Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8hib_V.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N GLN 2.A O no hydrogen 3.326 N/A ARG 6.A NE GLU 9.A OE1 no hydrogen 3.244 N/A ARG 6.A NH1 MET 128.A O no hydrogen 3.011 N/A ARG 6.A NH2 GLU 9.A OE1 no hydrogen 3.077 N/A ILE 7.A N THR 3.A O no hydrogen 3.418 N/A PHE 8.A N ASP 4.A O no hydrogen 3.395 N/A GLU 9.A N TYR 5.A O no hydrogen 2.753 N/A LEU 10.A N ARG 6.A O no hydrogen 2.779 N/A ASN 11.A N ILE 7.A O no hydrogen 2.742 N/A ASN 11.A ND2 TYR 77.A O no hydrogen 2.942 N/A LYS 12.A N PHE 8.A O no hydrogen 2.807 N/A ARG 13.A N GLU 9.A O no hydrogen 2.947 N/A ARG 13.A NH1 GLU 32.A OE2 no hydrogen 3.082 N/A LEU 14.A N LEU 10.A O no hydrogen 3.108 N/A GLN 15.A N LYS 12.A O no hydrogen 3.199 N/A ASN 16.A N ARG 13.A O no hydrogen 2.966 N/A TRP 17.A N LEU 14.A O no hydrogen 3.120 N/A THR 18.A OG1 GLU 20.A OE2 no hydrogen 2.985 N/A GLU 20.A N THR 18.A OG1 no hydrogen 3.360 N/A CYS 21.A N THR 18.A O no hydrogen 2.980 N/A CYS 21.A SG THR 18.A O no hydrogen 3.448 N/A TRP 25.A N ASP 22.A OD1 no hydrogen 3.283 N/A TRP 26.A N ASP 22.A O no hydrogen 2.912 N/A ASP 27.A N ASN 23.A O no hydrogen 2.926 N/A ALA 28.A N LEU 24.A O no hydrogen 2.840 N/A PHE 29.A N TRP 25.A O no hydrogen 2.764 N/A THR 30.A N TRP 26.A O no hydrogen 2.935 N/A THR 30.A OG1 TRP 26.A O no hydrogen 2.881 N/A THR 31.A N ASP 27.A O no hydrogen 2.943 N/A THR 31.A OG1 ASP 27.A O no hydrogen 3.316 N/A GLU 32.A N ALA 28.A O no hydrogen 3.187 N/A PHE 33.A N THR 30.A O no hydrogen 3.303 N/A PHE 34.A N THR 30.A O no hydrogen 2.795 N/A GLU 35.A N ILE 130.A O no hydrogen 2.955 N/A ALA 38.A N GLU 35.A O no hydrogen 3.116 N/A MET 39.A N LYS 131.A O no hydrogen 2.927 N/A LEU 40.A N ILE 55.A O no hydrogen 2.985 N/A THR 41.A N TRP 133.A O no hydrogen 2.606 N/A THR 41.A OG1 THR 54.A OG1 no hydrogen 3.109 N/A ILE 42.A N TYR 53.A O no hydrogen 2.938 N/A THR 43.A N PHE 135.A O no hydrogen 2.943 N/A PHE 44.A N LYS 51.A O no hydrogen 3.044 N/A CYS 45.A SG GLY 49.A O no hydrogen 2.962 N/A LYS 51.A N PHE 44.A O no hydrogen 2.742 N/A TYR 53.A N ILE 42.A O no hydrogen 2.982 N/A THR 54.A OG1 THR 41.A OG1 no hydrogen 3.109 N/A ILE 55.A N LEU 40.A O no hydrogen 2.919 N/A GLY 56.A N GLU 186.A OE2 no hydrogen 2.850 N/A ARG 57.A NH1 ARG 57.A O no hydrogen 2.855 N/A ARG 57.A NH2 ASP 27.A OD1 no hydrogen 3.177 N/A ARG 57.A NH2 THR 31.A OG1 no hydrogen 2.737 N/A LEU 59.A N GLY 56.A O no hydrogen 2.978 N/A ILE 60.A N ARG 57.A O no hydrogen 3.137 N/A ARG 62.A NH2 ASN 23.A OD1 no hydrogen 3.030 N/A TYR 63.A N LEU 59.A O no hydrogen 3.403 N/A PHE 64.A N ILE 60.A O no hydrogen 3.360 N/A ARG 65.A N PRO 61.A O no hydrogen 3.019 N/A ARG 65.A NE GLU 69.A OE2 no hydrogen 2.903 N/A SER 66.A N ARG 62.A O no hydrogen 2.740 N/A SER 66.A OG TYR 63.A O no hydrogen 2.663 N/A SER 66.A OG THR 175.A OG1 no hydrogen 2.776 N/A ILE 67.A N PHE 64.A O no hydrogen 3.048 N/A GLU 69.A N ARG 65.A O no hydrogen 2.800 N/A GLY 70.A N SER 66.A O no hydrogen 2.930 N/A GLY 71.A N