Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1fib_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 23.A O no hydrogen 2.934 N/A THR 6.A OG1 PHE 25.A O no hydrogen 2.802 N/A LYS 8.A N ASP 12.A OD2 no hydrogen 3.157 N/A LYS 8.A NZ ASP 9.A OD1 no hydrogen 3.398 N/A LYS 8.A NZ ASP 9.A OD2 no hydrogen 2.860 N/A CYS 10.A N THR 49.A OG1 no hydrogen 3.165 N/A CYS 10.A SG TRP 48.A O no hydrogen 3.689 N/A CYS 10.A SG THR 49.A OG1 no hydrogen 3.389 N/A GLN 11.A N ASP 9.A OD1 no hydrogen 2.889 N/A GLN 11.A NE2 ASN 15.A OD1 no hydrogen 3.119 N/A GLN 11.A NE2 GLY 45.A O no hydrogen 2.975 N/A ASP 12.A N ASP 9.A OD1 no hydrogen 3.001 N/A ILE 13.A N ASP 9.A O no hydrogen 3.200 N/A ALA 14.A N CYS 10.A O no hydrogen 3.021 N/A ASN 15.A N GLN 11.A O no hydrogen 2.857 N/A LYS 16.A N ILE 13.A O no hydrogen 3.163 N/A LYS 16.A NZ THR 6.A O no hydrogen 3.274 N/A GLY 17.A N ALA 14.A O no hydrogen 3.330 N/A LYS 19.A NZ GLY 17.A O no hydrogen 2.683 N/A SER 21.A OG ILE 41.A O no hydrogen 3.388 N/A GLY 22.A N CYS 39.A O no hydrogen 3.012 N/A TYR 24.A N VAL 37.A O no hydrogen 2.980 N/A TYR 24.A OH GLN 20.A O no hydrogen 2.669 N/A ILE 26.A N PHE 35.A O no hydrogen 3.072 N/A LYS 27.A N GLY 7.A O no hydrogen 2.796 N/A LEU 29.A N GLN 96.A OE1 no hydrogen 2.951 N/A ALA 31.A N PRO 28.A O no hydrogen 2.907 N/A PHE 35.A N ILE 26.A O no hydrogen 3.156 N/A VAL 37.A N TYR 24.A O no hydrogen 2.942 N/A CYS 39.A N GLY 22.A O no hydrogen 2.872 N/A GLU 40.A N TRP 48.A O no hydrogen 2.900 N/A ILE 41.A N SER 21.A OG no hydrogen 3.093 N/A ASP 42.A N ASN 46.A O no hydrogen 3.072 N/A SER 44.A N ASP 42.A OD1 no hydrogen 2.889 N/A GLY 45.A N ASP 42.A O no hydrogen 3.432 N/A ASN 46.A N ASP 42.A OD1 no hydrogen 2.910 N/A GLY 47.A N GLN 11.A OE1 no hydrogen 2.807 N/A TRP 48.A N GLU 40.A O no hydrogen 2.780 N/A THR 49.A N ILE 243.A O no hydrogen 2.959 N/A VAL 50.A N TYR 38.A O no hydrogen 3.217 N/A PHE 51.A N MET 241.A O no hydrogen 2.975 N/A GLN 52.A N MET 241.A O no hydrogen 3.458 N/A GLN 52.A NE2 LEU 201.A O no hydrogen 3.249 N/A GLN 52.A NE2 ASN 202.A OD1 no hydrogen 3.014 N/A LYS 53.A N PHE 83.A O no hydrogen 3.276 N/A LYS 53.A NZ THR 240.A OG1 no hydrogen 3.249 N/A ARG 54.A N THR 239.A O no hydrogen 3.100 N/A ARG 54.A NH1 LEU 201.A O no hydrogen 2.959 N/A ARG 54.A NH1 GLY 203.A O no hydrogen 3.121 N/A ARG 54.A NH2 GLY 203.A