Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5dfi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 5.A OD1 no hydrogen 2.575 N/A GLN 9.A N ASP 255.A OD2 no hydrogen 2.798 N/A THR 11.A N GLN 9.A OE1 no hydrogen 3.408 N/A THR 11.A OG1 GLN 9.A OE1 no hydrogen 3.347 N/A SER 12.A N LYS 16.A O no hydrogen 2.819 N/A SER 12.A OG SER 14.A OG no hydrogen 3.253 N/A SER 12.A OG LYS 16.A O no hydrogen 3.492 N/A SER 14.A OG SER 12.A OG no hydrogen 3.253 N/A GLY 15.A N SER 12.A O no hydrogen 2.797 N/A LYS 16.A N SER 12.A OG no hydrogen 3.071 N/A ALA 18.A N LYS 10.A O no hydrogen 2.899 N/A THR 19.A N LEU 274.A O no hydrogen 2.855 N/A THR 19.A OG1 LEU 274.A O no hydrogen 3.556 N/A LEU 20.A N LEU 274.A O no hydrogen 3.040 N/A LYS 21.A N ASP 48.A OD2 no hydrogen 2.872 N/A LYS 21.A NZ GLU 45.A O no hydrogen 2.777 N/A LYS 21.A NZ TYR 273.A OH no hydrogen 3.167 N/A ILE 22.A N LEU 272.A O no hydrogen 2.955 N/A CYS 23.A N ILE 49.A O no hydrogen 2.916 N/A CYS 23.A SG ILE 270.A O no hydrogen 3.653 N/A CYS 23.A SG THR 271.A OG1 no hydrogen 3.731 N/A SER 24.A N ILE 270.A O no hydrogen 2.784 N/A TRP 25.A N CYS 51.A O no hydrogen 2.879 N/A TRP 25.A NE1 HIS 267.A O no hydrogen 2.903 N/A ASN 26.A ND2 GLU 54.A OE1 no hydrogen 3.044 N/A ASN 26.A ND2 ASP 168.A OD2 no hydrogen 2.851 N/A VAL 27.A N GLN 53.A O no hydrogen 2.994 N/A ASP 28.A N ASN 26.A OD1 no hydrogen 2.881 N/A GLY 29.A N GLU 54.A O no hydrogen 2.941 N/A LEU 30.A N THR 55.A O no hydrogen 2.773 N/A ARG 31.A NH2 LYS 56.A O no hydrogen 2.954 N/A TRP 33.A N GLY 29.A O no hydrogen 2.847 N/A ILE 34.A N LEU 30.A O no hydrogen 2.959 N/A LYS 35.A N ARG 31.A O no hydrogen 3.183 N/A LYS 36.A N ALA 32.A O no hydrogen 2.913 N/A LYS 36.A NZ GLY 264.A O no hydrogen 3.235 N/A LYS 37.A N ILE 34.A O no hydrogen 2.936 N/A GLY 38.A N TRP 33.A O no hydrogen 2.986 N/A ASP 40.A N LYS 37.A O no hydrogen 3.022 N/A TRP 41.A N LYS 37.A O no hydrogen 3.411 N/A VAL 42.A N GLY 38.A O no hydrogen 3.094 N/A LYS 43.A N LEU 39.A O no hydrogen 2.961 N/A GLU 44.A N ASP 40.A O no hydrogen 3.214 N/A GLU 45.A N TRP 41.A O no hydrogen 3.008 N/A ALA 46.A N VAL 42.A O no hydrogen 2.839 N/A ASP 48.A N LYS 21.A O no hydrogen 2.731 N/A ILE 49.A N LYS 21.A O no hydrogen 3.269 N/A LEU 50.A N LEU 92.A O no hydrogen 2.745 N/A CYS 51.A N CYS 23.A O no hydrogen 2.834 N/A LEU 52.A N GLY 90.A O no hydrogen 2.815 N/A GLN 53.A N TRP 25.A O no hydrogen 3.010 N/A GLN 53.A NE2 SER 24.A OG no hydrogen 3.008 N/A GLN 53.A NE2 THR 127.A OG1 no hydrogen 2.991 N/A THR 55.A N GLY 88.A O no hydrogen 2.950 N/A LYS 