Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pdw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ SER 200.A O no hydrogen 2.969 N/A LYS 3.A NZ ASP 222.A OD2 no hydrogen 3.032 N/A TYR 5.A OH ASP 222.A OD2 no hydrogen 2.556 N/A TYR 5.A OH HIS 239.A NE2 no hydrogen 3.019 N/A LYS 6.A N GLU 201.A O no hydrogen 2.780 N/A GLY 7.A N GLU 201.A O no hydrogen 3.316 N/A TYR 8.A N PRO 39.A O no hydrogen 3.097 N/A LEU 9.A N LEU 203.A O no hydrogen 2.874 N/A ILE 10.A N LEU 41.A O no hydrogen 2.812 N/A ASP 11.A N VAL 205.A O no hydrogen 2.866 N/A LEU 12.A N VAL 43.A O no hydrogen 2.932 N/A ASP 13.A N ASP 11.A OD2 no hydrogen 2.856 N/A THR 15.A OG1 THR 228.A OG1 no hydrogen 2.702 N/A MET 16.A N ASP 207.A OD2 no hydrogen 2.913 N/A TYR 17.A OH ASP 11.A O no hydrogen 2.669 N/A ASN 18.A N THR 15.A O no hydrogen 3.070 N/A LYS 22.A NZ THR 228.A O no hydrogen 3.099 N/A ILE 23.A N GLY 19.A O no hydrogen 3.059 N/A GLU 24.A N THR 20.A O no hydrogen 3.056 N/A GLU 25.A N GLU 21.A O no hydrogen 2.953 N/A ALA 26.A N LYS 22.A O no hydrogen 2.812 N/A CYS 27.A N ILE 23.A O no hydrogen 2.917 N/A CYS 27.A SG ASP 62.A O no hydrogen 3.152 N/A GLU 28.A N GLU 24.A O no hydrogen 3.029 N/A PHE 29.A N GLU 25.A O no hydrogen 2.984 N/A VAL 30.A N ALA 26.A O no hydrogen 2.951 N/A ARG 31.A N CYS 27.A O no hydrogen 2.894 N/A ARG 31.A NE ASP 62.A O no hydrogen 3.019 N/A ARG 31.A NH2 ASP 62.A O no hydrogen 2.692 N/A THR 32.A N GLU 28.A O no hydrogen 2.968 N/A THR 32.A OG1 GLU 28.A O no hydrogen 2.748 N/A LEU 33.A N PHE 29.A O no hydrogen 3.229 N/A LYS 34.A N VAL 30.A O no hydrogen 2.936 N/A ASP 35.A N ARG 31.A O no hydrogen 2.671 N/A ARG 36.A N THR 32.A O no hydrogen 2.904 N/A ARG 36.A NH1 HIS 255.A O no hydrogen 2.797 N/A GLY 37.A N LYS 34.A O no hydrogen 3.044 N/A VAL 38.A N LEU 33.A O no hydrogen 2.855 N/A TYR 40.A OH PRO 64.A O no hydrogen 2.792 N/A LEU 41.A N TYR 8.A O no hydrogen 2.970 N/A PHE 42.A N GLN 69.A O no hydrogen 2.842 N/A VAL 43.A N ILE 10.A O no hydrogen 2.888 N/A THR 44.A OG1 ASP 13.A OD1 no hydrogen 2.642 N/A THR 44.A OG1 ASP 13.A OD2 no hydrogen 3.524 N/A ASN 45.A N ASP 13.A OD2 no hydrogen 2.815 N/A ASN 45.A ND2 ASP 149.A OD1 no hydrogen 2.926 N/A ASN 45.A ND2 LYS 182.A O no hydrogen 2.977 N/A ASN 46.A N THR 44.A OG1 no hydrogen 2.963 N/A SER 48.A N ASN 46.A OD1 no hydrogen 2.805 N/A SER 48.A OG GLU 95.A OE1 no hydrogen 2.550 N/A ARG 49.A N ASN 46.A OD1 no hydrogen 3.337 N/A THR 50.A N GLN 53.A OE1 no hydrogen 2.992 N/A LYS 52.A NZ ASP 56.A OD2 no hydrogen 2.804 N/A GLN 53.A N THR 50.A OG1 no hydrogen 3.131 N/A VAL 54.A N THR 50.A O no hydrogen 3.102 N/A ALA 55.A N PRO 51.A O no hydrogen 2.927 N/A ASP 56.A N LYS 52.A O no hydrogen 2.857 N/A LYS 57.A N GLN 53.A O no hydrogen 3.303 N/A LEU 58.A N VAL 54.A O no hydrogen 3.059 N/A VAL 59.A N ALA 55.A O no hydrogen 2.794 N/A SER 60.A N ASP 56.A O no hydrogen 3.000 N/A SER 60.A OG LYS 57.A O no hydrogen 