Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pu3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A NE2 LYS 87.A O no hydrogen 3.580 N/A ASN 5.A N SER 212.A O no hydrogen 2.781 N/A ASN 5.A ND2 ASP 168.A OD2 no hydrogen 2.891 N/A ASN 5.A ND2 MET 214.A O no hydrogen 3.060 N/A SER 7.A N GLN 4.A O no hydrogen 3.023 N/A SER 7.A OG GLN 4.A O no hydrogen 2.963 N/A PHE 10.A N SER 7.A OG no hydrogen 3.066 N/A ILE 11.A N SER 7.A O no hydrogen 2.869 N/A LYS 12.A N GLN 8.A O no hydrogen 2.869 N/A GLU 13.A N LEU 9.A O no hydrogen 2.864 N/A LEU 14.A N PHE 10.A O no hydrogen 2.671 N/A ARG 15.A N ILE 11.A O no hydrogen 2.826 N/A ARG 15.A NE ASP 164.A OD1 no hydrogen 3.311 N/A ARG 15.A NH2 ASP 164.A OD1 no hydrogen 2.918 N/A ARG 15.A NH2 PRO 247.A O no hydrogen 3.178 N/A SER 16.A N GLU 13.A O no hydrogen 3.160 N/A SER 16.A OG GLU 13.A O no hydrogen 2.987 N/A ARG 17.A N GLU 13.A O no hydrogen 3.196 N/A ARG 17.A N LEU 14.A O no hydrogen 3.399 N/A ARG 17.A NH2 ASP 218.A OD1 no hydrogen 3.138 N/A ALA 22.A N LYS 225.A O no hydrogen 3.158 N/A GLU 23.A N SER 21.A OG no hydrogen 2.859 N/A ASP 24.A N SER 21.A O no hydrogen 3.359 N/A VAL 25.A N ALA 22.A O no hydrogen 3.110 N/A VAL 26.A N ALA 22.A O no hydrogen 2.821 N/A ALA 27.A N PRO 47.A O no hydrogen 3.262 N/A VAL 29.A N LEU 49.A O no hydrogen 3.074 N/A GLN 33.A N PRO 30.A O no hydrogen 2.963 N/A GLN 33.A NE2 SER 32.A OG no hydrogen 2.702 N/A THR 35.A N GLN 33.A O no hydrogen 2.622 N/A TYR 38.A N THR 35.A OG1 no hydrogen 2.957 N/A MET 39.A N THR 35.A O no hydrogen 2.935 N/A GLU 40.A N LEU 36.A O no hydrogen 2.864 N/A GLU 41.A N GLY 37.A O no hydrogen 2.769 N/A HIS 42.A N TYR 38.A O no hydrogen 2.869 N/A HIS 42.A ND1 TYR 38.A O no hydrogen 3.281 N/A GLY 43.A N MET 39.A O no hydrogen 2.551 N/A ILE 48.A N PHE 235.A O no hydrogen 3.007 N/A LEU 49.A N ALA 27.A O no hydrogen 2.810 N/A VAL 50.A N THR 233.A O no hydrogen 2.686 N/A LEU 56.A N LYS 53.A O no hydrogen 3.053 N/A ALA 59.A N GLU 128.A O no hydrogen 2.953 N/A PHE 65.A N ALA 62.A O no hydrogen 2.713 N/A TYR 66.A N ASP 69.A OD2 no hydrogen 2.989 N/A SER 68.A N TYR 103.A OH no hydrogen 3.061 N/A ASP 69.A N TYR 66.A O no hydrogen 2.939 N/A VAL 70.A N TYR 66.A O no hydrogen 3.246 N/A GLU 71.A N VAL 67.A O no hydrogen 3.065 N/A ASN 72.A N.A SER 68.A O no hydrogen 3.062 N/A ASN 72.A N.B SER 68.A O no hydrogen 3.054 N/A TYR 73.A N ASP 69.A O no hydrogen 2.766 N/A VAL 74.A N VAL 70.A O no hydrogen 2.734 N/A GLY 75.A N GLU 71.A O no hydrogen 2.922 N/A ARG 78.A N GLY 75.A O no hydrogen 3.078 N/A ARG 78.A NH1 ASP 120.A OD1 no