Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xsa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N SER 166.A O no hydrogen 2.767 N/A VAL 5.A N ALA 172.A O no hydrogen 2.850 N/A ALA 6.A N VAL 164.A O no hydrogen 2.792 N/A CYS 8.A SG ASP 299.A OD1 no hydrogen 3.391 N/A GLY 9.A N ALA 162.A O no hydrogen 2.979 N/A TRP 11.A N GLY 160.A O no hydrogen 2.993 N/A VAL 16.A N VAL 40.A O no hydrogen 2.783 N/A THR 17.A N GLN 20.A OE1 no hydrogen 2.987 N/A THR 17.A OG1 GLN 20.A OE1 no hydrogen 2.983 N/A THR 18.A N LEU 38.A O no hydrogen 3.012 N/A THR 18.A OG1 MET 37.A O no hydrogen 2.387 N/A GLU 19.A N GLU 19.A OE1 no hydrogen 3.025 N/A GLN 20.A N THR 17.A OG1 no hydrogen 2.985 N/A ALA 21.A N THR 17.A O no hydrogen 3.029 N/A LEU 22.A N THR 18.A O no hydrogen 2.767 N/A ALA 23.A N GLU 19.A O no hydrogen 2.955 N/A ALA 24.A N GLN 20.A O no hydrogen 2.895 N/A GLY 25.A N LEU 22.A O no hydrogen 3.015 N/A HIS 26.A N ALA 21.A O no hydrogen 2.833 N/A CYS 27.A N ALA 21.A O no hydrogen 3.317 N/A CYS 27.A SG ASP 28.A O no hydrogen 3.472 N/A LEU 31.A N ASP 28.A OD1 no hydrogen 2.984 N/A ALA 32.A N ASP 28.A O no hydrogen 2.951 N/A SER 33.A N ARG 29.A O no hydrogen 3.031 N/A SER 34.A N ARG 30.A O no hydrogen 2.819 N/A SER 34.A OG ARG 30.A O no hydrogen 3.073 N/A SER 34.A OG LEU 31.A O no hydrogen 3.168 N/A THR 35.A N LEU 31.A O no hydrogen 2.947 N/A THR 35.A OG1 LEU 31.A O no hydrogen 2.784 N/A THR 35.A OG1 ALA 32.A O no hydrogen 3.552 N/A ARG 36.A N ALA 32.A O no hydrogen 2.872 N/A MET 37.A N THR 35.A OG1 no hydrogen 3.377 N/A LEU 38.A N ARG 284.A O no hydrogen 2.754 N/A SER 39.A N ARG 284.A O no hydrogen 3.204 N/A SER 39.A OG ARG 285.A O no hydrogen 2.679 N/A VAL 40.A N VAL 16.A O no hydrogen 2.825 N/A ALA 41.A N THR 286.A O no hydrogen 2.885 N/A VAL 42.A N PRO 14.A O no hydrogen 3.020 N/A ALA 43.A N ASP 158.A OD2 no hydrogen 2.728 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.823 N/A THR 47.A N GLU 50.A OE1 no hydrogen 3.290 N/A MET 51.A N THR 47.A O no hydrogen 2.981 N/A ALA 52.A N PRO 48.A O no hydrogen 2.870 N/A ALA 53.A N ALA 49.A O no hydrogen 2.807 N/A LEU 54.A N GLU 50.A O no hydrogen 3.035 N/A ALA 55.A N MET 51.A O no hydrogen 3.151 N/A ALA 56.A N ALA 52.A O no hydrogen 2.893 N/A GLN 57.A N ALA 53.A O no hydrogen 2.965 N/A GLN 57.A NE2 VAL 95.A O no hydrogen 3.572 N/A THR 58.A N LEU 54.A O no hydrogen 3.310 N/A THR 58.A OG1 LEU 54.A O no hydrogen 3.347 N/A ALA 59.A N ALA 55.A O no hydrogen 2.968 N/A LEU 60.A N ALA 56.A O no hydrogen 2.736 N/A ASP 61.A N GLN 57.A O no