Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sbq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 6.A N GLU 9.A OE1 no hydrogen 3.143 N/A GLU 9.A N GLY 6.A O no hydrogen 3.011 N/A ASP 12.A N VAL 30.A O no hydrogen 2.991 N/A TYR 13.A N VAL 30.A O no hydrogen 2.942 N/A TYR 13.A OH ASP 388.A OD2 no hydrogen 2.746 N/A TYR 14.A N ALA 442.A O no hydrogen 2.860 N/A GLY 15.A N LEU 28.A O no hydrogen 2.868 N/A PHE 16.A N ILE 440.A O no hydrogen 2.722 N/A TRP 17.A N ARG 26.A O no hydrogen 2.733 N/A TRP 17.A NE1 ASP 414.A OD2 no hydrogen 2.837 N/A SER 18.A N ASP 438.A O no hydrogen 3.218 N/A SER 18.A OG HIS 72.A O no hydrogen 3.392 N/A SER 18.A OG ASP 438.A O no hydrogen 2.678 N/A HIS 21.A N ALA 434.A O no hydrogen 3.182 N/A GLN 22.A N GLY 19.A O no hydrogen 3.133 N/A GLY 23.A N GLY 20.A O no hydrogen 3.097 N/A VAL 25.A N ILE 39.A O no hydrogen 2.942 N/A ARG 26.A N TRP 17.A O no hydrogen 2.868 N/A ARG 26.A NE GLU 24.A OE2 no hydrogen 2.884 N/A ARG 26.A NH1 PHE 433.A O no hydrogen 2.825 N/A ARG 26.A NH2 PHE 433.A O no hydrogen 3.119 N/A VAL 27.A N MET 37.A O no hydrogen 2.854 N/A LEU 28.A N GLY 15.A O no hydrogen 2.680 N/A GLY 29.A N ARG 34.A O no hydrogen 2.811 N/A VAL 30.A N TYR 13.A O no hydrogen 2.877 N/A SER 32.A N ASP 11.A OD2 no hydrogen 3.030 N/A SER 32.A OG ASP 11.A OD1 no hydrogen 3.180 N/A SER 32.A OG ASP 11.A OD2 no hydrogen 2.596 N/A SER 32.A OG GLY 29.A O no hydrogen 3.356 N/A MET 33.A N GLY 29.A O no hydrogen 2.665 N/A ARG 34.A N SER 32.A OG no hydrogen 3.428 N/A ARG 34.A NE SER 32.A OG no hydrogen 2.818 N/A ARG 34.A NH2 ASP 11.A OD1 no hydrogen 2.980 N/A LEU 36.A N VAL 27.A O no hydrogen 2.598 N/A MET 37.A N VAL 27.A O no hydrogen 3.272 N/A ARG 38.A NE GLU 35.A OE1 no hydrogen 2.881 N/A ILE 39.A N VAL 25.A O no hydrogen 2.802 N/A VAL 41.A N ASN 43.A OD1 no hydrogen 2.879 N/A PHE 42.A N GLY 23.A O no hydrogen 2.973 N/A ASP 45.A N TRP 50.A O no hydrogen 2.901 N/A ALA 47.A N ASP 45.A OD1 no hydrogen 2.990 N/A THR 48.A N ASP 45.A OD2 no hydrogen 2.893 N/A THR 48.A OG1 ASP 45.A OD2 no hydrogen 2.627 N/A GLY 49.A N ASP 45.A O no hydrogen 2.910 N/A TRP 50.A N THR 48.A OG1 no hydrogen 3.393 N/A TRP 50.A NE1 VAL 41.A O no hydrogen 2.784 N/A GLY 51.A N SER 56.A OG no hydrogen 2.782 N/A LEU 52.A N GLY 49.A O no hydrogen 2.747 N/A THR 53.A N GLY 49.A O no hydrogen 2.946 N/A THR 53.A OG1 SER 56.A OG no hydrogen 2.761 N/A ASN 54.A N SER 546.A O no hydrogen 2.956 N/A SER 56.A N THR 53.A OG1 no hydrogen 3.093 N/A SER 56.A OG THR 53.A O no hydrogen 3.068 N/A SER 56.A OG THR 53.A OG1 no hydrogen 2.761 N/A ARG 57.A N THR 53.A O no hydrogen 3.133 N/A ARG 57.A NH1 GLY 51.A O no hydrogen 3.059 N/A ARG 57.A NH1 ALA 64.A O no hydrogen 3.548 N/A HIS 58.A N ASN 54.A O no hydrogen 3.073 N/A ILE 59.A N GLU 55.A O no hydrogen 3.344 N/A MET 60.A N SER 56.A O no hydrogen 2.932 N/A GLY 61.A N HIS 58.A O no hydrogen 3.217 N/A SER 63.A OG MET 60.A O no hydrogen 2.632 N/A ALA 64.A N GLY 61.A O no hydrogen 3.014 N/A LYS 65.A N ASP 62.A O no hydrogen 3.373 N/A PHE 66.A N SER 63.A O no hydrogen 3.076 N/A ASP 70.A N ASP 92.A OD1 no hydrogen 2.853 N/A CYS 71.A N GLY 20.A O no hydrogen 2.938 N/A CYS 71.A SG GLY 20.A O no hydrogen 3.783 N/A CYS 71.A SG GLU 24.A O no hydrogen 3.259 N/A HIS 73.A ND1 HIS 121.A O no hydrogen 2.838 N/A HIS 75.A N PHE 89.A O no hydrogen 2.969 N/A HIS 75.A ND1 GLU 383.A OE1 no hydrogen 2.820 N/A SER 77.A N TYR 87.A O no hydrogen 