Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pd1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 8.A N GLU 232.A O no hydrogen 2.961 N/A TYR 8.A OH ASP 152.A OD1 no hydrogen 2.645 N/A LYS 9.A NZ ASP 11.A OD2 no hydrogen 2.843 N/A TYR 12.A N SER 83.A OG no hydrogen 3.305 N/A GLU 14.A N LYS 81.A O no hydrogen 3.029 N/A CYS 18.A N GLU 55.A O no hydrogen 3.005 N/A ILE 19.A N VAL 86.A O no hydrogen 2.871 N/A ILE 20.A N ARG 57.A O no hydrogen 2.916 N/A ILE 21.A N VAL 88.A O no hydrogen 2.835 N/A ASN 22.A N LYS 59.A O no hydrogen 2.794 N/A ASN 22.A ND2 THR 38.A O no hydrogen 3.285 N/A ASN 23.A N LEU 90.A O no hydrogen 2.973 N/A ASN 23.A ND2 LEU 62.A O no hydrogen 3.179 N/A ASN 23.A ND2 PHE 99.A O no hydrogen 3.024 N/A LYS 24.A N ASP 61.A OD1 no hydrogen 2.831 N/A LYS 24.A NZ ASP 39.A OD2 no hydrogen 2.702 N/A ASN 25.A N ASP 61.A OD1 no hydrogen 2.962 N/A ASN 25.A ND2 ASP 61.A OD2 no hydrogen 3.124 N/A HIS 27.A N THR 101.A O no hydrogen 2.901 N/A THR 30.A N HIS 27.A O no hydrogen 3.054 N/A THR 30.A OG1 HIS 27.A O no hydrogen 2.723 N/A GLY 31.A N LYS 28.A O no hydrogen 3.177 N/A MET 32.A N THR 30.A OG1 no hydrogen 3.256 N/A THR 33.A OG1 HIS 92.A NE2 no hydrogen 3.407 N/A ARG 35.A N LYS 24.A O no hydrogen 3.023 N/A ARG 35.A NH1 ASN 23.A O no hydrogen 2.989 N/A ARG 35.A NH1 THR 38.A OG1 no hydrogen 2.961 N/A SER 36.A N SER 34.A O no hydrogen 3.080 N/A THR 38.A N ARG 35.A O no hydrogen 3.147 N/A VAL 40.A N GLY 37.A O no hydrogen 3.182 N/A ASP 41.A N GLY 37.A O no hydrogen 3.460 N/A ALA 42.A N THR 38.A O no hydrogen 2.914 N/A ALA 43.A N ASP 39.A O no hydrogen 3.000 N/A ASN 44.A N VAL 40.A O no hydrogen 2.990 N/A LEU 45.A N ASP 41.A O no hydrogen 2.931 N/A ARG 46.A N ALA 42.A O no hydrogen 3.022 N/A ARG 46.A NH1 ASN 58.A OD1 no hydrogen 2.824 N/A GLU 47.A N ALA 43.A O no hydrogen 3.166 N/A THR 48.A N ASN 44.A O no hydrogen 2.973 N/A THR 48.A OG1 ASN 44.A O no hydrogen 2.675 N/A PHE 49.A N LEU 45.A O no hydrogen 2.942 N/A ARG 50.A N ARG 46.A O no hydrogen 3.048 N/A ARG 50.A NE GLU 47.A OE1 no hydrogen 3.010 N/A ARG 50.A NH2 GLU 47.A OE1 no hydrogen 3.420 N/A ARG 50.A NH2 GLU 47.A OE2 no hydrogen 2.811 N/A ASN 51.A N GLU 47.A O no hydrogen 3.141 N/A ASN 51.A ND2 GLU 47.A OE2 no hydrogen 2.876 N/A LEU 52.A N PHE 49.A O no hydrogen 3.225 N/A LYS 53.A N ARG 50.A