Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5hij_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N GLU 4.A OE2 no hydrogen 3.506 N/A GLU 5.A N HIS 1.A O no hydrogen 3.187 N/A TYR 6.A N TYR 2.A O no hydrogen 2.813 N/A VAL 7.A N GLU 3.A O no hydrogen 3.109 N/A LEU 8.A N GLU 4.A O no hydrogen 2.956 N/A GLY 9.A N GLU 5.A O no hydrogen 3.030 N/A PHE 10.A N TYR 6.A O no hydrogen 3.018 N/A VAL 11.A N VAL 7.A O no hydrogen 2.968 N/A ASP 12.A N LEU 8.A O no hydrogen 3.048 N/A LYS 13.A N GLY 9.A O no hydrogen 2.953 N/A LYS 13.A NZ GLU 16.A OE2 no hydrogen 2.951 N/A LYS 13.A NZ ASP 187.A OD2 no hydrogen 2.710 N/A LYS 13.A NZ SER 189.A OG no hydrogen 3.399 N/A TRP 14.A N PHE 10.A O no hydrogen 2.971 N/A ASP 15.A N VAL 11.A O no hydrogen 2.994 N/A GLU 16.A N ASP 12.A O no hydrogen 2.776 N/A LEU 17.A N LYS 13.A O no hydrogen 3.146 N/A ILE 18.A N TRP 14.A O no hydrogen 2.904 N/A SER 22.A N ASP 19.A OD2 no hydrogen 3.074 N/A SER 22.A OG ASP 19.A OD1 no hydrogen 2.628 N/A SER 22.A OG ASP 19.A OD2 no hydrogen 3.362 N/A ARG 23.A N ASP 19.A O no hydrogen 3.161 N/A ARG 23.A NE GLU 27.A OE2 no hydrogen 3.404 N/A ALA 24.A N TRP 20.A O no hydrogen 2.723 N/A GLU 25.A N GLU 21.A O no hydrogen 3.193 N/A GLU 25.A N SER 22.A O no hydrogen 3.090 N/A SER 26.A N SER 22.A O no hydrogen 2.953 N/A SER 26.A OG SER 22.A O no hydrogen 3.187 N/A GLU 27.A N ARG 23.A O no hydrogen 2.952 N/A ASN 33.A N ASP 29.A O no hydrogen 2.888 N/A ILE 34.A N THR 30.A O no hydrogen 3.019 N/A LEU 35.A N ILE 31.A O no hydrogen 3.086 N/A LYS 36.A N ILE 32.A O no hydrogen 2.809 N/A GLU 37.A N ASN 33.A O no hydrogen 2.862 N/A ARG 38.A N LEU 35.A O no hydrogen 3.141 N/A ARG 38.A NH2 ASP 139.A O no hydrogen 2.982 N/A GLY 39.A N LYS 36.A O no hydrogen 3.004 N/A VAL 40.A N LEU 35.A O no hydrogen 3.054 N/A LYS 41.A N ASP 107.A OD2 no hydrogen 2.976 N/A LYS 42.A N ASP 107.A OD2 no hydrogen 2.875 N/A LYS 42.A NZ ASP 104.A OD1 no hydrogen 3.479 N/A LYS 42.A NZ ASP 104.A OD2 no hydrogen 2.952 N/A VAL 43.A N ASP 63.A O no hydrogen 2.754 N/A LEU 44.A N ALA 108.A O no hydrogen 2.934 N/A ASP 45.A N VAL 65.A O no hydrogen 2.852 N/A VAL 46.A N VAL 110.A O no hydrogen 3.057 N/A ALA 47.A N ASP 45.A OD1 no hydrogen 3.024 N/A THR 48.A N ALA 67.A O no hydrogen 3.038 N/A THR 48.A OG1 ALA 67.A O no hydrogen 2.742 N/A GLY 49.A N ASP 68.A OD2 no hydrogen 2.837 N/A THR 50.A OG1 ASP 15.A OD2 no hydrogen 2.580 N/A GLY 51.A N THR 48.A O no hydrogen 2.875 N/A SER 54.A OG ASP 45.A OD2 no hydrogen 2.622 N/A SER 54.A OG SER 66.A OG no hydrogen 2.781 N/A VAL 55.A N GLY 51.A O no hydrogen 2.824 N/A ARG 56.A N PHE 52.A O no hydrogen 3.001 N/A ARG 56.A NH2 ASP 29.A OD1 no hydrogen 2.751 N/A LEU 57.A N ASN 53.A O no hydrogen 3.080 N/A LEU 58.A N SER 54.A O no hydrogen 2.849 N/A GLN 59.A N VAL 55.A O no hydrogen 2.824 N/A ALA 60.A N ARG 56.A O no hydrogen 3.114 N/A