Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5cem_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE ALA 5.A O no hydrogen 3.249 N/A ARG 3.A NH2 ASP 6.A OD1 no hydrogen 3.203 N/A ILE 4.A N TYR 7.A O no hydrogen 2.950 N/A TYR 7.A N ILE 4.A O no hydrogen 2.924 N/A TYR 7.A OH GLU 59.A OE2 no hydrogen 2.458 N/A LEU 8.A N LEU 22.A O no hydrogen 2.817 N/A LEU 9.A N SER 2.A O no hydrogen 2.749 N/A LEU 10.A N ARG 20.A O no hydrogen 2.770 N/A ARG 15.A NH1 ARG 15.A O no hydrogen 2.885 N/A SER 19.A N CYS 32.A O no hydrogen 2.747 N/A ARG 20.A N LEU 10.A O no hydrogen 2.752 N/A ARG 20.A NE GLU 29.A OE2 no hydrogen 2.865 N/A ARG 20.A NH2 GLU 29.A OE1 no hydrogen 3.017 N/A ALA 21.A N LEU 30.A O no hydrogen 3.146 N/A LEU 22.A N LEU 8.A O no hydrogen 2.832 N/A CYS 23.A N ARG 28.A O no hydrogen 2.812 N/A CYS 23.A SG.A THR 26.A OG1 no hydrogen 3.560 N/A CYS 23.A SG.B ARG 28.A O no hydrogen 3.692 N/A ILE 24.A N ASP 6.A O no hydrogen 2.894 N/A HIS 25.A NE2 ASP 6.A OD2 no hydrogen 3.080 N/A GLY 27.A N CYS 23.A O no hydrogen 2.815 N/A ARG 28.A N THR 26.A OG1 no hydrogen 3.124 N/A ARG 28.A NH2.A GLU 72.A OE2 no hydrogen 3.281 N/A LEU 30.A N ALA 21.A O no hydrogen 2.792 N/A ARG 31.A N PHE 71.A O no hydrogen 2.710 N/A ARG 31.A NH1 GLU 29.A OE2 no hydrogen 2.874 N/A ARG 31.A NH1 LEU 30.A O no hydrogen 2.851 N/A ARG 31.A NH2 GLU 29.A OE2 no hydrogen 3.456 N/A CYS 32.A N SER 19.A O no hydrogen 2.963 N/A CYS 32.A SG VAL 69.A O no hydrogen 3.926 N/A LYS 33.A N VAL 69.A O no hydrogen 3.003 N/A LYS 33.A NZ LEU 137.A O no hydrogen 2.664 N/A VAL 34.A N HIS 17.A O no hydrogen 3.418 N/A PHE 35.A N ALA 67.A O no hydrogen 2.891 N/A ILE 37.A N THR 65.A O no hydrogen 2.919 N/A LYS 38.A NZ ASP 42.A OD2 no hydrogen 3.257 N/A HIS 39.A NE2 GLU 138.A OE1 no hydrogen 3.042 N/A TYR 40.A N PRO 36.A O no hydrogen 2.998 N/A TYR 40.A OH GLU 248.A OE2 no hydrogen 2.375 N/A GLN 41.A N ILE 37.A O no hydrogen 2.756 N/A ASP 42.A N LYS 38.A O no hydrogen 2.976 N/A LYS 43.A N HIS 39.A O no hydrogen 2.870 N/A ILE 44.A N TYR 40.A O no hydrogen 2.991 N/A ARG 45.A N TYR 40.A O no hydrogen 2.726 N/A ARG 45.A NE GLU 248.A OE2 no hydrogen 2.972 N/A ARG 45.A NH2 GLU 248.A OE1 no hydrogen 3.035 N/A TYR 47.A N ILE 44.A O no hydrogen 3.106 N/A ILE 48.A N ARG 45.A O no hydrogen 2.939 N/A GLN 49.A N ARG 45.A O no hydrogen 3.169 N/A GLN 49.A N PRO 46.A O no hydrogen 3.291 N/A ASN 53.A ND2 ILE 57.A O no hydrogen 2.978 N/A THR 55.A N ASN 53.A OD1 no hydrogen 3.077 N/A THR 55.A OG1 ASN 53.A OD1 no hydrogen 2.971 N/A ILE 57.A N THR 55.A OG1 no hydrogen 3.173 N/A VAL 58.A N PHE 70.A O no hydrogen 2.850 N/A GLU 59.A N PHE 70.A O no hydrogen 3.468 N/A VAL 60.A N PRO 247.A O no hydrogen 3.107 N/A ILE 