O no hydrogen 2.970 N/A TYR 54.A N PHE 49.A O no hydrogen 2.963 N/A TYR 54.A OH SER 84.A OG no hydrogen 2.695 N/A GLU 55.A N GLY 16.A O no hydrogen 2.897 N/A ARG 57.A N CYS 18.A O no hydrogen 2.958 N/A ARG 57.A NH1 GLU 77.A OE2 no hydrogen 2.794 N/A ARG 57.A NH2 GLU 55.A OE2 no hydrogen 3.277 N/A ARG 57.A NH2 GLU 77.A OE1 no hydrogen 3.258 N/A ARG 57.A NH2 GLU 77.A OE2 no hydrogen 3.516 N/A ASN 58.A ND2 ALA 42.A O no hydrogen 3.645 N/A LYS 59.A N ILE 20.A O no hydrogen 2.809 N/A ASN 60.A ND2 ASN 22.A OD1 no hydrogen 3.057 N/A ASP 61.A N ASN 22.A O no hydrogen 2.963 N/A LEU 62.A N ASN 23.A OD1 no hydrogen 2.868 N/A THR 63.A N GLU 66.A OE1 no hydrogen 2.971 N/A THR 63.A OG1 GLU 65.A OE2 no hydrogen 3.521 N/A THR 63.A OG1 GLU 66.A OE1 no hydrogen 3.252 N/A ARG 64.A N ASN 102.A OD1 no hydrogen 2.823 N/A GLU 65.A N GLU 65.A OE2 no hydrogen 3.009 N/A GLU 66.A N THR 63.A OG1 no hydrogen 3.107 N/A ILE 67.A N THR 63.A O no hydrogen 2.948 N/A VAL 68.A N ARG 64.A O no hydrogen 3.208 N/A GLU 69.A N GLU 65.A O no hydrogen 2.989 N/A LEU 70.A N GLU 66.A O no hydrogen 2.926 N/A MET 71.A N ILE 67.A O no hydrogen 3.004 N/A ARG 72.A N VAL 68.A O no hydrogen 2.963 N/A ARG 72.A NE GLU 69.A OE2 no hydrogen 3.481 N/A ARG 72.A NH2 GLU 69.A OE1 no hydrogen 2.817 N/A ASP 73.A N GLU 69.A O no hydrogen 2.943 N/A VAL 74.A N LEU 70.A O no hydrogen 2.890 N/A SER 75.A N MET 71.A O no hydrogen 3.056 N/A SER 75.A OG MET 71.A O no hydrogen 3.243 N/A SER 75.A OG ARG 72.A O no hydrogen 2.721 N/A LYS 76.A N ARG 72.A O no hydrogen 3.097 N/A LYS 76.A N ASP 73.A O no hydrogen 3.224 N/A GLU 77.A N VAL 74.A O no hydrogen 3.263 N/A HIS 79.A N SER 121.A OG no hydrogen 2.972 N/A HIS 79.A NE2 VAL 74.A O no hydrogen 2.727 N/A SER 80.A N ASP 78.A OD1 no hydrogen 3.310 N/A SER 80.A OG ASP 78.A OD1 no hydrogen 2.955 N/A SER 80.A OG ASP 78.A OD2 no hydrogen 3.385 N/A LYS 81.A NZ ASP 78.A OD2 no hydrogen 3.150 N/A ARG 82.A N HIS 79.A O no hydrogen 2.981 N/A ARG 82.A NE GLU 14.A OE1 no hydrogen 3.244 N/A ARG 82.A NH1 GLU 77.A OE1 no hydrogen 3.032 N/A ARG 82.A NH1 HIS 79.A ND1 no hydrogen 3.121 N/A ARG 82.A NH2 GLU 77.A OE1 no hydrogen 3.341 N/A SER 83.A N GLU 14.A O no hydrogen 2.928 N/A SER 83.A OG GLU 14.A O no hydrogen 3.260 N/A SER 84.A N MET 15.A O no hydrogen 2.873 N/A SER 84.A OG MET 15.A O no hydrogen 