Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pcu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A OH GLU 17.A OE2 no hydrogen 2.375 N/A GLY 6.A N ASN 4.A OD1 no hydrogen 2.912 N/A ALA 7.A N ASN 4.A O no hydrogen 3.234 N/A TYR 8.A OH LEU 278.A O no hydrogen 2.719 N/A HIS 9.A NE2 ASN 4.A O no hydrogen 2.701 N/A ALA 13.A N SER 10.A OG no hydrogen 3.028 N/A ILE 14.A N SER 10.A O no hydrogen 3.018 N/A TYR 15.A N LEU 11.A O no hydrogen 2.928 N/A TYR 15.A OH PRO 42.A O no hydrogen 2.635 N/A HIS 16.A N GLU 12.A O no hydrogen 2.844 N/A GLU 17.A N ALA 13.A O no hydrogen 2.945 N/A MET 18.A N ILE 14.A O no hydrogen 2.930 N/A ASP 19.A N TYR 15.A O no hydrogen 3.006 N/A ASN 20.A N HIS 16.A O no hydrogen 2.916 N/A ILE 21.A N GLU 17.A O no hydrogen 2.906 N/A ALA 22.A N MET 18.A O no hydrogen 3.096 N/A ALA 23.A N ASP 19.A O no hydrogen 2.854 N/A ASP 24.A N ASN 20.A O no hydrogen 2.942 N/A PHE 25.A N ILE 21.A O no hydrogen 3.104 N/A LEU 28.A N PHE 25.A O no hydrogen 2.910 N/A ALA 29.A N PHE 25.A O no hydrogen 2.824 N/A ARG 30.A N LYS 47.A O no hydrogen 2.934 N/A ARG 30.A NE ALA 29.A O no hydrogen 2.767 N/A ARG 30.A NH2 ALA 22.A O no hydrogen 2.927 N/A ARG 31.A NH1.A TYR 15.A O no hydrogen 2.937 N/A VAL 32.A N VAL 45.A O no hydrogen 2.817 N/A ILE 34.A N MET 43.A O no hydrogen 2.860 N/A HIS 36.A ND1 SER 37.A O no hydrogen 2.860 N/A SER 37.A N ARG 41.A O no hydrogen 2.773 N/A SER 37.A OG ARG 41.A O no hydrogen 3.473 N/A SER 37.A OG ASP 111.A OD1 no hydrogen 2.568 N/A SER 37.A OG ASP 111.A OD2 no hydrogen 3.190 N/A PHE 38.A N GLU 172.A OE2 no hydrogen 3.045 N/A GLU 39.A N ASP 111.A OD2 no hydrogen 2.946 N/A ASN 40.A N SER 37.A O no hydrogen 2.882 N/A ARG 41.A N SER 37.A OG no hydrogen 2.926 N/A ARG 41.A NH1 GLU 39.A OE2 no hydrogen 2.671 N/A ARG 41.A NH1 ASP 111.A OD1 no hydrogen 2.891 N/A MET 43.A N GLY 35.A O no hydrogen 2.868 N/A VAL 45.A N VAL 32.A O no hydrogen 2.816 N/A LEU 46.A N LEU 104.A O no hydrogen 2.881 N/A LYS 47.A N ARG 30.A O no hydrogen 2.856 N/A PHE 48.A N ILE 102.A O no hydrogen 2.811 N/A SER 49.A N LEU 28.A O no hydrogen 2.888 N/A SER 49.A OG GLY 51.A O no hydrogen 3.242 N/A SER 49.A OG ASP 101.A OD1 no hydrogen 2.742 N/A THR 50.A OG1 LEU 97.A O no hydrogen 2.794 N/A ARG 56.A NE ASP 101.A OD1 no hydrogen 3.101 N/A ARG 56.A NH2 GLU 98.A O no hydrogen 3.045 N/A ALA 58.A N ASN 185.A O no hydrogen 2.974 N/A VAL 59.A N ASP 101.A O no hydrogen 2.899 N/A TRP 60.A N GLY 188.A O no hydrogen 2.941 N/A TRP 60.A NE1 ASN 62.A OD1 no hydrogen 2.941 N/A LEU 61.A