PHE 68.A O no hydrogen 3.026 N/A THR 73.A N GLN 103.A O no hydrogen 2.524 N/A TYR 76.A N VAL 101.A O no hydrogen 2.943 N/A TYR 77.A N ASN 11.A OD1 no hydrogen 2.936 N/A VAL 78.A N SER 99.A O no hydrogen 2.842 N/A LYS 80.A N GLN 97.A O no hydrogen 3.168 N/A LYS 83.A N ASP 94.A O no hydrogen 2.766 N/A ALA 85.A N SER 92.A O no hydrogen 3.146 N/A HIS 87.A N PHE 90.A O no hydrogen 2.934 N/A SER 88.A OG ASN 89.A OD1 no hydrogen 2.698 N/A VAL 91.A N PHE 122.A O no hydrogen 2.885 N/A SER 92.A N ALA 85.A O no hydrogen 2.899 N/A LEU 93.A N LEU 120.A O no hydrogen 2.822 N/A ASP 94.A N LYS 83.A O no hydrogen 3.006 N/A CYS 95.A N LEU 118.A O no hydrogen 2.841 N/A CYS 95.A SG LYS 80.A O no hydrogen 3.335 N/A GLY 98.A N GLY 116.A O no hydrogen 2.842 N/A SER 99.A N VAL 78.A O no hydrogen 2.800 N/A MET 100.A N VAL 114.A O no hydrogen 2.732 N/A VAL 101.A N TYR 76.A O no hydrogen 2.812 N/A THR 102.A N VAL 112.A O no hydrogen 2.894 N/A THR 102.A OG1 VAL 112.A O no hydrogen 3.540 N/A GLN 103.A N GLU 74.A O no hydrogen 3.217 N/A GLN 103.A NE2 HIS 104.A O no hydrogen 3.182 N/A HIS 104.A N THR 110.A O no hydrogen 2.730 N/A THR 110.A OG1 LEU 143.A O no hydrogen 3.354 N/A GLN 111.A N LEU 143.A O no hydrogen 3.091 N/A VAL 112.A N THR 102.A O no hydrogen 2.917 N/A CYS 113.A N ARG 141.A O no hydrogen 2.954 N/A VAL 114.A N MET 100.A O no hydrogen 2.753 N/A GLU 115.A N GLN 139.A O no hydrogen 2.826 N/A GLY 116.A N GLY 98.A O no hydrogen 3.076 N/A ARG 117.A N SER 136.A O no hydrogen 3.011 N/A ARG 117.A NE ASP 94.A OD1 no hydrogen 2.903 N/A ARG 117.A NH2 ASP 94.A OD1 no hydrogen 3.413 N/A ARG 117.A NH2 ASP 94.A OD2 no hydrogen 2.849 N/A LEU 118.A N CYS 95.A O no hydrogen 2.839 N/A TYR 119.A N HIS 134.A O no hydrogen 2.745 N/A TYR 119.A OH GLU 121.A OE2 no hydrogen 2.569 N/A LEU 120.A N LEU 93.A O no hydrogen 2.745 N/A GLU 121.A N THR 132.A O no hydrogen 3.011 N/A PHE 122.A N VAL 91.A O no hydrogen 2.725 N/A MET 123.A N ARG 129.A O no hydrogen 2.766 N/A PHE 124.A N ASN 89.A O no hydrogen 3.275 N/A ARG 129.A NE GLU 35.A OE2 no hydrogen 3.094 N/A ARG 129.A NH1 THR 31.A O no hydrogen 2.845 N/A ARG 129.A NH2 GLU 35.A OE2 no hydrogen 3.202 N/A ILE 130.A N PHE 33.A O no hydrogen 2.767 N/A LYS 131.A N GLU 121.A O no hydrogen 2.586 N/A LYS 131.A NZ ASP 37.A OD1 no hydrogen 2.316 N/A LYS 131.A NZ ASP 37.A OD2 no hydrogen 3.009 N/A THR 132.A N GLU 121.A O no hydrogen 3.390 N/A THR 132.A OG1 GLU 121.A OE1 no hydrogen 3.432 N/A TRP 133.A N MET 39.A O no hydrogen 2.891 N/A HIS 134.A N TYR 119.A O no hydrogen 2.910 N/A PHE 135.A N THR 41.A O no hydrogen 2.956 N/A SER 136.A N ARG 117.A O no hydrogen 2.859 N/A SER 136.A OG ARG 117.A O no hydrogen 3.287 N/A ILE 137.A N THR 43.A O no hydrogen 2.665 N/A ARG 138.A N GLU 115.A O no hydrogen 2.847 N/A GLN 139.A N GLU 115.A O no hydrogen 3.447 N/A HIS 140.A NE2 GLU 142.A OE2 no hydrogen 2.868 N/A ARG 141.A N CYS 113.A O no hydrogen 2.815 N/A LEU 143.A N GLN 111.A O no hydrogen 2.729 N/A ILE 148.A N PRO 145.A O no hydrogen 3.088 N/A LEU 