Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5aob_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH ASP 77.A OD2 no hydrogen 2.448 N/A ALA 11.A N MET 8.A O no hydrogen 3.064 N/A GLU 12.A N ILE 28.A O no hydrogen 2.900 N/A LYS 14.A N LEU 26.A O no hydrogen 3.036 N/A TYR 16.A N LEU 24.A O no hydrogen 2.785 N/A TYR 16.A OH ASP 77.A O no hydrogen 2.543 N/A LYS 17.A N LEU 24.A O no hydrogen 3.389 N/A LYS 17.A NZ ASP 94.A OD1 no hydrogen 2.754 N/A LYS 17.A NZ SER 97.A OG no hydrogen 3.007 N/A LYS 18.A NZ ASP 23.A OD1 no hydrogen 3.036 N/A VAL 19.A N VAL 22.A O no hydrogen 2.986 N/A VAL 22.A N VAL 19.A O no hydrogen 2.735 N/A LEU 24.A N LYS 17.A O no hydrogen 2.760 N/A LEU 26.A N LYS 14.A O no hydrogen 2.776 N/A TYR 27.A N ALA 75.A O no hydrogen 2.918 N/A ILE 28.A N GLU 12.A O no hydrogen 2.726 N/A TYR 29.A N ALA 73.A O no hydrogen 2.682 N/A LYS 30.A NZ GLU 12.A OE1 no hydrogen 2.868 N/A TRP 34.A N PRO 31.A O no hydrogen 3.061 N/A TRP 34.A NE1 LEU 109.A O no hydrogen 2.797 N/A LYS 35.A N ASP 38.A OD2 no hydrogen 2.911 N/A ASP 38.A N LYS 35.A O no hydrogen 3.109 N/A ARG 40.A N GLY 110.A O no hydrogen 2.807 N/A ARG 40.A NE ASP 38.A OD2 no hydrogen 2.781 N/A ARG 40.A NH1 GLY 70.A O no hydrogen 2.888 N/A ARG 40.A NH2 ASP 33.A OD2 no hydrogen 3.398 N/A ARG 40.A NH2 ASP 38.A OD2 no hydrogen 3.052 N/A SER 41.A OG PHE 273.A O no hydrogen 2.732 N/A ALA 42.A N LYS 115.A O no hydrogen 2.804 N/A ILE 43.A N VAL 72.A O no hydrogen 2.988 N/A VAL 44.A N VAL 117.A O no hydrogen 2.838 N/A PHE 45.A N MET 74.A O no hydrogen 2.750 N/A PHE 46.A N SER 119.A O no hydrogen 2.787 N/A GLY 48.A N GLN 58.A OE1 no hydrogen 2.899 N/A GLN 52.A N GLY 49.A O no hydrogen 2.938 N/A SER 53.A N GLY 49.A O no hydrogen 2.996 N/A SER 55.A OG ARG 3.A O no hydrogen 2.602 N/A ALA 57.A N SER 55.A OG no hydrogen 3.223 N/A GLN 58.A N SER 55.A O no hydrogen 3.069 N/A GLN 58.A NE2 ASN 248.A OD1 no hydrogen 2.885 N/A PHE 59.A N PRO 56.A O no hydrogen 3.202 N/A ARG 60.A N ALA 57.A O no hydrogen 3.110 N/A ARG 60.A NE.A GLU 64.A OE2 no hydrogen 2.757 N/A ARG 60.A NH2.A GLU 64.A OE2 no hydrogen 3.398 N/A GLN 62.A N GLN 62.A OE1 no hydrogen 2.755 N/A CYS 63.A N PHE 59.A O no hydrogen 2.984 N/A CYS 63.A SG PHE 59.A O no hydrogen 3.433 N/A GLU 64.A N ARG 60.A O no hydrogen 3.011 N/A TYR 65.A N PRO 61.A O no hydrogen 2.962 N/A TYR 65.A OH ASP 265.A OD2 no hydrogen 2.484 N/A PHE 66.A N GLN 62.A O no hydrogen 2.961 N/A ALA 67.A N CYS 63.A O no hydrogen 2.880 N/A GLY 68.A N GLU 64.A O no hydrogen 2.992 N/A ARG 69.A N