O no hydrogen 3.012 N/A LEU 55.A N GLU 82.A OE2 no hydrogen 2.792 N/A ASP 56.A N GLU 82.A OE2 no hydrogen 2.922 N/A GLY 57.A N GLU 82.A OE2 no hydrogen 2.933 N/A SER 58.A N ASP 56.A OD1 no hydrogen 3.052 N/A SER 58.A OG ASP 56.A OD1 no hydrogen 2.555 N/A VAL 59.A N GLU 82.A OE1 no hydrogen 3.162 N/A LYS 62.A N ASP 60.A OD1 no hydrogen 3.154 N/A LYS 63.A NZ ASP 60.A O no hydrogen 2.845 N/A ASN 64.A N GLN 67.A OE1 no hydrogen 3.058 N/A TRP 65.A N ASP 173.A OD1 no hydrogen 3.063 N/A TRP 65.A NE1 GLU 127.A OE2 no hydrogen 2.961 N/A GLN 67.A N ASN 64.A OD1 no hydrogen 2.940 N/A TYR 68.A N ASN 64.A O no hydrogen 3.093 N/A TYR 68.A OH PHE 61.A O no hydrogen 2.634 N/A LYS 69.A N TRP 65.A O no hydrogen 2.937 N/A LYS 69.A NZ GLU 127.A OE1 no hydrogen 2.763 N/A GLU 70.A N ILE 66.A O no hydrogen 2.817 N/A GLY 71.A N GLN 67.A O no hydrogen 2.783 N/A PHE 72.A N TRP 84.A O no hydrogen 2.992 N/A HIS 74.A N GLU 82.A O no hydrogen 2.967 N/A SER 76.A OG THR 81.A OG1 no hydrogen 2.864 N/A THR 78.A OG1 THR 80.A OG1 no hydrogen 2.764 N/A GLY 79.A N SER 76.A O no hydrogen 3.123 N/A THR 80.A N SER 76.A OG no hydrogen 2.886 N/A THR 80.A OG1 THR 78.A OG1 no hydrogen 2.764 N/A THR 81.A OG1 HIS 74.A O no hydrogen 2.581 N/A THR 81.A OG1 SER 76.A OG no hydrogen 2.864 N/A PHE 83.A N LYS 53.A O no hydrogen 3.368 N/A TRP 84.A N PHE 72.A O no hydrogen 2.901 N/A TRP 84.A NE1 ASN 87.A OD1 no hydrogen 3.078 N/A LEU 85.A N PHE 51.A O no hydrogen 2.805 N/A ASN 87.A N TYR 68.A O no hydrogen 2.797 N/A GLU 88.A N LYS 69.A O no hydrogen 3.218 N/A LYS 89.A NZ GLU 70.A O no hydrogen 3.304 N/A LYS 89.A NZ LEU 85.A O no hydrogen 3.397 N/A ILE 90.A N GLY 86.A O no hydrogen 2.999 N/A HIS 91.A N ASN 87.A O no hydrogen 2.901 N/A HIS 91.A ND1 VAL 124.A O no hydrogen 2.782 N/A LEU 92.A N GLU 88.A O no hydrogen 3.034 N/A ILE 93.A N LYS 89.A O no hydrogen 3.085 N/A SER 94.A N ILE 90.A O no hydrogen 3.093 N/A SER 94.A OG ILE 90.A O no hydrogen 2.910 N/A THR 95.A N HIS 91.A O no hydrogen 3.251 N/A THR 95.A OG1 HIS 91.A O no hydrogen 2.724 N/A GLN 96.A NE2 LYS 8.A O no hydrogen 3.114 N/A GLN 96.A NE2 ILE 93.A O no hydrogen 3.591 N/A GLN 96.A NE2 TYR 101.A OH no hydrogen 2.840 N/A ALA 98.A N THR 95.A O no hydrogen 3.482 N/A ILE 99.A N GLN 96.A O no hydrogen 3.055 N/A TYR 101.A OH ASP 9.A OD2 no hydrogen 2.516 N/A ALA 102.A N ILE 244.A O no