2.821 N/A SER 77.A OG ASP 84.A OD1 no hydrogen 2.516 N/A SER 77.A OG TYR 87.A O no hydrogen 3.499 N/A MET 78.A N THR 131.A OG1 no hydrogen 2.887 N/A THR 79.A N LYS 82.A O no hydrogen 2.766 N/A THR 79.A OG1 ASP 84.A OD2 no hydrogen 3.014 N/A ASP 80.A N PRO 129.A O no hydrogen 2.706 N/A GLY 81.A N LYS 127.A O no hydrogen 2.975 N/A LYS 82.A N THR 79.A O no hydrogen 3.104 N/A LYS 82.A NZ ASN 385.A OD1 no hydrogen 3.004 N/A ASP 84.A N SER 77.A O no hydrogen 3.003 N/A LYS 86.A N ASP 84.A OD1 no hydrogen 2.911 N/A LYS 86.A NZ GLU 168.A OE2 no hydrogen 2.813 N/A TYR 87.A N SER 77.A OG no hydrogen 2.883 N/A TYR 87.A OH GLU 168.A OE1 no hydrogen 2.750 N/A LEU 88.A N ILE 101.A O no hydrogen 2.999 N/A PHE 89.A N HIS 75.A O no hydrogen 2.859 N/A ILE 90.A N ALA 99.A O no hydrogen 3.099 N/A ASP 92.A N ARG 97.A O no hydrogen 2.841 N/A LYS 93.A N ASP 70.A O no hydrogen 2.787 N/A LYS 93.A NZ GLU 139.A OE1 no hydrogen 2.651 N/A LYS 93.A NZ GLU 139.A OE2 no hydrogen 3.378 N/A ALA 94.A N ASP 92.A OD1 no hydrogen 2.889 N/A ASN 95.A N ASP 92.A OD1 no hydrogen 3.329 N/A ASN 95.A N ASP 92.A OD2 no hydrogen 3.115 N/A ASN 95.A ND2 ASN 68.A O no hydrogen 3.039 N/A ARG 97.A N ASP 92.A O no hydrogen 3.221 N/A ARG 97.A NE ASP 92.A OD2 no hydrogen 2.882 N/A ARG 97.A NH1 SER 63.A OG no hydrogen 3.065 N/A ARG 97.A NH2 ASP 92.A OD2 no hydrogen 2.896 N/A VAL 98.A N ILE 112.A O no hydrogen 3.000 N/A ALA 99.A N ILE 90.A O no hydrogen 2.982 N/A ARG 100.A N LYS 110.A O no hydrogen 2.962 N/A ARG 100.A NE ASP 109.A OD1 no hydrogen 3.065 N/A ARG 100.A NH1 ALA 167.A O no hydrogen 2.979 N/A ARG 100.A NH1 GLU 168.A O no hydrogen 2.841 N/A ARG 100.A NH2 ASP 109.A OD2 no hydrogen 2.785 N/A ILE 101.A N LEU 88.A O no hydrogen 2.674 N/A ARG 102.A N LYS 107.A O no hydrogen 2.789 N/A ARG 102.A NE ASP 104.A OD1 no hydrogen 2.992 N/A ARG 102.A NH1 ASP 457.A OD1 no hydrogen 3.498 N/A ARG 102.A NH1 ASP 457.A OD2 no hydrogen 2.840 N/A ARG 102.A NH2 ASP 104.A OD1 no hydrogen 3.388 N/A ARG 102.A NH2 ASP 104.A OD2 no hydrogen 2.973 N/A ARG 102.A NH2 ASP 457.A OD1 no hydrogen 2.677 N/A LEU 103.A N LYS 86.A O no hydrogen 3.185 N/A ILE 105.A N ARG 102.A O no hydrogen 3.293 N/A LYS 107.A N ARG 102.A O no hydrogen 3.457 N/A LYS 107.A NZ GLU 538.A OE1 no hydrogen 2.983 N/A CYS 108.A SG ARG 100.A O no hydrogen 3.617 N/A CYS 108.A SG LYS 110.A O no hydrogen 3.511 N/A ASP 109.A N ARG 100.A O no hydrogen 2.892 N/A LYS 110.A N ARG 100.A O no hydrogen 3.474 N/A ILE 112.A N VAL 98.A O no hydrogen 3.004 N/A VAL 114.A N SER 96.A O no hydrogen 3.035 N/A ASN 116.A ND2 LEU 238.A O no hydrogen 3.029 N/A ALA 119.A N SER 96.A OG no hydrogen 2.891 N/A HIS 121.A N ASN 137.A O no hydrogen 2.973 N/A HIS 121.A ND1 ASP 183.A O no hydrogen 3.049 N/A ARG 124.A N PHE 135.A O no hydrogen 2.956 N/A ARG 124.A NE GLU 383.A OE2 no hydrogen 2.859 N/A ARG 124.A NH1 THR 185.A O no hydrogen 3.128 N/A ARG 124.A NH2 GLU 383.A OE2 no hydrogen 3.542 N/A GLN 126.A N TYR 133.A O no hydrogen 3.098 N/A GLN 126.A NE2 VAL 128.A O no hydrogen 2.814 N/A LYS 127.A NZ GLU 383.A O no hydrogen 2.891 N/A THR 131.A N MET 78.A O no hydrogen 2.990 N/A THR 131.A OG1 GLN 126.A O no hydrogen 2.793 N/A TYR 133.A N GLN 126.A OE1 no hydrogen 3.343 N/A TYR 133.A OH GLU 227.A OE1 no hydrogen 2.608 N/A VAL 134.A N ILE 165.A O no hydrogen 2.701 N/A PHE 135.A N ARG 124.A O no hydrogen 2.774 N/A ALA 136.A N ASN 163.A O no hydrogen 2.995 N/A ASN 137.A