Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pus_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A N SER 212.A O no hydrogen 2.764 N/A ASN 5.A ND2 ASP 168.A OD2 no hydrogen 2.881 N/A ASN 5.A ND2 HIS 211.A O no hydrogen 3.336 N/A ASN 5.A ND2 MET 214.A O no hydrogen 3.126 N/A SER 7.A N GLN 4.A O no hydrogen 3.238 N/A SER 7.A OG GLN 4.A O no hydrogen 2.807 N/A PHE 10.A N SER 7.A OG no hydrogen 3.210 N/A ILE 11.A N SER 7.A O no hydrogen 2.963 N/A LYS 12.A N GLN 8.A O no hydrogen 2.974 N/A GLU 13.A N LEU 9.A O no hydrogen 2.913 N/A LEU 14.A N PHE 10.A O no hydrogen 2.791 N/A ARG 15.A N ILE 11.A O no hydrogen 2.822 N/A SER 16.A N GLU 13.A O no hydrogen 2.902 N/A SER 16.A OG GLU 13.A O no hydrogen 2.809 N/A ARG 17.A N LEU 14.A O no hydrogen 3.213 N/A ARG 17.A NH2 ASP 218.A OD1 no hydrogen 2.572 N/A ALA 22.A N LYS 225.A O no hydrogen 3.318 N/A GLU 23.A N SER 21.A OG no hydrogen 3.005 N/A VAL 25.A N ALA 22.A O no hydrogen 3.040 N/A VAL 26.A N ALA 22.A O no hydrogen 2.758 N/A ALA 27.A N PRO 47.A O no hydrogen 3.308 N/A VAL 29.A N LEU 49.A O no hydrogen 2.974 N/A GLN 33.A N PRO 30.A O no hydrogen 2.990 N/A LEU 34.A N GLY 31.A O no hydrogen 3.111 N/A TYR 38.A N THR 35.A OG1 no hydrogen 3.006 N/A MET 39.A N THR 35.A O no hydrogen 2.966 N/A GLU 40.A N LEU 36.A O no hydrogen 2.762 N/A GLU 41.A N GLY 37.A O no hydrogen 2.832 N/A HIS 42.A N TYR 38.A O no hydrogen 2.924 N/A HIS 42.A ND1 TYR 38.A O no hydrogen 3.110 N/A GLY 43.A N MET 39.A O no hydrogen 2.610 N/A ILE 48.A N PHE 235.A O no hydrogen 2.995 N/A LEU 49.A N ALA 27.A O no hydrogen 2.750 N/A VAL 50.A N THR 233.A O no hydrogen 2.838 N/A LYS 53.A NZ LEU 58.A O no hydrogen 3.034 N/A LEU 56.A N LYS 53.A O no hydrogen 2.955 N/A ALA 59.A N GLU 128.A O no hydrogen 3.002 N/A TYR 66.A N ASP 69.A OD2 no hydrogen 2.742 N/A SER 68.A N TYR 103.A OH no hydrogen 2.995 N/A ASP 69.A N TYR 66.A O no hydrogen 2.855 N/A VAL 70.A N TYR 66.A O no hydrogen 3.154 N/A GLU 71.A N VAL 67.A O no hydrogen 3.018 N/A ASN 72.A N SER 68.A O no hydrogen 3.297 N/A TYR 73.A N ASP 69.A O no hydrogen 2.965 N/A VAL 74.A N VAL 70.A O no hydrogen 2.964 N/A GLY 75.A N GLU 71.A O no hydrogen 2.995 N/A ARG 78.A N GLY 75.A O no hydrogen 2.985 N/A ARG 78.A NH1 ASP 120.A OD1 no hydrogen 2.971 N/A ARG 78.A NH2 GLU 117.A O no hydrogen 2.529 N/A VAL 80.A N MET 93.A O no hydrogen 2.877 N/A VAL 82.A N CYS 91.A O no hydrogen 2.698 N/A THR 83.A N ASN 112.A O no hydrogen 2.786 N/A THR 83.A