149.A N PRO 145.A O no hydrogen 3.067 N/A ALA 150.A N ARG 146.A O no hydrogen 2.964 N/A MET 151.A N SER 147.A O no hydrogen 2.853 N/A GLN 157.A NE2 ASP 155.A OD1 no hydrogen 2.751 N/A MET 158.A N ASP 155.A O no hydrogen 2.933 N/A LEU 159.A N ASP 155.A O no hydrogen 3.111 N/A SER 163.A N ASP 160.A O no hydrogen 3.426 N/A SER 163.A OG ASP 160.A O no hydrogen 2.634 N/A LYS 164.A N GLN 161.A O no hydrogen 3.345 N/A ILE 166.A N GLU 142.A OE1 no hydrogen 2.774 N/A ILE 166.A N GLU 142.A OE2 no hydrogen 3.198 N/A THR 167.A N GLU 142.A OE2 no hydrogen 3.123 N/A THR 167.A OG1 GLU 142.A OE2 no hydrogen 2.866 N/A ARG 168.A N LEU 171.A O no hydrogen 2.998 N/A CYS 169.A SG CYS 45.A O no hydrogen 3.780 N/A CYS 169.A SG ARG 168.A O no hydrogen 3.809 N/A SER 172.A OG SER 174.A OG no hydrogen 3.234 N/A SER 174.A OG SER 66.A O no hydrogen 2.792 N/A SER 174.A OG SER 172.A OG no hydrogen 3.234 N/A THR 175.A OG1 SER 66.A OG no hydrogen 2.776 N/A LEU 176.A N SER 172.A O no hydrogen 3.076 N/A ASN 177.A N ASN 173.A O no hydrogen 2.801 N/A TYR 178.A N SER 174.A O no hydrogen 2.973 N/A TYR 178.A OH LEU 59.A O no hydrogen 2.533 N/A LEU 179.A N THR 175.A O no hydrogen 2.935 N/A ARG 180.A N LEU 176.A O no hydrogen 3.065 N/A LEU 181.A N ASN 177.A O no hydrogen 3.046 N/A CYS 182.A N TYR 178.A O no hydrogen 2.936 N/A CYS 182.A SG TYR 178.A O no hydrogen 3.287 N/A VAL 183.A N LEU 179.A O no hydrogen 3.290 N/A VAL 183.A N ARG 180.A O no hydrogen 3.038 N/A ILE 184.A N LEU 181.A O no hydrogen 3.023 N/A LEU 185.A N LEU 181.A O no hydrogen 3.017 N/A GLU 186.A N CYS 182.A O no hydrogen 2.994 N/A GLN 189.A N GLU 186.A O no hydrogen 3.254 N/A GLU 190.A N PRO 187.A O no hydrogen 3.314 N/A MET 192.A N MET 188.A O no hydrogen 2.909 N/A SER 193.A N GLN 189.A O no hydrogen 2.867 N/A ARG 194.A N GLU 190.A O no hydrogen 3.164 N/A ARG 194.A NE CYS 205.A O no hydrogen 3.470 N/A HIS 195.A N LEU 191.A O no hydrogen 2.987 N/A LYS 196.A N MET 192.A O no hydrogen 2.985 N/A THR 197.A N SER 193.A O no hydrogen 3.177 N/A THR 197.A N ARG 194.A O no hydrogen 2.906 N/A THR 197.A OG1 SER 193.A O no hydrogen 3.207 N/A THR 197.A OG1 ARG 194.A O no hydrogen 3.011 N/A TYR 198.A N ARG 194.A O no hydrogen 2.905 N/A ASP 204.A N SER 201.A OG no hydrogen 3.165 N/A CYS 205.A N SER 201.A O no hydrogen 2.757 N/A CYS 205.A SG LEU 191.A O no hydrogen 3.845 N/A CYS 205.A SG LEU 200.A O no hydrogen 3.591 N/A CYS 205.A SG SER 201.A O no hydrogen 3.444 N/A LEU 206.A N PRO 202.A O no hydrogen 2.807 N/A LYS 207.A N ARG 203.A O no hydrogen 2.922 N/A THR 208.A N ASP 204.A O no hydrogen 2.761 N/A THR 208.A OG1 ASP 204.A O no hydrogen 2.605 N/A CYS 209.A N LEU 206.A O no hydrogen 2.892 N/A CYS 209.A SG GLU 190.A OE2 no hydrogen 3.298 N/A CYS 209.A SG CYS 205.A O no hydrogen 3.202 N/A LEU 210.A N LEU 206.A O no hydrogen 3.028 N/A PHE 211.A N THR 208.A O no hydrogen 3.122 N/A GLN 212.A NE2 GLU 190.A OE2 no hydrogen 3.261 N/A TRP 214.A N LEU 210.A O no hydrogen 3.518 N/A ARG 216.A N GLN 212.A O no hydrogen 3.223 N/A