2.861 N/A SER 84.A OG TYR 54.A OH no hydrogen 2.695 N/A PHE 85.A N PRO 126.A O no hydrogen 3.071 N/A VAL 86.A N LEU 17.A O no hydrogen 2.925 N/A CYS 87.A N LEU 128.A O no hydrogen 2.836 N/A VAL 88.A N ILE 19.A O no hydrogen 2.685 N/A LEU 89.A N ILE 130.A O no hydrogen 2.807 N/A LEU 90.A N ILE 21.A O no hydrogen 2.926 N/A SER 91.A N GLN 132.A O no hydrogen 3.139 N/A SER 91.A OG PHE 99.A O no hydrogen 2.589 N/A HIS 92.A N SER 91.A OG no hydrogen 2.715 N/A HIS 92.A NE2 THR 33.A O no hydrogen 2.840 N/A GLU 94.A N ILE 97.A O no hydrogen 3.197 N/A ILE 97.A N GLU 94.A O no hydrogen 3.001 N/A ILE 98.A N VAL 105.A O no hydrogen 2.965 N/A PHE 99.A N HIS 92.A O no hydrogen 2.906 N/A GLY 100.A N GLY 103.A O no hydrogen 2.640 N/A THR 101.A N LEU 62.A O no hydrogen 2.920 N/A ASN 102.A ND2 GLU 65.A OE2 no hydrogen 2.895 N/A GLY 103.A N GLY 100.A O no hydrogen 3.370 N/A VAL 105.A N ILE 98.A O no hydrogen 2.806 N/A LEU 107.A N GLY 96.A O no hydrogen 2.893 N/A LYS 108.A NZ GLU 150.A OE2 no hydrogen 2.772 N/A LYS 109.A N ASP 106.A O no hydrogen 3.107 N/A THR 111.A N LEU 107.A O no hydrogen 3.005 N/A THR 111.A OG1 LEU 107.A O no hydrogen 3.031 N/A THR 111.A OG1 LYS 108.A O no hydrogen 3.386 N/A ASN 112.A N LYS 108.A O no hydrogen 2.865 N/A PHE 114.A N THR 111.A O no hydrogen 3.081 N/A ARG 115.A N ASN 112.A O no hydrogen 3.191 N/A ARG 115.A NE ASP 117.A OD1 no hydrogen 2.974 N/A ARG 115.A NH2 ASP 117.A OD1 no hydrogen 3.443 N/A ARG 115.A NH2 ASP 117.A OD2 no hydrogen 2.872 N/A GLY 116.A N VAL 149.A O no hydrogen 3.201 N/A ARG 118.A N ARG 115.A O no hydrogen 2.929 N/A CYS 119.A N ARG 115.A O no hydrogen 3.000 N/A CYS 119.A SG SER 75.A O no hydrogen 3.389 N/A SER 121.A OG GLU 77.A O no hydrogen 3.563 N/A LEU 122.A N CYS 119.A O no hydrogen 3.162 N/A THR 123.A N ARG 120.A O no hydrogen 3.306 N/A THR 123.A OG1 GLY 116.A O no hydrogen 2.760 N/A THR 123.A OG1 CYS 119.A O no hydrogen 3.410 N/A THR 123.A OG1 ARG 120.A O no hydrogen 3.121 N/A LYS 125.A N LEU 122.A O no hydrogen 3.023 N/A LYS 125.A NZ HIS 79.A O no hydrogen 2.892 N/A LYS 125.A NZ SER 80.A O no hydrogen 3.193 N/A LYS 125.A NZ ARG 82.A O no hydrogen 2.785 N/A LYS 125.A NZ SER 121.A O no hydrogen 3.035 N/A LYS 127.A N ASP 152.A O no hydrogen 2.839 N/A LYS 127.A NZ LEU 122.A O no hydrogen 2.764 N/A LYS 127.A NZ LYS 125.A O