61.A N TYR 68.A O no hydrogen 2.879 N/A LEU 62.A N TYR 249.A O no hydrogen 2.710 N/A GLY 63.A N LYS 66.A O no hydrogen 2.823 N/A ALA 67.A N PHE 35.A O no hydrogen 2.718 N/A TYR 68.A N ILE 61.A O no hydrogen 2.831 N/A VAL 69.A N LYS 33.A O no hydrogen 2.945 N/A PHE 70.A N GLU 59.A O no hydrogen 2.887 N/A PHE 71.A N ARG 31.A O no hydrogen 2.793 N/A GLU 72.A N GLY 56.A O no hydrogen 2.941 N/A PHE 75.A N PHE 124.A O no hydrogen 2.808 N/A GLY 76.A N ASP 74.A OD1 no hydrogen 2.806 N/A MET 78.A N PHE 122.A O no hydrogen 2.897 N/A SER 80.A N ASP 77.A OD2 no hydrogen 2.991 N/A SER 80.A OG ASP 77.A OD1 no hydrogen 3.054 N/A TYR 81.A N ASP 77.A O no hydrogen 3.039 N/A TYR 81.A OH GLU 92.A OE2 no hydrogen 2.532 N/A VAL 82.A N MET 78.A O no hydrogen 3.036 N/A ARG 83.A N HIS 79.A O no hydrogen 2.972 N/A SER 84.A N SER 80.A O no hydrogen 2.859 N/A SER 84.A OG SER 80.A O no hydrogen 3.358 N/A SER 84.A OG TYR 81.A O no hydrogen 2.947 N/A ARG 85.A N TYR 81.A O no hydrogen 2.867 N/A ARG 87.A NE VAL 181.A O no hydrogen 2.895 N/A LEU 88.A N LEU 179.A O no hydrogen 2.817 N/A ALA 93.A N ARG 89.A O no hydrogen 2.823 N/A ALA 94.A N GLU 90.A O no hydrogen 2.798 N/A ARG 95.A N GLU 91.A O no hydrogen 3.113 N/A ARG 95.A NE GLU 91.A OE2 no hydrogen 2.761 N/A ARG 95.A NH2 GLU 91.A OE1 no hydrogen 2.995 N/A ARG 95.A NH2 GLU 91.A OE2 no hydrogen 3.532 N/A LEU 96.A N GLU 92.A O no hydrogen 2.985 N/A PHE 97.A N ALA 93.A O no hydrogen 2.772 N/A LYS 98.A N ALA 94.A O no hydrogen 2.985 N/A GLN 99.A N ARG 95.A O no hydrogen 3.399 N/A GLN 99.A NE2 THR 130.A O no hydrogen 3.037 N/A ILE 100.A N LEU 96.A O no hydrogen 3.063 N/A VAL 101.A N PHE 97.A O no hydrogen 2.807 N/A SER 102.A N LYS 98.A O no hydrogen 2.831 N/A ALA 103.A N GLN 99.A O no hydrogen 3.073 N/A VAL 104.A N ILE 100.A O no hydrogen 3.135 N/A ALA 105.A N VAL 101.A O no hydrogen 2.795 N/A HIS 106.A N SER 102.A O no hydrogen 3.026 N/A CYS 107.A N ALA 103.A O no hydrogen 3.099 N/A CYS 107.A SG ALA 103.A O no hydrogen 3.390 N/A HIS 108.A N VAL 104.A O no hydrogen 2.856 N/A HIS 108.A NE2 ASP 168.A OD2 no hydrogen 2.830 N/A GLN 109.A N ALA 105.A O no hydrogen 2.924 N/A SER 110.A N CYS 107.A O no hydrogen 3.057 N/A ALA 111.A N HIS 108.A O no hydrogen 3.006 N/A ILE 112.A N CYS 107.A O no hydrogen 2.884 N/A LEU 114.A N ASP 168.A OD2 no hydrogen 2.853 N/A GLY 115.A N ASP 168.A OD1 no hydrogen 2.764 N/A LYS 121.A N LYS 118.A O no hydrogen 3.051 N/A LYS 121.A NZ ASP 116.A OD2 no hydrogen 2.803 N/A LYS 121.A NZ GLU 135.A O no hydrogen 2.939 N/A PHE 122.A N LEU 119.A O no hydrogen 3.134 N/A VAL 123.A N ARG 133.A O no hydrogen 3.031 N/A PHE 124.A N GLY 76.A O no hydrogen 2.894 N/A SER 125.A N GLN 131.A O no hydrogen 2.940 N/A