hydrogen 2.842 N/A ARG 62.A N THR 58.A O no hydrogen 2.977 N/A ARG 62.A NH1 CYS 8.A O no hydrogen 2.795 N/A ARG 62.A NH1 ASP 299.A OD1 no hydrogen 2.886 N/A SER 63.A N ALA 59.A O no hydrogen 2.997 N/A SER 63.A OG ALA 59.A O no hydrogen 3.518 N/A SER 63.A OG LEU 60.A O no hydrogen 2.664 N/A GLY 64.A N LEU 60.A O no hydrogen 3.091 N/A VAL 65.A N SER 63.A OG no hydrogen 3.144 N/A HIS 69.A N ALA 66.A O no hydrogen 2.805 N/A VAL 70.A N PRO 67.A O no hydrogen 3.004 N/A ASP 71.A N ALA 131.A O no hydrogen 2.741 N/A VAL 73.A N PRO 102.A O no hydrogen 3.017 N/A LEU 74.A N LEU 133.A O no hydrogen 2.813 N/A HIS 75.A N MET 104.A O no hydrogen 2.862 N/A HIS 75.A ND1 THR 135.A OG1 no hydrogen 2.921 N/A HIS 75.A NE2 GLN 81.A OE1 no hydrogen 2.655 N/A ALA 76.A N THR 135.A O no hydrogen 2.689 N/A LEU 78.A N ASP 138.A OD1 no hydrogen 2.946 N/A LEU 78.A N ASP 138.A OD2 no hydrogen 3.421 N/A TYR 79.A N ASP 138.A OD2 no hydrogen 2.914 N/A GLN 81.A NE2 TYR 79.A O no hydrogen 2.894 N/A GLN 81.A NE2 GLY 137.A O no hydrogen 3.258 N/A TYR 91.A N ALA 87.A O no hydrogen 3.145 N/A VAL 92.A N PRO 88.A O no hydrogen 3.024 N/A GLN 93.A N SER 89.A O no hydrogen 2.893 N/A GLN 93.A NE2 ASN 99.A OD1 no hydrogen 2.860 N/A GLN 93.A NE2 CYS 101.A O no hydrogen 2.738 N/A ARG 94.A N SER 90.A O no hydrogen 2.736 N/A VAL 95.A N TYR 91.A O no hydrogen 2.788 N/A ALA 96.A N VAL 92.A O no hydrogen 2.866 N/A VAL 97.A N GLN 93.A O no hydrogen 3.023 N/A GLY 98.A N GLN 93.A O no hydrogen 2.784 N/A ASN 99.A ND2 PRO 67.A O no hydrogen 3.289 N/A CYS 101.A SG VAL 70.A O no hydrogen 3.449 N/A CYS 101.A SG PRO 102.A O no hydrogen 3.504 N/A MET 104.A N VAL 73.A O no hydrogen 2.923 N/A VAL 106.A N HIS 75.A O no hydrogen 3.048 N/A ARG 107.A NE SER 77.A O no hydrogen 3.340 N/A ARG 107.A NE SER 77.A OG no hydrogen 3.356 N/A ARG 107.A NH2 SER 77.A OG no hydrogen 2.992 N/A ASN 110.A ND2 GLN 108.A OE1 no hydrogen 2.747 N/A ASN 110.A ND2 SER 325.A OG no hydrogen 2.723 N/A GLY 111.A N VAL 109.A O no hydrogen 3.044 N/A GLY 112.A N GLY 291.A O no hydrogen 3.019 N/A ALA 114.A N ASN 110.A O no hydrogen 2.887 N/A ALA 115.A N GLY 111.A O no hydrogen 2.945 N/A LEU 116.A N GLY 112.A O no hydrogen 3.101 N/A GLU 117.A N MET 113.A O no hydrogen 2.968 N/A LEU 118.A N ALA 114.A O no hydrogen 3.260 N/A ALA 119.A N ALA 115.A O no hydrogen 2.752 N/A ARG 120.A N LEU 116.A O no hydrogen 2.885 N/A ARG 120.A NH2 GLU 117.A OE1 no hydrogen 2.987 N/A ARG 120.A NH2 LEU 177.A O no hydrogen 2.912 N/A ALA 121.A N GLU 117.A O no hydrogen 3.173 N/A TYR 122.A N LEU 118.A