hydrogen 3.428 N/A ARG 78.A NH2 GLU 117.A O no hydrogen 2.816 N/A VAL 80.A N MET 93.A O no hydrogen 2.795 N/A VAL 82.A N CYS 91.A O no hydrogen 2.740 N/A THR 83.A N ASN 112.A O no hydrogen 3.010 N/A THR 83.A OG1 ASP 90.A OD1 no hydrogen 2.777 N/A ASP 84.A N LYS 89.A O no hydrogen 3.060 N/A VAL 85.A N VAL 110.A O no hydrogen 2.871 N/A THR 86.A OG1 ASP 84.A OD1 no hydrogen 3.115 N/A LYS 87.A N ASP 84.A OD1 no hydrogen 3.077 N/A GLN 88.A N ASP 84.A O no hydrogen 2.856 N/A GLN 88.A N VAL 85.A O no hydrogen 3.283 N/A GLN 88.A NE2 VAL 85.A O no hydrogen 2.512 N/A CYS 91.A N VAL 82.A O no hydrogen 2.944 N/A CYS 91.A SG VAL 82.A O no hydrogen 3.663 N/A MET 93.A N VAL 80.A O no hydrogen 3.013 N/A LYS 94.A NZ GLU 77.A OE1 no hydrogen 2.637 N/A LEU 95.A N ARG 78.A O no hydrogen 2.939 N/A LYS 96.A N PRO 76.A O no hydrogen 2.854 N/A LYS 96.A NZ GLU 77.A OE2 no hydrogen 2.612 N/A PHE 98.A N LYS 94.A O no hydrogen 3.103 N/A VAL 99.A N LEU 95.A O no hydrogen 2.793 N/A ASP 100.A N LYS 96.A O no hydrogen 2.853 N/A TYR 101.A N GLU 97.A O no hydrogen 3.014 N/A TYR 101.A OH ARG 109.A O no hydrogen 2.423 N/A TYR 102.A N PHE 98.A O no hydrogen 2.706 N/A TYR 103.A N VAL 99.A O no hydrogen 2.978 N/A SER 104.A N TYR 101.A O no hydrogen 2.899 N/A SER 104.A OG TYR 101.A O no hydrogen 2.477 N/A ARG 107.A NE TYR 102.A O no hydrogen 3.237 N/A ARG 107.A NH1 ASP 249.A OD1 no hydrogen 2.936 N/A ARG 107.A NH1 ASP 249.A OD2 no hydrogen 3.056 N/A ARG 107.A NH2 TYR 102.A O no hydrogen 2.795 N/A ARG 107.A NH2 ASP 249.A OD2 no hydrogen 2.623 N/A LEU 111.A N TYR 101.A OH no hydrogen 2.773 N/A ASN 112.A N THR 83.A O no hydrogen 3.100 N/A ASN 112.A ND2 SER 165.A OG no hydrogen 2.535 N/A VAL 113.A N ILE 160.A O no hydrogen 2.913 N/A ASN 115.A ND2 ASP 81.A OD2 no hydrogen 2.795 N/A ASN 115.A ND2 LEU 281.A O no hydrogen 3.642 N/A PHE 118.A N LYS 156.A O no hydrogen 2.876 N/A SER 119.A N GLU 117.A OE1 no hydrogen 2.838 N/A SER 119.A OG.A GLU 117.A OE1 no hydrogen 2.802 N/A SER 119.A OG.A GLU 117.A OE2 no hydrogen 3.551 N/A SER 119.A OG.B GLU 117.A OE1 no hydrogen 3.188 N/A SER 119.A OG.B GLU 117.A OE2 no hydrogen 2.754 N/A SER 119.A OG.B THR 155.A OG1 no hydrogen 2.787 N/A ASP 120.A N ASP 120.A OD1 no hydrogen 2.452 N/A THR 121.A N PHE 118.A O no hydrogen 3.307 N/A THR 121.A OG1 PHE 118.A O no hydrogen 2.932 N/A ARG 122.A NH1 TYR 73.A O no hydrogen 3.010 N/A MET 123.A N THR 121.A OG1 no hydrogen 3.106 N/A SER 124.A N THR 121.A O no hydrogen 3.018 N/A SER 124.A OG SER 119.A O no hydrogen 3.455 N/A SER 125.A OG ARG 122.A O no hydrogen 3.440 N/A PHE 