N PHE 103.A O no hydrogen 2.791 N/A ASN 62.A N ILE 190.A O no hydrogen 2.768 N/A ASN 62.A ND2 ASP 191.A OD1 no hydrogen 3.009 N/A ALA 63.A N LEU 105.A O no hydrogen 2.940 N/A GLY 64.A N SER 72.A OG.A no hydrogen 2.782 N/A HIS 66.A ND1 HIS 193.A ND1 no hydrogen 3.184 N/A HIS 66.A NE2 ASP 139.A OD1 no hydrogen 2.729 N/A SER 67.A N ARG 124.A O no hydrogen 3.297 N/A SER 67.A OG TRP 123.A O no hydrogen 2.849 N/A ARG 68.A NH1 LEU 122.A O no hydrogen 2.795 N/A ARG 68.A NH1 GLU 160.A OE1 no hydrogen 3.060 N/A ARG 68.A NH1 GLU 160.A OE2 no hydrogen 3.539 N/A ARG 68.A NH2 GLU 160.A OE2 no hydrogen 2.895 N/A GLU 69.A N HIS 66.A O no hydrogen 3.062 N/A TRP 70.A NE1 THR 116.A OG1 no hydrogen 2.866 N/A SER 72.A N GLU 69.A O no hydrogen 2.829 N/A SER 72.A OG.A LEU 192.A O no hydrogen 2.689 N/A SER 72.A OG.B GLU 69.A O no hydrogen 2.725 N/A GLN 73.A NE2 GLU 69.A O no hydrogen 2.840 N/A ALA 74.A N TRP 70.A O no hydrogen 3.147 N/A THR 75.A N ILE 71.A O no hydrogen 2.876 N/A THR 75.A OG1 ILE 71.A O no hydrogen 2.821 N/A ALA 76.A N SER 72.A O no hydrogen 2.907 N/A ILE 77.A N GLN 73.A O no hydrogen 3.021 N/A TRP 78.A N ALA 74.A O no hydrogen 3.205 N/A THR 79.A N THR 75.A O no hydrogen 2.865 N/A THR 79.A OG1 THR 75.A O no hydrogen 2.744 N/A ALA 80.A N ALA 76.A O no hydrogen 3.007 N/A ARG 81.A N ILE 77.A O no hydrogen 3.265 N/A ARG 81.A NE TYR 5.A OH no hydrogen 2.962 N/A ARG 81.A NH2 GLU 17.A OE2 no hydrogen 2.995 N/A LYS 82.A N TRP 78.A O no hydrogen 2.823 N/A LYS 82.A NZ ASP 86.A OD2 no hydrogen 3.048 N/A ILE 83.A N THR 79.A O no hydrogen 2.883 N/A VAL 84.A N ALA 80.A O no hydrogen 3.348 N/A SER 85.A N ARG 81.A O no hydrogen 2.937 N/A SER 85.A OG ARG 81.A O no hydrogen 2.686 N/A ASP 86.A N LYS 82.A O no hydrogen 2.951 N/A TYR 87.A N ILE 83.A O no hydrogen 3.117 N/A GLN 88.A N THR 94.A OG1 no hydrogen 2.927 N/A ARG 89.A N ASP 86.A O no hydrogen 2.758 N/A ARG 89.A NH2 SER 85.A O no hydrogen 3.120 N/A ALA 92.A N ASP 90.A OD1 no hydrogen 3.094 N/A ILE 93.A N ASP 90.A OD2 no hydrogen 2.947 N/A THR 94.A N ASP 90.A O no hydrogen 3.097 N/A THR 94.A OG1 ASP 90.A O no hydrogen 2.688 N/A SER 95.A N PRO 91.A O no hydrogen 2.876 N/A SER 95.A OG PRO 91.A O no hydrogen 2.922 N/A SER 95.A OG ALA 92.A O no hydrogen 3.174 N/A ILE 96.A N ALA 92.A O no hydrogen 2.917 N/A LEU 97.A N ILE 93.A O no hydrogen 2.946 N/A GLU 98.A N THR 94.A O no hydrogen 2.883 N/A LYS 99.A N ILE 96.A O no hydrogen 3.076 N/A MET 100.A N ILE 96.A O no hydrogen 2.973 N/A ASP 101.A N PRO 57.A O no hydrogen 2.829 N/A ILE 