2.662 N/A PHE 61.A N LEU 58.A O no hydrogen 3.025 N/A ASP 62.A N VAL 59.A O no hydrogen 2.942 N/A ILE 63.A N LEU 58.A O no hydrogen 3.044 N/A THR 66.A N GLN 69.A OE1 no hydrogen 2.938 N/A GLN 69.A N THR 66.A O no hydrogen 2.941 N/A VAL 70.A N GLU 67.A O no hydrogen 3.244 N/A PHE 71.A N PHE 42.A O no hydrogen 2.725 N/A THR 73.A N THR 44.A O no hydrogen 3.020 N/A THR 73.A OG1 THR 146.A O no hydrogen 2.644 N/A SER 74.A OG SER 47.A O no hydrogen 2.663 N/A MET 75.A N THR 72.A OG1 no hydrogen 3.306 N/A ALA 76.A N THR 72.A O no hydrogen 3.090 N/A THR 77.A N THR 73.A O no hydrogen 2.779 N/A THR 77.A OG1 THR 73.A O no hydrogen 2.740 N/A ALA 78.A N SER 74.A O no hydrogen 3.000 N/A GLN 79.A N MET 75.A O no hydrogen 2.972 N/A HIS 80.A N ALA 76.A O no hydrogen 2.895 N/A ILE 81.A N THR 77.A O no hydrogen 3.002 N/A ALA 82.A N ALA 78.A O no hydrogen 2.942 N/A GLN 83.A N GLN 79.A O no hydrogen 3.001 N/A GLN 83.A NE2 GLN 190.A OE1 no hydrogen 2.928 N/A GLN 84.A N HIS 80.A O no hydrogen 3.123 N/A GLN 84.A N ILE 81.A O no hydrogen 2.872 N/A LYS 85.A N ILE 81.A O no hydrogen 2.957 N/A LYS 85.A NZ ASP 87.A OD1 no hydrogen 2.828 N/A LYS 85.A NZ ASP 115.A OD2 no hydrogen 3.358 N/A ALA 88.A N LYS 85.A O no hydrogen 3.137 N/A SER 89.A N ASP 115.A OD2 no hydrogen 3.113 N/A VAL 90.A N THR 108.A O no hydrogen 2.762 N/A TYR 91.A N PHE 116.A O no hydrogen 2.758 N/A TYR 91.A OH LYS 129.A O no hydrogen 2.862 N/A ILE 93.A N VAL 118.A O no hydrogen 2.855 N/A GLY 97.A N SER 48.A O no hydrogen 2.767 N/A ARG 99.A N GLU 95.A O no hydrogen 3.288 N/A GLN 100.A N GLU 96.A O no hydrogen 2.893 N/A ALA 101.A N GLY 97.A O no hydrogen 3.067 N/A ILE 102.A N ILE 98.A O no hydrogen 2.987 N/A GLU 103.A N ARG 99.A O no hydrogen 3.019 N/A GLU 104.A N GLN 100.A O no hydrogen 2.839 N/A ASN 105.A N ALA 101.A O no hydrogen 3.161 N/A ASN 105.A N ILE 102.A O no hydrogen 3.310 N/A ASN 105.A ND2 ALA 101.A O no hydrogen 2.906 N/A GLY 106.A N GLU 103.A O no hydrogen 3.424 N/A LEU 107.A N ILE 102.A O no hydrogen 3.355 N/A THR 108.A N ALA 88.A O no hydrogen 3.094 N/A GLY 110.A N VAL 90.A O no hydrogen 2.865 N/A ALA 114.A N GLY 111.A O no hydrogen 3.158 N/A ASP 115.A N SER 89.A OG no hydrogen 3.002 N/A PHE 116.A N SER 89.A O no hydrogen 3.068 N/A VAL 117.A N ARG 142.A O no hydrogen 2.790 N/A VAL 118.A N TYR 91.A O no hydrogen 2.935 N/A VAL 119.A N ILE 144.A O no hydrogen 2.956 N/A GLY 120.A N ILE 93.A O no hydrogen 2.772 N/A ILE 121.A N SER 47.A OG no hydrogen 3.334 N/A ARG 123.A N GLU 95.A OE2 no hydrogen 2.796 N/A ARG 123.A NE GLU 95.A OE2 no hydrogen 2.922 N/A ARG 123.A NH2 GLU 95.A OE1 no hydrogen 2.816 N/A SER 124.A N ASP 122.A OD1 no hydrogen 2.784 N/A ILE 125.A N ASP 122.A O no hydrogen 3.238 N/A LYS 129.A N THR 126.A OG1 no hydrogen 3.037 N/A LYS 129.A NZ ASP 122.A OD2 no hydrogen 2.957 N/A LYS 129.A NZ SER 124.A O no hydrogen 2.795 N/A PHE 130.A N THR 126.A O no hydrogen 3.261 N/A ALA 