hydrogen 2.775 N/A LEU 103.A N TYR 119.A O no hydrogen 2.837 N/A ARG 104.A N LYS 242.A O no hydrogen 2.863 N/A ARG 104.A NE ASP 118.A OD1 no hydrogen 2.894 N/A ARG 104.A NH2 ASP 118.A OD2 no hydrogen 3.013 N/A VAL 105.A N ALA 117.A O no hydrogen 2.937 N/A GLU 106.A N THR 240.A O no hydrogen 2.912 N/A LEU 107.A N SER 115.A O no hydrogen 2.862 N/A GLU 108.A N LYS 238.A O no hydrogen 2.867 N/A ASP 109.A N ARG 113.A O no hydrogen 2.799 N/A TRP 110.A N TYR 234.A OH no hydrogen 3.089 N/A TRP 110.A NE1 SER 235.A O no hydrogen 2.838 N/A ARG 113.A NE ASP 109.A OD2 no hydrogen 2.978 N/A ARG 113.A NH2 ASP 109.A OD2 no hydrogen 3.291 N/A SER 115.A N LEU 107.A O no hydrogen 2.889 N/A THR 116.A N ASP 142.A OD1 no hydrogen 3.009 N/A ALA 117.A N VAL 105.A O no hydrogen 3.063 N/A ASP 118.A N GLY 140.A O no hydrogen 2.861 N/A TYR 119.A N LEU 103.A O no hydrogen 2.782 N/A TYR 119.A OH ASP 145.A OD1 no hydrogen 2.711 N/A ALA 120.A N TYR 137.A O no hydrogen 3.016 N/A PHE 122.A N TYR 101.A O no hydrogen 2.775 N/A LYS 123.A N THR 134.A O no hydrogen 2.964 N/A VAL 124.A N SER 94.A OG no hydrogen 3.134 N/A GLY 125.A N ARG 132.A O no hydrogen 2.851 N/A ASP 129.A N PRO 126.A O no hydrogen 3.031 N/A LYS 130.A N GLU 127.A O no hydrogen 2.798 N/A LYS 130.A NZ ASN 174.A OD1 no hydrogen 2.875 N/A LYS 130.A NZ ASN 176.A OD1 no hydrogen 3.395 N/A TYR 131.A N PRO 126.A O no hydrogen 2.915 N/A TYR 131.A OH GLU 88.A OE1 no hydrogen 2.685 N/A ARG 132.A NE GLY 166.A O no hydrogen 2.866 N/A ARG 132.A NH1 ASP 129.A OD2 no hydrogen 2.663 N/A ARG 132.A NH2 GLY 166.A O no hydrogen 3.431 N/A LEU 133.A N MET 167.A O no hydrogen 3.016 N/A THR 134.A N LYS 123.A O no hydrogen 3.165 N/A TYR 135.A N ASN 165.A OD1 no hydrogen 3.142 N/A ALA 136.A N ALA 120.A O no hydrogen 3.023 N/A ALA 139.A N ASP 118.A O no hydrogen 2.798 N/A ALA 143.A N THR 116.A O no hydrogen 2.798 N/A GLY 144.A N GLY 141.A O no hydrogen 3.194 N/A PHE 147.A N TYR 119.A OH no hydrogen 3.387 N/A GLY 149.A N ALA 146.A O no hydrogen 3.053 N/A PHE 150.A N THR 162.A OG1 no hydrogen 2.706 N/A GLY 153.A N ASP 158.A OD2 no hydrogen 2.705 N/A ASP 155.A N ASP 158.A OD1 no hydrogen 3.270 N/A ASP 155.A N ASP 158.A OD2 no hydrogen 3.172 N/A SER 157.A N ASP 155.A OD2 no hydrogen 3.096 N/A ASP 158.A N ASP 155.A O no hydrogen 3.119 N/A PHE 161.A N SER 157.A O no hydrogen 3.001 N/A