126.A N MET 123.A O no hydrogen 3.009 N/A VAL 127.A N SER 124.A O no hydrogen 3.085 N/A GLU 128.A N ALA 59.A O no hydrogen 2.948 N/A ASP 131.A N LEU 56.A O no hydrogen 2.917 N/A VAL 133.A N PRO 130.A O no hydrogen 3.007 N/A LYS 134.A N PRO 130.A O no hydrogen 3.334 N/A LYS 134.A NZ GLU 128.A OE1 no hydrogen 3.248 N/A LYS 135.A N ASP 131.A O no hydrogen 2.916 N/A LEU 136.A N ILE 132.A O no hydrogen 3.002 N/A LEU 136.A N VAL 133.A O no hydrogen 3.182 N/A SER 137.A N VAL 133.A O no hydrogen 2.898 N/A TRP 138.A N LEU 258.A O no hydrogen 2.834 N/A TRP 138.A NE1 SER 260.A OG no hydrogen 2.865 N/A GLU 140.A N SER 137.A OG no hydrogen 3.168 N/A ASN 141.A N SER 137.A O no hydrogen 3.138 N/A ASN 141.A ND2 LYS 135.A O no hydrogen 2.908 N/A TYR 142.A N TRP 138.A O no hydrogen 2.718 N/A TRP 143.A N VAL 139.A O no hydrogen 3.007 N/A TRP 143.A NE1 LEU 149.A O no hydrogen 3.145 N/A ALA 147.A N PRO 144.A O no hydrogen 3.156 N/A LEU 148.A N GLU 343.A OE2 no hydrogen 2.912 N/A LYS 151.A NZ ASP 145.A OD1 no hydrogen 3.367 N/A LYS 153.A NZ GLU 117.A OE1 no hydrogen 2.972 N/A LYS 153.A NZ ASP 120.A OD1 no hydrogen 2.868 N/A VAL 154.A N PRO 152.A O no hydrogen 3.090 N/A THR 155.A N GLU 117.A OE2 no hydrogen 2.891 N/A THR 155.A OG1 GLU 117.A OE2 no hydrogen 3.127 N/A LYS 156.A N GLU 117.A OE2 no hydrogen 2.896 N/A LYS 156.A NZ SER 124.A O no hydrogen 2.728 N/A LYS 156.A NZ SER 124.A OG no hydrogen 2.712 N/A LYS 156.A NZ VAL 127.A O no hydrogen 2.913 N/A TYR 157.A N ALA 254.A O no hydrogen 2.587 N/A CYS 158.A N LEU 116.A O no hydrogen 2.862 N/A LEU 159.A N ALA 252.A O no hydrogen 2.643 N/A ILE 160.A N VAL 113.A O no hydrogen 2.790 N/A CYS 161.A N CYS 250.A O no hydrogen 3.004 N/A VAL 162.A N ASN 112.A OD1 no hydrogen 3.225 N/A LYS 163.A N ASP 249.A OD1 no hydrogen 2.804 N/A LYS 163.A NZ ASP 164.A OD2 no hydrogen 3.542 N/A ASP 164.A N THR 246.A O no hydrogen 2.631 N/A SER 165.A OG VAL 162.A O no hydrogen 3.233 N/A SER 165.A OG THR 246.A OG1 no hydrogen 2.872 N/A TYR 166.A OH ASP 168.A OD1 no hydrogen 2.692 N/A THR 167.A N THR 244.A O no hydrogen 2.807 N/A PHE 169.A N ASP 168.A OD1 no hydrogen 2.766 N/A HIS 170.A N TYR 242.A O no hydrogen 3.010 N/A HIS 170.A ND1 ASP 168.A O no hydrogen 3.174 N/A ILE 171.A N TYR 202.A OH no hydrogen 3.224 N/A SER 173.A OG GLU 273.A OE2 no hydrogen 2.607 N/A SER 173.A OG GLN 283.A OE1 no hydrogen 3.119 N/A GLY 174.A N GLU 273.A OE1 no hydrogen 2.775 N/A GLY 175.A N ASP 172.A O no hydrogen 3.103 N/A ALA 176.A N SER 173.A O no hydrogen 3.352 N/A SER 177.A N PHE 257.A O no hydrogen 2.813 N/A SER 177.A OG