O no hydrogen 2.853 N/A LEU 123.A N ALA 119.A O no hydrogen 2.925 N/A LEU 124.A N ARG 120.A O no hydrogen 2.974 N/A ALA 125.A N TYR 122.A O no hydrogen 3.302 N/A ARG 129.A N ALA 126.A O no hydrogen 3.318 N/A ARG 129.A NH1 TYR 122.A O no hydrogen 2.846 N/A VAL 130.A N ASP 71.A OD2 no hydrogen 2.621 N/A ALA 131.A N HIS 69.A O no hydrogen 3.036 N/A ALA 132.A N LEU 165.A O no hydrogen 2.768 N/A LEU 133.A N LEU 72.A O no hydrogen 2.797 N/A ILE 134.A N LEU 163.A O no hydrogen 2.935 N/A THR 135.A N LEU 74.A O no hydrogen 2.851 N/A THR 135.A OG1 HIS 75.A ND1 no hydrogen 2.921 N/A THR 136.A N THR 161.A O no hydrogen 3.066 N/A THR 136.A OG1 THR 161.A OG1 no hydrogen 2.643 N/A GLY 137.A N ALA 76.A O no hydrogen 3.274 N/A ASP 138.A N GLY 159.A O no hydrogen 3.310 N/A ARG 139.A NH1 ASP 44.A O no hydrogen 2.964 N/A ARG 139.A NH1 GLU 46.A O no hydrogen 3.002 N/A ARG 139.A NH2 ASP 44.A O no hydrogen 2.739 N/A MET 140.A N ASP 158.A OD1 no hydrogen 2.708 N/A HIS 141.A NE2 ASP 158.A OD2 no hydrogen 2.956 N/A PHE 145.A N HIS 141.A O no hydrogen 3.343 N/A ASP 146.A N SER 150.A OG no hydrogen 2.792 N/A ARG 147.A NH1 TYR 156.A O no hydrogen 2.694 N/A ARG 147.A NH1 ASP 158.A OD1 no hydrogen 3.112 N/A ARG 147.A NH2 ASP 158.A OD1 no hydrogen 3.178 N/A ARG 147.A NH2 ASP 158.A OD2 no hydrogen 3.064 N/A TRP 148.A N ASP 146.A OD1 no hydrogen 3.121 N/A SER 149.A N ASP 146.A O no hydrogen 3.232 N/A SER 149.A N ASP 146.A OD1 no hydrogen 2.991 N/A SER 150.A N ASP 146.A O no hydrogen 2.865 N/A SER 150.A OG ASP 146.A O no hydrogen 3.138 N/A SER 150.A OG VAL 206.A O no hydrogen 2.773 N/A THR 154.A N ASP 151.A O no hydrogen 3.046 N/A TYR 156.A N ARG 147.A O no hydrogen 3.037 N/A TYR 156.A OH ASP 151.A OD2 no hydrogen 2.665 N/A ALA 157.A N HIS 288.A O no hydrogen 2.934 N/A ASP 158.A N ALA 41.A O no hydrogen 3.028 N/A GLY 159.A N ASP 138.A O no hydrogen 3.303 N/A GLY 160.A N TRP 11.A O no hydrogen 3.032 N/A THR 161.A N THR 136.A O no hydrogen 3.129 N/A THR 161.A OG1 THR 136.A OG1 no hydrogen 2.643 N/A ALA 162.A N GLY 9.A O no hydrogen 2.794 N/A LEU 163.A N ILE 134.A O no hydrogen 2.839 N/A VAL 164.A N GLY 7.A O no hydrogen 2.805 N/A LEU 165.A N ALA 132.A O no hydrogen 2.910 N/A SER 166.A N TYR 4.A O no hydrogen 2.895 N/A SER 166.A OG VAL 130.A O no hydrogen 3.487 N/A SER 166.A OG GLY 169.A O no hydrogen 3.507 N/A ARG 167.A N VAL 130.A O no hydrogen 2.844 N/A ARG 167.A NH1 LEU 123.A O no hydrogen 2.932 N/A GLN 168.A N SER 166.A OG no hydrogen 2.973 N/A GLY 169.A N SER 166.A OG no hydrogen 3.413 N/A ALA 172.A N