522 N/A ARG 106.A N ASP 104.A OD1 no hydrogen 3.126 N/A PHE 107.A N THR 102.A OG1 no hydrogen 2.911 N/A VAL 108.A N THR 161.A O no hydrogen 2.899 N/A ILE 109.A N LEU 100.A O no hydrogen 2.986 N/A LYS 110.A N VAL 159.A O no hydrogen 2.863 N/A THR 111.A N ARG 98.A O no hydrogen 3.031 N/A THR 111.A OG1 ARG 98.A O no hydrogen 3.429 N/A VAL 112.A N TYR 157.A O no hydrogen 2.797 N/A SER 113.A N ASP 116.A OD2 no hydrogen 2.845 N/A SER 113.A OG GLU 115.A OE1 no hydrogen 3.272 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 2.449 N/A ASP 116.A N SER 113.A OG no hydrogen 2.976 N/A VAL 117.A N SER 113.A O no hydrogen 3.241 N/A ALA 118.A N SER 114.A O no hydrogen 2.889 N/A GLU 119.A N GLU 115.A O no hydrogen 2.842 N/A MET 120.A N ASP 116.A O no hydrogen 2.908 N/A HIS 121.A N VAL 117.A O no hydrogen 3.241 N/A HIS 121.A ND1 VAL 117.A O no hydrogen 3.115 N/A ASN 122.A N ALA 118.A O no hydrogen 3.089 N/A ASN 122.A ND2 GLU 119.A OE2 no hydrogen 3.060 N/A ILE 123.A N GLU 119.A O no hydrogen 3.066 N/A LEU 124.A N HIS 121.A O no hydrogen 3.369 N/A TYR 127.A N ILE 123.A O no hydrogen 2.855 N/A TYR 127.A OH PRO 141.A O no hydrogen 2.451 N/A HIS 128.A N LEU 124.A O no hydrogen 2.999 N/A HIS 128.A NE2 ASN 74.A OD1 no hydrogen 2.521 N/A GLN 129.A N LYS 125.A O no hydrogen 3.233 N/A PHE 130.A N LYS 126.A O no hydrogen 3.049 N/A ILE 131.A N TYR 127.A O no hydrogen 3.019 N/A VAL 132.A N HIS 128.A O no hydrogen 2.878 N/A GLU 133.A N GLN 129.A O no hydrogen 2.994 N/A CYS 134.A N PHE 130.A O no hydrogen 3.069 N/A CYS 134.A SG PHE 130.A O no hydrogen 3.280 N/A CYS 134.A SG ILE 131.A O no hydrogen 3.893 N/A CYS 134.A SG ASN 137.A O no hydrogen 3.260 N/A HIS 135.A N VAL 132.A O no hydrogen 3.183 N/A GLY 136.A N ILE 131.A O no hydrogen 3.018 N/A ASN 137.A N CYS 134.A O no hydrogen 2.754 N/A THR 138.A OG1 ASP 227.A OD1 no hydrogen 2.961 N/A THR 138.A OG1 ASP 227.A OD2 no hydrogen 3.079 N/A LEU 139.A N ASP 227.A OD2 no hydrogen 2.576 N/A LEU 140.A N THR 138.A OG1 no hydrogen 2.636 N/A PHE 143.A N TYR 127.A OH no hydrogen 3.142 N/A LEU 144.A N VAL 160.A O no hydrogen 2.793 N/A TYR 147.A N MET 158.A O no hydrogen 2.716 N/A TYR 147.A OH TYR 86.A OH no hydrogen 2.911 N/A ARG 148.A N LYS 65.A O no hydrogen 2.903 N/A LEU 149.A N THR 156.A O no hydrogen 2.834 N/A THR 150.A N LYS 63.A O no hydrogen 2.966 N/A VAL 151.A N VAL 154.A O no hydrogen 3.275 N/A VAL 154.A N VAL 151.A O no hydrogen 3.168 N/A THR 156.A N LEU 149.A O no hydrogen 2.862 N/A MET 158.A N TYR 147.A O no hydrogen 2.761 N/A VAL 159.A N LYS 110.A O no hydrogen 2.880 N/A VAL 160.A N GLY 145.A O no hydrogen 2.700 N/A THR 161.A N VAL 108.A O no hydrogen 2.745 N/A ARG 162.A N GLN 142.A O no hydrogen 3.284 N/A ARG 162.A NE GLN 142.A OE1 no hydrogen 3.031 N/A ARG 162.A NH2 PHE 79.A O no hydrogen 2.798 N/A ARG 162.A NH2 GLN 142.A OE1 no hydrogen 2.951 N/A ASN 163.A N ARG 106.A O no hydrogen 2.876 N/A ASN 163.A ND2 ARG 105.A O no hydrogen 2.981 N/A LEU 165.A N ASN 163.A OD1 no hydrogen 2.781 N/A SER 166.A OG ASP 274.A OD2 no hydrogen 2.627 N/A HIS 167.A N ASP 274.A OD1 no hydrogen 3.263 N/A ARG 168.A N SER 