THR 162.A N ASP 158.A O no hydrogen 2.901 N/A THR 162.A N LYS 159.A O no hydrogen 3.404 N/A THR 162.A OG1 PHE 150.A O no hydrogen 2.994 N/A THR 162.A OG1 ASP 158.A O no hydrogen 2.866 N/A HIS 164.A N PHE 147.A O no hydrogen 2.717 N/A HIS 164.A ND1 TRP 192.A O no hydrogen 2.686 N/A ASN 165.A ND2 TYR 135.A O no hydrogen 3.089 N/A GLY 166.A N LEU 133.A O no hydrogen 2.813 N/A MET 167.A N HIS 164.A O no hydrogen 3.107 N/A GLN 168.A NE2 ASP 129.A O no hydrogen 3.237 N/A GLN 168.A NE2 ASP 129.A OD1 no hydrogen 3.273 N/A PHE 169.A N LYS 130.A O no hydrogen 2.887 N/A SER 170.A N TRP 191.A O no hydrogen 2.833 N/A THR 171.A N ASN 174.A O no hydrogen 3.185 N/A THR 171.A OG1 ASP 173.A OD1 no hydrogen 2.870 N/A ASN 174.A N THR 171.A O no hydrogen 3.056 N/A ASN 176.A N SER 170.A OG no hydrogen 2.759 N/A ASN 176.A ND2 PHE 169.A O no hydrogen 2.919 N/A ASN 176.A ND2 ASN 174.A OD1 no hydrogen 2.743 N/A ASP 177.A N ASP 175.A OD1 no hydrogen 3.097 N/A LYS 178.A N ASN 194.A O no hydrogen 2.963 N/A PHE 179.A N ASP 177.A OD1 no hydrogen 2.905 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 3.045 N/A ASN 182.A ND2 TRP 172.A O no hydrogen 2.968 N/A CYS 183.A N ASP 177.A OD2 no hydrogen 2.976 N/A CYS 183.A SG ASN 194.A O no hydrogen 3.817 N/A GLU 185.A N ASN 182.A OD1 no hydrogen 3.086 N/A GLN 186.A N ASN 182.A O no hydrogen 2.989 N/A ASP 187.A N CYS 183.A O no hydrogen 2.980 N/A GLY 188.A N ALA 184.A O no hydrogen 2.682 N/A SER 189.A N ALA 184.A O no hydrogen 3.002 N/A SER 189.A OG HIS 200.A NE2 no hydrogen 2.823 N/A GLY 190.A N TYR 68.A OH no hydrogen 3.194 N/A TRP 191.A N SER 170.A O no hydrogen 2.926 N/A TRP 191.A NE1 GLY 199.A O no hydrogen 2.724 N/A TRP 192.A NE1 TYR 131.A O no hydrogen 2.903 N/A ASN 194.A N CYS 196.A O no hydrogen 2.929 N/A ASN 194.A ND2 PHE 160.A O no hydrogen 3.131 N/A ASN 194.A ND2 SER 163.A O no hydrogen 2.862 N/A LYS 195.A N PHE 161.A O no hydrogen 2.891 N/A LYS 195.A NZ GLU 180.A OE1 no hydrogen 3.000 N/A HIS 197.A ND1 HIS 197.A O no hydrogen 2.851 N/A HIS 197.A NE2 ASP 187.A OD2 no hydrogen 2.721 N/A ALA 198.A N HIS 164.A NE2 no hydrogen 3.281 N/A GLY 199.A N HIS 164.A NE2 no hydrogen 3.406 N/A HIS 200.A N ILE 225.A O no hydrogen 2.865 N/A HIS 200.A NE2 SER 189.A OG no hydrogen 2.823 N/A ASN 202.A ND2 GLY 190.A O no hydrogen 2.910 N/A VAL 204.A N ASN 222.A O no hydrogen 