no hydrogen 2.791 N/A LEU 128.A N PHE 85.A O no hydrogen 2.806 N/A PHE 129.A N LEU 154.A O no hydrogen 2.811 N/A ILE 130.A N CYS 87.A O no hydrogen 2.862 N/A ILE 131.A N ALA 156.A O no hydrogen 3.001 N/A GLN 132.A N LEU 89.A O no hydrogen 2.817 N/A GLN 132.A NE2 SER 165.A OG no hydrogen 2.924 N/A CYS 134.A SG SER 165.A O no hydrogen 3.735 N/A ARG 135.A N TYR 163.A O no hydrogen 2.860 N/A ARG 135.A NE GLU 95.A OE2 no hydrogen 3.330 N/A ARG 135.A NH1 THR 159.A O no hydrogen 3.182 N/A ARG 135.A NH2 GLU 95.A OE2 no hydrogen 2.825 N/A GLU 138.A N GLY 162.A O no hydrogen 2.976 N/A CYS 141.A SG GLY 142.A O no hydrogen 3.456 N/A GLY 142.A N ASP 140.A OD1 no hydrogen 3.080 N/A ALA 151.A N PRO 148.A O no hydrogen 3.208 N/A ASP 152.A N MET 228.A O no hydrogen 2.872 N/A LEU 154.A N LYS 127.A O no hydrogen 2.894 N/A TYR 155.A N VAL 226.A O no hydrogen 2.756 N/A ALA 156.A N PHE 129.A O no hydrogen 2.810 N/A TYR 157.A N CYS 224.A O no hydrogen 2.946 N/A SER 158.A N ILE 131.A O no hydrogen 3.025 N/A SER 158.A OG ILE 131.A O no hydrogen 3.316 N/A SER 158.A OG SER 165.A OG no hydrogen 2.817 N/A THR 159.A OG1 TYR 164.A O no hydrogen 2.882 N/A GLY 162.A N GLU 95.A OE1 no hydrogen 2.984 N/A TYR 163.A N ALA 160.A O no hydrogen 3.142 N/A TYR 164.A N GLU 138.A O no hydrogen 2.933 N/A SER 165.A OG SER 158.A OG no hydrogen 2.817 N/A TRP 166.A N GLN 221.A OE1 no hydrogen 2.695 N/A ARG 167.A NH1 SER 36.A O no hydrogen 2.865 N/A ASN 168.A N GLY 172.A O no hydrogen 3.018 N/A LYS 170.A N ASN 168.A OD1 no hydrogen 3.015 N/A ASP 171.A N ASN 168.A OD1 no hydrogen 2.874 N/A GLY 172.A N ASN 168.A O no hydrogen 2.889 N/A SER 173.A N ASP 41.A OD1 no hydrogen 2.887 N/A SER 173.A N ASP 41.A OD2 no hydrogen 3.164 N/A SER 173.A OG ASP 41.A OD2 no hydrogen 2.684 N/A TRP 174.A N TRP 166.A O no hydrogen 3.450 N/A ILE 176.A N SER 173.A OG no hydrogen 3.315 N/A GLN 177.A N SER 173.A O no hydrogen 2.949 N/A SER 178.A N TRP 174.A O no hydrogen 3.085 N/A SER 178.A OG TRP 174.A O no hydrogen 2.837 N/A LEU 179.A N PHE 175.A O no hydrogen 2.728 N/A CYS 180.A N ILE 176.A O no hydrogen 2.983 N/A CYS 180.A SG THR 48.A OG1 no hydrogen 3.410 N/A CYS 180.A SG ILE 176.A O no hydrogen 3.380 N/A ALA 181.A N GLN 177.A O no hydrogen 3.172 N/A MET 182.A N SER 178.A O no hydrogen 2.968 N/A LEU 183.A N LEU 179.A O no hydrogen 