Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7pus_AAA.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ASP 66.A OD2 no hydrogen 3.005 N/A GLU 3.A N ARG 20.A O no hydrogen 2.848 N/A ILE 5.A N SER 18.A O no hydrogen 2.925 N/A GLU 6.A N SER 18.A OG no hydrogen 3.336 N/A ILE 8.A N VAL 16.A O no hydrogen 2.835 N/A GLY 9.A N VAL 16.A O no hydrogen 2.902 N/A ASN 10.A N TYR 13.A OH no hydrogen 3.218 N/A VAL 15.A N LYS 32.A O no hydrogen 3.097 N/A VAL 16.A N GLY 9.A O no hydrogen 3.303 N/A SER 17.A N ILE 30.A O no hydrogen 2.858 N/A SER 18.A N GLU 6.A O no hydrogen 2.809 N/A SER 18.A OG GLU 6.A O no hydrogen 3.386 N/A ALA 19.A N VAL 28.A O no hydrogen 2.860 N/A ARG 20.A N GLU 3.A O no hydrogen 2.939 N/A ARG 21.A N GLN 26.A O no hydrogen 3.118 N/A ARG 22.A N GLU 1.A O no hydrogen 2.945 N/A THR 24.A OG1 GLN 26.A OE1 no hydrogen 3.272 N/A GLY 25.A N ARG 21.A O no hydrogen 2.712 N/A GLN 26.A N THR 24.A OG1 no hydrogen 3.294 N/A VAL 28.A N ALA 19.A O no hydrogen 2.703 N/A ALA 29.A N LEU 84.A O no hydrogen 2.832 N/A ILE 30.A N SER 17.A O no hydrogen 2.648 N/A LYS 31.A N VAL 82.A O no hydrogen 2.773 N/A LYS 32.A N VAL 15.A O no hydrogen 2.732 N/A ILE 33.A N VAL 80.A O no hydrogen 2.761 N/A ALA 36.A N LYS 78.A O no hydrogen 2.844 N/A ASP 38.A N ASN 35.A O no hydrogen 3.250 N/A ALA 43.A N VAL 39.A O no hydrogen 2.944 N/A LYS 44.A N VAL 40.A O no hydrogen 2.839 N/A LYS 44.A NZ ASP 315.A O no hydrogen 3.067 N/A LYS 44.A NZ GLU 317.A O no hydrogen 2.916 N/A ARG 45.A N THR 41.A O no hydrogen 3.115 N/A ARG 45.A NH1 ASN 42.A OD1 no hydrogen 3.314 N/A THR 46.A N ASN 42.A O no hydrogen 2.881 N/A THR 46.A OG1 ASN 42.A O no hydrogen 3.146 N/A LEU 47.A N ALA 43.A O no hydrogen 2.947 N/A ARG 48.A N LYS 44.A O no hydrogen 3.030 N/A ARG 48.A NE ASP 315.A OD1 no hydrogen 3.242 N/A ARG 48.A NH1 GLY 149.A O no hydrogen 2.973 N/A ARG 48.A NH2 ASP 315.A OD1 no hydrogen 2.998 N/A GLU 49.A N ARG 45.A O no hydrogen 2.905 N/A LEU 50.A N THR 46.A O no hydrogen 2.931 N/A LYS 51.A N LEU 47.A O no hydrogen 3.014 N/A LYS 51.A NZ GLU 331.A OE2 no hydrogen 3.393 N/A ILE 52.A N ARG 48.A O no hydrogen 3.029 N/A LEU 53.A N GLU 49.A O no hydrogen 2.924 N/A LYS 54.A N LEU 50.A O no hydrogen 3.025 N/A LYS 54.A NZ GLU 331.A O no hydrogen 2.849 N/A LYS 54.A NZ GLU 331.A OE1 no hydrogen 2.736 N/A LYS 54.A NZ ASP 334.A OD2 no hydrogen 3.028 N/A HIS 55.A N LYS 51.A O no hydrogen 2.951 N/A HIS 55.A N ILE 52.A O no hydrogen 2.968 N/A HIS 55.A NE2 PRO 