Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pja_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N SER 268.A OXT no hydrogen 2.842 N/A LYS 3.A NZ GLN 69.A O no hydrogen 2.789 N/A LYS 3.A NZ ASP 96.A OD2 no hydrogen 2.688 N/A VAL 5.A N VAL 33.A O no hydrogen 3.028 N/A ILE 6.A N HIS 72.A O no hydrogen 2.901 N/A VAL 7.A N THR 35.A O no hydrogen 2.894 N/A VAL 8.A N ILE 74.A O no hydrogen 2.956 N/A HIS 9.A ND1 GLY 10.A O no hydrogen 2.577 N/A HIS 9.A NE2 LEU 39.A O no hydrogen 2.748 N/A PHE 12.A N SER 45.A OG no hydrogen 2.783 N/A SER 15.A N ASP 38.A OD1 no hydrogen 2.817 N/A SER 15.A OG ASP 38.A OD1 no hydrogen 3.259 N/A SER 15.A OG ASP 38.A OD2 no hydrogen 2.695 N/A TYR 16.A N SER 14.A OG no hydrogen 3.236 N/A SER 17.A N SER 14.A O no hydrogen 3.284 N/A SER 17.A OG ASP 13.A OD1 no hydrogen 2.490 N/A PHE 18.A N SER 15.A O no hydrogen 3.024 N/A ARG 19.A N TYR 16.A O no hydrogen 3.454 N/A ARG 19.A NE TYR 16.A O no hydrogen 3.084 N/A LEU 22.A N PHE 18.A O no hydrogen 3.053 N/A GLU 23.A N ARG 19.A O no hydrogen 3.125 N/A TYR 24.A N HIS 20.A O no hydrogen 3.059 N/A ILE 25.A N LEU 21.A O no hydrogen 3.031 N/A ASN 26.A N LEU 22.A O no hydrogen 2.913 N/A GLU 27.A N GLU 23.A O no hydrogen 2.706 N/A THR 28.A N ILE 25.A O no hydrogen 3.254 N/A THR 28.A OG1 TYR 24.A O no hydrogen 2.764 N/A THR 28.A OG1 ILE 25.A O no hydrogen 3.366 N/A THR 28.A OG1 TYR 259.A OH no hydrogen 2.642 N/A HIS 29.A N ILE 25.A O no hydrogen 2.578 N/A THR 32.A N HIS 29.A O no hydrogen 3.231 N/A THR 32.A OG1 HIS 29.A O no hydrogen 2.555 N/A THR 35.A N VAL 5.A O no hydrogen 2.732 N/A LEU 37.A N VAL 7.A O no hydrogen 3.229 N/A SER 45.A N GLY 42.A O no hydrogen 3.342 N/A SER 45.A OG GLY 42.A O no hydrogen 2.827 N/A LEU 46.A N ARG 43.A O no hydrogen 3.049 N/A ARG 47.A N GLU 44.A O no hydrogen 3.144 N/A TRP 50.A NE1 SER 159.A O no hydrogen 2.781 N/A GLU 51.A N PRO 48.A O no hydrogen 2.975 N/A GLN 52.A N PRO 48.A O no hydrogen 3.181 N/A GLN 52.A NE2 SER 45.A O no hydrogen 2.957 N/A GLN 52.A NE2 ARG 47.A O no hydrogen 2.877 N/A VAL 53.A N LEU 49.A O no hydrogen 2.765 N/A GLN 54.A N TRP 50.A O no hydrogen 3.244 N/A GLY 55.A N GLU 51.A O no hydrogen 3.046 N/A PHE 56.A N GLN 52.A O no hydrogen 2.855 N/A ARG 57.A N VAL 53.A O no hydrogen 2.924 N/A GLU 58.A N GLN 54.A O no hydrogen 2.944 N/A ALA 59.A N GLY 55.A O no hydrogen 