OG1 ASP 90.A OD1 no hydrogen 2.797 N/A ASP 84.A N LYS 89.A O no hydrogen 2.816 N/A VAL 85.A N VAL 110.A O no hydrogen 2.867 N/A THR 86.A OG1 ASP 84.A OD1 no hydrogen 2.643 N/A LYS 87.A N ASP 84.A OD1 no hydrogen 3.414 N/A GLN 88.A N VAL 85.A O no hydrogen 2.942 N/A GLN 88.A NE2 VAL 85.A O no hydrogen 2.868 N/A LYS 89.A N ASP 84.A O no hydrogen 3.269 N/A CYS 91.A N VAL 82.A O no hydrogen 2.909 N/A CYS 91.A SG VAL 82.A O no hydrogen 3.661 N/A MET 93.A N VAL 80.A O no hydrogen 3.052 N/A LYS 94.A NZ GLU 77.A OE1 no hydrogen 3.099 N/A LEU 95.A N ARG 78.A O no hydrogen 2.739 N/A LYS 96.A N PRO 76.A O no hydrogen 2.846 N/A GLU 97.A N LYS 94.A O no hydrogen 2.893 N/A PHE 98.A N LYS 94.A O no hydrogen 3.304 N/A VAL 99.A N LEU 95.A O no hydrogen 2.803 N/A ASP 100.A N LYS 96.A O no hydrogen 2.997 N/A TYR 101.A N GLU 97.A O no hydrogen 3.041 N/A TYR 101.A OH ARG 109.A O no hydrogen 2.720 N/A TYR 102.A N PHE 98.A O no hydrogen 2.730 N/A TYR 103.A N VAL 99.A O no hydrogen 3.175 N/A SER 104.A N TYR 101.A O no hydrogen 3.109 N/A SER 104.A OG TYR 101.A O no hydrogen 2.789 N/A ARG 107.A NE TYR 102.A O no hydrogen 3.092 N/A ARG 107.A NH1 ASP 249.A OD1 no hydrogen 3.071 N/A ARG 107.A NH2 TYR 102.A O no hydrogen 2.924 N/A ARG 107.A NH2 ASP 249.A OD1 no hydrogen 3.459 N/A ARG 107.A NH2 ASP 249.A OD2 no hydrogen 2.791 N/A LEU 111.A N TYR 101.A OH no hydrogen 2.925 N/A ASN 112.A N THR 83.A O no hydrogen 2.942 N/A ASN 112.A ND2 SER 165.A OG no hydrogen 2.797 N/A VAL 113.A N ILE 160.A O no hydrogen 2.898 N/A ASN 115.A ND2 ASP 81.A OD2 no hydrogen 3.057 N/A ASN 115.A ND2 LEU 281.A O no hydrogen 3.191 N/A PHE 118.A N LYS 156.A O no hydrogen 2.996 N/A SER 119.A N GLU 117.A OE1 no hydrogen 2.921 N/A SER 119.A OG GLU 117.A OE1 no hydrogen 2.767 N/A SER 119.A OG GLU 117.A OE2 no hydrogen 3.177 N/A THR 121.A N PHE 118.A O no hydrogen 3.131 N/A THR 121.A OG1 PHE 118.A O no hydrogen 2.740 N/A MET 123.A N THR 121.A OG1 no hydrogen 3.117 N/A SER 124.A N THR 121.A O no hydrogen 3.094 N/A SER 124.A OG SER 119.A O no hydrogen 3.418 N/A SER 125.A N ARG 122.A O no hydrogen 3.369 N/A SER 125.A OG ARG 122.A O no hydrogen 2.995 N/A PHE 126.A N MET 123.A O no hydrogen 2.904 N/A VAL 127.A N SER 124.A O no hydrogen 3.234 N/A GLU 128.A N ALA 59.A O no hydrogen 2.781 N/A ASP 131.A N LEU 56.A O no hydrogen 2.800 N/A VAL 133.A N PRO 130.A O no hydrogen 3.147 N/A LYS 134.A N PRO 130.A O no hydrogen 3.349 N/A LYS 134.A NZ ASP 131.A OD1 no hydrogen 