308.A O no hydrogen 2.956 N/A PHE 56.A N ILE 52.A O no hydrogen 3.192 N/A LYS 57.A N TYR 119.A OH no hydrogen 2.958 N/A ASN 60.A N HIS 58.A ND1 no hydrogen 3.003 N/A ASN 60.A ND2 LEU 143.A O no hydrogen 2.979 N/A ILE 61.A N HIS 58.A O no hydrogen 3.186 N/A ILE 62.A N ILE 145.A O no hydrogen 2.979 N/A ALA 63.A N ASP 85.A OD2 no hydrogen 2.827 N/A LYS 65.A N VAL 83.A O no hydrogen 2.727 N/A ASP 66.A N VAL 83.A O no hydrogen 3.233 N/A LEU 68.A N TYR 81.A O no hydrogen 3.118 N/A TYR 74.A OH GLU 322.A OE2 no hydrogen 2.840 N/A GLU 76.A N PRO 73.A O no hydrogen 2.790 N/A PHE 77.A N TYR 74.A O no hydrogen 3.127 N/A VAL 80.A N ILE 33.A O no hydrogen 3.064 N/A VAL 82.A N LYS 31.A O no hydrogen 2.884 N/A VAL 83.A N ASP 66.A O no hydrogen 2.609 N/A LEU 84.A N ALA 29.A O no hydrogen 2.685 N/A SER 89.A N VAL 137.A O no hydrogen 2.824 N/A SER 89.A OG ASP 90.A O no hydrogen 3.535 N/A ASP 90.A N SER 89.A OG no hydrogen 2.775 N/A LEU 91.A N PRO 132.A O no hydrogen 3.233 N/A LEU 91.A N LEU 135.A O no hydrogen 2.924 N/A GLN 93.A N ASP 90.A OD1 no hydrogen 3.121 N/A ILE 94.A N ASP 90.A O no hydrogen 3.191 N/A ILE 94.A N LEU 91.A O no hydrogen 3.311 N/A ILE 95.A N LEU 91.A O no hydrogen 2.883 N/A HIS 96.A N HIS 92.A O no hydrogen 2.900 N/A HIS 96.A NE2 GLU 201.A OE2 no hydrogen 2.711 N/A SER 97.A OG GLN 93.A O no hydrogen 3.064 N/A SER 97.A OG ILE 94.A O no hydrogen 2.704 N/A GLN 99.A N SER 97.A OG no hydrogen 3.239 N/A THR 102.A N HIS 105.A ND1 no hydrogen 3.020 N/A THR 102.A OG1 HIS 105.A ND1 no hydrogen 2.897 N/A GLU 104.A N THR 102.A OG1 no hydrogen 3.037 N/A HIS 105.A ND1 THR 102.A OG1 no hydrogen 2.897 N/A VAL 106.A N THR 102.A O no hydrogen 3.167 N/A ARG 107.A N LEU 103.A O no hydrogen 2.880 N/A ARG 107.A NE GLU 104.A OE1 no hydrogen 3.227 N/A ARG 107.A NH1 PHE 293.A O no hydrogen 2.609 N/A ARG 107.A NH2 GLU 104.A OE2 no hydrogen 2.858 N/A TYR 108.A N GLU 104.A O no hydrogen 3.029 N/A PHE 109.A N HIS 105.A O no hydrogen 2.845 N/A LEU 110.A N VAL 106.A O no hydrogen 2.888 N/A TYR 111.A N ARG 107.A O no hydrogen 2.984 N/A TYR 111.A OH GLU 303.A OE2 no hydrogen 2.585 N/A GLN 112.A N TYR 108.A O no hydrogen 3.056 N/A GLN 112.A NE2 TYR 108.A O no hydrogen 3.593 N/A GLN 112.A NE2 CYS 141.A O no hydrogen 3.125 N/A LEU 113.A N PHE 109.A O no hydrogen 2.993 N/A LEU 114.A N LEU 110.A O no hydrogen 2.956 N/A ARG 115.A N TYR 111.A O no hydrogen 2.920 N/A ARG 115.A NE ASP 302.A O no hydrogen 3.191 N/A ARG 115.A NH1 ASN 60.A OD1 