3.167 N/A VAL 60.A N PHE 56.A O no hydrogen 2.688 N/A VAL 61.A N ARG 57.A O no hydrogen 2.964 N/A MET 64.A N VAL 60.A O no hydrogen 2.980 N/A ALA 65.A N VAL 61.A O no hydrogen 2.895 N/A LYS 66.A N PRO 62.A O no hydrogen 3.287 N/A LYS 66.A N ILE 63.A O no hydrogen 3.304 N/A LYS 66.A NZ PRO 62.A O no hydrogen 3.545 N/A ALA 67.A N MET 64.A O no hydrogen 2.942 N/A GLY 70.A N ALA 67.A O no hydrogen 3.376 N/A VAL 71.A N ASN 94.A O no hydrogen 3.089 N/A HIS 72.A N PRO 4.A O no hydrogen 2.876 N/A HIS 72.A NE2 SER 268.A OG no hydrogen 3.106 N/A HIS 72.A NE2 SER 268.A OXT no hydrogen 2.903 N/A LEU 73.A N SER 97.A O no hydrogen 2.794 N/A ILE 74.A N ILE 6.A O no hydrogen 2.954 N/A CYS 75.A N ILE 99.A O no hydrogen 2.905 N/A TYR 76.A N VAL 8.A O no hydrogen 2.801 N/A TYR 76.A OH HIS 249.A O no hydrogen 2.510 N/A SER 77.A N LEU 101.A O no hydrogen 2.975 N/A SER 77.A OG HIS 249.A NE2 no hydrogen 2.779 N/A GLN 78.A NE2 SER 140.A OG no hydrogen 2.907 N/A GLN 78.A NE2 TYR 144.A OH no hydrogen 2.750 N/A GLY 79.A N TYR 76.A O no hydrogen 2.710 N/A GLY 80.A N SER 77.A O no hydrogen 2.732 N/A LEU 81.A N GLN 78.A O no hydrogen 2.976 N/A CYS 83.A N GLY 79.A O no hydrogen 2.928 N/A CYS 83.A SG GLY 79.A O no hydrogen 3.359 N/A ARG 84.A N GLY 80.A O no hydrogen 2.928 N/A ARG 84.A NE GLN 105.A OE1 no hydrogen 2.745 N/A ARG 84.A NH1 ASN 165.A OD1 no hydrogen 3.034 N/A ARG 84.A NH2 GLN 105.A O no hydrogen 2.872 N/A ARG 84.A NH2 ASN 165.A OD1 no hydrogen 2.758 N/A ALA 85.A N LEU 81.A O no hydrogen 2.983 N/A LEU 86.A N VAL 82.A O no hydrogen 2.864 N/A LEU 87.A N CYS 83.A O no hydrogen 2.799 N/A SER 88.A N ARG 84.A O no hydrogen 2.973 N/A SER 88.A N ALA 85.A O no hydrogen 2.947 N/A SER 88.A OG ARG 84.A O no hydrogen 2.782 N/A VAL 89.A N ALA 85.A O no hydrogen 2.842 N/A MET 90.A N LEU 86.A O no hydrogen 3.168 N/A HIS 93.A ND1 MET 90.A O no hydrogen 3.094 N/A ASN 94.A ND2 MET 64.A O no hydrogen 3.022 N/A ASP 96.A N VAL 71.A O no hydrogen 2.823 N/A SER 97.A N HIS 72.A ND1 no hydrogen 2.963 N/A SER 97.A OG TRP 266.A O no hydrogen 2.685 N/A PHE 98.A N HIS 185.A O no hydrogen 2.806 N/A ILE 99.A N LEU 73.A O no hydrogen 2.717 N/A SER 100.A N VAL 187.A O no hydrogen 2.779 N/A SER 100.A OG SER 103.A OG no hydrogen 3.082 N/A LEU 101.A N CYS 75.A O no hydrogen 2.863 N/A SER 102.A N ILE 189.A O no hydrogen 2.819 N/A SER 102.A