TYR 65.A O no hydrogen 3.121 N/A ARG 69.A N PHE 66.A O no hydrogen 3.122 N/A ARG 69.A NE ASP 265.A OD2 no hydrogen 2.676 N/A ARG 69.A NH1 ALA 275.A O no hydrogen 3.201 N/A ARG 69.A NH2 ASP 265.A OD1 no hydrogen 2.868 N/A ARG 69.A NH2 ASP 265.A OD2 no hydrogen 3.568 N/A ARG 69.A NH2 ALA 275.A O no hydrogen 2.889 N/A GLY 70.A N ALA 67.A O no hydrogen 3.011 N/A MET 71.A N PHE 66.A O no hydrogen 3.015 N/A VAL 72.A N SER 41.A O no hydrogen 3.095 N/A ALA 73.A N TYR 29.A O no hydrogen 2.954 N/A MET 74.A N ILE 43.A O no hydrogen 2.824 N/A ALA 75.A N TYR 27.A O no hydrogen 3.061 N/A ALA 76.A N PHE 45.A O no hydrogen 2.934 N/A ASP 77.A N LYS 25.A O no hydrogen 2.834 N/A TYR 78.A N ASP 77.A OD1 no hydrogen 2.851 N/A TYR 78.A OH PHE 47.A O no hydrogen 2.612 N/A ARG 79.A N ASP 94.A OD2 no hydrogen 3.046 N/A ARG 79.A NE ASP 94.A OD1 no hydrogen 3.385 N/A ARG 79.A NE ASP 94.A OD2 no hydrogen 2.869 N/A ARG 79.A NH1 ASP 20.A OD2 no hydrogen 2.821 N/A ARG 79.A NH2 ASP 94.A OD1 no hydrogen 2.864 N/A VAL 80.A N HIS 84.A ND1 no hydrogen 3.134 N/A GLY 81.A N TRP 51.A O no hydrogen 2.952 N/A SER 82.A N GLN 52.A O no hydrogen 2.935 N/A SER 82.A OG GLN 52.A O no hydrogen 2.676 N/A ARG 83.A NH1 GLY 54.A O no hydrogen 3.405 N/A ARG 83.A NH2 GLY 54.A O no hydrogen 2.822 N/A HIS 84.A N VAL 80.A O no hydrogen 2.856 N/A ASN 85.A N GLY 81.A O no hydrogen 3.005 N/A LYS 87.A N ASP 90.A OD2 no hydrogen 2.882 N/A LYS 87.A NZ.A GLU 182.A O no hydrogen 2.666 N/A LYS 87.A NZ.A GLU 182.A OE2.B no hydrogen 3.443 N/A ALA 89.A N LEU 184.A O no hydrogen 2.998 N/A ASP 90.A N LYS 87.A O no hydrogen 2.906 N/A CYS 91.A N LYS 87.A O no hydrogen 3.351 N/A CYS 91.A SG ARG 79.A O no hydrogen 3.230 N/A CYS 91.A SG LYS 87.A O no hydrogen 3.698 N/A VAL 92.A N VAL 88.A O no hydrogen 2.994 N/A ALA 93.A N ALA 89.A O no hydrogen 2.985 N/A ASP 94.A N ASP 90.A O no hydrogen 2.919 N/A ALA 95.A N CYS 91.A O no hydrogen 2.981 N/A LYS 96.A N VAL 92.A O no hydrogen 2.956 N/A LYS 96.A NZ VAL 134.A O no hydrogen 2.696 N/A LYS 96.A NZ ASP 136.A OD1 no hydrogen 2.765 N/A SER 97.A N ALA 93.A O no hydrogen 2.839 N/A SER 97.A OG ALA 93.A O no hydrogen 2.994 N/A ALA 98.A N ASP 94.A O no hydrogen 2.846 N/A ILE 99.A N ALA 95.A O no hydrogen 3.212 N/A ARG 100.A N LYS 96.A O no hydrogen 3.017 N/A ARG 100.A NE.B ILE 146.A O no hydrogen 2.622 N/A ARG 100.A NH2.A ASP 136.A OD2 no hydrogen 2.819 N/A ARG 100.A NH2.B ASP 136.A OD2 no hydrogen 3.260 N/A ARG 100.A NH2.B ILE 146.A O no hydrogen 2.843 N/A TRP 101.A N SER 97.A O no hydrogen 2.981 N/A