3.000 N/A LYS 135.A N ASP 131.A O no hydrogen 2.989 N/A LEU 136.A N ILE 132.A O no hydrogen 2.913 N/A SER 137.A N VAL 133.A O no hydrogen 2.888 N/A TRP 138.A N LEU 258.A O no hydrogen 2.948 N/A TRP 138.A NE1 SER 260.A OG no hydrogen 2.917 N/A GLU 140.A N SER 137.A OG no hydrogen 3.037 N/A ASN 141.A N SER 137.A O no hydrogen 3.161 N/A ASN 141.A ND2 LYS 134.A O no hydrogen 3.036 N/A ASN 141.A ND2 LYS 135.A O no hydrogen 3.175 N/A ASN 141.A ND2 SER 137.A O no hydrogen 2.813 N/A TYR 142.A N TRP 138.A O no hydrogen 2.809 N/A TRP 143.A N VAL 139.A O no hydrogen 3.110 N/A ALA 147.A N PRO 144.A O no hydrogen 3.154 N/A LEU 148.A N GLU 345.A OE2 no hydrogen 3.092 N/A LYS 153.A NZ GLU 117.A O no hydrogen 3.074 N/A LYS 153.A NZ GLU 117.A OE1 no hydrogen 2.803 N/A LYS 153.A NZ ASP 120.A OD1 no hydrogen 3.137 N/A LYS 156.A N GLU 117.A OE2 no hydrogen 2.938 N/A LYS 156.A NZ SER 124.A O no hydrogen 3.015 N/A LYS 156.A NZ SER 124.A OG no hydrogen 3.106 N/A LYS 156.A NZ VAL 127.A O no hydrogen 2.874 N/A TYR 157.A N ALA 254.A O no hydrogen 2.829 N/A CYS 158.A N LEU 116.A O no hydrogen 2.887 N/A LEU 159.A N ALA 252.A O no hydrogen 2.751 N/A ILE 160.A N VAL 113.A O no hydrogen 2.800 N/A CYS 161.A N CYS 250.A O no hydrogen 3.014 N/A VAL 162.A N ASN 112.A OD1 no hydrogen 3.346 N/A LYS 163.A N ASP 249.A OD1 no hydrogen 2.951 N/A LYS 163.A NZ ASP 164.A OD2 no hydrogen 3.069 N/A ASP 164.A N THR 246.A O no hydrogen 2.597 N/A SER 165.A N VAL 162.A O no hydrogen 3.056 N/A SER 165.A OG VAL 162.A O no hydrogen 3.073 N/A SER 165.A OG THR 246.A OG1 no hydrogen 2.652 N/A TYR 166.A OH ASP 168.A OD1 no hydrogen 2.741 N/A THR 167.A N THR 244.A O no hydrogen 2.868 N/A PHE 169.A N ASP 168.A OD1 no hydrogen 2.781 N/A HIS 170.A N TYR 242.A O no hydrogen 2.940 N/A HIS 170.A ND1 ASP 168.A O no hydrogen 2.771 N/A ILE 171.A N TYR 202.A OH no hydrogen 3.253 N/A SER 173.A OG GLU 273.A OE1 no hydrogen 3.439 N/A SER 173.A OG GLU 273.A OE2 no hydrogen 2.679 N/A GLY 174.A N GLU 273.A OE1 no hydrogen 2.512 N/A GLY 175.A N ASP 172.A O no hydrogen 3.068 N/A ALA 176.A N SER 173.A O no hydrogen 3.175 N/A SER 177.A N PHE 257.A O no hydrogen 2.795 N/A SER 177.A OG HIS 259.A NE2 no hydrogen 2.797 N/A ALA 178.A N ILE 236.A O no hydrogen 2.860 N/A TRP 179.A N GLY 255.A O no hydrogen 3.133 N/A TYR 180.A N LEU 234.A O no hydrogen 2.761 N/A HIS 181.A N PHE 253.A O no hydrogen 2.742 N/A VAL 182.A N GLN 232.A O no hydrogen 3.171 N/A LEU 183.A N LEU 