N GLY 122.A O no hydrogen 2.842 N/A GLU 139.A N ALA 119.A O no hydrogen 2.878 N/A PHE 140.A N GLN 118.A O no hydrogen 3.317 N/A ILE 142.A N TYR 159.A O no hydrogen 3.166 N/A HIS 144.A ND1 ASN 157.A O no hydrogen 3.069 N/A LYS 149.A N ASP 147.A OD1 no hydrogen 3.307 N/A GLN 154.A N ASP 152.A OD1 no hydrogen 3.123 N/A GLN 154.A NE2 GLU 202.A O no hydrogen 3.186 N/A ASP 155.A N ASP 152.A O no hydrogen 3.455 N/A ASN 157.A N ASP 155.A OD2 no hydrogen 2.930 N/A SER 158.A N ASP 155.A O no hydrogen 2.871 N/A SER 158.A OG ASP 152.A O no hydrogen 2.694 N/A TYR 159.A N ILE 142.A O no hydrogen 3.026 N/A THR 160.A OG1 ALA 138.A O no hydrogen 2.700 N/A THR 160.A OG1 PHE 140.A O no hydrogen 3.569 N/A MET 161.A N THR 160.A OG1 no hydrogen 2.850 N/A TYR 162.A N VAL 176.A O no hydrogen 2.801 N/A TYR 162.A OH THR 185.A OG1 no hydrogen 2.661 N/A ASN 163.A N ALA 136.A O no hydrogen 2.954 N/A ASN 163.A ND2 ALA 136.A O no hydrogen 3.095 N/A ALA 164.A N PHE 174.A O no hydrogen 2.893 N/A ILE 165.A N VAL 134.A O no hydrogen 2.883 N/A ASP 166.A N GLU 171.A O no hydrogen 2.938 N/A ALA 167.A N LYS 132.A O no hydrogen 3.089 N/A GLU 168.A N ASP 166.A OD1 no hydrogen 2.932 N/A THR 169.A N ASP 166.A OD1 no hydrogen 3.129 N/A MET 170.A N ASP 166.A O no hydrogen 2.746 N/A GLU 171.A N THR 169.A OG1 no hydrogen 3.318 N/A ALA 173.A N ALA 164.A O no hydrogen 2.749 N/A PHE 174.A N ALA 164.A O no hydrogen 3.289 N/A GLN 175.A N PRO 244.A O no hydrogen 2.770 N/A GLN 175.A NE2 PRO 115.A O no hydrogen 3.080 N/A GLN 175.A NE2 ASN 163.A OD1 no hydrogen 2.724 N/A VAL 176.A N TYR 162.A O no hydrogen 2.788 N/A ILE 177.A N LEU 246.A O no hydrogen 2.848 N/A VAL 178.A N THR 160.A O no hydrogen 3.176 N/A ASP 179.A N TYR 261.A OH no hydrogen 3.089 N/A ASN 181.A ND2 GLU 139.A O no hydrogen 3.107 N/A ASP 183.A N THR 197.A O no hydrogen 2.825 N/A ASN 184.A N THR 197.A OG1 no hydrogen 2.983 N/A ASN 184.A ND2 HIS 73.A NE2 no hydrogen 3.279 N/A THR 185.A OG1 TYR 162.A OH no hydrogen 2.661 N/A THR 185.A OG1 ALA 195.A O no hydrogen 2.641 N/A ASP 186.A N ALA 195.A O no hydrogen 2.997 N/A ALA 187.A N ASP 186.A OD1 no hydrogen 2.656 N/A ASP 188.A N PHE 193.A O no hydrogen 3.153 N/A THR 190.A N ASP 188.A OD1 no hydrogen 3.016 N/A THR 190.A OG1 ASP 188.A OD2 no hydrogen 2.576 N/A GLY 191.A N ASP 188.A OD1 no hydrogen 2.673 N/A ARG 192.A N THR 190.A OG1 no hydrogen 3.122 N/A ARG 192.A NE ASP 222.A OD1 no hydrogen 3.133 N/A ARG 192.A NE ASP 222.A OD2 no hydrogen 3.426 N/A ARG 192.A NH2 ASP 222.A OD2 no hydrogen 2.962 N/A PHE 193.A N ASP 188.A OD2 no hydrogen 2.987 N/A ALA 194.A N PHE 221.A O no hydrogen 3.239 N/A ALA 195.A N ASP 186.A O no hydrogen 2.817 N/A ALA 196.A N VAL 219.A O no hydrogen 2.863 N/A THR 197.A N ASN 184.A O no hydrogen 2.926 N/A THR 197.A OG1 ASN 184.A O no hydrogen 3.257 N/A THR 197.A OG1 HIS 269.A O no hydrogen 2.778 N/A CYS 198.A N TRP 217.A O no hydrogen 3.168 N/A CYS 198.A SG ASN 181.A OD1 no hydrogen 3.667 N/A TYR 199.A N ASN 181.A OD1 no hydrogen 2.886 N/A TYR 199.A OH GLU 139.A OE2 no hydrogen 2.676 N/A ASN 200.A N ASN 181.A OD1 no hydrogen 2.806 N/A ASN 200.A ND2 ALA 204.A O no hydrogen 2.974 N/A SER 201.A N ASP 216.A OD2 no hydrogen 3.148 N/A SER 201.A OG ASP 216.A OD2 no hydrogen 2.627 N/A GLU 202.A N GLU 202.A OE1 no hydrogen 2.839 N/A LYS 203.A N ASN 200.A O no hydrogen 3.042 N/A LYS 203.A NZ SER 158.A O no hydrogen 2.628 N/A ALA 204.A N ASN 200.A OD1 no hydrogen 