56.A N SER 87.A O no hydrogen 2.866 N/A CYS 57.A SG SER 58.A O no hydrogen 3.502 N/A SER 58.A OG ASN 60.A OD1 no hydrogen 2.602 N/A LYS 61.A N SER 58.A O no hydrogen 2.938 N/A LEU 62.A N GLU 59.A O no hydrogen 3.328 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 3.121 N/A LEU 66.A N PRO 63.A O no hydrogen 3.146 N/A GLN 67.A N ALA 64.A O no hydrogen 2.778 N/A GLU 68.A N GLU 65.A O no hydrogen 2.990 N/A LEU 72.A N LEU 69.A O no hydrogen 3.130 N/A HIS 74.A N SER 93.A O no hydrogen 3.192 N/A GLN 75.A NE2 LEU 66.A O no hydrogen 2.870 N/A GLN 75.A NE2 LEU 72.A O no hydrogen 3.019 N/A TYR 76.A N LEU 91.A O no hydrogen 2.854 N/A SER 78.A N VAL 89.A O no hydrogen 2.903 N/A SER 81.A N GLN 111.A O no hydrogen 3.026 N/A SER 81.A OG ASP 82.A OD2 no hydrogen 2.974 N/A TYR 86.A N LYS 83.A O no hydrogen 3.062 N/A GLY 88.A N GLY 113.A O no hydrogen 2.988 N/A VAL 89.A N SER 78.A O no hydrogen 3.043 N/A GLY 90.A N LEU 52.A O no hydrogen 2.915 N/A LEU 91.A N TYR 76.A O no hydrogen 2.844 N/A LEU 92.A N LEU 50.A O no hydrogen 2.754 N/A SER 93.A N HIS 74.A O no hydrogen 2.814 N/A SER 93.A OG GLN 95.A O no hydrogen 2.641 N/A ARG 94.A N ASP 48.A O no hydrogen 2.818 N/A ARG 94.A NE ASP 48.A OD1 no hydrogen 2.900 N/A CYS 96.A SG HIS 74.A ND1 no hydrogen 3.828 N/A CYS 96.A SG TYR 76.A OH no hydrogen 3.737 N/A CYS 96.A SG PRO 97.A O no hydrogen 3.591 N/A LEU 98.A N GLU 119.A O no hydrogen 2.680 N/A LYS 99.A N GLU 119.A O no hydrogen 3.476 N/A SER 101.A N VAL 117.A O no hydrogen 2.883 N/A GLY 103.A N VAL 115.A O no hydrogen 2.937 N/A HIS 109.A N ASP 106.A O no hydrogen 2.998 N/A HIS 109.A ND1 ASP 106.A OD1 no hydrogen 2.861 N/A ASP 110.A N ASP 106.A O no hydrogen 2.857 N/A GLN 111.A NE2 ALA 79.A O no hydrogen 2.960 N/A GLU 112.A N GLU 107.A OE2 no hydrogen 3.217 N/A GLY 113.A N GLU 107.A OE1 no hydrogen 2.923 N/A ARG 114.A NH1.A TYR 129.A O no hydrogen 3.095 N/A ARG 114.A NH1.B TYR 142.A OH no hydrogen 3.085 N/A ARG 114.A NH2.B TYR 142.A OH no hydrogen 3.428 N/A ILE 116.A N THR 127.A O no hydrogen 3.050 N/A VAL 117.A N SER 101.A O no hydrogen 2.835 N/A ALA 118.A N LEU 125.A O no hydrogen 2.765 N/A GLU 119.A N LYS 99.A O no hydrogen 2.872 N/A PHE 120.A N PHE 123.A O no hydrogen 2.928 N/A VAL 124.A N PRO 162.A O no hydrogen 2.756 N/A LEU 125.A N ALA 118.A O no hydrogen 2.778 N/A VAL 126.A N VAL 164.A O no hydrogen 2.790 N/A THR 127.A N ILE 116.A O no hydrogen 2.905 N/A THR 127.A OG1 CYS 166.A O no hydrogen 3.279 N/A ALA 128.A N CYS 166.A O no hydrogen 3.031 N/A TYR 129.A N ARG 114.A O no hydrogen 2.822 N/A VAL 130.A