251.A O no hydrogen 2.927 N/A LYS 184.A N LEU 251.A O no hydrogen 3.167 N/A LYS 184.A NZ PRO 63.A O no hydrogen 2.847 N/A GLY 185.A N GLN 230.A OE1 no hydrogen 3.169 N/A LYS 187.A N VAL 228.A O no hydrogen 2.995 N/A LYS 187.A NZ THR 246.A OG1 no hydrogen 2.759 N/A THR 188.A N LEU 245.A O no hydrogen 2.953 N/A PHE 189.A N CYS 226.A O no hydrogen 2.756 N/A TYR 190.A N ALA 243.A O no hydrogen 2.867 N/A LEU 191.A N TYR 224.A O no hydrogen 2.758 N/A ILE 192.A N ILE 241.A O no hydrogen 2.681 N/A ARG 193.A NH1.A GLU 46.A OE2 no hydrogen 3.368 N/A ARG 193.A NH2.A GLU 46.A OE2 no hydrogen 3.564 N/A ASN 198.A ND2 ARG 193.A O no hydrogen 2.911 N/A ILE 199.A N ALA 195.A O no hydrogen 3.039 N/A SER 200.A N SER 196.A O no hydrogen 3.064 N/A SER 200.A OG SER 196.A O no hydrogen 3.339 N/A LEU 201.A N ALA 197.A O no hydrogen 2.784 N/A TYR 202.A N ASN 198.A O no hydrogen 2.809 N/A GLU 203.A N ILE 199.A O no hydrogen 2.972 N/A ARG 204.A N SER 200.A O no hydrogen 3.214 N/A TRP 205.A N LEU 201.A O no hydrogen 2.838 N/A TRP 205.A NE1 MET 214.A O no hydrogen 3.113 N/A ARG 206.A N TYR 202.A O no hydrogen 2.749 N/A ARG 206.A NH1 ARG 206.A O no hydrogen 2.847 N/A SER 207.A N GLU 203.A O no hydrogen 3.292 N/A SER 207.A OG GLU 203.A O no hydrogen 3.079 N/A SER 207.A OG ARG 204.A O no hydrogen 3.509 N/A ALA 208.A N TRP 205.A O no hydrogen 3.060 N/A HIS 211.A N ALA 208.A O no hydrogen 3.040 N/A GLU 213.A N ASN 210.A O no hydrogen 3.065 N/A MET 214.A N HIS 211.A O no hydrogen 3.050 N/A ASP 218.A N PHE 215.A O no hydrogen 3.279 N/A GLN 219.A N PHE 216.A O no hydrogen 2.875 N/A VAL 220.A N ALA 217.A O no hydrogen 3.272 N/A TYR 224.A N LEU 191.A O no hydrogen 2.908 N/A LYS 225.A N PRO 20.A O no hydrogen 2.992 N/A CYS 226.A N PHE 189.A O no hydrogen 2.776 N/A VAL 228.A N LYS 187.A O no hydrogen 2.763 N/A LYS 229.A N GLN 232.A OE1 no hydrogen 2.817 N/A GLY 231.A N VAL 182.A O no hydrogen 2.664 N/A GLN 232.A N LYS 229.A O no hydrogen 3.005 N/A THR 233.A N VAL 50.A O no hydrogen 2.859 N/A LEU 234.A N TYR 180.A O no hydrogen 2.712 N/A PHE 235.A N ILE 48.A O no hydrogen 2.763 N/A ILE 236.A N ALA 178.A O no hydrogen 2.845 N/A SER 238.A OG GLY 175.A O no hydrogen 2.731 N/A ILE 241.A N ILE 192.A O no hydrogen 3.015 N/A TYR 242.A N HIS 170.A O no hydrogen 3.033 N/A TYR 242.A OH ASP 172.A OD1 no hydrogen 3.187 N/A TYR 242.A OH ASP 172.A OD2 no hydrogen 2.506 N/A ALA 243.A N TYR 190.A O no hydrogen 3.057 N/A THR 244.A N THR 167.A O no