102.A N PHE 48.A O no hydrogen 2.945 N/A PHE 103.A N VAL 59.A O no hydrogen 2.896 N/A LEU 104.A N LEU 46.A O no hydrogen 2.843 N/A LEU 105.A N LEU 61.A O no hydrogen 2.833 N/A ALA 108.A N ALA 63.A O no hydrogen 2.839 N/A ASN 109.A ND2 ILE 65.A O no hydrogen 3.046 N/A ASN 109.A ND2 LYS 125.A O no hydrogen 2.925 N/A GLY 112.A N ASN 109.A OD1 no hydrogen 3.037 N/A TYR 113.A N ASN 109.A O no hydrogen 3.042 N/A TYR 113.A OH HIS 9.A O no hydrogen 2.544 N/A VAL 114.A N PRO 110.A O no hydrogen 2.994 N/A TYR 115.A N ASP 111.A O no hydrogen 2.990 N/A THR 116.A N GLY 112.A O no hydrogen 2.904 N/A THR 116.A OG1 TYR 113.A O no hydrogen 2.724 N/A GLN 117.A N TYR 113.A O no hydrogen 3.142 N/A GLN 117.A N VAL 114.A O no hydrogen 3.057 N/A THR 118.A N TYR 115.A O no hydrogen 3.307 N/A THR 118.A OG1 VAL 114.A O no hydrogen 2.796 N/A GLN 119.A N TYR 115.A O no hydrogen 2.807 N/A ASN 120.A N TYR 115.A O no hydrogen 2.986 N/A ARG 121.A NH1 ARG 68.A O no hydrogen 2.854 N/A ARG 121.A NH1 ARG 121.A O no hydrogen 2.931 N/A ARG 121.A NH2 PHE 276.A O no hydrogen 2.928 N/A TRP 123.A N ASN 120.A O no hydrogen 3.032 N/A TRP 123.A NE1 THR 126.A O no hydrogen 3.013 N/A ARG 124.A NE ASP 139.A OD2 no hydrogen 3.125 N/A ARG 124.A NE GLU 160.A O no hydrogen 3.095 N/A ARG 124.A NH1 ASP 139.A OD2 no hydrogen 2.766 N/A LYS 125.A NZ ILE 136.A O no hydrogen 3.388 N/A LYS 125.A NZ GLY 137.A O no hydrogen 3.044 N/A LYS 125.A NZ SER 159.A O no hydrogen 2.820 N/A THR 126.A N ALA 138.A O no hydrogen 2.894 N/A THR 126.A OG1 SER 128.A OG no hydrogen 3.285 N/A THR 126.A OG1 ALA 138.A O no hydrogen 3.306 N/A THR 126.A OG1 GLU 170.A OE1 no hydrogen 2.811 N/A SER 128.A OG THR 126.A OG1 no hydrogen 3.285 N/A SER 128.A OG GLU 170.A OE1 no hydrogen 2.661 N/A ASN 130.A ND2 CYS 135.A O no hydrogen 3.021 N/A ASN 130.A ND2 GLY 137.A O no hydrogen 3.203 N/A SER 133.A N ASN 130.A O no hydrogen 2.964 N/A CYS 135.A N SER 133.A OG no hydrogen 3.019 N/A GLY 137.A N SER 128.A O no hydrogen 2.772 N/A ALA 138.A N THR 126.A OG1 no hydrogen 3.008 N/A ASP 139.A N TYR 162.A O no hydrogen 2.812 N/A ASN 141.A N ASP 139.A OD1 no hydrogen 2.899 N/A ARG 142.A N ASP 139.A O no hydrogen 2.943 N/A ARG 142.A NE GLY 152.A O no hydrogen 2.966 N/A ARG 142.A NH1 ASN 141.A O no hydrogen 2.919 N/A ASN 143.A N PRO 140.A O no hydrogen 3.377 N/A ASN 143.A ND2 HIS 163.A O no hydrogen 2.853 N/A ASN 143.A ND2 HIS 166.A O no hydrogen 3.288 N/A ASN 143.A ND2 SER 169.A OG no hydrogen 2.962 N/A TRP 144.A N GLY 249.A O no hydrogen 2.881 N/A ALA 146.A N