2.968 N/A GLY 209.A N ASP 206.A OD1 no hydrogen 2.702 N/A MET 210.A N ASP 206.A O no hydrogen 2.935 N/A MET 211.A N GLY 208.A O no hydrogen 2.992 N/A ARG 212.A N GLY 209.A O no hydrogen 3.335 N/A ASN 213.A N GLU 202.A OE2 no hydrogen 2.967 N/A ASN 213.A ND2 SER 201.A OG no hydrogen 2.839 N/A ASP 216.A N VAL 264.A O no hydrogen 2.933 N/A VAL 218.A N VAL 262.A O no hydrogen 2.723 N/A VAL 219.A N ALA 196.A O no hydrogen 2.798 N/A VAL 220.A N ARG 260.A O no hydrogen 2.906 N/A PHE 221.A N ALA 194.A O no hydrogen 2.791 N/A ASP 222.A N PHE 258.A O no hydrogen 3.031 N/A ILE 223.A N ARG 192.A O no hydrogen 2.889 N/A ALA 225.A N ASP 222.A OD1 no hydrogen 3.484 N/A VAL 226.A N ASP 222.A O no hydrogen 2.935 N/A GLU 227.A N ILE 223.A O no hydrogen 2.745 N/A ALA 228.A N HIS 224.A O no hydrogen 2.904 N/A ALA 229.A N ALA 225.A O no hydrogen 3.028 N/A VAL 230.A N VAL 226.A O no hydrogen 3.030 N/A LYS 231.A N GLU 227.A O no hydrogen 2.947 N/A ALA 232.A N ALA 228.A O no hydrogen 3.206 N/A GLY 233.A N VAL 230.A O no hydrogen 3.084 N/A ASP 234.A N ALA 229.A O no hydrogen 3.064 N/A PHE 235.A N GLY 233.A O no hydrogen 3.051 N/A ILE 236.A N VAL 245.A O no hydrogen 3.112 N/A SER 241.A N LEU 238.A O no hydrogen 3.375 N/A THR 243.A N SER 241.A OG no hydrogen 3.358 N/A THR 243.A OG1 SER 241.A OG no hydrogen 3.123 N/A VAL 245.A N ILE 236.A O no hydrogen 3.082 N/A LEU 246.A N GLN 175.A O no hydrogen 2.874 N/A GLY 248.A N ILE 177.A O no hydrogen 2.835 N/A ARG 249.A N ASP 247.A OD1 no hydrogen 3.059 N/A ARG 249.A NE ASP 247.A OD1 no hydrogen 3.070 N/A ARG 249.A NH1 GLU 156.A O.A no hydrogen 2.782 N/A ARG 249.A NH1 GLU 156.A O.B no hydrogen 2.796 N/A ARG 249.A NH2 ASP 247.A OD2 no hydrogen 2.998 N/A LYS 250.A N ASP 179.A OD2 no hydrogen 2.757 N/A LYS 251.A N LYS 254.A O no hydrogen 2.986 N/A LYS 254.A N LYS 251.A O no hydrogen 2.835 N/A SER 256.A OG ASP 247.A O no hydrogen 3.546 N/A SER 256.A OG THR 259.A OG1 no hydrogen 3.320 N/A LYS 257.A NZ ALA 225.A O no hydrogen 3.215 N/A PHE 258.A N SER 256.A OG no hydrogen 2.922 N/A THR 259.A OG1 GLY 248.A O no hydrogen 2.590 N/A THR 259.A OG1 SER 256.A OG no hydrogen 3.320 N/A ARG 260.A N VAL 220.A O no hydrogen 3.092 N/A ARG 260.A NE LEU 301.A O no hydrogen 3.008 N/A ARG 260.A NH1 SER 256.A O no hydrogen 2.880 N/A ARG 260.A NH1 THR 259.A O no hydrogen 2.934 N/A TYR 261.A OH GLY 248.A O no hydrogen 2.695 N/A VAL 262.A N VAL 218.A O no hydrogen 2.789 N/A VAL 264.A N ASP 216.A O no hydrogen 3.085 N/A LYS 266.A N GLY 284.A O no hydrogen 2.877 N/A LYS 266.A NZ MET 211.A O no hydrogen 3.207 N/A ASN 267.A N ASP 216.A OD1 no hydrogen 3.009 N/A ASN 267.A ND2 MET 210.A O no hydrogen 3.165 N/A HIS 269.A N ALA 283.A O no hydrogen 2.940 N/A HIS 269.A ND1 ASP 183.A OD2 no hydrogen 2.730 N/A HIS 269.A NE2 HIS 325.A NE2 no hydrogen 2.904 N/A ASN 272.A N ILE 281.A O no hydrogen 3.042 N/A THR 273.A N ASP 186.A OD2 no hydrogen 2.792 N/A THR 273.A OG1 ALA 187.A O no hydrogen 2.718 N/A SER 274.A N TYR 279.A O no hydrogen 2.974 N/A SER 274.A OG ASP 276.A OD1 no hydrogen 2.716 N/A SER 274.A OG TYR 279.A O no hydrogen 3.527 N/A GLY 277.A N SER 274.A O no hydrogen 2.755 N/A LYS 278.A N ASP 276.A OD1 no hydrogen 2.864 N/A TYR 279.A N SER 274.A OG no hydrogen 3.017 N/A TYR 279.A OH GLU 350.A OE1 no hydrogen 2.619 N/A PHE 280.A N ILE 293.A O no hydrogen 3.137 N/A ILE 281.A N ASN 272.A O no hydrogen 2.714 N/A ALA 282.A N SER 291.A O no hydrogen 