VAL 102.A N ALA 98.A O no hydrogen 2.996 N/A ARG 103.A N ILE 99.A O no hydrogen 2.916 N/A ARG 103.A NE PRO 113.A O no hydrogen 2.800 N/A ARG 103.A NH1 SER 147.A O no hydrogen 2.766 N/A ARG 103.A NH1 GLN 149.A O no hydrogen 2.832 N/A ARG 103.A NH2 PRO 113.A O no hydrogen 3.133 N/A ARG 103.A NH2 GLN 149.A O no hydrogen 2.902 N/A ARG 103.A NH2 ASN 151.A OD1 no hydrogen 2.857 N/A GLN 104.A N ARG 100.A O no hydrogen 2.712 N/A HIS 105.A N TRP 101.A O no hydrogen 2.836 N/A HIS 105.A ND1 GLU 108.A OE1.A no hydrogen 2.801 N/A ALA 106.A N ARG 103.A O no hydrogen 3.162 N/A LEU 109.A N HIS 105.A O no hydrogen 3.094 N/A GLY 110.A N ALA 107.A O no hydrogen 3.085 N/A VAL 111.A N ALA 106.A O no hydrogen 2.888 N/A ASP 112.A N ARG 40.A O no hydrogen 2.747 N/A GLN 114.A N ASP 112.A OD1 no hydrogen 2.944 N/A LYS 115.A N ASP 112.A O no hydrogen 2.880 N/A LYS 115.A NZ GLY 272.A O no hydrogen 3.249 N/A ILE 116.A N ASN 151.A OD1 no hydrogen 3.064 N/A VAL 117.A N ALA 42.A O no hydrogen 2.792 N/A ALA 118.A N ALA 152.A O no hydrogen 2.947 N/A SER 119.A N VAL 44.A O no hydrogen 2.880 N/A SER 119.A OG ILE 154.A O no hydrogen 2.542 N/A GLY 120.A N ILE 154.A O no hydrogen 3.382 N/A GLY 121.A N PHE 46.A O no hydrogen 3.255 N/A SER 122.A N PHE 156.A O no hydrogen 2.896 N/A SER 122.A OG HIS 244.A NE2 no hydrogen 2.918 N/A GLY 124.A N GLY 121.A O no hydrogen 2.812 N/A HIS 126.A N SER 122.A O no hydrogen 2.868 N/A HIS 126.A NE2 VAL 191.A O no hydrogen 2.656 N/A LEU 127.A N ALA 123.A O no hydrogen 3.009 N/A ALA 128.A N GLY 124.A O no hydrogen 3.002 N/A ALA 129.A N GLY 125.A O no hydrogen 2.870 N/A CYS 130.A N HIS 126.A O no hydrogen 2.853 N/A CYS 130.A SG HIS 126.A NE2 no hydrogen 3.413 N/A CYS 130.A SG HIS 126.A O no hydrogen 3.360 N/A THR 131.A N LEU 127.A O no hydrogen 2.976 N/A THR 131.A OG1 ALA 128.A O no hydrogen 2.754 N/A VAL 132.A N ALA 128.A O no hydrogen 3.330 N/A VAL 132.A N ALA 129.A O no hydrogen 3.085 N/A MET 133.A N ALA 129.A O no hydrogen 3.037 N/A VAL 134.A N CYS 130.A O no hydrogen 3.006 N/A ILE 146.A N ASP 143.A O no hydrogen 3.307 N/A SER 148.A OG ASP 136.A OD1 no hydrogen 2.573 N/A SER 148.A OG ASP 136.A OD2 no hydrogen 3.363 N/A GLN 149.A N SER 147.A OG no hydrogen 3.055 N/A GLN 149.A NE2 VAL 132.A O no hydrogen 2.754 N/A ALA 150.A N THR 131.A O no hydrogen 3.119 N/A ASN 151.A N ILE 116.A O no hydrogen 2.833 N/A ASN 151.A ND2 GLN 114.A OE1 no hydrogen 2.799 N/A ALA 153.A N PRO 203.A O no hydrogen 3.002 N/A ILE 154.A N ALA 118.A O no hydrogen 2.992 N/A LEU 155.A N ILE 205.A O no