TRP 144.A O no hydrogen 2.858 N/A GLY 150.A N SER 147.A O no hydrogen 3.077 N/A SER 154.A N VAL 161.A O no hydrogen 2.958 N/A ASN 156.A N SER 154.A OG no hydrogen 2.982 N/A CYS 158.A N ASN 156.A OD1 no hydrogen 2.993 N/A SER 159.A N ASN 156.A O no hydrogen 2.893 N/A VAL 161.A N SER 159.A OG no hydrogen 2.950 N/A TYR 162.A N SER 159.A O no hydrogen 3.239 N/A HIS 163.A N SER 154.A O no hydrogen 3.096 N/A HIS 163.A ND1 GLY 164.A O no hydrogen 2.744 N/A HIS 163.A NE2 ASP 155.A OD2 no hydrogen 2.684 N/A HIS 166.A ND1 ALA 167.A O no hydrogen 2.810 N/A ASN 168.A N ASN 143.A O no hydrogen 2.825 N/A SER 169.A N HIS 166.A O no hydrogen 3.077 N/A SER 169.A OG HIS 166.A O no hydrogen 3.244 N/A SER 169.A OG GLU 170.A OE2 no hydrogen 2.787 N/A GLU 170.A N ASN 143.A OD1 no hydrogen 2.971 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.861 N/A VAL 173.A N GLU 170.A O no hydrogen 2.961 N/A LYS 174.A N GLU 170.A O no hydrogen 2.957 N/A LYS 174.A NZ ASP 178.A OD2 no hydrogen 2.674 N/A SER 175.A N VAL 171.A O no hydrogen 2.877 N/A SER 175.A OG VAL 171.A O no hydrogen 2.793 N/A VAL 177.A N VAL 173.A O no hydrogen 2.920 N/A ASP 178.A N LYS 174.A O no hydrogen 2.795 N/A PHE 179.A N SER 175.A O no hydrogen 3.053 N/A ILE 180.A N VAL 176.A O no hydrogen 2.898 N/A GLN 181.A N VAL 177.A O no hydrogen 2.902 N/A LYS 182.A N ASP 178.A O no hydrogen 2.930 N/A HIS 183.A N PHE 179.A O no hydrogen 2.858 N/A GLY 184.A N ILE 180.A O no hydrogen 2.973 N/A ASN 185.A ND2 ARG 55.A O no hydrogen 2.580 N/A LYS 187.A N ALA 58.A O no hydrogen 2.807 N/A LYS 187.A NZ ASN 185.A OD1 no hydrogen 2.818 N/A PHE 189.A N PHE 262.A O no hydrogen 2.881 N/A ILE 190.A N TRP 60.A O no hydrogen 2.805 N/A ASP 191.A N PHE 264.A O no hydrogen 2.801 N/A LEU 192.A N ASN 62.A O no hydrogen 2.776 N/A HIS 193.A N PHE 266.A O no hydrogen 2.806 N/A HIS 193.A NE2 ASP 191.A OD2 no hydrogen 2.601 N/A SER 194.A N GLU 69.A OE1 no hydrogen 3.002 N/A SER 196.A N LEU 268.A O no hydrogen 3.113 N/A SER 196.A OG TYR 195.A O no hydrogen 2.591 N/A GLN 197.A N LEU 268.A O no hydrogen 3.264 N/A GLN 197.A NE2 GLU 234.A O no hydrogen 3.004 N/A LEU 198.A N GLU 267.A O no hydrogen 3.070 N/A LEU 199.A N GLN 236.A O no hydrogen 2.823 N/A MET 200.A N THR 265.A O no hydrogen 2.836 N/A TYR 201.A N GLY 238.A O no hydrogen 3.191 N/A TYR 201.A OH ASP 217.A OD2 no hydrogen 2.551 N/A TYR 203.A OH ASP 257.A OD2 no hydrogen 3.166 N/A GLY 204.A N ASP 253.A OD1 no hydrogen 3.399 N/A GLY 204.A N ASP 253.A OD2 no hydrogen 2.681 N/A TYR 205.A N ASP 253.A OD2 