2.920 N/A ALA 283.A N GLY 270.A O no hydrogen 3.118 N/A GLY 284.A N THR 289.A O no hydrogen 2.767 N/A LYS 285.A N PRO 323.A O no hydrogen 2.895 N/A LYS 285.A NZ ASN 267.A O no hydrogen 3.525 N/A LEU 286.A N LYS 266.A O no hydrogen 3.148 N/A SER 287.A N GLY 284.A O no hydrogen 2.946 N/A SER 287.A OG THR 289.A OG1 no hydrogen 2.753 N/A THR 289.A N SER 287.A O no hydrogen 2.666 N/A THR 289.A OG1 SER 287.A OG no hydrogen 2.753 N/A CYS 290.A N PRO 317.A O no hydrogen 3.137 N/A SER 291.A N ALA 282.A O no hydrogen 2.890 N/A SER 291.A OG GLU 316.A OE2 no hydrogen 2.825 N/A MET 292.A N GLY 315.A O no hydrogen 2.821 N/A ILE 293.A N PHE 280.A O no hydrogen 2.838 N/A ALA 294.A N VAL 312.A O no hydrogen 2.835 N/A ILE 295.A N LYS 278.A O no hydrogen 2.907 N/A LYS 297.A N ALA 294.A O no hydrogen 3.063 N/A LYS 297.A NZ ASP 311.A O no hydrogen 2.531 N/A LEU 298.A N ILE 295.A O no hydrogen 3.083 N/A LEU 301.A N LYS 297.A O no hydrogen 3.097 N/A PHE 302.A N LEU 298.A O no hydrogen 2.999 N/A PHE 302.A N PRO 299.A O no hydrogen 3.253 N/A ALA 303.A N PRO 299.A O no hydrogen 2.846 N/A LYS 305.A N ASP 300.A O no hydrogen 2.881 N/A ARG 310.A N ASP 308.A OD1 no hydrogen 2.975 N/A ARG 310.A NH1 PRO 263.A O no hydrogen 2.974 N/A ARG 310.A NH1 GLU 316.A OE2 no hydrogen 3.014 N/A ARG 310.A NH2 GLU 316.A OE1 no hydrogen 2.995 N/A ARG 310.A NH2 GLU 316.A OE2 no hydrogen 3.435 N/A ASP 311.A N ASP 308.A O no hydrogen 2.924 N/A VAL 312.A N PRO 309.A O no hydrogen 3.322 N/A ILE 313.A N ARG 310.A O no hydrogen 3.005 N/A VAL 314.A N MET 292.A O no hydrogen 2.995 N/A LEU 319.A N PRO 288.A O no hydrogen 2.935 N/A GLY 320.A N PRO 288.A O no hydrogen 3.467 N/A LEU 321.A N ASP 341.A OD2 no hydrogen 3.098 N/A LEU 324.A N THR 337.A O no hydrogen 2.946 N/A HIS 325.A N THR 337.A OG1 no hydrogen 3.111 N/A THR 326.A N ASN 272.A OD1 no hydrogen 2.943 N/A THR 326.A OG1 THR 336.A OG1 no hydrogen 2.738 N/A THR 327.A N TYR 335.A O no hydrogen 2.816 N/A PHE 328.A N THR 327.A OG1 no hydrogen 2.854 N/A ASP 329.A N ASN 333.A O no hydrogen 3.428 N/A ARG 331.A N ASP 329.A OD1 no hydrogen 2.880 N/A ARG 331.A NH1 GLY 389.A O no hydrogen 2.955 N/A ARG 331.A NH1 ILE 419.A O no hydrogen 3.254 N/A ARG 331.A NH2 ILE 419.A O no hydrogen 2.799 N/A ASN 333.A N ASP 329.A OD1 no hydrogen 3.116 N/A ASN 333.A ND2 ASP 329.A OD2 no hydrogen 3.092 N/A ALA 334.A N TRP 347.A O no hydrogen 2.735 N/A TYR 335.A N THR 327.A O no hydrogen 2.865 N/A TYR 335.A OH ASP 329.A OD2 no hydrogen 2.656 N/A THR 336.A N VAL 345.A O no hydrogen 2.953 N/A THR 336.A OG1 THR 326.A OG1 no hydrogen 2.738 N/A THR 337.A N HIS 325.A O no hydrogen 3.004 N/A THR 337.A OG1 HIS 325.A O no hydrogen 3.425 N/A THR 337.A OG1 GLY 375.A O no hydrogen 2.673 N/A LEU 338.A N GLN 343.A O no hydrogen 2.824 N/A PHE 339.A N GLY 322.A O no hydrogen 2.717 N/A ILE 340.A N LEU 321.A O no hydrogen 3.237 N/A ASP 341.A N LEU 321.A O no hydrogen 3.353 N/A SER 342.A OG VAL 370.A O no hydrogen 2.724 N/A GLN 343.A N LEU 338.A O no hydrogen 3.225 N/A GLN 343.A NE2 ASP 369.A OD1 no hydrogen 3.083 N/A VAL 344.A N LEU 368.A O no hydrogen 2.920 N/A VAL 345.A N THR 336.A O no hydrogen 2.848 N/A LYS 346.A N GLN 366.A O no hydrogen 2.890 N/A LYS 346.A NZ ASP 422.A O no hydrogen 2.840 N/A TRP 347.A N ALA 334.A O no hydrogen 2.871 N/A TRP 347.A NE1 THR 336.A OG1 no hydrogen 3.057 N/A ASN 348.A N TYR 363.A O no hydrogen 2.884 N/A MET 349.A N GLY 332.A O no hydrogen 