OG ASP 194.A OD2 no hydrogen 2.780 N/A SER 103.A OG SER 77.A O no hydrogen 2.878 N/A SER 103.A OG SER 100.A OG no hydrogen 3.082 N/A GLN 105.A NE2 SER 100.A OG no hydrogen 2.760 N/A MET 106.A N SER 202.A OG no hydrogen 2.867 N/A GLY 107.A N PRO 104.A O no hydrogen 2.746 N/A GLN 108.A N TYR 144.A O no hydrogen 2.966 N/A GLN 108.A NE2 VAL 196.A O no hydrogen 2.956 N/A TYR 109.A N THR 198.A O no hydrogen 2.776 N/A LEU 115.A N THR 112.A OG1 no hydrogen 2.979 N/A LYS 116.A N THR 112.A O no hydrogen 2.816 N/A TRP 117.A N ASP 113.A O no hydrogen 2.865 N/A LEU 118.A N TYR 114.A O no hydrogen 2.784 N/A PHE 119.A N LEU 115.A O no hydrogen 2.693 N/A SER 122.A N PHE 119.A O no hydrogen 3.048 N/A ARG 124.A NE TYR 109.A O no hydrogen 3.396 N/A ARG 124.A NH2 TYR 109.A O no hydrogen 2.876 N/A ASN 126.A N MET 123.A O no hydrogen 3.085 N/A LEU 127.A N MET 123.A O no hydrogen 2.981 N/A ARG 129.A N ASN 126.A O no hydrogen 2.604 N/A ARG 129.A NE TYR 128.A OH no hydrogen 2.760 N/A ARG 129.A NH2 TYR 128.A OH no hydrogen 3.428 N/A ILE 130.A N LEU 127.A O no hydrogen 2.653 N/A CYS 131.A N LEU 127.A O no hydrogen 2.694 N/A TYR 132.A N TYR 128.A O no hydrogen 3.000 N/A TYR 132.A OH TRP 145.A O no hydrogen 2.452 N/A SER 133.A OG ILE 130.A O no hydrogen 2.774 N/A GLY 136.A N SER 133.A OG no hydrogen 2.908 N/A GLN 137.A N SER 133.A O no hydrogen 2.920 N/A GLN 137.A NE2 CYS 131.A O no hydrogen 2.810 N/A GLN 137.A NE2 CYS 142.A O no hydrogen 3.235 N/A GLU 138.A N TRP 135.A O no hydrogen 2.999 N/A PHE 139.A N GLY 136.A O no hydrogen 2.971 N/A SER 140.A N LEU 46.A O no hydrogen 2.745 N/A SER 140.A OG SER 45.A O no hydrogen 3.146 N/A ASN 143.A N PHE 139.A O no hydrogen 3.188 N/A ASN 143.A N SER 140.A O no hydrogen 2.842 N/A TYR 144.A N ILE 141.A O no hydrogen 3.060 N/A TRP 145.A N CYS 142.A O no hydrogen 3.259 N/A HIS 146.A N GLN 108.A O no hydrogen 2.871 N/A HIS 146.A ND1 MET 106.A O no hydrogen 2.857 N/A ASP 147.A N TYR 132.A OH no hydrogen 2.945 N/A HIS 149.A N ASP 147.A OD1 no hydrogen 2.746 N/A HIS 149.A NE2 GLU 212.A OE2 no hydrogen 2.691 N/A HIS 150.A N ASP 147.A O no hydrogen 3.164 N/A TYR 154.A N HIS 150.A O no hydrogen 2.916 N/A TYR 154.A OH GLU 167.A OE2 no hydrogen 2.594 N/A LEU 155.A N ASP 151.A O no hydrogen 2.932 N/A ASN 156.A N ASP 152.A O no hydrogen 3.090 N/A ALA 157.A N LEU 153.A O no hydrogen 2.610 