no hydrogen 3.212 N/A TYR 205.A OH ASP 257.A OD1 no hydrogen 2.730 N/A TYR 205.A OH ASP 257.A OD2 no hydrogen 3.385 N/A LYS 208.A N SER 206.A OG no hydrogen 2.965 N/A LYS 208.A NZ TYR 205.A OH no hydrogen 2.999 N/A LYS 209.A NZ ALA 210.A O no hydrogen 3.108 N/A ASP 212.A N TYR 256.A OH no hydrogen 3.027 N/A ALA 213.A N ALA 210.A O no hydrogen 2.912 N/A LEU 216.A N ASP 212.A O no hydrogen 2.843 N/A ASP 217.A N ALA 213.A O no hydrogen 2.818 N/A LYS 218.A N GLU 214.A O no hydrogen 3.107 N/A VAL 219.A N GLU 215.A O no hydrogen 2.958 N/A ALA 220.A N LEU 216.A O no hydrogen 2.882 N/A ARG 221.A N ASP 217.A O no hydrogen 2.866 N/A ARG 221.A NE ASP 217.A OD1 no hydrogen 2.893 N/A LEU 222.A N LYS 218.A O no hydrogen 3.064 N/A ALA 223.A N VAL 219.A O no hydrogen 2.903 N/A ALA 224.A N ALA 220.A O no hydrogen 2.782 N/A LYS 225.A N ARG 221.A O no hydrogen 2.967 N/A ALA 226.A N LEU 222.A O no hydrogen 2.988 N/A LEU 227.A N ALA 223.A O no hydrogen 2.875 N/A ALA 228.A N ALA 224.A O no hydrogen 2.831 N/A SER 229.A N LYS 225.A O no hydrogen 3.141 N/A SER 229.A N ALA 226.A O no hydrogen 3.085 N/A SER 229.A OG ALA 226.A O no hydrogen 2.638 N/A VAL 230.A N LEU 227.A O no hydrogen 3.278 N/A SER 231.A OG GLU 289.A OE1 no hydrogen 3.100 N/A GLY 232.A N ALA 228.A O no hydrogen 2.858 N/A THR 233.A OG1 GLU 289.A OE1 no hydrogen 2.585 N/A THR 233.A OG1 GLU 289.A OE2 no hydrogen 3.416 N/A GLN 236.A N GLN 197.A O no hydrogen 3.140 N/A GLY 238.A N LEU 199.A O no hydrogen 3.320 N/A THR 240.A N TYR 201.A O no hydrogen 2.937 N/A THR 240.A OG1 TYR 201.A O no hydrogen 3.356 N/A CYS 241.A N TYR 203.A O no hydrogen 2.949 N/A CYS 241.A SG.A TYR 203.A O no hydrogen 3.385 N/A CYS 241.A SG.A SER 206.A O no hydrogen 3.521 N/A CYS 241.A SG.B GLY 204.A O no hydrogen 3.813 N/A THR 243.A N PRO 239.A O no hydrogen 3.013 N/A THR 243.A N THR 240.A O no hydrogen 3.116 N/A THR 243.A OG1 PRO 239.A O no hydrogen 2.744 N/A VAL 244.A N THR 240.A O no hydrogen 2.953 N/A TYR 245.A N THR 240.A O no hydrogen 3.321 N/A ALA 247.A N GLY 204.A O no hydrogen 2.838 N/A SER 248.A N LYS 151.A O no hydrogen 2.773 N/A SER 248.A OG LYS 151.A O no hydrogen 2.825 N/A GLY 249.A N ALA 146.A O no hydrogen 2.856 N/A SER 251.A N ASN 141.A OD1 no hydrogen 2.913 N/A SER 251.A OG ASN 141.A OD1 no hydrogen 3.439 N/A SER 251.A OG ASP 191.A OD2 no hydrogen 2.732 N/A TRP 254.A N SER 250.A O no hydrogen 3.060 N/A ALA 255.A N SER 251.A O no hydrogen 2.884 N/A TYR 256.A N ILE 252.A O no hydrogen 2.895 N/A TYR 256.A OH ASP 212.A OD2 no hydrogen 