GLY 61.A N LEU 58.A O no hydrogen 3.026 N/A PHE 62.A N LEU 57.A O no hydrogen 3.031 N/A ASP 63.A N LYS 41.A O no hydrogen 2.974 N/A VAL 65.A N VAL 43.A O no hydrogen 2.897 N/A SER 66.A N ARG 89.A O no hydrogen 2.812 N/A SER 66.A OG SER 54.A OG no hydrogen 2.781 N/A ALA 67.A N ASP 45.A O no hydrogen 2.715 N/A ASP 68.A N VAL 91.A O no hydrogen 3.298 N/A SER 70.A N ASP 68.A OD1 no hydrogen 2.863 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.908 N/A MET 73.A N SER 70.A OG no hydrogen 3.077 N/A LEU 74.A N SER 70.A O no hydrogen 3.205 N/A VAL 75.A N ALA 71.A O no hydrogen 3.020 N/A LYS 76.A N GLU 72.A O no hydrogen 3.225 N/A LYS 76.A NZ ASP 12.A OD1 no hydrogen 2.782 N/A LYS 76.A NZ ASP 12.A OD2 no hydrogen 3.280 N/A ALA 77.A N MET 73.A O no hydrogen 2.854 N/A PHE 78.A N LEU 74.A O no hydrogen 2.820 N/A ASP 79.A N VAL 75.A O no hydrogen 3.091 N/A ASN 80.A N LYS 76.A O no hydrogen 2.946 N/A ASN 80.A ND2 THR 50.A O no hydrogen 2.971 N/A ALA 81.A N ALA 77.A O no hydrogen 2.949 N/A ARG 82.A N PHE 78.A O no hydrogen 2.906 N/A ARG 82.A NE ASP 83.A OD1 no hydrogen 2.903 N/A ARG 82.A NH2 ASP 83.A OD1 no hydrogen 2.871 N/A ASP 83.A N ASP 79.A O no hydrogen 2.887 N/A HIS 84.A N ASN 80.A O no hydrogen 3.108 N/A HIS 84.A N ALA 81.A O no hydrogen 2.870 N/A HIS 84.A ND1 ASN 80.A O no hydrogen 2.911 N/A GLY 85.A N ARG 82.A O no hydrogen 2.899 N/A TYR 86.A N ALA 81.A O no hydrogen 2.928 N/A VAL 91.A N SER 66.A O no hydrogen 2.946 N/A GLN 92.A NE2 GLY 69.A O no hydrogen 2.967 N/A ALA 93.A N ASP 68.A O no hydrogen 2.934 N/A TRP 95.A NE1 VAL 46.A O no hydrogen 2.767 N/A ARG 96.A N ASP 94.A OD2 no hydrogen 2.721 N/A ARG 96.A NE ASP 94.A OD2 no hydrogen 2.815 N/A ARG 96.A NH2 ASP 94.A OD1 no hydrogen 2.376 N/A ARG 96.A NH2 ASP 94.A OD2 no hydrogen 3.412 N/A TRP 97.A N ASP 94.A O no hydrogen 2.938 N/A MET 98.A N GLU 131.A OE1 no hydrogen 2.868 N/A LYS 100.A N TRP 97.A O no hydrogen 3.341 N/A LYS 105.A N ASP 104.A OD1 no hydrogen 2.949 N/A PHE 106.A N LEU 135.A O no hydrogen 2.884 N/A ASP 107.A N LYS 42.A O no hydrogen 2.973 N/A ALA 108.A N LYS 42.A O no hydrogen 3.197 N/A ILE 109.A N VAL 141.A O no hydrogen 2.921 N/A VAL 110.A N LEU 44.A O no hydrogen 2.954 N/A CYS 111.A N LEU 143.A O no hydrogen 2.744 N/A CYS 111.A SG SER 115.A OG no hydrogen 3.645 N/A GLY 113.A N ASP 145.A OD2 no hydrogen 3.016 N/A ASN 114.A N ASP 145.A OD1 no hydrogen 2.796 N/A ASN 114.A ND2 TYR 149.A OH no hydrogen 3.317 N/A SER 115.A OG LEU 112.A O no hydrogen 3.101 N/A THR 117.A OG1 ASN 114.A O no hydrogen 3.222 N/A THR 117.A OG1 ASN 114.A OD1 no hydrogen 3.209 N/A HIS 118.A N SER 115.A O no hydrogen 3.050 N/A LEU 119.A N PHE 116.A O no hydrogen 3.265 N/A ASP 124.A N ASP 121.A OD2 no hydrogen 2.951 N/A ARG 125.A N ASP 121.A O no hydrogen 3.093 N/A ARG 125.A NH2 LEU 119.A O no hydrogen 3.070 N/A ARG 126.A N GLU 122.A O no hydrogen 