hydrogen 2.862 N/A PHE 156.A N GLY 120.A O no hydrogen 2.890 N/A ASN 157.A N PHE 207.A O no hydrogen 2.704 N/A ASN 157.A ND2 ASN 157.A O no hydrogen 2.748 N/A LEU 162.A N SER 192.A OG no hydrogen 2.983 N/A SER 163.A OG GLU 177.A OE1 no hydrogen 2.778 N/A ARG 164.A N GLU 177.A OE2 no hydrogen 2.991 N/A GLU 165.A N SER 163.A OG no hydrogen 3.127 N/A LEU 167.A N ARG 164.A O no hydrogen 3.253 N/A ARG 173.A NE ASP 175.A OD1 no hydrogen 3.004 N/A ARG 173.A NH2 ASP 175.A OD2 no hydrogen 3.025 N/A TRP 176.A N ARG 173.A O no hydrogen 2.927 N/A GLU 177.A N ARG 173.A O no hydrogen 3.326 N/A GLU 178.A N GLN 174.A O no hydrogen 2.961 N/A ARG 179.A N ASP 175.A O no hydrogen 3.001 N/A ARG 179.A NH2 ASP 175.A OD2 no hydrogen 3.066 N/A LEU 180.A N TRP 176.A O no hydrogen 3.048 N/A ARG 181.A N GLU 177.A O no hydrogen 2.871 N/A ARG 181.A NE GLU 178.A OE1.B no hydrogen 2.942 N/A GLU 182.A N GLU 178.A O no hydrogen 3.185 N/A ARG 183.A N ARG 179.A O no hydrogen 2.993 N/A LEU 184.A N LEU 180.A O no hydrogen 2.760 N/A GLY 185.A N ARG 181.A O no hydrogen 3.030 N/A LYS 189.A NZ.A GLU 165.A OE1 no hydrogen 2.758 N/A LYS 189.A NZ.A GLU 165.A OE2 no hydrogen 3.309 N/A LYS 189.A NZ.A GLU 187.A OE2.B no hydrogen 3.157 N/A ALA 190.A N GLU 187.A O no hydrogen 2.928 N/A VAL 191.A N PRO 188.A O no hydrogen 3.149 N/A SER 192.A N LYS 189.A O no hydrogen 3.209 N/A SER 192.A OG HIS 195.A ND1 no hydrogen 2.673 N/A TYR 194.A N LEU 160.A O no hydrogen 2.858 N/A HIS 195.A N SER 192.A O no hydrogen 2.912 N/A HIS 195.A ND1 SER 192.A OG no hydrogen 2.673 N/A HIS 195.A NE2 GLU 165.A O no hydrogen 2.828 N/A HIS 196.A N PRO 193.A O no hydrogen 2.919 N/A HIS 196.A NE2 LYS 189.A O no hydrogen 2.735 N/A LEU 201.A N ASN 232.A OD1 no hydrogen 2.914 N/A MET 204.A N ARG 233.A O no hydrogen 2.908 N/A ILE 205.A N ALA 153.A O no hydrogen 3.085 N/A ILE 206.A N GLU 235.A O no hydrogen 2.743 N/A PHE 207.A N LEU 155.A O no hydrogen 2.895 N/A HIS 208.A N VAL 237.A O no hydrogen 3.178 N/A HIS 208.A NE2 VAL 215.A O no hydrogen 2.783 N/A THR 210.A N PHE 239.A O no hydrogen 2.902 N/A THR 210.A OG1 GLU 240.A OE1.A no hydrogen 3.125 N/A ALA 211.A N ALA 242.A O no hydrogen 3.003 N/A THR 214.A N ASP 212.A OD1 no hydrogen 2.779 N/A VAL 215.A N ASP 212.A OD1 no hydrogen 2.778 N/A THR 219.A N PRO 216.A O no hydrogen 3.050 N/A THR 219.A OG1 PRO 216.A O no hydrogen 2.727 N/A ARG 221.A N PHE 217.A O no hydrogen 2.989 N/A ARG 221.A NE GLU 218.A OE1 no hydrogen 2.823 N/A ARG 221.A NH2 GLU 218.A OE1 no hydrogen 3.542 N/A ARG 221.A NH2 GLU 218.A