N/A SER 158.A N TYR 154.A O no hydrogen 2.835 N/A SER 159.A N GLN 137.A OE1 no hydrogen 3.051 N/A SER 159.A OG GLN 137.A OE1 no hydrogen 3.347 N/A SER 159.A OG ASN 143.A OD1 no hydrogen 3.491 N/A LEU 161.A N ASN 143.A O no hydrogen 2.993 N/A ALA 162.A N SER 158.A OG no hydrogen 3.186 N/A ILE 164.A N PHE 160.A O no hydrogen 2.956 N/A ASN 165.A N LEU 161.A O no hydrogen 3.024 N/A ASN 165.A ND2 GLU 167.A OE2 no hydrogen 3.187 N/A GLY 166.A N LEU 163.A O no hydrogen 3.019 N/A GLU 167.A N ALA 162.A O no hydrogen 2.963 N/A ARG 168.A N ALA 162.A O no hydrogen 3.281 N/A ARG 168.A NH1 LEU 155.A O no hydrogen 2.904 N/A ARG 168.A NH1 SER 158.A O no hydrogen 2.757 N/A ARG 168.A NH2 SER 158.A O no hydrogen 3.008 N/A ALA 173.A N HIS 170.A O no hydrogen 3.153 N/A TRP 176.A N ASN 172.A O no hydrogen 2.879 N/A ARG 177.A N ALA 173.A O no hydrogen 3.003 N/A ARG 177.A NE ASP 226.A O no hydrogen 3.131 N/A ARG 177.A NE ASP 226.A OD2 no hydrogen 3.070 N/A ARG 177.A NH2 ASP 226.A OD2 no hydrogen 2.936 N/A LYS 178.A N THR 174.A O no hydrogen 2.999 N/A ASN 179.A N VAL 175.A O no hydrogen 2.764 N/A ASN 179.A ND2 SER 88.A O no hydrogen 2.800 N/A PHE 180.A N TRP 176.A O no hydrogen 2.892 N/A LEU 181.A N ARG 177.A O no hydrogen 3.041 N/A ARG 182.A N ASN 179.A O no hydrogen 3.005 N/A ARG 182.A NE HIS 93.A O no hydrogen 3.072 N/A ARG 182.A NH2 HIS 93.A O no hydrogen 2.790 N/A VAL 183.A N PHE 180.A O no hydrogen 3.270 N/A GLY 184.A N ASP 96.A O no hydrogen 2.790 N/A HIS 185.A N ASP 96.A O no hydrogen 2.868 N/A LEU 186.A N ALA 238.A O no hydrogen 2.734 N/A VAL 187.A N PHE 98.A O no hydrogen 2.890 N/A LEU 188.A N VAL 240.A O no hydrogen 2.804 N/A ILE 189.A N SER 100.A O no hydrogen 3.090 N/A ASP 194.A N GLY 191.A O no hydrogen 3.147 N/A VAL 196.A N ASP 194.A OD1 no hydrogen 3.059 N/A ILE 197.A N ASP 194.A OD1 no hydrogen 2.893 N/A THR 198.A N GLN 108.A OE1 no hydrogen 2.862 N/A THR 198.A OG1 VAL 196.A O no hydrogen 2.729 N/A SER 202.A N PRO 199.A O no hydrogen 2.839 N/A SER 202.A OG GLY 107.A O no hydrogen 2.762 N/A SER 203.A N TRP 200.A O no hydrogen 3.063 N/A SER 203.A OG TRP 200.A O no hydrogen 2.351 N/A PHE 204.A N GLN 201.A O no hydrogen 2.643 N/A PHE 205.A N SER 202.A O no hydrogen 3.026 N/A GLY 206.A N GLN 201.A O no hydrogen 2.920 N/A PHE 207.A N LEU 215.A O no hydrogen 3.199 N/A ASN 211.A N ASP 209.A OD1 