SER 125.A OG GLN 131.A O no hydrogen 3.109 N/A ARG 129.A N THR 126.A O no hydrogen 3.038 N/A ARG 129.A NE PHE 75.A O no hydrogen 2.941 N/A GLN 131.A NE2 LEU 132.A O no hydrogen 3.059 N/A LEU 132.A N GLN 99.A OE1 no hydrogen 2.741 N/A ARG 133.A N VAL 123.A O no hydrogen 2.787 N/A ARG 133.A NH1.A LEU 134.A O no hydrogen 3.540 N/A ARG 133.A NH1.B LYS 73.A O no hydrogen 3.470 N/A ARG 133.A NH2.A GLU 72.A O no hydrogen 3.011 N/A LEU 134.A N ILE 54.A O no hydrogen 2.527 N/A GLU 135.A N LYS 121.A O no hydrogen 2.758 N/A LEU 137.A N GLU 135.A OE2 no hydrogen 3.195 N/A ASP 139.A N GLU 135.A OE1 no hydrogen 2.828 N/A SER 142.A OG LYS 144.A O no hydrogen 2.584 N/A ASP 143.A N HIS 187.A O no hydrogen 3.263 N/A CYS 147.A SG PHE 186.A O no hydrogen 3.528 N/A ALA 149.A N CYS 147.A O no hydrogen 2.793 N/A VAL 151.A N PRO 148.A O no hydrogen 3.362 N/A SER 152.A OG GLU 154.A OE1 no hydrogen 3.478 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.884 N/A ILE 155.A N SER 152.A O no hydrogen 3.219 N/A LEU 156.A N PRO 153.A O no hydrogen 3.093 N/A ASN 157.A N PRO 153.A O no hydrogen 2.792 N/A THR 158.A OG1 GLU 154.A O no hydrogen 2.723 N/A THR 158.A OG1 ASN 157.A O no hydrogen 3.052 N/A LYS 165.A NZ HIS 108.A O no hydrogen 2.799 N/A ALA 166.A N SER 163.A OG no hydrogen 3.211 N/A ALA 167.A N SER 163.A O no hydrogen 3.064 N/A ASP 168.A N GLY 164.A O no hydrogen 3.009 N/A VAL 169.A N LYS 165.A O no hydrogen 3.090 N/A TRP 170.A N ALA 166.A O no hydrogen 3.106 N/A SER 171.A N ALA 167.A O no hydrogen 3.200 N/A SER 171.A OG ALA 167.A O no hydrogen 3.453 N/A LEU 172.A N ASP 168.A O no hydrogen 2.906 N/A GLY 173.A N VAL 169.A O no hydrogen 2.948 N/A VAL 174.A N TRP 170.A O no hydrogen 3.018 N/A MET 175.A N SER 171.A O no hydrogen 2.911 N/A LEU 176.A N LEU 172.A O no hydrogen 2.848 N/A TYR 177.A N GLY 173.A O no hydrogen 2.977 N/A TYR 177.A OH CYS 204.A O no hydrogen 2.561 N/A THR 178.A N VAL 174.A O no hydrogen 2.937 N/A THR 178.A OG1 VAL 174.A O no hydrogen 2.706 N/A LEU 179.A N MET 175.A O no hydrogen 2.818 N/A LEU 180.A N LEU 176.A O no hydrogen 3.188 N/A VAL 181.A N TYR 177.A O no hydrogen 2.826 N/A GLY 182.A N THR 178.A O no hydrogen 2.772 N/A TYR 184.A N LEU 141.A O no hydrogen 3.087 N/A HIS 187.A ND1 TYR 184.A O no hydrogen 3.069 N/A SER 192.A N ASP 190.A OD1 no hydrogen 3.149 N/A LEU 194.A N ASP 190.A O no hydrogen 3.012 N/A PHE 195.A N PRO 191.A O no hydrogen 2.873 N/A SER 196.A N SER 192.A O no hydrogen 3.127 N/A LYS 197.A N ALA 193.A O no hydrogen 2.903 N/A LYS 197.A NZ ASP 188.A OD2 no hydrogen 2.974 N/A ILE 198.A N LEU 194.A O no hydrogen 2.911 N/A ARG 199.A N PHE 195.A O no hydrogen 2.950 N/A ARG 200.A N SER 196.A O no hydrogen 3.163 N/A ARG 200.A