hydrogen 2.834 N/A LEU 245.A N THR 188.A O no hydrogen 2.882 N/A THR 246.A N SER 165.A O no hydrogen 2.868 N/A THR 246.A OG1 SER 165.A OG no hydrogen 2.652 N/A CYS 250.A N CYS 161.A O no hydrogen 2.775 N/A CYS 250.A SG LYS 184.A O no hydrogen 3.679 N/A CYS 250.A SG GLU 186.A O no hydrogen 3.872 N/A LEU 251.A N LYS 184.A O no hydrogen 2.969 N/A ALA 252.A N LEU 159.A O no hydrogen 2.975 N/A PHE 253.A N HIS 181.A O no hydrogen 2.907 N/A ALA 254.A N TYR 157.A O no hydrogen 3.083 N/A GLY 255.A N TRP 179.A O no hydrogen 3.124 N/A HIS 256.A N VAL 154.A O no hydrogen 3.003 N/A PHE 257.A N SER 177.A O no hydrogen 2.924 N/A HIS 259.A N GLN 266.A OE1 no hydrogen 2.807 N/A HIS 259.A NE2 SER 177.A OG no hydrogen 2.797 N/A LEU 261.A N HIS 259.A ND1 no hydrogen 3.160 N/A GLN 266.A N SER 262.A O no hydrogen 2.863 N/A GLN 266.A NE2 HIS 259.A O no hydrogen 3.449 N/A MET 267.A N VAL 263.A O no hydrogen 3.104 N/A ARG 268.A N GLU 264.A O no hydrogen 2.923 N/A ARG 268.A NH1 SER 196.A OG no hydrogen 3.142 N/A ARG 268.A NH2 SER 196.A OG no hydrogen 3.002 N/A ALA 269.A N MET 265.A O no hydrogen 2.830 N/A TYR 270.A N GLN 266.A O no hydrogen 2.948 N/A TYR 270.A OH GLU 288.A OE2 no hydrogen 2.588 N/A GLU 271.A N MET 267.A O no hydrogen 2.912 N/A VAL 272.A N ARG 268.A O no hydrogen 2.887 N/A GLU 273.A N ALA 269.A O no hydrogen 2.890 N/A ARG 274.A N TYR 270.A O no hydrogen 2.870 N/A ARG 275.A N GLU 271.A O no hydrogen 3.239 N/A ARG 275.A NE GLU 203.A OE2 no hydrogen 2.900 N/A ARG 275.A NH2 GLU 203.A OE1 no hydrogen 2.847 N/A LEU 276.A N VAL 272.A O no hydrogen 3.089 N/A LYS 277.A N GLU 273.A O no hydrogen 3.247 N/A LYS 277.A N ARG 274.A O no hydrogen 3.248 N/A GLN 283.A N SER 280.A O no hydrogen 3.162 N/A GLU 288.A N GLU 342.A OE1 no hydrogen 2.991 N/A THR 289.A OG1 ASN 286.A OD1 no hydrogen 2.854 N/A THR 289.A OG1 GLU 342.A O no hydrogen 2.594 N/A ALA 290.A N ASN 286.A O no hydrogen 3.074 N/A CYS 291.A N PHE 287.A O no hydrogen 3.097 N/A CYS 291.A SG PHE 287.A O no hydrogen 3.561 N/A TRP 292.A N GLU 288.A O no hydrogen 2.865 N/A TYR 293.A N THR 289.A O no hydrogen 2.974 N/A MET 294.A N ALA 290.A O no hydrogen 2.920 N/A GLY 295.A N CYS 291.A O no hydrogen 2.803 N/A LYS 296.A N TRP 292.A O no hydrogen 3.150 N/A HIS 297.A N TYR 293.A O no hydrogen 2.998 N/A LEU 298.A N MET 294.A O no hydrogen 2.841 N/A LEU 299.A N GLY 295.A O no hydrogen 3.046 N/A GLU 300.A N LYS 296.A O no hydrogen 3.098 N/A ALA 301.A N HIS 297.A O no