no hydrogen 2.716 N/A ARG 115.A NH2 ASP 302.A O no hydrogen 2.984 N/A GLY 116.A N GLN 112.A O no hydrogen 2.981 N/A LEU 117.A N LEU 113.A O no hydrogen 2.928 N/A LYS 118.A N LEU 114.A O no hydrogen 2.821 N/A LYS 118.A NZ GLU 303.A O no hydrogen 3.039 N/A LYS 118.A NZ ASP 305.A OD1 no hydrogen 2.770 N/A TYR 119.A N ARG 115.A O no hydrogen 3.402 N/A MET 120.A N GLY 116.A O no hydrogen 3.091 N/A HIS 121.A N LEU 117.A O no hydrogen 2.690 N/A HIS 121.A NE2 ASP 191.A OD2 no hydrogen 2.780 N/A SER 122.A N LYS 118.A O no hydrogen 3.091 N/A SER 122.A OG LYS 118.A O no hydrogen 3.346 N/A SER 122.A OG TYR 119.A O no hydrogen 2.632 N/A ALA 123.A N MET 120.A O no hydrogen 3.088 N/A GLN 124.A N HIS 121.A O no hydrogen 2.806 N/A VAL 125.A N MET 120.A O no hydrogen 3.391 N/A ILE 126.A N ARG 152.A O no hydrogen 2.885 N/A HIS 127.A N ASP 191.A OD2 no hydrogen 2.867 N/A HIS 127.A NE2 GLY 146.A O no hydrogen 2.970 N/A ARG 128.A N ASP 191.A OD1 no hydrogen 2.929 N/A ARG 128.A NE MET 150.A O no hydrogen 2.826 N/A ARG 128.A NH1 MET 150.A O no hydrogen 2.877 N/A ARG 128.A NH1 GLN 162.A OE1.A no hydrogen 3.417 N/A ARG 128.A NH1 GLN 162.A OE1.B no hydrogen 3.288 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 3.035 N/A LYS 131.A NZ THR 171.A OG1 no hydrogen 3.288 N/A ASN 134.A N LYS 131.A O no hydrogen 2.963 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.697 N/A LEU 135.A N PRO 132.A O no hydrogen 3.047 N/A LEU 136.A N LYS 144.A O no hydrogen 2.876 N/A VAL 137.A N SER 89.A O no hydrogen 2.874 N/A ASN 138.A N GLU 142.A O no hydrogen 3.238 N/A ASN 138.A ND2 GLU 142.A OE1 no hydrogen 3.092 N/A ASN 140.A N ASN 138.A OD1 no hydrogen 2.972 N/A CYS 141.A N ASN 138.A O no hydrogen 3.034 N/A GLU 142.A N ASN 138.A OD1 no hydrogen 2.975 N/A LEU 143.A N GLN 112.A OE1 no hydrogen 2.701 N/A LYS 144.A N LEU 136.A O no hydrogen 2.820 N/A LYS 144.A NZ ASP 59.A O no hydrogen 2.813 N/A ILE 145.A N ASN 60.A O no hydrogen 2.776 N/A GLY 146.A N ASN 134.A O no hydrogen 3.115 N/A ALA 151.A N PHE 148.A O no hydrogen 3.201 N/A ARG 152.A N ILE 126.A O no hydrogen 2.972 N/A ARG 152.A NH2 GLY 149.A O no hydrogen 3.386 N/A ARG 152.A NH2 ALA 151.A O no hydrogen 2.811 N/A GLU 160.A N SER 157.A O no hydrogen 3.371 N/A GLN 162.A NE2.A HIS 161.A NE2 no hydrogen 3.568 N/A TYR 163.A N GLU 160.A O no hydrogen 3.237 N/A PHE 164.A N HIS 161.A O no hydrogen 3.259 N/A MET 165.A N HIS 161.A O no hydrogen 3.040 N/A THR 166.A OG1 LEU 179.A O no hydrogen 