3.093 N/A GLU 351.A N ASN 348.A OD1 no hydrogen 3.049 N/A ALA 352.A N ASN 348.A O no hydrogen 3.013 N/A VAL 353.A N MET 349.A O no hydrogen 3.181 N/A ARG 354.A N GLU 350.A O no hydrogen 3.108 N/A ARG 354.A NE GLU 359.A OE1 no hydrogen 3.091 N/A ARG 354.A NH2 GLU 359.A OE2 no hydrogen 2.801 N/A ALA 355.A N GLU 351.A O no hydrogen 2.862 N/A TYR 356.A N ALA 352.A O no hydrogen 3.048 N/A LYS 357.A N ARG 354.A O no hydrogen 3.086 N/A GLY 358.A N ALA 355.A O no hydrogen 2.961 N/A GLU 359.A N ARG 354.A O no hydrogen 3.249 N/A TYR 363.A OH GLU 318.A O no hydrogen 3.203 N/A ILE 364.A N ASN 362.A OD1 no hydrogen 3.144 N/A LYS 365.A N LYS 346.A O no hydrogen 2.846 N/A LYS 365.A NZ GLU 351.A OE1 no hydrogen 2.717 N/A LYS 365.A NZ ASN 362.A O no hydrogen 3.315 N/A GLN 366.A N LYS 346.A O no hydrogen 3.465 N/A LYS 367.A NZ LEU 319.A O no hydrogen 2.826 N/A LEU 368.A N VAL 344.A O no hydrogen 2.945 N/A VAL 370.A N SER 342.A O no hydrogen 2.946 N/A HIS 371.A ND1 GLN 415.A OE1 no hydrogen 2.923 N/A GLN 373.A N SER 342.A OG no hydrogen 2.804 N/A GLN 373.A NE2 PHE 339.A O no hydrogen 3.066 N/A GLN 373.A NE2 ILE 340.A O no hydrogen 3.605 N/A GLY 375.A N LEU 395.A O no hydrogen 2.978 N/A HIS 378.A N VAL 393.A O no hydrogen 2.850 N/A ALA 379.A N THR 327.A OG1 no hydrogen 2.891 N/A SER 380.A N TRP 391.A O no hydrogen 2.881 N/A SER 380.A OG ASP 388.A OD1 no hydrogen 2.548 N/A SER 380.A OG TRP 391.A O no hydrogen 3.405 N/A CYS 382.A N ALA 379.A O no hydrogen 3.059 N/A CYS 382.A SG ALA 379.A O no hydrogen 3.234 N/A THR 384.A N LEU 381.A O no hydrogen 2.886 N/A THR 384.A OG1 LEU 381.A O no hydrogen 2.717 N/A ASN 385.A N GLY 81.A O no hydrogen 2.983 N/A ASN 385.A ND2 ASP 80.A O no hydrogen 3.273 N/A GLU 386.A N THR 384.A OG1 no hydrogen 3.194 N/A ALA 387.A N THR 384.A O no hydrogen 3.144 N/A ASP 388.A N SER 380.A O no hydrogen 3.360 N/A LYS 390.A N ASP 388.A OD1 no hydrogen 3.205 N/A TRP 391.A N SER 380.A OG no hydrogen 2.961 N/A LEU 392.A N ILE 417.A O no hydrogen 2.712 N/A VAL 393.A N HIS 378.A O no hydrogen 2.931 N/A ALA 394.A N GLN 415.A O no hydrogen 2.952 N/A LEU 395.A N HIS 376.A O no hydrogen 2.945 N/A SER 396.A N ASN 413.A O no hydrogen 2.834 N/A LYS 397.A N GLN 373.A O no hydrogen 3.021 N/A LYS 397.A NZ GLU 435.A OE2 no hydrogen 2.972 N/A PHE 398.A N TYR 372.A O no hydrogen 2.957 N/A SER 399.A OG PRO 411.A O no hydrogen 3.014 N/A ARG 402.A N SER 399.A O no hydrogen 2.914 N/A ARG 402.A NE ASP 429.A OD2 no hydrogen 2.800 N/A ARG 402.A NH2 ASP 429.A OD1 no hydrogen 3.512 N/A ARG 402.A NH2 ASP 429.A OD2 no hydrogen 3.001 N/A GLU 412.A N THR 432.A O no hydrogen 2.869 N/A ASN 413.A N SER 396.A O no hydrogen 3.025 N/A ASN 413.A ND2 HIS 371.A O no hydrogen 2.842 N/A ASN 413.A ND2 ASP 429.A OD2 no hydrogen 3.330 N/A ASP 414.A N GLY 430.A O no hydrogen 2.770 N/A GLN 415.A N ALA 394.A O no hydrogen 2.928 N/A LEU 416.A N HIS 428.A O no hydrogen 2.838 N/A ILE 417.A N LEU 392.A O no hydrogen 2.591 N/A ASP 418.A N LYS 425.A O no hydrogen 3.091 N/A ILE 419.A N LYS 390.A O no hydrogen 3.110 N/A SER 420.A N ASP 418.A OD1 no hydrogen 2.946 N/A SER 420.A OG ASP 418.A OD1 no hydrogen 2.663 N/A SER 420.A OG ASP 418.A OD2 no hydrogen 3.551 N/A LYS 425.A N ASP 418.A O no hydrogen 3.154 N/A VAL 427.A N LEU 416.A O no hydrogen 2.925 N/A HIS 428.A N LEU 416.A O no hydrogen 3.292 N/A GLY 430.A N ASP 414.A O no hydrogen 2.692 N/A THR 432.A N GLU 412.A O no hydrogen 3.169 