2.753 N/A ASP 257.A N ASP 253.A O no hydrogen 2.883 N/A ASN 258.A N TRP 254.A O no hydrogen 3.019 N/A ASN 258.A N ALA 255.A O no hydrogen 3.110 N/A ASN 258.A ND2 TRP 254.A O no hydrogen 2.879 N/A GLY 259.A N TYR 256.A O no hydrogen 2.915 N/A ILE 260.A N ALA 255.A O no hydrogen 2.928 N/A LYS 261.A NZ GLU 215.A OE1 no hydrogen 3.053 N/A PHE 262.A N LYS 187.A O no hydrogen 3.054 N/A ALA 263.A N LYS 261.A O no hydrogen 3.093 N/A PHE 264.A N PHE 189.A O no hydrogen 3.017 N/A THR 265.A N MET 200.A O no hydrogen 2.812 N/A PHE 266.A N ASP 191.A O no hydrogen 2.911 N/A GLU 267.A N LEU 198.A O no hydrogen 2.821 N/A LEU 268.A N HIS 193.A O no hydrogen 2.762 N/A ARG 269.A NE GLU 289.A OE2 no hydrogen 2.858 N/A ARG 269.A NH1 GLN 282.A OE1 no hydrogen 3.066 N/A ARG 269.A NH2 GLU 289.A OE1 no hydrogen 2.982 N/A GLY 272.A N ASP 270.A OD1 no hydrogen 2.864 N/A TYR 274.A N ASP 270.A OD2 no hydrogen 2.861 N/A GLY 275.A N ASP 270.A OD1 no hydrogen 2.947 N/A LEU 277.A N TYR 274.A O no hydrogen 3.047 N/A GLN 282.A N PRO 279.A O no hydrogen 2.971 N/A ILE 283.A N ALA 280.A O no hydrogen 2.994 N/A THR 286.A N GLN 282.A O no hydrogen 2.932 N/A THR 286.A OG1 GLN 282.A O no hydrogen 2.770 N/A ALA 287.A N ILE 283.A O no hydrogen 2.824 N/A GLU 288.A N ILE 284.A O no hydrogen 2.814 N/A GLU 289.A N PRO 285.A O no hydrogen 3.235 N/A THR 290.A N THR 286.A O no hydrogen 2.926 N/A THR 290.A OG1 THR 286.A O no hydrogen 2.651 N/A TRP 291.A N ALA 287.A O no hydrogen 2.949 N/A LEU 292.A N GLU 289.A O no hydrogen 3.103 N/A GLY 293.A N GLU 289.A O no hydrogen 3.366 N/A LEU 294.A N THR 290.A O no hydrogen 2.817 N/A LYS 295.A N TRP 291.A O no hydrogen 2.804 N/A LYS 295.A NZ ASP 90.A OD2 no hydrogen 3.356 N/A THR 296.A N LEU 292.A O no hydrogen 2.974 N/A THR 296.A OG1 LEU 292.A O no hydrogen 2.762 N/A ILE 297.A N GLY 293.A O no hydrogen 3.097 N/A MET 298.A N LEU 294.A O no hydrogen 2.916 N/A GLU 299.A N LYS 295.A O no hydrogen 2.742 N/A HIS 300.A N THR 296.A O no hydrogen 3.077 N/A HIS 300.A ND1.B THR 296.A O no hydrogen 2.694 N/A HIS 300.A NE2.A GLU 215.A OE2 no hydrogen 2.755 N/A VAL 301.A N ILE 297.A O no hydrogen 3.027 N/A ARG 302.A N MET 298.A O no hydrogen 2.835 N/A ARG 302.A NE ASP 303.A OD1 no hydrogen 2.791 N/A ARG 302.A NH1 SER 95.A OG no hydrogen 2.900 N/A ARG 302.A NH2 ASP 303.A OD1 no hydrogen 3.111 N/A ARG 302.A NH2 ASP 303.A OD2 no hydrogen 2.974 N/A ASP 303.A N GLU 299.A O no hydrogen 2.927 N/A ASN 304.A N VAL 301.A O no hydrogen 2.934 N/A LEU 305.A N ARG 302.A O no hydrogen 3.005 N/A