2.495 N/A THR 166.A OG1 SER 182.A OG no hydrogen 2.830 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 3.012 N/A TYR 168.A N MET 165.A O no hydrogen 3.085 N/A VAL 169.A N THR 166.A O no hydrogen 3.077 N/A THR 171.A OG1 ASP 129.A OD1 no hydrogen 2.866 N/A ARG 172.A NH2 GLY 211.A O no hydrogen 2.424 N/A TRP 173.A NE1 GLY 211.A O no hydrogen 3.093 N/A TYR 174.A N THR 171.A O no hydrogen 3.084 N/A TYR 174.A OH GLU 201.A OE1 no hydrogen 2.712 N/A ARG 175.A N ARG 172.A O no hydrogen 3.354 N/A ARG 175.A NE VAL 169.A O no hydrogen 2.725 N/A ARG 175.A NH1 ALA 170.A O no hydrogen 3.136 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.768 N/A LEU 179.A N ALA 176.A O no hydrogen 2.920 N/A MET 180.A N ALA 176.A O no hydrogen 3.208 N/A LEU 181.A N PRO 177.A O no hydrogen 2.802 N/A SER 182.A N LEU 179.A O no hydrogen 3.455 N/A SER 182.A OG THR 166.A OG1 no hydrogen 2.830 N/A LEU 183.A N GLU 178.A O no hydrogen 3.018 N/A HIS 184.A N TYR 186.A OH no hydrogen 3.131 N/A GLN 188.A N GLN 188.A OE1 no hydrogen 2.759 N/A GLN 188.A NE2 HIS 121.A O no hydrogen 3.052 N/A ALA 189.A N THR 187.A OG1 no hydrogen 3.259 N/A ILE 190.A N THR 187.A O no hydrogen 2.895 N/A ASP 191.A N GLN 188.A O no hydrogen 2.908 N/A LEU 192.A N GLN 188.A O no hydrogen 3.456 N/A TRP 193.A N ALA 189.A O no hydrogen 3.180 N/A SER 194.A N ILE 190.A O no hydrogen 3.505 N/A SER 194.A OG TYR 174.A O no hydrogen 3.057 N/A SER 194.A OG ILE 190.A O no hydrogen 3.509 N/A VAL 195.A N ASP 191.A O no hydrogen 2.820 N/A GLY 196.A N LEU 192.A O no hydrogen 3.101 N/A CYS 197.A N TRP 193.A O no hydrogen 3.052 N/A CYS 197.A SG TRP 173.A O no hydrogen 3.916 N/A CYS 197.A SG TRP 193.A O no hydrogen 3.517 N/A ILE 198.A N SER 194.A O no hydrogen 2.913 N/A PHE 199.A N VAL 195.A O no hydrogen 2.725 N/A GLY 200.A N GLY 196.A O no hydrogen 2.932 N/A GLU 201.A N CYS 197.A O no hydrogen 2.979 N/A MET 202.A N ILE 198.A O no hydrogen 2.951 N/A MET 202.A N PHE 199.A O no hydrogen 3.052 N/A LEU 203.A N PHE 199.A O no hydrogen 3.054 N/A ALA 204.A N GLY 200.A O no hydrogen 3.133 N/A ARG 205.A NE ILE 95.A O no hydrogen 2.877 N/A ARG 205.A NH1 GLN 99.A O no hydrogen 2.953 N/A ARG 205.A NH2 ILE 94.A O no hydrogen 2.900 N/A ARG 205.A NH2 ILE 95.A O no hydrogen 3.050 N/A ARG 205.A NH2 GLN 99.A O no hydrogen 2.799 N/A GLN 207.A N GLN 207.A OE1 no hydrogen 2.646 N/A GLY 211.A N PHE 209.A O no hydrogen 3.018 N/A LYS 212.A N HIS 216.A ND1 no hydrogen 2.856 N/A TYR 214.A OH MET 180.A O no