N ASP 168.A O no hydrogen 2.953 N/A ASN 132.A ND2 ASN 170.A OD1 no hydrogen 3.326 N/A GLY 134.A N ASN 132.A OD1 no hydrogen 2.686 N/A LEU 137.A N GLY 134.A O no hydrogen 2.944 N/A VAL 138.A N ARG 135.A O no hydrogen 3.415 N/A ARG 139.A N ALA 133.A O no hydrogen 2.812 N/A LEU 140.A N LEU 137.A O no hydrogen 3.021 N/A ARG 143.A N ARG 139.A O no hydrogen 3.006 N/A ARG 143.A NE ASP 147.A OD1 no hydrogen 2.904 N/A ARG 143.A NE ASP 147.A OD2 no hydrogen 3.434 N/A ARG 143.A NH1 PRO 131.A O no hydrogen 2.911 N/A ARG 143.A NH1 ASN 170.A O no hydrogen 3.168 N/A ARG 143.A NH2 ASN 170.A O no hydrogen 3.088 N/A GLN 144.A N LEU 140.A O no hydrogen 2.915 N/A ARG 145.A N GLU 141.A O no hydrogen 3.001 N/A ARG 145.A NH1 GLU 141.A OE2 no hydrogen 3.460 N/A TRP 146.A N TYR 142.A O no hydrogen 2.793 N/A ASP 147.A N ARG 143.A O no hydrogen 2.764 N/A GLU 148.A N GLN 144.A O no hydrogen 3.217 N/A ALA 149.A N ARG 145.A O no hydrogen 3.071 N/A PHE 150.A N TRP 146.A O no hydrogen 2.828 N/A ARG 151.A N ASP 147.A O no hydrogen 2.920 N/A LYS 152.A N GLU 148.A O no hydrogen 3.061 N/A LYS 152.A NZ GLU 148.A OE1 no hydrogen 2.763 N/A PHE 153.A N ALA 149.A O no hydrogen 3.006 N/A LEU 154.A N PHE 150.A O no hydrogen 2.884 N/A LYS 155.A N ARG 151.A O no hydrogen 2.952 N/A LYS 155.A NZ ALA 204.A O no hydrogen 2.760 N/A GLY 156.A N LYS 152.A O no hydrogen 3.375 N/A LEU 157.A N PHE 153.A O no hydrogen 3.400 N/A ALA 158.A N LEU 154.A O no hydrogen 2.938 N/A SER 159.A N GLY 156.A O no hydrogen 3.159 N/A ARG 160.A N LEU 157.A O no hydrogen 3.112 N/A LYS 161.A NZ GLU 119.A OE1 no hydrogen 2.845 N/A LYS 161.A NZ PHE 120.A O no hydrogen 2.702 N/A LYS 161.A NZ ASP 121.A O no hydrogen 2.999 N/A LEU 163.A N SER 246.A OG no hydrogen 2.811 N/A VAL 164.A N VAL 124.A O no hydrogen 2.859 N/A LEU 165.A N LEU 244.A O no hydrogen 2.771 N/A CYS 166.A N VAL 126.A O no hydrogen 2.809 N/A CYS 166.A SG VAL 126.A O no hydrogen 3.950 N/A CYS 166.A SG THR 127.A OG1 no hydrogen 3.603 N/A GLY 167.A N TYR 242.A O no hydrogen 3.172 N/A ASP 168.A N ALA 128.A O no hydrogen 3.052 N/A LEU 169.A N LEU 240.A O no hydrogen 2.927 N/A ASN 170.A N ASP 168.A OD1 no hydrogen 2.964 N/A ASN 170.A ND2 VAL 130.A O no hydrogen 2.791 N/A ALA 172.A N GLY 189.A O no hydrogen 2.855 N/A HIS 173.A N TYR 242.A OH no hydrogen 3.156 N/A GLU 174.A N ASP 177.A OD2 no hydrogen 2.861 N/A ASP 177.A N GLU 174.A O no hydrogen 2.779 N/A LEU 178.A N GLU 175.A O no hydrogen 3.368 N/A ARG 179.A N GLY 237.A O no hydrogen 2.983 N/A ASN 184.A N PRO 181.A O no hydrogen 3.271 N/A ASN 184.A ND2 