131.A N TYR 127.A O no hydrogen 2.874 N/A VAL 132.A N GLU 128.A O no hydrogen 2.926 N/A GLY 133.A N LYS 129.A O no hydrogen 3.296 N/A CYS 134.A N PHE 130.A O no hydrogen 2.926 N/A CYS 134.A SG PHE 130.A O no hydrogen 3.423 N/A LEU 135.A N ALA 131.A O no hydrogen 2.936 N/A ALA 136.A N VAL 132.A O no hydrogen 2.946 N/A ILE 137.A N GLY 133.A O no hydrogen 3.043 N/A ARG 138.A N CYS 134.A O no hydrogen 2.975 N/A ARG 138.A NH2 SER 172.A O no hydrogen 2.801 N/A ASN 139.A N LEU 135.A O no hydrogen 2.921 N/A ASN 139.A ND2 GLU 112.A O no hydrogen 2.963 N/A GLY 140.A N ILE 137.A O no hydrogen 2.893 N/A ALA 141.A N ALA 136.A O no hydrogen 2.934 N/A ARG 142.A N ASP 115.A O no hydrogen 2.977 N/A ILE 144.A N VAL 117.A O no hydrogen 2.819 N/A SER 145.A N VAL 178.A O no hydrogen 2.862 N/A SER 145.A OG ASN 147.A O no hydrogen 3.305 N/A SER 145.A OG THR 166.A OG1 no hydrogen 2.854 N/A THR 146.A N VAL 119.A O no hydrogen 2.967 N/A THR 146.A OG1 VAL 119.A O no hydrogen 3.383 N/A THR 146.A OG1 ASN 147.A OD1 no hydrogen 2.749 N/A ASN 147.A ND2 ASP 149.A OD1 no hydrogen 2.858 N/A ILE 152.A N LEU 159.A O no hydrogen 2.792 N/A THR 154.A N GLY 157.A O no hydrogen 2.967 N/A THR 154.A OG1 GLY 157.A O no hydrogen 2.970 N/A ARG 156.A N THR 154.A OG1 no hydrogen 3.075 N/A GLY 157.A N THR 154.A O no hydrogen 3.103 N/A LEU 159.A N ILE 152.A O no hydrogen 2.870 N/A GLY 161.A N ILE 150.A O no hydrogen 2.912 N/A ASN 162.A ND2 VAL 119.A O no hydrogen 2.941 N/A ASN 162.A ND2 ASN 147.A O no hydrogen 2.959 N/A GLY 163.A N ASP 149.A O no hydrogen 2.774 N/A SER 164.A N GLY 161.A O no hydrogen 3.022 N/A SER 164.A OG GLY 161.A O no hydrogen 2.727 N/A LEU 165.A N GLY 161.A O no hydrogen 3.368 N/A THR 166.A N ASN 162.A O no hydrogen 2.881 N/A THR 166.A OG1 SER 145.A OG no hydrogen 2.854 N/A THR 166.A OG1 ASN 162.A O no hydrogen 2.830 N/A SER 167.A N.A GLY 163.A O no hydrogen 3.278 N/A SER 167.A N.A SER 164.A O no hydrogen 3.300 N/A SER 167.A N.B GLY 163.A O no hydrogen 3.301 N/A SER 167.A N.B SER 164.A O no hydrogen 3.329 N/A SER 167.A OG.B SER 164.A O no hydrogen 2.870 N/A VAL 168.A N LEU 165.A O no hydrogen 3.152 N/A LEU 169.A N THR 166.A O no hydrogen 3.017 N/A THR 170.A N THR 166.A O no hydrogen 3.331 N/A THR 170.A OG1 THR 166.A O no hydrogen 3.430 N/A VAL 171.A N SER 167.A O.A no hydrogen 2.808 N/A VAL 171.A N SER 167.A O.B no hydrogen 2.872 N/A SER 172.A N VAL 168.A O no hydrogen 2.932 N/A THR 173.A N LEU 169.A O no hydrogen 2.963 N/A THR 173.A OG1 LEU 169.A O no hydrogen 2.725 N/A GLY 174.A N THR 170.A O no hydrogen 2.849 N/A VAL 175.A N THR 173.A OG1 no hydrogen 3.091 N/A VAL 178.A N PHE 143.A O no hydrogen 2.940 N/A ILE 180.A N SER 145.A O no hydrogen 3.021 N/A LYS 182.A N ASN 45.A OD1 no hydrogen 2.836 N/A LYS 182.A NZ ASP 11.A OD1 no hydrogen 2.610 N/A LYS 182.A NZ ASP 11.A OD2 no hydrogen 3.064 N/A LYS 182.A NZ ASP 13.A OD2 no hydrogen 2.878 N/A LYS 182.A NZ ASP 