hydrogen 2.762 N/A PHE 302.A N LEU 298.A O no hydrogen 2.812 N/A LYS 303.A N LEU 299.A O no hydrogen 2.981 N/A GLY 304.A N GLU 300.A O no hydrogen 2.971 N/A SER 305.A N PHE 302.A O no hydrogen 2.869 N/A SER 305.A OG PHE 302.A O no hydrogen 2.782 N/A HIS 306.A N LYS 303.A O no hydrogen 3.341 N/A GLN 311.A NE2 SER 363.A OG no hydrogen 2.840 N/A LEU 316.A N PRO 313.A O no hydrogen 3.167 N/A VAL 317.A N PRO 313.A O no hydrogen 3.352 N/A GLN 318.A N PRO 314.A O no hydrogen 2.962 N/A GLY 319.A N HIS 315.A O no hydrogen 2.845 N/A ALA 320.A N LEU 316.A O no hydrogen 2.735 N/A LYS 321.A N VAL 317.A O no hydrogen 3.028 N/A LYS 321.A NZ GLU 364.A OE2 no hydrogen 3.270 N/A ILE 322.A N GLN 318.A O no hydrogen 2.987 N/A LEU 323.A N GLY 319.A O no hydrogen 2.879 N/A ASN 324.A N ALA 320.A O no hydrogen 2.777 N/A ASN 324.A ND2 ILE 353.A O no hydrogen 3.259 N/A GLY 325.A N LYS 321.A O no hydrogen 3.044 N/A ALA 326.A N ILE 322.A O no hydrogen 3.075 N/A PHE 327.A N LEU 323.A O no hydrogen 2.797 N/A ARG 328.A N ASN 324.A O no hydrogen 2.952 N/A SER 329.A N GLY 325.A O no hydrogen 2.943 N/A TRP 330.A N ALA 326.A O no hydrogen 2.743 N/A TRP 330.A N PHE 327.A O no hydrogen 3.158 N/A THR 331.A N PHE 327.A O no hydrogen 2.999 N/A THR 331.A N ARG 328.A O no hydrogen 3.246 N/A THR 331.A OG1.A PHE 327.A O no hydrogen 2.792 N/A THR 331.A OG1.B PHE 327.A O no hydrogen 2.904 N/A LEU 336.A N LYS 332.A O no hydrogen 2.713 N/A GLU 338.A N ALA 335.A O no hydrogen 2.858 N/A HIS 339.A N ALA 335.A O no hydrogen 3.364 N/A HIS 339.A ND1 GLU 288.A OE1 no hydrogen 2.771 N/A HIS 339.A ND1 GLU 288.A OE2 no hydrogen 2.832 N/A GLU 340.A N LEU 336.A O no hydrogen 2.883 N/A GLU 342.A N HIS 339.A O no hydrogen 3.109 N/A LEU 343.A N GLU 340.A O no hydrogen 2.998 N/A GLU 345.A N GLU 345.A OE1 no hydrogen 2.697 N/A PHE 347.A N PRO 344.A O no hydrogen 3.276 N/A LEU 352.A N LYS 348.A O no hydrogen 3.027 N/A ILE 353.A N PRO 349.A O no hydrogen 2.868 N/A LYS 354.A N SER 350.A O no hydrogen 3.011 N/A ASP 355.A N GLN 351.A O no hydrogen 2.785 N/A LEU 356.A N LEU 352.A O no hydrogen 2.857 N/A ALA 357.A N ILE 353.A O no hydrogen 2.823 N/A LYS 358.A N LYS 354.A O no hydrogen 3.023 N/A GLU 359.A N ASP 355.A O no hydrogen 3.077 N/A ILE 360.A N LEU 356.A O no hydrogen 2.769 N/A ARG 361.A N ALA 357.A O no hydrogen 3.055 N/A LEU 362.A N LYS 358.A O no hydrogen 3.119 N/A SER 363.A N GLU 359.A O no hydrogen 3.301 N/A GLU 364.A N ILE 360.A O no hydrogen 2.901 N/A