NE SER 196.A O no hydrogen 3.064 N/A ARG 200.A NE SER 196.A OG no hydrogen 2.984 N/A ARG 200.A NH1 GLN 202.A OE1 no hydrogen 2.907 N/A ARG 200.A NH2 SER 196.A OG no hydrogen 3.116 N/A ARG 200.A NH2 GLN 202.A OE1 no hydrogen 2.748 N/A GLY 201.A N ILE 198.A O no hydrogen 3.093 N/A GLN 202.A N LYS 197.A O no hydrogen 2.839 N/A ILE 209.A N PRO 206.A O no hydrogen 3.190 N/A SER 210.A N GLU 90.A OE2 no hydrogen 2.881 N/A SER 210.A OG GLU 90.A OE1 no hydrogen 2.721 N/A SER 210.A OG GLU 90.A OE2 no hydrogen 3.350 N/A ALA 213.A N SER 210.A OG no hydrogen 3.206 N/A ARG 214.A N SER 210.A O no hydrogen 2.917 N/A ARG 214.A NH1 PRO 206.A O no hydrogen 2.742 N/A ARG 214.A NH1 ILE 209.A O no hydrogen 3.177 N/A ARG 214.A NH2 ILE 205.A O no hydrogen 2.888 N/A CYS 215.A N PRO 211.A O no hydrogen 3.032 N/A CYS 215.A SG PRO 211.A O no hydrogen 3.557 N/A CYS 215.A SG LYS 212.A O no hydrogen 3.549 N/A CYS 215.A SG HIS 237.A NE2 no hydrogen 3.683 N/A LEU 216.A N LYS 212.A O no hydrogen 3.097 N/A ILE 217.A N ALA 213.A O no hydrogen 2.927 N/A ARG 218.A N ARG 214.A O no hydrogen 3.000 N/A ARG 218.A NH2 PHE 203.A O no hydrogen 3.441 N/A SER 219.A N CYS 215.A O no hydrogen 2.762 N/A SER 219.A OG CYS 215.A O no hydrogen 2.717 N/A LEU 220.A N LEU 216.A O no hydrogen 3.127 N/A LEU 220.A N ILE 217.A O no hydrogen 2.996 N/A LEU 221.A N ILE 217.A O no hydrogen 2.851 N/A ARG 222.A NH1 GLU 227.A OE1 no hydrogen 3.380 N/A ARG 222.A NH2 GLU 227.A OE1 no hydrogen 3.412 N/A GLU 227.A N GLU 224.A O no hydrogen 2.927 N/A ARG 228.A N PRO 225.A O no hydrogen 3.278 N/A ARG 228.A NE ARG 222.A O no hydrogen 2.766 N/A ARG 228.A NH1 GLU 154.A OE1 no hydrogen 3.297 N/A ARG 228.A NH1 GLU 154.A OE2 no hydrogen 2.746 N/A ARG 228.A NH1 ALA 166.A O no hydrogen 2.903 N/A ARG 228.A NH2 GLU 154.A OE1 no hydrogen 2.731 N/A ARG 228.A NH2 ARG 222.A O no hydrogen 3.100 N/A LEU 229.A N SER 219.A O no hydrogen 3.212 N/A THR 230.A N GLU 233.A OE1 no hydrogen 2.971 N/A GLU 233.A N THR 230.A OG1 no hydrogen 3.168 N/A ILE 234.A N THR 230.A O no hydrogen 3.073 N/A ILE 234.A N ALA 231.A O no hydrogen 3.162 N/A LEU 235.A N PRO 232.A O no hydrogen 3.330 N/A LEU 236.A N GLU 233.A O no hydrogen 3.282 N/A HIS 237.A N ILE 234.A O no hydrogen 2.967 N/A TRP 239.A N HIS 237.A ND1 no hydrogen 3.195 N/A TRP 239.A NE1 GLU 90.A OE1 no hydrogen 2.956 N/A PHE 240.A N HIS 237.A O no hydrogen 3.358 N/A SER 242.A N PRO 238.A O no hydrogen 2.999 N/A SER 242.A OG TRP 239.A O no hydrogen 2.568 N/A VAL 243.A N TRP 239.A O no hydrogen 3.295 N/A VAL 243.A N PHE 240.A O no hydrogen 3.259 N/A LEU 244.A N PHE 240.A O no hydrogen 2.883 N/A TYR 249.A N VAL 60.A O no hydrogen 2.953 N/A GLU 251.A N LEU 62.A O no hydrogen 2.784 N/A