ASN 180.A O no hydrogen 2.939 N/A ASN 187.A N ASN 184.A O no hydrogen 2.915 N/A GLY 189.A N GLU 194.A OE1 no hydrogen 2.929 N/A GLY 189.A N GLU 194.A OE2 no hydrogen 3.042 N/A PHE 190.A N ASN 187.A O no hydrogen 3.033 N/A THR 191.A N GLU 194.A OE1 no hydrogen 3.233 N/A THR 191.A OG1 GLU 194.A OE1 no hydrogen 2.691 N/A GLU 194.A N THR 191.A OG1 no hydrogen 3.027 N/A ARG 195.A N THR 191.A O no hydrogen 3.026 N/A ARG 195.A NE HIS 173.A O no hydrogen 2.908 N/A ARG 195.A NH2 GLU 174.A OE1 no hydrogen 2.886 N/A GLN 196.A N PRO 192.A O no hydrogen 2.849 N/A GLY 197.A N GLN 193.A O no hydrogen 3.032 N/A PHE 198.A N GLU 194.A O no hydrogen 3.094 N/A GLY 199.A N ARG 195.A O no hydrogen 3.040 N/A GLU 200.A N GLN 196.A O no hydrogen 2.831 N/A LEU 201.A N GLY 197.A O no hydrogen 2.920 N/A LEU 202.A N PHE 198.A O no hydrogen 3.043 N/A GLN 203.A N GLY 199.A O no hydrogen 3.046 N/A ALA 204.A N GLU 200.A O no hydrogen 2.827 N/A VAL 205.A N LEU 201.A O no hydrogen 3.372 N/A LEU 207.A N LEU 202.A O no hydrogen 2.853 N/A ALA 208.A N LEU 245.A O no hydrogen 2.794 N/A SER 210.A N PHE 243.A O no hydrogen 2.999 N/A SER 210.A OG PHE 243.A O no hydrogen 2.751 N/A SER 210.A OG SER 256.A OG no hydrogen 2.842 N/A ARG 212.A N ASP 209.A OD1 no hydrogen 3.301 N/A ARG 212.A NH1 TYR 215.A O no hydrogen 2.863 N/A ARG 212.A NH1 THR 218.A O no hydrogen 2.795 N/A ARG 212.A NH2 ASP 177.A OD1 no hydrogen 2.809 N/A HIS 213.A N ASP 209.A O no hydrogen 2.846 N/A LEU 214.A N SER 210.A O no hydrogen 3.253 N/A LEU 214.A N PHE 211.A O no hydrogen 3.239 N/A TYR 215.A N PHE 211.A O no hydrogen 2.933 N/A TYR 215.A OH ASP 255.A OD1 no hydrogen 2.608 N/A TYR 215.A OH ASP 255.A OD2 no hydrogen 3.315 N/A THR 218.A N TYR 215.A O no hydrogen 3.383 N/A THR 223.A N TRP 238.A O no hydrogen 2.878 N/A THR 223.A OG1 TRP 238.A O no hydrogen 3.552 N/A THR 223.A OG1 ASP 241.A OD2 no hydrogen 2.697 N/A PHE 224.A N TRP 238.A O no hydrogen 2.918 N/A TRP 225.A N ASP 266.A O no hydrogen 3.011 N/A TRP 225.A NE1 ASN 235.A OD1 no hydrogen 2.933 N/A MET 228.A N THR 226.A OG1 no hydrogen 3.165 N/A ALA 231.A N MET 228.A O no hydrogen 3.209 N/A ARG 232.A NH2 SER 260.A O no hydrogen 2.862 N/A ARG 232.A NH2 ALA 262.A O no hydrogen 2.987 N/A SER 233.A OG ASN 230.A O no hydrogen 2.677 N/A LYS 234.A N ALA 231.A O no hydrogen 3.091 N/A LYS 234.A NZ MET 229.A O no hydrogen 2.941 N/A ASN 235.A N ARG 232.A O no hydrogen 3.012 N/A ASN 235.A ND2 ALA 1.A O no hydrogen 2.818 N/A ASN 235.A ND2 TYR 220.A O no hydrogen 3.048 N/A VAL 236.A N ALA 231.A O no hydrogen 3.004 N/A TRP 