2.846 N/A TYR 205.A OH LYS 237.A O no hydrogen 2.783 N/A TYR 206.A OH ASN 222.A OD1 no hydrogen 2.814 N/A GLY 209.A N TYR 206.A O no hydrogen 3.402 N/A TYR 211.A N TRP 233.A O no hydrogen 3.108 N/A TYR 211.A OH ARG 232.A O no hydrogen 2.859 N/A SER 212.A N SER 215.A OG no hydrogen 2.898 N/A ALA 214.A N SER 212.A OG no hydrogen 3.294 N/A SER 215.A N SER 212.A O no hydrogen 3.035 N/A SER 215.A OG SER 212.A O no hydrogen 3.183 N/A GLY 219.A N THR 216.A O no hydrogen 3.174 N/A GLY 219.A N THR 216.A OG1 no hydrogen 3.286 N/A ASN 222.A ND2 ASP 187.A O no hydrogen 3.473 N/A GLY 223.A N TYR 211.A OH no hydrogen 3.071 N/A ILE 224.A N SER 235.A OG no hydrogen 2.991 N/A ILE 225.A N HIS 200.A O no hydrogen 3.065 N/A TRP 226.A NE1 GLY 144.A O no hydrogen 3.085 N/A ALA 227.A N ALA 198.A O no hydrogen 2.972 N/A THR 228.A OG1 ALA 143.A O no hydrogen 2.719 N/A TRP 229.A N TRP 226.A O no hydrogen 2.904 N/A LYS 230.A N TRP 226.A O no hydrogen 3.190 N/A LYS 230.A NZ ASP 109.A OD1 no hydrogen 3.273 N/A LYS 230.A NZ ASP 109.A OD2 no hydrogen 2.967 N/A ARG 232.A NE ASP 221.A OD2 no hydrogen 2.878 N/A ARG 232.A NH1 ASP 154.A OD1 no hydrogen 3.387 N/A ARG 232.A NH1 ASP 154.A OD2 no hydrogen 3.176 N/A ARG 232.A NH2 ASP 154.A OD2 no hydrogen 3.213 N/A ARG 232.A NH2 ASP 221.A OD2 no hydrogen 3.040 N/A TRP 233.A N THR 231.A OG1 no hydrogen 3.233 N/A TYR 234.A N THR 231.A O no hydrogen 2.918 N/A TYR 234.A OH ASP 109.A OD1 no hydrogen 2.982 N/A SER 235.A N GLY 209.A O no hydrogen 2.730 N/A SER 235.A OG VAL 204.A O no hydrogen 3.369 N/A MET 236.A N ILE 224.A O no hydrogen 2.978 N/A LYS 237.A N GLU 108.A O no hydrogen 2.890 N/A LYS 238.A N GLU 108.A O no hydrogen 3.356 N/A THR 239.A N ARG 54.A O no hydrogen 3.091 N/A THR 239.A OG1 GLN 52.A OE1 no hydrogen 2.904 N/A THR 240.A N GLU 106.A O no hydrogen 2.826 N/A MET 241.A N GLN 52.A O no hydrogen 3.087 N/A LYS 242.A N ARG 104.A O no hydrogen 3.109 N/A LYS 242.A NZ GLU 40.A OE1 no hydrogen 3.499 N/A LYS 242.A NZ GLU 40.A OE2 no hydrogen 2.735 N/A LYS 242.A NZ GLU 106.A OE1 no hydrogen 2.728 N/A ILE 243.A N THR 49.A O no hydrogen 2.967 N/A ILE 244.A N ALA 102.A O no hydrogen 3.188 N/A PHE 246.A N PRO 100.A O no hydrogen 2.807 N/A ARG 248.A N PRO 245.A O no hydrogen 2.794 N/A ARG 248.A NE ASN 46.A OD1 no hydrogen 2.977 N/A ARG 248.A NH2 ASN 46.A OD1 no hydrogen 2.712 N/A