hydrogen 2.630 N/A HIS 216.A N ASN 213.A OD1 no hydrogen 2.953 N/A GLN 217.A N ASN 213.A O no hydrogen 2.845 N/A GLN 217.A NE2 PHE 209.A O no hydrogen 2.969 N/A LEU 218.A N TYR 214.A O no hydrogen 3.251 N/A GLN 219.A N VAL 215.A O no hydrogen 2.930 N/A LEU 220.A N HIS 216.A O no hydrogen 2.868 N/A ILE 221.A N GLN 217.A O no hydrogen 3.100 N/A MET 222.A N LEU 218.A O no hydrogen 2.998 N/A MET 222.A N GLN 219.A O no hydrogen 3.053 N/A MET 223.A N GLN 219.A O no hydrogen 2.958 N/A VAL 224.A N ILE 221.A O no hydrogen 3.238 N/A LEU 225.A N ILE 221.A O no hydrogen 2.905 N/A THR 227.A N ARG 251.A O no hydrogen 3.220 N/A THR 227.A OG1 ARG 251.A O no hydrogen 3.224 N/A ILE 233.A N SER 229.A O no hydrogen 2.996 N/A GLN 234.A N PRO 230.A O no hydrogen 2.968 N/A ALA 235.A N VAL 232.A O no hydrogen 2.868 N/A VAL 236.A N ILE 233.A O no hydrogen 3.248 N/A GLY 237.A N LEU 181.A O no hydrogen 3.131 N/A ARG 242.A N ALA 238.A O no hydrogen 3.138 N/A ARG 242.A NH2 VAL 236.A O no hydrogen 2.813 N/A ALA 243.A N GLU 239.A O no hydrogen 2.849 N/A TYR 244.A N ARG 240.A O no hydrogen 2.972 N/A ILE 245.A N VAL 241.A O no hydrogen 2.893 N/A GLN 246.A N ARG 242.A O no hydrogen 3.171 N/A SER 247.A N ALA 243.A O no hydrogen 2.956 N/A SER 247.A N TYR 244.A O no hydrogen 3.022 N/A SER 247.A OG TYR 244.A O no hydrogen 2.602 N/A LEU 248.A N ILE 245.A O no hydrogen 3.174 N/A ARG 251.A N THR 227.A OG1 no hydrogen 2.698 N/A VAL 254.A N VAL 224.A O no hydrogen 2.742 N/A GLU 257.A N GLU 257.A OE1 no hydrogen 2.801 N/A THR 258.A N PRO 255.A O no hydrogen 2.994 N/A THR 258.A OG1 PRO 255.A O no hydrogen 3.226 N/A TYR 260.A N TRP 256.A O no hydrogen 2.876 N/A ALA 263.A N TYR 260.A O no hydrogen 3.331 N/A ALA 267.A N ASP 264.A OD2 no hydrogen 3.189 N/A LEU 268.A N ASP 264.A O no hydrogen 3.125 N/A SER 269.A N ARG 265.A O no hydrogen 2.956 N/A SER 269.A OG HIS 291.A NE2 no hydrogen 2.951 N/A LEU 270.A N GLN 266.A O no hydrogen 3.310 N/A LEU 271.A N ALA 267.A O no hydrogen 2.913 N/A GLY 272.A N LEU 268.A O no hydrogen 3.003 N/A ARG 273.A N.A LEU 270.A O no hydrogen 2.998 N/A ARG 273.A N.B LEU 270.A O no hydrogen 3.003 N/A ARG 273.A NH2.A ALA 281.A O no hydrogen 2.903 N/A MET 274.A N LEU 271.A O no hydrogen 2.967 N/A LEU 275.A N LEU 271.A O no hydrogen 3.131 N/A ARG 276.A NH1.A GLY 272.A O no hydrogen 2.843 N/A GLU 278.A N GLU 278.A OE1 no hydrogen 2.766 N/A ALA 281.A N GLU 278.A O no hydrogen 3.009 N/A ARG 282.A N PRO 279.A O no hydrogen 3.158 N/A