HIS 259.A NE2 no hydrogen 3.062 N/A ALA 178.A N ILE 236.A O no hydrogen 2.945 N/A TRP 179.A N GLY 255.A O no hydrogen 3.246 N/A TYR 180.A N LEU 234.A O no hydrogen 2.805 N/A TYR 180.A OH TYR 242.A OH no hydrogen 2.642 N/A HIS 181.A N PHE 253.A O no hydrogen 2.774 N/A HIS 181.A ND1 THR 233.A OG1 no hydrogen 2.768 N/A VAL 182.A N GLN 232.A O no hydrogen 3.054 N/A LEU 183.A N LEU 251.A O no hydrogen 2.882 N/A LYS 184.A N LEU 251.A O no hydrogen 3.242 N/A GLY 185.A N GLN 230.A OE1 no hydrogen 3.301 N/A LYS 187.A N VAL 228.A O no hydrogen 3.034 N/A THR 188.A N LEU 245.A O no hydrogen 2.866 N/A PHE 189.A N CYS 226.A O no hydrogen 2.764 N/A TYR 190.A N ALA 243.A O no hydrogen 2.885 N/A LEU 191.A N TYR 224.A O no hydrogen 2.663 N/A ILE 192.A N ILE 241.A O no hydrogen 2.877 N/A ARG 193.A NH2.A GLU 46.A OE2 no hydrogen 2.985 N/A ALA 195.A N ARG 193.A O no hydrogen 2.885 N/A ASN 198.A ND2 ARG 193.A O no hydrogen 3.108 N/A ILE 199.A N ALA 195.A O no hydrogen 3.072 N/A SER 200.A N SER 196.A O no hydrogen 3.116 N/A SER 200.A OG SER 196.A O no hydrogen 3.319 N/A LEU 201.A N ALA 197.A O no hydrogen 2.751 N/A TYR 202.A N ASN 198.A O no hydrogen 2.817 N/A GLU 203.A N ILE 199.A O no hydrogen 2.979 N/A ARG 204.A N SER 200.A O no hydrogen 3.244 N/A TRP 205.A N LEU 201.A O no hydrogen 2.927 N/A TRP 205.A NE1 HIS 211.A O no hydrogen 3.162 N/A TRP 205.A NE1 MET 214.A O no hydrogen 3.160 N/A ARG 206.A N TYR 202.A O no hydrogen 2.787 N/A ARG 206.A NH1 ARG 206.A O no hydrogen 2.624 N/A SER 207.A N GLU 203.A O no hydrogen 2.967 N/A SER 207.A OG GLU 203.A O no hydrogen 3.035 N/A SER 207.A OG ARG 204.A O no hydrogen 3.230 N/A ALA 208.A N TRP 205.A O no hydrogen 3.031 N/A GLU 213.A N ASN 210.A O no hydrogen 3.310 N/A MET 214.A N HIS 211.A O no hydrogen 2.868 N/A ASP 218.A N PHE 215.A O no hydrogen 3.162 N/A GLN 219.A N PHE 216.A O no hydrogen 2.736 N/A VAL 220.A N ALA 217.A O no hydrogen 3.502 N/A TYR 224.A N LEU 191.A O no hydrogen 2.781 N/A LYS 225.A N PRO 20.A O no hydrogen 3.064 N/A CYS 226.A N PHE 189.A O no hydrogen 2.767 N/A VAL 228.A N LYS 187.A O no hydrogen 2.831 N/A LYS 229.A N GLN 232.A OE1 no hydrogen 2.849 N/A GLY 231.A N VAL 182.A O no hydrogen 2.638 N/A GLN 232.A N LYS 229.A O no hydrogen 2.991 N/A THR 233.A N VAL 50.A O no hydrogen 2.969 N/A THR 233.A OG1 HIS 181.A ND1 no hydrogen 2.768 N/A LEU 234.A N TYR 180.A O no hydrogen 2.845 N/A PHE 235.A N ILE 48.A O no hydrogen 2.799 N/A ILE 236.A N ALA 178.A O no hydrogen 2.698 N/A SER 238.A OG GLY 175.A O no hydrogen 2.538 N/A TRP 240.A NE1 THR 45.A O no hydrogen 3.083 N/A