166.A OG no hydrogen 3.135 N/A ARG 168.A NH1 GLU 268.A O no hydrogen 3.015 N/A ARG 168.A NH2 GLU 268.A O no hydrogen 3.452 N/A LEU 169.A N SER 166.A OG no hydrogen 2.703 N/A HIS 172.A N ILE 245.A O no hydrogen 2.801 N/A HIS 172.A NE2 GLU 254.A OE1 no hydrogen 2.634 N/A ARG 173.A NH1 TYR 175.A OH no hydrogen 3.536 N/A ARG 173.A NH1 GLU 206.A OE2 no hydrogen 2.472 N/A TYR 175.A N VAL 243.A O no hydrogen 2.685 N/A TYR 175.A OH GLU 206.A OE1 no hydrogen 2.615 N/A ASP 176.A N PHE 198.A O no hydrogen 2.852 N/A LEU 177.A N LEU 241.A O no hydrogen 3.263 N/A GLY 179.A N ASP 200.A OD2 no hydrogen 2.744 N/A ARG 184.A NH1 ASP 176.A O no hydrogen 3.281 N/A ARG 184.A NH2 ASP 176.A OD1 no hydrogen 3.077 N/A ALA 186.A N ASP 202.A OD1 no hydrogen 2.865 N/A GLU 190.A N SER 187.A OG no hydrogen 2.682 N/A LYS 191.A N SER 187.A O no hydrogen 2.805 N/A ALA 192.A N LYS 189.A O no hydrogen 3.132 N/A LYS 193.A N GLU 190.A O no hydrogen 2.924 N/A LYS 193.A NZ GLU 190.A OE2 no hydrogen 3.086 N/A THR 197.A N GLU 190.A OE1 no hydrogen 2.662 N/A PHE 198.A N LYS 174.A O no hydrogen 3.130 N/A LYS 199.A N ASP 202.A OD1 no hydrogen 3.255 N/A ASN 201.A N ARG 184.A O no hydrogen 3.096 N/A PHE 203.A N LYS 199.A O no hydrogen 2.712 N/A LEU 204.A N ASP 200.A O no hydrogen 2.687 N/A ASN 205.A N ASN 201.A O no hydrogen 2.519 N/A GLU 206.A N PHE 203.A O no hydrogen 3.304 N/A GLY 207.A N LEU 204.A O no hydrogen 2.973 N/A GLN 208.A NE2 TYR 175.A OH no hydrogen 2.605 N/A LYS 209.A NZ ASN 316.A O no hydrogen 3.400 N/A HIS 211.A N TYR 290.A OH no hydrogen 3.341 N/A VAL 212.A N THR 319.A O no hydrogen 3.149 N/A GLY 213.A N THR 319.A O no hydrogen 3.262 N/A LYS 217.A N GLY 213.A O no hydrogen 2.895 N/A LYS 217.A NZ LEU 318.A O no hydrogen 3.241 N/A LYS 218.A N GLU 214.A O no hydrogen 2.951 N/A LYS 218.A NZ GLU 222.A OE2 no hydrogen 3.144 N/A ASN 219.A N GLU 215.A O no hydrogen 3.214 N/A PHE 220.A N SER 216.A O no hydrogen 2.969 N/A LEU 221.A N LYS 217.A O no hydrogen 2.942 N/A GLU 222.A N LYS 218.A O no hydrogen 2.870 N/A LYS 223.A N ASN 219.A O no hydrogen 3.134 N/A LYS 223.A NZ ASN 219.A OD1 no hydrogen 3.494 N/A LEU 224.A N PHE 220.A O no hydrogen 2.894 N/A LYS 225.A N LEU 221.A O no hydrogen 3.057 N/A ARG 226.A N GLU 222.A O no hydrogen 3.373 N/A ASP 227.A N LYS 223.A O no hydrogen 2.926 N/A VAL 228.A N LEU 224.A O no hydrogen 3.008 N/A GLU 229.A N LYS 225.A O no hydrogen 3.227 N/A PHE 230.A N ARG 226.A O no hydrogen 2.864 N/A LEU 231.A N ASP 227.A O no hydrogen 3.022 N/A ALA 232.A N VAL 228.A O no hydrogen 2.904 N/A GLN 233.A N GLU 229.A O no hydrogen 2.812 N/A LEU 234.A N PHE 230.A O no hydrogen 3.143 N/A MET 237.A N THR 299.A O no hydrogen 3.293 N/A SER 240.A N ILE 295.A O no hydrogen 2.863 N/A SER 240.A OG ASP 176.A OD1 no hydrogen 2.857 N/A SER 240.A OG ASP 176.A OD2 no hydrogen 3.290 N/A LEU 241.A N LEU 177.A O no hydrogen 3.001 N/A LEU 242.A N ALA 293.A O no hydrogen 2.615 N/A VAL 243.A N TYR 175.A O no hydrogen 3.007 N/A GLY 244.A N PHE 291.A O no hydrogen 2.808 N/A ILE 245.A N ARG 173.A O no hydrogen 2.769 N/A HIS 246.A N VAL 289.A O no hydrogen 2.652 N/A