VAL 5.A O no hydrogen 3.419 N/A ARG 173.A N GLU 330.A O no hydrogen 2.751 N/A ARG 173.A NE ASP 2.A O no hydrogen 3.046 N/A ARG 173.A NH2 ASP 2.A O no hydrogen 3.033 N/A LEU 174.A N LEU 3.A O no hydrogen 2.918 N/A ARG 175.A N VAL 328.A O no hydrogen 2.807 N/A ARG 175.A NE ASP 2.A OD2 no hydrogen 3.147 N/A ARG 175.A NH1 GLU 330.A OE1 no hydrogen 3.075 N/A ARG 175.A NH2 ASP 2.A OD2 no hydrogen 2.587 N/A SER 176.A N VAL 328.A O no hydrogen 3.260 N/A SER 176.A OG ALA 239.A O no hydrogen 2.696 N/A VAL 178.A N CYS 326.A O no hydrogen 2.969 N/A THR 179.A OG1 GLU 117.A OE2 no hydrogen 2.537 N/A THR 179.A OG1 SER 325.A OG no hydrogen 2.895 N/A VAL 180.A N TRP 324.A O no hydrogen 2.689 N/A GLU 182.A N PHE 322.A O no hydrogen 3.044 N/A LEU 185.A N GLU 182.A O no hydrogen 3.120 N/A GLU 186.A N PRO 183.A O no hydrogen 2.966 N/A MET 188.A N LEU 185.A O no hydrogen 2.919 N/A HIS 189.A N GLU 186.A O no hydrogen 3.470 N/A ARG 190.A N GLY 187.A O no hydrogen 3.443 N/A ARG 190.A NE GLU 186.A OE1 no hydrogen 2.793 N/A ARG 190.A NH1 GLY 191.A O no hydrogen 3.067 N/A ARG 190.A NH1 HIS 193.A O no hydrogen 3.011 N/A ARG 190.A NH2 GLU 186.A OE2 no hydrogen 2.797 N/A ARG 190.A NH2 HIS 193.A O no hydrogen 3.051 N/A PHE 195.A N HIS 193.A ND1 no hydrogen 2.903 N/A GLY 196.A N HIS 193.A O no hydrogen 2.924 N/A SER 199.A N GLY 191.A O no hydrogen 3.005 N/A SER 199.A OG PRO 200.A O no hydrogen 3.462 N/A VAL 206.A N GLY 144.A O no hydrogen 2.950 N/A LEU 208.A N SER 150.A O no hydrogen 2.786 N/A ALA 210.A N ASP 207.A OD1 no hydrogen 3.320 N/A LYS 212.A N LEU 208.A O no hydrogen 2.932 N/A ARG 213.A N ASP 209.A O no hydrogen 2.987 N/A ARG 213.A NE ASP 209.A OD2 no hydrogen 3.053 N/A ALA 214.A N ALA 210.A O no hydrogen 3.165 N/A TYR 215.A N HIS 211.A O no hydrogen 2.905 N/A TYR 215.A OH VAL 184.A O no hydrogen 2.698 N/A VAL 216.A N LYS 212.A O no hydrogen 2.939 N/A ALA 217.A N ARG 213.A O no hydrogen 2.964 N/A GLU 218.A N ALA 214.A O no hydrogen 3.151 N/A ALA 219.A N TYR 215.A O no hydrogen 2.714 N/A GLY 220.A N VAL 216.A O no hydrogen 2.765 N/A SER 224.A N GLY 220.A O no hydrogen 3.133 N/A SER 224.A OG GLY 220.A O no hydrogen 2.773 N/A VAL 225.A N SER 221.A O no hydrogen 2.931 N/A ALA 226.A N SER 222.A O no hydrogen 3.163 N/A ARG 227.A N PHE 223.A O no hydrogen 2.990 N/A ARG 227.A NH1 GLU 182.A OE1 no hydrogen 3.078 N/A VAL 228.A N SER 224.A O no hydrogen 3.026 N/A SER 229.A N VAL 225.A O no hydrogen 2.932 N/A SER 229.A OG VAL 225.A O no hydrogen 2.633 N/A ALA 230.A N ALA 226.A O no hydrogen 2.861 N/A GLY 231.A