212.A OD1 no hydrogen 3.006 N/A GLU 184.A N GLY 181.A O no hydrogen 2.912 N/A SER 185.A OG GLU 189.A OE2 no hydrogen 3.102 N/A ILE 187.A N ILE 180.A O no hydrogen 3.018 N/A GLU 189.A N SER 185.A O no hydrogen 2.876 N/A GLN 190.A N ILE 186.A O no hydrogen 2.873 N/A GLN 190.A NE2 GLN 83.A OE1 no hydrogen 2.839 N/A ALA 191.A N ILE 187.A O no hydrogen 2.955 N/A MET 192.A N MET 188.A O no hydrogen 3.004 N/A ARG 193.A N GLU 189.A O no hydrogen 3.201 N/A VAL 194.A N GLN 190.A O no hydrogen 3.429 N/A LEU 195.A N ALA 191.A O no hydrogen 2.869 N/A GLY 196.A N MET 192.A O no hydrogen 2.823 N/A THR 197.A OG1 THR 202.A OG1 no hydrogen 2.661 N/A ASP 198.A N GLU 201.A OE2 no hydrogen 2.656 N/A GLU 201.A N ASP 198.A O no hydrogen 3.124 N/A THR 202.A OG1 THR 197.A OG1 no hydrogen 2.661 N/A THR 202.A OG1 ASP 198.A O no hydrogen 2.573 N/A LEU 203.A N GLY 7.A O no hydrogen 2.998 N/A MET 204.A N ASP 222.A O no hydrogen 3.121 N/A VAL 205.A N LEU 9.A O no hydrogen 2.818 N/A GLY 206.A N LEU 224.A O no hydrogen 3.059 N/A ASP 207.A N ASP 212.A OD2 no hydrogen 2.987 N/A ASN 208.A N ASP 212.A OD2 no hydrogen 3.345 N/A TYR 209.A OH GLU 235.A O no hydrogen 2.579 N/A THR 211.A N ASN 208.A OD1 no hydrogen 3.198 N/A THR 211.A OG1 ASN 208.A OD1 no hydrogen 2.823 N/A THR 211.A OG1 ASP 212.A OD1 no hydrogen 3.068 N/A ILE 213.A N ASN 208.A O no hydrogen 3.172 N/A MET 214.A N TYR 209.A O no hydrogen 2.969 N/A ALA 215.A N THR 211.A O no hydrogen 3.047 N/A GLY 216.A N ASP 212.A O no hydrogen 3.295 N/A ILE 217.A N ILE 213.A O no hydrogen 2.849 N/A ASN 218.A N MET 214.A O no hydrogen 2.780 N/A ASN 218.A ND2 PRO 183.A O no hydrogen 2.816 N/A ALA 219.A N ALA 215.A O no hydrogen 3.017 N/A GLY 220.A N ILE 217.A O no hydrogen 3.030 N/A MET 221.A N GLY 216.A O no hydrogen 2.984 N/A THR 223.A N THR 238.A OG1 no hydrogen 2.942 N/A LEU 224.A N MET 204.A O no hydrogen 2.776 N/A LEU 225.A N HIS 239.A O no hydrogen 2.870 N/A VAL 226.A N GLY 206.A O no hydrogen 2.800 N/A HIS 227.A N ILE 241.A O no hydrogen 2.767 N/A THR 228.A OG1 THR 15.A OG1 no hydrogen 2.702 N/A MET 234.A N THR 231.A O no hydrogen 2.957 N/A THR 238.A N THR 223.A OG1 no hydrogen 3.098 N/A HIS 239.A N THR 223.A O no hydrogen 2.964 N/A HIS 239.A NE2 TYR 5.A OH no hydrogen 3.019 N/A ILE 241.A N LEU 225.A O no hydrogen 2.983 N/A ASP 242.A N GLU 246.A OE2 no hydrogen 2.770 N/A SER 243.A N GLU 246.A OE2 no hydrogen 2.996 N/A SER 243.A OG GLU 25.A OE1 no hydrogen 3.010 N/A THR 245.A N SER 243.A OG no hydrogen 3.101 N/A GLU 246.A N SER 243.A O no hydrogen 2.888 N/A TRP 247.A N LEU 244.A O no hydrogen 3.001 N/A TRP 247.A NE1 TYR 8.A OH no hydrogen 2.787 N/A ILE 248.A N THR 245.A O no hydrogen 3.201 N/A ILE 251.A N TRP 247.A O no hydrogen 3.109 N/A GLU 252.A N ILE 248.A O no hydrogen 2.983 N/A GLY 253.A N PRO 249.A O no hydrogen 2.808 N/A HIS 254.A N ILE 251.A O no hydrogen 3.091 N/A HIS 255.A N ILE 251.A O no hydrogen 2.858 N/A