N/A THR 432.A OG1 ASP 414.A OD2 no hydrogen 2.881 N/A HIS 437.A N SER 18.A OG no hydrogen 2.811 N/A ASP 438.A N SER 18.A OG no hydrogen 3.221 N/A ASP 438.A N HIS 72.A O no hydrogen 3.141 N/A CYS 439.A N ASP 438.A OD1 no hydrogen 2.851 N/A ILE 440.A N PHE 16.A O no hydrogen 2.947 N/A MET 441.A N HIS 378.A NE2 no hydrogen 3.307 N/A ALA 442.A N TYR 14.A O no hydrogen 2.898 N/A ARG 443.A N GLN 446.A OE1 no hydrogen 2.736 N/A ARG 443.A NE ASP 445.A OD1 no hydrogen 2.992 N/A ARG 443.A NH1 GLU 386.A OE1 no hydrogen 2.773 N/A ARG 443.A NH2 ASP 445.A OD1 no hydrogen 3.272 N/A ARG 444.A N ASP 12.A O no hydrogen 3.151 N/A GLN 446.A N ARG 443.A O no hydrogen 2.910 N/A ILE 447.A N ARG 444.A O no hydrogen 3.223 N/A LYS 450.A N ASP 104.A O no hydrogen 2.884 N/A TRP 453.A N PRO 541.A O no hydrogen 3.326 N/A ARG 455.A NE ASP 475.A OD1 no hydrogen 2.778 N/A ARG 455.A NH1 GLN 542.A O no hydrogen 2.783 N/A ARG 455.A NH1 THR 544.A OG1 no hydrogen 2.985 N/A ARG 455.A NH2 THR 544.A OG1 no hydrogen 2.951 N/A ASP 457.A N ASP 454.A O no hydrogen 2.893 N/A PHE 459.A N ASP 457.A OD2 no hydrogen 2.761 N/A PHE 460.A N ASP 457.A O no hydrogen 3.324 N/A ALA 461.A N PRO 458.A O no hydrogen 3.223 N/A THR 463.A N PHE 460.A O no hydrogen 3.005 N/A THR 463.A OG1 GLU 55.A OE2 no hydrogen 2.598 N/A VAL 464.A N PHE 460.A O no hydrogen 3.239 N/A GLU 465.A N ALA 461.A O no hydrogen 3.061 N/A MET 466.A N PRO 462.A O no hydrogen 2.960 N/A ALA 467.A N THR 463.A O no hydrogen 2.969 N/A LYS 468.A N VAL 464.A O no hydrogen 2.922 N/A LYS 469.A N GLU 465.A O no hydrogen 3.170 N/A ASP 470.A N MET 466.A O no hydrogen 3.254 N/A ASP 470.A N ALA 467.A O no hydrogen 2.992 N/A GLY 471.A N LYS 468.A O no hydrogen 3.084 N/A ILE 472.A N ALA 467.A O no hydrogen 2.885 N/A ASN 473.A N ASP 477.A OD2 no hydrogen 2.819 N/A ASP 475.A N ASN 473.A OD1 no hydrogen 3.210 N/A THR 476.A N ASN 473.A O no hydrogen 3.058 N/A THR 476.A OG1 ASN 473.A O no hydrogen 3.384 N/A THR 476.A OG1 ASP 477.A OD1 no hydrogen 2.598 N/A ASP 477.A N ASN 473.A O no hydrogen 2.859 N/A ASN 478.A ND2 THR 492.A OG1 no hydrogen 3.250 N/A LYS 479.A N TYR 490.A O no hydrogen 2.909 N/A ILE 481.A N ARG 488.A O no hydrogen 2.928 N/A ARG 482.A NH1 THR 504.A O no hydrogen 2.816 N/A ARG 482.A NH2 THR 504.A O no hydrogen 2.955 N/A ASP 483.A N LYS 486.A O no hydrogen 2.975 N/A LYS 486.A N ASP 483.A O no hydrogen 2.893 N/A LYS 486.A NZ GLU 510.A OE2 no hydrogen 3.347 N/A VAL 487.A N GLU 510.A O no hydrogen 3.003 N/A ARG 488.A N ILE 481.A O no hydrogen 2.844 N/A ARG 488.A NE ASP 470.A OD2 no hydrogen 2.655 N/A ARG 488.A NH1 ASP 483.A OD2 no hydrogen 3.242 N/A ARG 488.A NH2 ASP 470.A OD1 no hydrogen 2.796 N/A ARG 488.A NH2 ASP 470.A OD2 no hydrogen 3.388 N/A VAL 489.A N THR 512.A O no hydrogen 2.776 N/A TYR 490.A N LYS 479.A O no hydrogen 2.861 N/A TYR 490.A OH ASP 470.A OD2 no hydrogen 2.671 N/A MET 491.A N THR 514.A O no hydrogen 2.932 N/A THR 492.A N ASN 478.A OD1 no hydrogen 2.850 N/A THR 492.A OG1 ASN 478.A OD1 no hydrogen 3.454 N/A SER 493.A N THR 516.A O no hydrogen 2.864 N/A SER 493.A OG HIS 526.A ND1 no hydrogen 2.619 N/A MET 494.A N ALA 497.A O no hydrogen 3.056 N/A ALA 495.A N ASP 519.A OD2 no hydrogen 2.868 N/A ALA 497.A N MET 494.A O no hydrogen 2.822 N/A GLY 499.A N THR 492.A O no hydrogen 2.740 N/A PHE 503.A N ARG 575.A O no hydrogen 3.094 N/A VAL 505.A N MET 577.A O no hydrogen 2.777 N/A LYS 506.A N ASP 509.A OD2 no hydrogen 