238.A N PHE 224.A O no hydrogen 2.869 N/A ARG 239.A N ASP 177.A O no hydrogen 2.677 N/A ARG 239.A NE ASP 177.A OD1 no hydrogen 2.840 N/A ARG 239.A NH1 ASP 209.A OD1 no hydrogen 3.060 N/A ARG 239.A NH1 ASP 209.A OD2 no hydrogen 3.415 N/A ARG 239.A NH2 ASP 177.A OD1 no hydrogen 2.909 N/A ARG 239.A NH2 ASP 209.A OD2 no hydrogen 2.812 N/A LEU 240.A N THR 223.A OG1 no hydrogen 3.015 N/A ASP 241.A N THR 223.A OG1 no hydrogen 3.144 N/A TYR 242.A N GLY 167.A O no hydrogen 3.021 N/A TYR 242.A OH VAL 171.A O no hydrogen 2.690 N/A LEU 244.A N LEU 165.A O no hydrogen 2.704 N/A LEU 245.A N ALA 208.A O no hydrogen 2.922 N/A SER 246.A N LEU 163.A O no hydrogen 2.943 N/A SER 246.A OG LEU 163.A O no hydrogen 3.482 N/A LEU 249.A N SER 246.A O no hydrogen 2.950 N/A LEU 250.A N HIS 247.A O no hydrogen 3.073 N/A ALA 252.A N LEU 249.A O no hydrogen 2.836 N/A LEU 253.A N LEU 250.A O no hydrogen 3.033 N/A CYS 254.A N TYR 273.A O no hydrogen 2.916 N/A CYS 254.A SG ALA 252.A O no hydrogen 3.870 N/A ASP 255.A N TYR 273.A O no hydrogen 3.447 N/A SER 256.A N ASP 255.A OD1 no hydrogen 2.850 N/A SER 256.A OG SER 210.A OG no hydrogen 2.842 N/A LYS 257.A N THR 271.A O no hydrogen 2.687 N/A LYS 257.A NZ PRO 6.A O no hydrogen 2.860 N/A LYS 257.A NZ PRO 7.A O no hydrogen 3.353 N/A LYS 257.A NZ ASP 255.A OD1 no hydrogen 3.542 N/A LYS 257.A NZ ASP 255.A OD2 no hydrogen 2.882 N/A ILE 258.A N ASP 5.A OD2 no hydrogen 2.880 N/A ARG 259.A N PRO 269.A O no hydrogen 2.872 N/A ARG 259.A NE GLU 45.A OE2 no hydrogen 2.810 N/A ARG 259.A NH1 ASP 8.A OD1 no hydrogen 2.825 N/A ARG 259.A NH1 ASP 8.A OD2 no hydrogen 3.568 N/A ARG 259.A NH2 ASP 8.A OD2 no hydrogen 2.939 N/A ARG 259.A NH2 GLU 45.A OE2 no hydrogen 3.052 N/A SER 260.A OG ILE 258.A O no hydrogen 3.493 N/A ALA 262.A N ARG 259.A O no hydrogen 3.153 N/A SER 265.A OG ASN 26.A O no hydrogen 2.695 N/A SER 265.A OG ASP 266.A OD1 no hydrogen 3.483 N/A HIS 267.A N SER 265.A OG no hydrogen 3.078 N/A HIS 267.A ND1 ASP 241.A OD2 no hydrogen 2.659 N/A CYS 268.A N THR 223.A O no hydrogen 2.939 N/A CYS 268.A SG TYR 222.A O no hydrogen 3.973 N/A CYS 268.A SG PRO 269.A O no hydrogen 3.580 N/A ILE 270.A N SER 24.A O no hydrogen 2.899 N/A THR 271.A N LYS 257.A O no hydrogen 3.096 N/A THR 271.A OG1 GLU 45.A OE2 no hydrogen 2.646 N/A LEU 272.A N ILE 22.A O no hydrogen 2.723 N/A TYR 273.A N ASP 255.A O no hydrogen 2.915 N/A TYR 273.A OH ASP 8.A OD2 no hydrogen 2.687 N/A LEU 274.A N LEU 20.A O no hydrogen 2.954 N/A ALA 275.A N ALA 252.A O no hydrogen 2.789 N/A LEU 276.A N THR 19.A OG1 no hydrogen 3.002 N/A