ARG 282.A NE ARG 276.A O.A no hydrogen 2.875 N/A ARG 282.A NE ARG 276.A O.B no hydrogen 2.888 N/A ARG 282.A NH1 GLU 178.A OE1 no hydrogen 2.712 N/A ARG 282.A NH1 ARG 276.A O.A no hydrogen 3.034 N/A ARG 282.A NH1 ARG 276.A O.B no hydrogen 3.019 N/A ARG 282.A NH2 GLU 178.A OE1 no hydrogen 3.192 N/A ARG 282.A NH2 GLU 178.A OE2 no hydrogen 2.864 N/A ARG 282.A NH2 ALA 189.A O no hydrogen 2.802 N/A ILE 283.A N ARG 273.A O.A no hydrogen 2.899 N/A ILE 283.A N ARG 273.A O.B no hydrogen 2.919 N/A ALA 287.A N SER 284.A OG no hydrogen 3.001 N/A ALA 288.A N SER 284.A O no hydrogen 2.945 N/A LEU 289.A N ALA 285.A O no hydrogen 3.134 N/A ARG 290.A N ALA 287.A O no hydrogen 2.942 N/A HIS 291.A N ALA 288.A O no hydrogen 3.014 N/A HIS 291.A NE2 SER 269.A OG no hydrogen 2.951 N/A PHE 293.A N HIS 291.A ND1 no hydrogen 2.997 N/A LEU 294.A N HIS 291.A O no hydrogen 2.925 N/A ALA 295.A N PRO 292.A O no hydrogen 3.315 N/A TYR 297.A N LEU 294.A O no hydrogen 3.062 N/A HIS 298.A N LEU 294.A O no hydrogen 2.974 N/A HIS 298.A ND1 GLU 303.A OE2 no hydrogen 2.835 N/A ASP 299.A N GLU 303.A OE2 no hydrogen 2.952 N/A ASP 301.A N ASP 299.A OD1 no hydrogen 2.967 N/A ASP 302.A N ASP 299.A O no hydrogen 2.852 N/A CYS 306.A N SER 122.A OG no hydrogen 2.816 N/A PHE 310.A N ALA 123.A O no hydrogen 2.742 N/A ALA 313.A N ASP 311.A OD1 no hydrogen 3.075 N/A ASP 315.A N PHE 312.A O no hydrogen 2.986 N/A ARG 316.A N ALA 313.A O no hydrogen 2.955 N/A GLU 317.A N PHE 314.A O no hydrogen 3.440 N/A ARG 321.A NE PHE 37.A O no hydrogen 3.562 N/A ARG 323.A N THR 320.A OG1 no hydrogen 3.325 N/A ILE 324.A N THR 320.A O no hydrogen 2.999 N/A LYS 325.A N ARG 321.A O no hydrogen 2.860 N/A LYS 325.A NZ TYR 74.A O no hydrogen 2.846 N/A LYS 325.A NZ PHE 77.A O no hydrogen 2.956 N/A GLU 326.A N GLU 322.A O no hydrogen 3.084 N/A ALA 327.A N ARG 323.A O no hydrogen 3.053 N/A ILE 328.A N ILE 324.A O no hydrogen 2.969 N/A VAL 329.A N LYS 325.A O no hydrogen 2.874 N/A ALA 330.A N GLU 326.A O no hydrogen 2.793 N/A GLU 331.A N ALA 327.A O no hydrogen 3.145 N/A ILE 332.A N ILE 328.A O no hydrogen 3.045 N/A GLU 333.A N VAL 329.A O no hydrogen 2.915 N/A ASP 334.A N ALA 330.A O no hydrogen 2.830 N/A PHE 335.A N GLU 331.A O no hydrogen 3.064 N/A HIS 336.A N ILE 332.A O no hydrogen 3.346 N/A HIS 336.A NE2 ILE 67.A O no hydrogen 2.666 N/A ALA 337.A N GLU 333.A O no hydrogen 2.873 N/A ARG 338.A N ASP 334.A O no hydrogen 3.045 N/A GLU 340.A N HIS 336.A O no hydrogen 2.870 N/A