2.933 N/A GLN 507.A N GLU 579.A O no hydrogen 2.863 N/A GLN 507.A NE2 ASP 552.A O no hydrogen 3.426 N/A GLY 508.A N ALA 551.A O no hydrogen 2.752 N/A ASP 509.A N LYS 506.A O no hydrogen 3.054 N/A GLU 510.A N ASN 485.A O no hydrogen 2.871 N/A VAL 511.A N PHE 549.A O no hydrogen 2.723 N/A THR 512.A N VAL 487.A O no hydrogen 2.826 N/A THR 512.A OG1 THR 548.A OG1 no hydrogen 2.811 N/A VAL 513.A N ILE 547.A O no hydrogen 2.857 N/A THR 514.A N VAL 489.A O no hydrogen 2.789 N/A ILE 515.A N SER 545.A O no hydrogen 2.839 N/A THR 516.A N MET 491.A O no hydrogen 2.967 N/A THR 516.A OG1 THR 544.A OG1 no hydrogen 2.663 N/A ASN 517.A N GLN 543.A O no hydrogen 3.025 N/A ASN 517.A ND2 VAL 524.A O no hydrogen 3.060 N/A ASN 517.A ND2 ILE 539.A O no hydrogen 2.904 N/A ILE 518.A N SER 493.A O no hydrogen 2.950 N/A ASP 519.A N ASN 517.A OD1 no hydrogen 2.932 N/A VAL 524.A N ILE 521.A O no hydrogen 3.430 N/A SER 525.A N ASP 523.A O no hydrogen 2.951 N/A SER 525.A OG SER 540.A OG no hydrogen 2.968 N/A HIS 526.A N ILE 539.A O no hydrogen 2.767 N/A HIS 526.A ND1 SER 493.A OG no hydrogen 2.619 N/A HIS 526.A NE2 ASP 519.A OD2 no hydrogen 2.822 N/A PHE 528.A N MET 537.A O no hydrogen 2.942 N/A VAL 529.A N TYR 560.A O no hydrogen 2.879 N/A VAL 530.A N VAL 535.A O no hydrogen 3.088 N/A VAL 531.A N TRP 558.A O no hydrogen 2.900 N/A HIS 533.A N VAL 530.A O no hydrogen 3.280 N/A HIS 533.A ND1 VAL 531.A O no hydrogen 2.836 N/A SER 536.A OG SER 46.A O no hydrogen 2.719 N/A MET 537.A N PHE 528.A O no hydrogen 3.036 N/A GLU 538.A N THR 48.A O no hydrogen 3.087 N/A ILE 539.A N HIS 526.A O no hydrogen 2.747 N/A SER 540.A N GLN 543.A OE1 no hydrogen 2.774 N/A SER 540.A OG SER 525.A OG no hydrogen 2.968 N/A SER 540.A OG GLU 538.A OE2 no hydrogen 2.786 N/A GLN 542.A N ASN 517.A O no hydrogen 2.721 N/A GLN 543.A N SER 540.A O no hydrogen 2.816 N/A THR 544.A OG1 THR 516.A OG1 no hydrogen 2.663 N/A SER 545.A N ILE 515.A O no hydrogen 2.895 N/A SER 545.A OG GLU 538.A O no hydrogen 3.036 N/A SER 546.A N GLU 55.A OE1 no hydrogen 2.970 N/A SER 546.A OG ASN 54.A OD1 no hydrogen 3.204 N/A SER 546.A OG GLU 55.A OE2 no hydrogen 2.719 N/A ILE 547.A N VAL 513.A O no hydrogen 3.020 N/A THR 548.A OG1 ASN 54.A OD1 no hydrogen 2.793 N/A THR 548.A OG1 THR 512.A OG1 no hydrogen 2.811 N/A PHE 549.A N VAL 511.A O no hydrogen 2.877 N/A ALA 551.A N ASP 509.A O no hydrogen 2.908 N/A ASP 552.A N VAL 550.A O no hydrogen 3.007 N/A LYS 553.A NZ ASP 552.A OD1 no hydrogen 3.142 N/A GLY 555.A N VAL 578.A O no hydrogen 2.920 N/A HIS 557.A N MET 576.A O no hydrogen 2.873 N/A HIS 557.A NE2 PRO 554.A O no hydrogen 3.038 N/A TYR 559.A N GLY 574.A O no hydrogen 2.901 N/A TYR 559.A OH VAL 500.A O no hydrogen 2.741 N/A TYR 560.A N VAL 529.A O no hydrogen 2.977 N/A CYS 561.A N MET 572.A O no hydrogen 3.004 N/A CYS 561.A SG TRP 563.A O no hydrogen 3.294 N/A LEU 568.A N HIS 566.A ND1 no hydrogen 3.283 N/A HIS 569.A N HIS 566.A O no hydrogen 2.995 N/A GLU 571.A N LEU 568.A O no hydrogen 3.125 N/A GLU 571.A N GLU 571.A OE1 no hydrogen 2.749 N/A MET 572.A N HIS 569.A O no hydrogen 2.835 N/A GLY 574.A N TYR 559.A O no hydrogen 2.898 N/A ARG 575.A N GLN 501.A O no hydrogen 2.850 N/A MET 576.A N HIS 557.A O no hydrogen 2.760 N/A MET 577.A N PHE 503.A O no hydrogen 2.842 N/A VAL 578.A N GLY 555.A O no hydrogen 2.857 N/A GLU 579.A N VAL 505.A O no hydrogen 2.838 N/A ALA 581.A N GLN 507.A OE1 no hydrogen 3.003 N/A