no hydrogen 3.146 N/A GLU 212.A N ASP 209.A O no hydrogen 2.821 N/A LEU 215.A N PHE 207.A O no hydrogen 2.835 N/A GLU 216.A N GLU 219.A OE2 no hydrogen 2.913 N/A GLU 218.A N GLU 218.A OE2 no hydrogen 2.690 N/A GLU 219.A N GLU 216.A O no hydrogen 2.908 N/A GLN 220.A N MET 217.A O no hydrogen 3.408 N/A GLN 220.A NE2 GLU 216.A O no hydrogen 3.449 N/A TYR 223.A N GLN 220.A O no hydrogen 2.739 N/A LEU 224.A N GLN 220.A O no hydrogen 3.017 N/A ARG 225.A N LEU 221.A O no hydrogen 2.770 N/A ASP 226.A N TYR 223.A O no hydrogen 2.748 N/A SER 227.A N VAL 222.A O no hydrogen 3.281 N/A GLY 229.A N ASP 226.A O no hydrogen 3.331 N/A LYS 231.A NZ LEU 224.A O no hydrogen 2.795 N/A THR 232.A N ASP 226.A OD1 no hydrogen 2.986 N/A THR 232.A OG1 ASP 226.A OD2 no hydrogen 2.754 N/A LEU 233.A N GLY 229.A O no hydrogen 2.757 N/A LEU 234.A N LEU 230.A O no hydrogen 2.905 N/A ALA 235.A N LYS 231.A O no hydrogen 3.040 N/A ARG 236.A N THR 232.A O no hydrogen 3.075 N/A ARG 236.A NH1 LEU 181.A O no hydrogen 2.888 N/A GLY 237.A N LEU 234.A O no hydrogen 2.949 N/A ALA 238.A N LEU 233.A O no hydrogen 2.889 N/A VAL 240.A N LEU 186.A O no hydrogen 2.881 N/A ARG 241.A NH2 GLU 218.A OE1 no hydrogen 2.511 N/A CYS 242.A N LEU 188.A O no hydrogen 2.724 N/A MET 244.A N GLY 190.A O no hydrogen 2.912 N/A SER 248.A OG THR 250.A OG1 no hydrogen 3.324 N/A HIS 249.A NE2 SER 77.A OG no hydrogen 2.779 N/A THR 250.A OG1 SER 248.A OG no hydrogen 3.324 N/A ALA 251.A N SER 248.A O no hydrogen 2.888 N/A TRP 252.A NE1 ASP 194.A OD2 no hydrogen 2.562 N/A HIS 253.A ND1 SER 254.A OG no hydrogen 3.090 N/A SER 254.A N ALA 251.A O no hydrogen 2.967 N/A SER 254.A OG HIS 253.A ND1 no hydrogen 3.090 N/A ARG 256.A NH2 GLU 27.A OE1 no hydrogen 2.601 N/A LEU 258.A N ASN 255.A OD1 no hydrogen 2.820 N/A TYR 259.A N ASN 255.A O no hydrogen 2.933 N/A TYR 259.A OH THR 28.A OG1 no hydrogen 2.642 N/A GLU 260.A N ARG 256.A O no hydrogen 2.856 N/A THR 261.A N THR 257.A O no hydrogen 2.885 N/A THR 261.A OG1 THR 257.A O no hydrogen 2.926 N/A CYS 262.A N LEU 258.A O no hydrogen 2.697 N/A CYS 262.A SG CYS 242.A O no hydrogen 3.690 N/A ILE 263.A N TYR 259.A O no hydrogen 2.928 N/A GLU 264.A N TYR 259.A O no hydrogen 2.696 N/A TRP 266.A N ILE 263.A O no hydrogen 2.949 N/A LEU 267.A N GLU 264.A O no hydrogen 3.120 N/A SER 268.A OG HIS 72.A NE2 no hydrogen 3.106 N/A