ILE 241.A N ILE 192.A O no hydrogen 3.034 N/A TYR 242.A N HIS 170.A O no hydrogen 2.959 N/A TYR 242.A OH ASP 172.A OD1 no hydrogen 2.856 N/A TYR 242.A OH ASP 172.A OD2 no hydrogen 2.652 N/A TYR 242.A OH TYR 180.A OH no hydrogen 2.642 N/A ALA 243.A N TYR 190.A O no hydrogen 3.191 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 2.957 N/A THR 246.A N SER 165.A O no hydrogen 2.856 N/A THR 246.A OG1 SER 165.A OG no hydrogen 2.872 N/A CYS 250.A N CYS 161.A O no hydrogen 2.774 N/A CYS 250.A SG LYS 184.A O no hydrogen 3.415 N/A CYS 250.A SG GLU 186.A O no hydrogen 3.818 N/A LEU 251.A N LYS 184.A O no hydrogen 3.036 N/A ALA 252.A N LEU 159.A O no hydrogen 2.910 N/A PHE 253.A N HIS 181.A O no hydrogen 2.930 N/A ALA 254.A N TYR 157.A O no hydrogen 2.856 N/A GLY 255.A N TRP 179.A O no hydrogen 3.275 N/A HIS 256.A N VAL 154.A O no hydrogen 2.877 N/A PHE 257.A N SER 177.A O no hydrogen 2.938 N/A HIS 259.A N GLN 266.A OE1 no hydrogen 3.001 N/A HIS 259.A NE2 SER 177.A OG no hydrogen 3.062 N/A LEU 261.A N HIS 259.A ND1 no hydrogen 2.952 N/A SER 262.A N HIS 259.A O no hydrogen 3.523 N/A GLN 266.A N SER 262.A O no hydrogen 2.832 N/A GLN 266.A NE2 HIS 259.A O no hydrogen 3.416 N/A MET 267.A N VAL 263.A O no hydrogen 3.102 N/A ARG 268.A N GLU 264.A O no hydrogen 2.974 N/A ALA 269.A N MET 265.A O no hydrogen 2.902 N/A TYR 270.A N GLN 266.A O no hydrogen 3.037 N/A TYR 270.A OH GLU 288.A OE2 no hydrogen 2.558 N/A GLU 271.A N MET 267.A O no hydrogen 2.868 N/A VAL 272.A N ARG 268.A O no hydrogen 2.913 N/A GLU 273.A N ALA 269.A O no hydrogen 2.763 N/A ARG 274.A N TYR 270.A O no hydrogen 2.851 N/A ARG 275.A N GLU 271.A O no hydrogen 3.109 N/A ARG 275.A N VAL 272.A O no hydrogen 3.003 N/A ARG 275.A NE GLU 203.A OE2 no hydrogen 2.869 N/A ARG 275.A NH2 GLU 203.A OE1 no hydrogen 3.088 N/A LEU 276.A N VAL 272.A O no hydrogen 2.954 N/A LYS 277.A N GLU 273.A O no hydrogen 3.131 N/A PHE 284.A N SER 173.A OG no hydrogen 2.525 N/A THR 289.A N GLU 340.A OE1 no hydrogen 3.350 N/A THR 289.A OG1 ASN 286.A OD1 no hydrogen 2.991 N/A THR 289.A OG1 GLU 340.A O no hydrogen 2.541 N/A THR 289.A OG1 GLU 340.A OE1 no hydrogen 3.541 N/A ALA 290.A N ASN 286.A O no hydrogen 3.095 N/A CYS 291.A N PHE 287.A O no hydrogen 3.049 N/A CYS 291.A SG PHE 287.A O no hydrogen 3.584 N/A TRP 292.A N GLU 288.A O no hydrogen 2.823 N/A TYR 293.A N THR 289.A O no hydrogen 2.978 N/A MET 294.A N ALA 290.A O no hydrogen 3.052 N/A GLY 295.A N CYS 291.A O no hydrogen 2.866 N/A LYS 296.A N TRP 292.A O no hydrogen 3.023 N/A LYS 296.A NZ GLU 300.A OE2 no hydrogen 3.268 N/A