3.021 N/A ARG 126.A NH1 GLU 209.A OE1 no hydrogen 2.666 N/A ARG 126.A NH2 GLU 209.A OE1 no hydrogen 2.808 N/A LYS 127.A N GLY 123.A O no hydrogen 2.989 N/A ALA 128.A N ASP 124.A O no hydrogen 2.958 N/A LEU 129.A N ARG 125.A O no hydrogen 3.088 N/A ALA 130.A N ARG 126.A O no hydrogen 2.852 N/A GLU 131.A N LYS 127.A O no hydrogen 2.917 N/A PHE 132.A N ALA 128.A O no hydrogen 2.951 N/A TYR 133.A N LEU 129.A O no hydrogen 2.839 N/A ALA 134.A N ALA 130.A O no hydrogen 3.043 N/A LEU 135.A N GLU 131.A O no hydrogen 3.300 N/A LEU 135.A N PHE 132.A O no hydrogen 3.062 N/A LEU 136.A N TYR 133.A O no hydrogen 3.271 N/A LYS 137.A N PHE 106.A O no hydrogen 2.831 N/A GLY 140.A N LYS 137.A O no hydrogen 2.826 N/A VAL 141.A N ASP 107.A O no hydrogen 3.023 N/A LEU 142.A N ALA 237.A O no hydrogen 2.774 N/A LEU 143.A N ILE 109.A O no hydrogen 2.882 N/A LEU 144.A N HIS 235.A O no hydrogen 3.053 N/A ASP 145.A N CYS 111.A O no hydrogen 3.207 N/A GLN 146.A N PHE 233.A O no hydrogen 2.993 N/A GLN 146.A NE2 ARG 147.A O no hydrogen 3.074 N/A GLN 146.A NE2 LEU 198.A O no hydrogen 2.878 N/A ARG 147.A N ASN 114.A OD1 no hydrogen 3.058 N/A ARG 147.A NH1 TYR 162.A OH no hydrogen 2.727 N/A ASN 148.A N ASP 231.A O no hydrogen 2.831 N/A ASN 148.A ND2 PRO 230.A O no hydrogen 2.924 N/A ALA 151.A N ASN 148.A OD1 no hydrogen 3.174 N/A LEU 153.A N TYR 149.A O no hydrogen 2.775 N/A ASP 154.A N ASP 150.A O no hydrogen 3.135 N/A SER 156.A OG SER 156.A O no hydrogen 2.397 N/A LYS 157.A NZ PRO 171.A O no hydrogen 3.188 N/A HIS 158.A NE2 GLU 227.A OE2 no hydrogen 2.430 N/A HIS 160.A N VAL 169.A O no hydrogen 2.882 N/A HIS 160.A ND1 GLU 223.A OE2 no hydrogen 2.511 N/A TYR 162.A N VAL 167.A O no hydrogen 3.010 N/A TYR 162.A OH ASP 231.A OD1 no hydrogen 2.636 N/A CYS 163.A SG THR 166.A OG1 no hydrogen 3.755 N/A THR 166.A N CYS 163.A O no hydrogen 3.118 N/A THR 166.A OG1 CYS 163.A O no hydrogen 2.785 N/A VAL 167.A N TYR 162.A O no hydrogen 3.417 N/A SER 168.A N GLU 184.A O no hydrogen 2.880 N/A SER 168.A OG GLU 184.A O no hydrogen 3.446 N/A VAL 169.A N HIS 160.A O no hydrogen 2.721 N/A TYR 170.A N LYS 182.A O no hydrogen 2.966 N/A HIS 173.A N ARG 180.A O no hydrogen 3.334 N/A HIS 173.A NE2 ASP 175.A OD2 no hydrogen 2.765 N/A ASP 175.A N LEU 178.A O no hydrogen 2.790 N/A GLY 177.A N ASP 175.A OD1 no hydrogen 2.752 N/A LEU 178.A N ASP 175.A O no hydrogen 3.238 N/A ALA 179.A N MET 195.A O no hydrogen 2.964 N/A ARG 180.A N HIS 173.A O no hydrogen 2.832 N/A ARG 180.A NE GLU 172.A OE1 no hydrogen 3.001 N/A PHE 181.A N LEU 193.A O no hydrogen 2.911 N/A LYS 182.A N TYR 170.A O no hydrogen 2.762 N/A TYR 183.A N TYR 191.A O no hydrogen 2.704 N/A GLU 184.A N SER 168.A O no hydrogen 2.892 N/A PHE 185.A N SER 189.A O no hydrogen 2.869 N/A SER 186.A N THR 166.A O no hydrogen 2.783 N/A GLY 188.A N PHE 185.A O no hydrogen 2.950 N/A SER 189.A N