2.953 N/A LYS 184.A N CYS 180.A O no hydrogen 3.006 N/A GLN 185.A N ALA 181.A O no hydrogen 3.208 N/A TYR 186.A N MET 182.A O no hydrogen 2.892 N/A ALA 187.A N LEU 183.A O no hydrogen 3.040 N/A LYS 189.A N TYR 186.A O no hydrogen 3.026 N/A LYS 189.A NZ GLN 185.A O no hydrogen 3.193 N/A LEU 190.A N TYR 186.A O no hydrogen 2.793 N/A PHE 192.A N LEU 233.A O no hydrogen 2.849 N/A MET 193.A N GLU 191.A OE1 no hydrogen 2.926 N/A HIS 194.A N GLU 191.A O no hydrogen 3.004 N/A ILE 195.A N GLU 191.A O no hydrogen 3.045 N/A LEU 196.A N PHE 192.A O no hydrogen 2.884 N/A THR 197.A N MET 193.A O no hydrogen 3.018 N/A THR 197.A OG1 MET 193.A O no hydrogen 2.701 N/A ARG 198.A N HIS 194.A O no hydrogen 3.189 N/A VAL 199.A N ILE 195.A O no hydrogen 3.083 N/A ASN 200.A N LEU 196.A O no hydrogen 2.965 N/A ARG 201.A N THR 197.A O no hydrogen 3.071 N/A ALA 202.A N ARG 198.A O no hydrogen 2.959 N/A VAL 203.A N VAL 199.A O no hydrogen 3.009 N/A ALA 204.A N ASN 200.A O no hydrogen 3.059 N/A THR 205.A N ARG 201.A O no hydrogen 2.902 N/A THR 205.A OG1 ARG 201.A O no hydrogen 2.749 N/A GLU 206.A N ALA 202.A O no hydrogen 2.926 N/A SER 209.A N LYS 219.A O no hydrogen 2.946 N/A SER 209.A OG PHE 216.A O no hydrogen 2.786 N/A SER 211.A N HIS 217.A ND1 no hydrogen 3.266 N/A SER 211.A OG ASP 213.A O no hydrogen 3.401 N/A ASP 213.A N SER 211.A OG no hydrogen 3.096 N/A THR 215.A N ASP 213.A OD1 no hydrogen 3.164 N/A THR 215.A OG1 ASP 213.A OD1 no hydrogen 3.527 N/A PHE 216.A N ASP 213.A O no hydrogen 3.056 N/A HIS 217.A N ALA 214.A O no hydrogen 3.471 N/A ALA 218.A N SER 209.A O no hydrogen 3.018 N/A LYS 219.A N SER 209.A OG no hydrogen 2.894 N/A LYS 220.A N ASP 140.A O no hydrogen 2.831 N/A LYS 220.A NZ ALA 204.A O no hydrogen 2.909 N/A LYS 220.A NZ PHE 207.A O no hydrogen 2.802 N/A GLN 221.A NE2 SER 158.A O no hydrogen 2.763 N/A CYS 224.A N TYR 157.A O no hydrogen 2.964 N/A VAL 226.A N TYR 155.A O no hydrogen 2.823 N/A MET 228.A N PHE 153.A O no hydrogen 2.883 N/A LEU 229.A N SER 227.A OG no hydrogen 3.141 N/A THR 230.A N TYR 8.A OH no hydrogen 2.984 N/A THR 230.A OG1 ASP 152.A OD1 no hydrogen 2.688 N/A LYS 231.A NZ ASP 5.A OD2 no hydrogen 3.333 N/A GLU 232.A N ASN 6.A O no hydrogen 2.914 N/A LEU 233.A N GLU 191.A OE2 no hydrogen 2.762 N/A TYR 234.A OH GLU 232.A OE1 no hydrogen 2.756 N/A