HIS 297.A N TYR 293.A O no hydrogen 2.992 N/A LEU 298.A N MET 294.A O no hydrogen 2.843 N/A LEU 299.A N GLY 295.A O no hydrogen 2.912 N/A GLU 300.A N LYS 296.A O no hydrogen 2.892 N/A ALA 301.A N LEU 298.A O no hydrogen 2.738 N/A PHE 302.A N LEU 298.A O no hydrogen 2.857 N/A LYS 303.A N LEU 299.A O no hydrogen 3.258 N/A GLY 304.A N GLU 300.A O no hydrogen 3.329 N/A SER 305.A N PHE 302.A O no hydrogen 3.006 N/A SER 305.A OG ALA 301.A O no hydrogen 2.557 N/A HIS 306.A N LYS 303.A O no hydrogen 2.825 N/A LYS 307.A N GLY 304.A O no hydrogen 3.230 N/A GLY 309.A N SER 305.A O no hydrogen 2.819 N/A GLN 311.A NE2 SER 361.A OG no hydrogen 2.903 N/A LEU 316.A N PRO 313.A O no hydrogen 3.200 N/A VAL 317.A N PRO 313.A O no hydrogen 3.314 N/A GLN 318.A N PRO 314.A O no hydrogen 2.872 N/A GLY 319.A N HIS 315.A O no hydrogen 2.884 N/A ALA 320.A N LEU 316.A O no hydrogen 2.734 N/A LYS 321.A N VAL 317.A O no hydrogen 3.081 N/A ILE 322.A N GLN 318.A O no hydrogen 3.093 N/A LEU 323.A N GLY 319.A O no hydrogen 2.851 N/A ASN 324.A N ALA 320.A O no hydrogen 2.822 N/A ASN 324.A ND2 ILE 351.A O no hydrogen 3.145 N/A GLY 325.A N LYS 321.A O no hydrogen 3.015 N/A ALA 326.A N ILE 322.A O no hydrogen 3.045 N/A PHE 327.A N LEU 323.A O no hydrogen 2.708 N/A ARG 328.A N ASN 324.A O no hydrogen 2.858 N/A SER 329.A N GLY 325.A O no hydrogen 2.995 N/A TRP 330.A N ALA 326.A O no hydrogen 2.914 N/A TRP 330.A N PHE 327.A O no hydrogen 3.095 N/A THR 331.A N ARG 328.A O no hydrogen 3.354 N/A THR 331.A OG1 PHE 327.A O no hydrogen 2.816 N/A HIS 337.A ND1 GLU 288.A OE1 no hydrogen 2.869 N/A ASP 339.A N GLU 336.A O no hydrogen 3.230 N/A GLU 340.A N HIS 337.A O no hydrogen 3.043 N/A LEU 341.A N GLU 338.A O no hydrogen 3.131 N/A GLU 343.A N GLU 343.A OE1 no hydrogen 2.715 N/A PHE 345.A N PRO 342.A O no hydrogen 3.254 N/A LEU 350.A N LYS 346.A O no hydrogen 2.992 N/A ILE 351.A N PRO 347.A O no hydrogen 3.118 N/A LYS 352.A N SER 348.A O no hydrogen 3.260 N/A ASP 353.A N GLN 349.A O no hydrogen 2.853 N/A LEU 354.A N LEU 350.A O no hydrogen 2.775 N/A ALA 355.A N ILE 351.A O no hydrogen 2.931 N/A LYS 356.A N LYS 352.A O no hydrogen 3.167 N/A GLU 357.A N ASP 353.A O no hydrogen 3.245 N/A ILE 358.A N LEU 354.A O no hydrogen 2.851 N/A ARG 359.A N ALA 355.A O no hydrogen 3.041 N/A LEU 360.A N.A LYS 356.A O no hydrogen 2.839 N/A LEU 360.A N.B LYS 356.A O no hydrogen 2.846 N/A SER 361.A N GLU 357.A O no hydrogen 3.216 N/A GLU 362.A N ILE 358.A O no hydrogen 3.155 N/A ASN 363.A N ARG 359.A O no hydrogen 3.240 N/A ASN 363.A N LEU 360.A O.A no hydrogen 3.078 N/A