ASP 187.A OD1 no hydrogen 2.975 N/A SER 189.A OG ASP 187.A OD1 no hydrogen 2.744 N/A SER 189.A OG ASP 187.A OD2 no hydrogen 3.257 N/A TYR 191.A N TYR 183.A O no hydrogen 2.931 N/A ASN 192.A N TYR 6.A OH no hydrogen 3.105 N/A ASN 192.A ND2 GLU 172.A OE1 no hydrogen 3.097 N/A LEU 193.A N PHE 181.A O no hydrogen 3.000 N/A MET 195.A N ALA 179.A O no hydrogen 2.928 N/A PHE 196.A N THR 117.A O no hydrogen 2.693 N/A LEU 198.A N PHE 196.A O no hydrogen 2.849 N/A ARG 199.A NH1 ASP 150.A OD2 no hydrogen 3.272 N/A ARG 199.A NH1 ASP 154.A OD1 no hydrogen 3.306 N/A ARG 199.A NH1 ASP 154.A OD2 no hydrogen 3.166 N/A ARG 199.A NH2 ASP 154.A OD1 no hydrogen 2.985 N/A LYS 200.A N ASP 150.A OD1 no hydrogen 2.809 N/A TYR 202.A OH GLU 122.A OE2 no hydrogen 2.629 N/A THR 203.A N ARG 199.A O no hydrogen 3.091 N/A THR 203.A OG1 GLN 146.A OE1 no hydrogen 2.778 N/A THR 203.A OG1 ARG 199.A O no hydrogen 3.445 N/A ARG 204.A N LYS 200.A O no hydrogen 3.175 N/A ARG 204.A NH1 ILE 215.A O no hydrogen 3.003 N/A ARG 204.A NH1 THR 217.A OG1 no hydrogen 2.816 N/A ARG 204.A NH2 ILE 215.A O no hydrogen 3.283 N/A GLN 205.A N ASP 201.A O no hydrogen 2.919 N/A LEU 206.A N TYR 202.A O no hydrogen 2.975 N/A LEU 207.A N THR 203.A O no hydrogen 3.002 N/A HIS 208.A N ARG 204.A O no hydrogen 2.925 N/A GLU 209.A N GLN 205.A O no hydrogen 2.793 N/A VAL 210.A N LEU 206.A O no hydrogen 3.108 N/A GLY 211.A N HIS 208.A O no hydrogen 3.133 N/A PHE 212.A N LEU 207.A O no hydrogen 3.223 N/A GLN 213.A N GLU 238.A O no hydrogen 2.861 N/A ASN 216.A N VAL 236.A O no hydrogen 3.038 N/A ASN 216.A ND2 GLU 214.A OE2 no hydrogen 3.429 N/A THR 217.A OG1 HIS 235.A ND1 no hydrogen 2.795 N/A LEU 218.A N LEU 234.A O no hydrogen 2.794 N/A ASP 220.A N PHE 232.A O no hydrogen 2.836 N/A LYS 222.A N ASP 231.A OD2 no hydrogen 2.792 N/A LYS 222.A NZ ASP 220.A OD2 no hydrogen 2.725 N/A GLU 223.A N ASP 231.A OD2 no hydrogen 3.467 N/A THR 224.A N TYR 161.A O no hydrogen 2.803 N/A THR 224.A OG1 TYR 161.A O no hydrogen 3.245 N/A THR 224.A OG1 GLY 164.A O no hydrogen 2.653 N/A TYR 225.A OH ASP 165.A OD1 no hydrogen 2.526 N/A TYR 225.A OH ASP 165.A OD2 no hydrogen 3.359 N/A LYS 226.A NZ GLU 223.A O no hydrogen 2.833 N/A ASP 231.A N ASP 231.A OD2 no hydrogen 2.635 N/A PHE 232.A N ASP 220.A O no hydrogen 3.083 N/A PHE 233.A N GLN 146.A O no hydrogen 2.775 N/A LEU 234.A N LEU 218.A O no hydrogen 2.826 N/A HIS 235.A N LEU 144.A O no hydrogen 2.850 N/A HIS 235.A ND1 THR 217.A OG1 no hydrogen 2.795 N/A HIS 235.A NE2 GLN 146.A OE1 no hydrogen 2.754 N/A VAL 236.A N ASN 216.A O no hydrogen 2.756 N/A ALA 237.A N LEU 142.A O no hydrogen 2.801 N/A GLU 238.A N GLU 214.A O no hydrogen 2.866 N/A LYS 239.A N GLY 140.A O no hydrogen 2.987 N/A LYS 239.A NZ TYR 133.A O no hydrogen 2.999 N/A LYS 239.A NZ LEU 136.A O no hydrogen 2.838 N/A ASN 240.A ND2 HIS 138.A O no hydrogen 2.960 N/A