OE2 no hydrogen 2.960 N/A LEU 222.A N GLU 218.A O no hydrogen 3.010 N/A PHE 223.A N THR 219.A O no hydrogen 3.049 N/A ALA 224.A N ILE 220.A O no hydrogen 2.811 N/A GLU 225.A N ARG 221.A O no hydrogen 2.857 N/A ALA 226.A N LEU 222.A O no hydrogen 3.048 N/A MET 227.A N PHE 223.A O no hydrogen 2.909 N/A LYS 228.A N ALA 224.A O no hydrogen 2.988 N/A LYS 228.A NZ CYS 234.A O no hydrogen 3.055 N/A LYS 229.A N GLU 225.A O no hydrogen 3.047 N/A ALA 230.A N ALA 226.A O no hydrogen 3.017 N/A GLY 231.A N LYS 228.A O no hydrogen 2.758 N/A ASN 232.A N MET 227.A O no hydrogen 3.010 N/A ASN 232.A ND2 ARG 198.A O no hydrogen 2.792 N/A ASN 232.A ND2 MET 227.A O no hydrogen 3.610 N/A ARG 233.A NH1.B GLU 235.A OE2 no hydrogen 3.408 N/A GLU 235.A N MET 204.A O no hydrogen 2.904 N/A VAL 237.A N ILE 206.A O no hydrogen 2.839 N/A PHE 239.A N HIS 208.A O no hydrogen 2.863 N/A GLY 241.A N THR 210.A OG1 no hydrogen 2.906 N/A ALA 242.A N PHE 239.A O no hydrogen 3.063 N/A HIS 244.A ND1 ASP 212.A OD2 no hydrogen 2.744 N/A HIS 244.A NE2 SER 122.A OG no hydrogen 2.918 N/A GLY 245.A N ASN 157.A OD1 no hydrogen 2.919 N/A PHE 246.A N ALA 243.A O no hydrogen 3.087 N/A ASN 248.A N GLY 245.A O no hydrogen 3.076 N/A ASN 248.A ND2 GLY 245.A O no hydrogen 2.949 N/A GLY 250.A N ASN 254.A OD1 no hydrogen 2.510 N/A ARG 251.A N ASN 248.A O no hydrogen 3.269 N/A ARG 251.A NH1.B GLY 245.A O no hydrogen 3.551 N/A ARG 251.A NH2.A HIS 244.A O no hydrogen 2.697 N/A ASN 254.A N ARG 251.A O no hydrogen 2.764 N/A LEU 255.A N GLY 252.A O no hydrogen 3.224 N/A GLN 258.A N ASN 254.A O no hydrogen 2.979 N/A GLN 258.A NE2.B GLU 262.A OE2.A no hydrogen 2.601 N/A LYS 259.A N LEU 255.A O no hydrogen 2.950 N/A THR 260.A N ALA 256.A O no hydrogen 2.868 N/A THR 260.A OG1 ALA 256.A O no hydrogen 3.090 N/A THR 260.A OG1 TYR 257.A O no hydrogen 2.906 N/A LEU 261.A N TYR 257.A O no hydrogen 3.104 N/A GLU 262.A N GLN 258.A O no hydrogen 2.979 N/A LEU 263.A N LYS 259.A O no hydrogen 2.973 N/A ALA 264.A N THR 260.A O no hydrogen 2.820 N/A ASP 265.A N LEU 261.A O no hydrogen 2.877 N/A GLU 266.A N GLU 262.A O no hydrogen 2.895 N/A PHE 267.A N LEU 263.A O no hydrogen 2.912 N/A LEU 268.A N ALA 264.A O no hydrogen 3.012 N/A VAL 269.A N ASP 265.A O no hydrogen 3.003 N/A GLU 270.A N GLU 266.A O no hydrogen 2.804 N/A ILE 271.A N PHE 267.A O no hydrogen 2.927 N/A GLY 272.A N VAL 269.A O no hydrogen 2.978 N/A PHE 273.A N LEU 268.A O no hydrogen 2.771 N/A LEU 274.A N LEU 268.A O no hydrogen 3.187 N/A LYS 277.A NZ TYR 65.A OH no hydrogen 3.416 N/A