N ARG 227.A O no hydrogen 2.996 N/A GLN 232.A N VAL 228.A O no hydrogen 3.116 N/A GLN 232.A NE2 GLN 232.A O no hydrogen 3.069 N/A GLU 233.A N SER 229.A O no hydrogen 2.966 N/A GLU 234.A N ALA 230.A O no hydrogen 2.878 N/A ALA 235.A N GLY 231.A O no hydrogen 3.016 N/A LEU 236.A N GLN 232.A O no hydrogen 3.042 N/A THR 237.A N GLU 233.A O no hydrogen 2.968 N/A THR 237.A OG1 GLU 233.A O no hydrogen 3.236 N/A THR 237.A OG1 GLU 233.A OE2 no hydrogen 2.928 N/A GLY 238.A N GLU 234.A O no hydrogen 2.754 N/A ALA 239.A N ALA 235.A O no hydrogen 2.859 N/A LEU 240.A N LEU 236.A O no hydrogen 3.042 N/A GLU 241.A N THR 237.A O no hydrogen 3.000 N/A ALA 242.A N GLY 238.A O no hydrogen 3.113 N/A ALA 243.A N ALA 239.A O no hydrogen 3.181 N/A ALA 243.A N LEU 240.A O no hydrogen 3.144 N/A GLY 244.A N GLU 241.A O no hydrogen 2.966 N/A ALA 245.A N LEU 240.A O no hydrogen 2.741 N/A GLY 246.A N ASP 249.A OD2 no hydrogen 2.886 N/A ASP 249.A N GLY 246.A O no hydrogen 2.921 N/A ILE 250.A N LEU 247.A O no hydrogen 3.116 N/A SER 251.A N LEU 312.A O no hydrogen 2.947 N/A ARG 252.A NE ARG 306.A O no hydrogen 3.292 N/A VAL 253.A N ARG 277.A O no hydrogen 2.898 N/A VAL 254.A N LEU 314.A O no hydrogen 2.613 N/A LEU 255.A N THR 279.A OG1 no hydrogen 3.233 N/A HIS 257.A N ASP 293.A OD2 no hydrogen 2.626 N/A HIS 257.A ND1 GLY 287.A O no hydrogen 2.805 N/A GLY 259.A N GLY 153.A O no hydrogen 2.867 N/A TRP 260.A N THR 35.A O no hydrogen 2.750 N/A ARG 261.A N SER 34.A O no hydrogen 3.212 N/A ARG 262.A NH1 ASP 151.A OD1 no hydrogen 3.043 N/A ARG 262.A NH1 THR 154.A OG1 no hydrogen 2.767 N/A ARG 262.A NH2 ASP 151.A OD1 no hydrogen 3.108 N/A LEU 263.A N GLY 259.A O no hydrogen 3.077 N/A SER 264.A N TRP 260.A O no hydrogen 2.806 N/A SER 264.A OG TRP 260.A O no hydrogen 2.724 N/A ALA 265.A N ARG 261.A O no hydrogen 3.036 N/A ALA 266.A N ARG 262.A O no hydrogen 2.880 N/A TYR 267.A N LEU 263.A O no hydrogen 2.773 N/A TYR 267.A OH GLN 232.A OE1 no hydrogen 2.668 N/A PHE 268.A N LEU 263.A O no hydrogen 3.074 N/A ASN 269.A N SER 264.A O no hydrogen 2.875 N/A LYS 270.A N TYR 267.A O no hydrogen 3.263 N/A TRP 271.A N TYR 267.A O no hydrogen 2.738 N/A ARG 277.A N GLN 274.A O no hydrogen 2.931 N/A ARG 277.A NH2 ILE 250.A O no hydrogen 3.257 N/A THR 278.A N PRO 275.A O no hydrogen 3.038 N/A THR 278.A OG1 PRO 275.A O no hydrogen 2.863 N/A TRP 280.A N THR 278.A OG1 no hydrogen 3.037 N/A GLY 283.A N THR 279.A O no hydrogen 2.845 N/A ARG 284.A N TRP 280.A O no hydrogen 2.919 N/A ARG 284.A NE ARG 36.A O no hydrogen 3.036 N/A ARG 