HIS 246.A ND1 THR 170.A O no hydrogen 2.511 N/A ASP 247.A N HIS 172.A ND1 no hydrogen 3.050 N/A VAL 248.A N LYS 287.A O no hydrogen 3.085 N/A ARG 250.A N ASP 247.A OD1 no hydrogen 3.139 N/A ARG 250.A NE GLU 254.A OE2 no hydrogen 2.972 N/A ALA 251.A N ASP 247.A O no hydrogen 2.927 N/A GLU 252.A N VAL 248.A O no hydrogen 3.054 N/A GLN 253.A N ASP 249.A O no hydrogen 2.994 N/A GLN 253.A NE2 GLU 257.A OE1 no hydrogen 3.295 N/A GLU 254.A N ARG 250.A O no hydrogen 2.876 N/A GLU 255.A N ALA 251.A O no hydrogen 2.673 N/A MET 256.A N GLU 252.A O no hydrogen 2.981 N/A GLU 257.A N GLN 253.A O no hydrogen 2.854 N/A VAL 258.A N GLU 254.A O no hydrogen 2.960 N/A VAL 258.A N GLU 255.A O no hydrogen 2.945 N/A GLU 259.A N GLU 255.A O no hydrogen 3.179 N/A GLU 260.A N MET 256.A O no hydrogen 3.323 N/A ARG 261.A N GLU 257.A O no hydrogen 3.125 N/A ALA 262.A N VAL 258.A O no hydrogen 3.032 N/A GLU 263.A N GLU 259.A O no hydrogen 2.639 N/A GLU 263.A N GLU 260.A O no hydrogen 3.184 N/A ASP 264.A N ARG 261.A O no hydrogen 3.284 N/A SER 272.A N ASP 270.A OD1 no hydrogen 2.884 N/A SER 272.A OG ASP 270.A OD1 no hydrogen 2.607 N/A SER 272.A OG ASP 270.A OD2 no hydrogen 3.238 N/A VAL 273.A N ASP 270.A O no hydrogen 2.788 N/A ASP 274.A N ASP 270.A O no hydrogen 2.758 N/A TYR 276.A OH LEU 140.A O no hydrogen 3.188 N/A ALA 277.A N ASP 274.A O no hydrogen 3.190 N/A MET 278.A N TYR 290.A O no hydrogen 2.799 N/A LYS 279.A NZ GLU 268.A OE2 no hydrogen 3.162 N/A SER 280.A N GLU 288.A O no hydrogen 3.247 N/A SER 280.A OG GLU 288.A O no hydrogen 3.098 N/A HIS 281.A N HIS 211.A O no hydrogen 2.634 N/A SER 283.A N HIS 281.A ND1 no hydrogen 3.393 N/A SER 283.A OG HIS 281.A ND1 no hydrogen 2.450 N/A SER 284.A N HIS 281.A O no hydrogen 2.656 N/A SER 284.A OG LYS 286.A O no hydrogen 2.976 N/A GLU 288.A N SER 280.A OG no hydrogen 2.850 N/A VAL 289.A N HIS 246.A O no hydrogen 2.753 N/A TYR 290.A N MET 278.A O no hydrogen 2.884 N/A TYR 290.A OH GLU 288.A OE1 no hydrogen 2.347 N/A PHE 291.A N GLY 244.A O no hydrogen 2.800 N/A MET 292.A N TYR 276.A O no hydrogen 3.311 N/A ALA 293.A N LEU 242.A O no hydrogen 3.070 N/A ILE 294.A N LEU 139.A O no hydrogen 2.696 N/A ILE 295.A N SER 240.A O no hydrogen 2.733 N/A THR 299.A OG1 MET 237.A O no hydrogen 3.145 N/A ASN 302.A N GLN 305.A OE1 no hydrogen 3.116 N/A TYR 306.A N ASN 302.A O no hydrogen 2.705 N/A TYR 306.A OH TYR 239.A O no hydrogen 2.794 N/A SER 307.A N PRO 303.A O no hydrogen 2.735 N/A SER 307.A OG GLU 304.A O no hydrogen 2.582 N/A LYS 308.A N GLU 304.A O no hydrogen 3.218 N/A ARG 309.A N GLN 305.A O no hydrogen 3.010 N/A PHE 310.A N TYR 306.A O no hydrogen 2.727 N/A ASN 311.A N SER 307.A O no hydrogen 2.616 N/A GLU 312.A N LYS 308.A O no hydrogen 2.987 N/A PHE 313.A N ARG 309.A O no hydrogen 3.166 N/A MET 314.A N PHE 310.A O no hydrogen 3.226 N/A SER 315.A N ASN 311.A O no hydrogen 3.172 N/A SER 315.A OG ASN 311.A O no hydrogen 3.317 N/A SER 315.A OG GLU 312.A O no hydrogen 2.779 N/A ASN 316.A N PHE 313.A O no hydrogen 2.686 N/A ILE 317.A N MET 314.A O no hydrogen 2.421 N/A THR 319.A N LEU 210.A O no hydrogen 2.945 N/A