284.A NH1 GLU 281.A OE1 no hydrogen 3.228 N/A ARG 284.A NH2 ARG 36.A O no hydrogen 3.014 N/A ARG 285.A N PHE 282.A O no hydrogen 3.186 N/A ARG 285.A NH1 GLU 281.A O no hydrogen 3.030 N/A ARG 285.A NH1 GLU 281.A OE1 no hydrogen 2.888 N/A THR 286.A N GLY 283.A O no hydrogen 2.923 N/A THR 286.A OG1 PHE 282.A O no hydrogen 2.777 N/A GLY 287.A N GLY 283.A O no hydrogen 2.830 N/A HIS 288.A N VAL 155.A O no hydrogen 2.800 N/A HIS 288.A ND1 ASP 293.A OD2 no hydrogen 2.533 N/A LEU 289.A N ASP 293.A OD1 no hydrogen 2.659 N/A GLY 292.A N LEU 289.A O no hydrogen 2.848 N/A ALA 296.A N GLY 292.A O no hydrogen 2.873 N/A GLY 297.A N ASP 293.A O no hydrogen 2.820 N/A PHE 298.A N PRO 294.A O no hydrogen 3.158 N/A ASP 299.A N ILE 295.A O no hydrogen 2.888 N/A HIS 300.A N ALA 296.A O no hydrogen 2.859 N/A LEU 301.A N GLY 297.A O no hydrogen 3.006 N/A VAL 302.A N PHE 298.A O no hydrogen 2.982 N/A GLY 303.A N ASP 299.A O no hydrogen 2.956 N/A SER 304.A N HIS 300.A O no hydrogen 3.031 N/A SER 304.A OG HIS 300.A O no hydrogen 2.811 N/A SER 304.A OG LEU 301.A O no hydrogen 3.526 N/A GLY 305.A N VAL 302.A O no hydrogen 3.065 N/A ARG 306.A N LEU 301.A O no hydrogen 3.055 N/A ARG 306.A NE HIS 300.A NE2 no hydrogen 3.276 N/A ALA 308.A N GLU 311.A OE1 no hydrogen 2.971 N/A GLY 310.A N LEU 331.A O no hydrogen 2.700 N/A GLU 311.A N ALA 308.A O no hydrogen 2.818 N/A CYS 313.A N VAL 329.A O no hydrogen 2.697 N/A CYS 313.A SG ARG 252.A O no hydrogen 3.733 N/A LEU 314.A N ARG 252.A O no hydrogen 2.942 N/A LEU 315.A N ALA 327.A O no hydrogen 2.780 N/A VAL 316.A N VAL 254.A O no hydrogen 2.829 N/A SER 317.A N SER 325.A O no hydrogen 2.949 N/A SER 317.A OG ASN 110.A OD1 no hydrogen 2.564 N/A GLY 319.A N SER 323.A O no hydrogen 2.981 N/A PHE 322.A N GLU 182.A O no hydrogen 3.112 N/A SER 323.A N GLY 319.A O no hydrogen 3.103 N/A TRP 324.A N VAL 180.A O no hydrogen 2.877 N/A SER 325.A N SER 317.A O no hydrogen 3.039 N/A SER 325.A OG THR 179.A OG1 no hydrogen 2.895 N/A CYS 326.A N VAL 178.A O no hydrogen 3.064 N/A ALA 327.A N LEU 315.A O no hydrogen 3.092 N/A VAL 328.A N SER 176.A O no hydrogen 3.073 N/A VAL 328.A N SER 176.A OG no hydrogen 3.239 N/A VAL 329.A N CYS 313.A O no hydrogen 2.817 N/A GLU 330.A N ARG 173.A O no hydrogen 2.851 N/A LEU 331.A N GLU 311.A O no hydrogen 3.006 N/A LEU 332.A N PHE 171.A O no hydrogen 2.800 N/A GLU 333.A N PHE 171.A O no hydrogen 3.122 N/A ARG 334.A NH2 GLY 305.A O no hydrogen 3.407 N/A ALA 338.A N PRO 335.A O no hydrogen 3.060 N/A ALA 339.A N GLY 303.A O no hydrogen 2.821 N/A