Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ykp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH GLU 259.A OE2 no hydrogen 2.699 N/A THR 5.A OG1 THR 269.A O no hydrogen 2.776 N/A LEU 8.A N GLU 120.A OE2 no hydrogen 2.969 N/A ARG 9.A NH1 GLY 6.A O no hydrogen 2.884 N/A ARG 9.A NH1 LEU 8.A O no hydrogen 2.965 N/A HIS 11.A N ASP 128.A OD2 no hydrogen 2.873 N/A HIS 11.A ND1 ARG 9.A O no hydrogen 2.967 N/A MET 15.A N GLU 85.A OE1 no hydrogen 2.747 N/A ILE 24.A N PRO 21.A O no hydrogen 3.053 N/A ARG 26.A NE ASP 31.A OD1 no hydrogen 3.316 N/A ARG 26.A NE ASP 31.A OD2 no hydrogen 2.782 N/A ARG 26.A NH2 ASP 31.A OD1 no hydrogen 2.878 N/A TYR 29.A OH SER 103.A O no hydrogen 2.525 N/A ALA 30.A N PRO 27.A O no hydrogen 2.994 N/A HIS 32.A N TYR 29.A O no hydrogen 3.204 N/A LEU 34.A N HIS 32.A ND1 no hydrogen 2.958 N/A GLY 35.A N HIS 32.A O no hydrogen 2.936 N/A MET 36.A N HIS 32.A ND1 no hydrogen 3.266 N/A SER 37.A OG ASP 28.A OD1 no hydrogen 2.629 N/A SER 37.A OG ASP 28.A OD2 no hydrogen 3.160 N/A SER 39.A N ASP 28.A OD2 no hydrogen 2.881 N/A SER 39.A OG ASP 28.A OD2 no hydrogen 2.602 N/A SER 39.A OG SER 37.A OG no hydrogen 2.982 N/A GLU 40.A N SER 37.A OG no hydrogen 3.154 N/A GLN 41.A N SER 37.A O no hydrogen 2.888 N/A ALA 42.A N GLU 38.A O no hydrogen 2.921 N/A LEU 43.A N GLU 40.A O no hydrogen 3.114 N/A LYS 44.A N GLN 41.A O no hydrogen 3.151 N/A THR 46.A N LEU 43.A O no hydrogen 3.183 N/A GLN 48.A N THR 46.A OG1 no hydrogen 3.301 N/A LEU 52.A N GLY 242.A O no hydrogen 2.987 N/A SER 53.A N ASP 56.A OD2 no hydrogen 3.040 N/A ASP 56.A N SER 53.A OG no hydrogen 3.081 N/A ILE 57.A N SER 53.A O no hydrogen 2.904 N/A GLU 58.A N SER 54.A O no hydrogen 2.989 N/A GLY 59.A N GLU 55.A O no hydrogen 2.951 N/A MET 60.A N ASP 56.A O no hydrogen 2.834 N/A ARG 61.A N ILE 57.A O no hydrogen 2.820 N/A ARG 61.A NE GLU 290.A OE2 no hydrogen 2.629 N/A ARG 61.A NH1 GLU 58.A OE2 no hydrogen 2.790 N/A ARG 61.A NH2 GLU 290.A OE1 no hydrogen 2.750 N/A ARG 61.A NH2 GLU 290.A OE2 no hydrogen 3.323 N/A LEU 62.A N GLU 58.A O no hydrogen 3.109 N/A VAL 63.A N GLY 59.A O no hydrogen 3.109 N/A CYS 64.A N MET 60.A O no hydrogen 2.973 N/A ARG 65.A N ARG 61.A O no hydrogen 3.039 N/A LEU 66.A N LEU 62.A O no hydrogen 3.000 N/A ALA 67.A N VAL 63.A O no hydrogen 2.810 N/A ARG 68.A N CYS 64.A O no hydrogen 3.037 N/A ARG 68.A NE THR 293.A O no hydrogen 2.918 N/A ARG 68.A NH1 ASP 72.A OD1 no hydrogen 3.062 N/A ARG 68.A NH1 GLU 155.A OE2 no hydrogen 2.857 N/A ARG 68.A NH2 GLU 155.A OE2 no hydrogen 3.099 N/A ARG 68.A NH2 THR 293.A O no hydrogen 3.142 N/A GLU 69.A N ARG 65.A O no hydrogen 3.025 N/A VAL 70.A N LEU 66.A O no hydrogen 3.034 N/A LEU 71.A N ALA 67.A O no hydrogen 2.931 N/A ASP 72.A N ARG 68.A O no hydrogen 2.968 N/A VAL 73.A N GLU 69.A O no hydrogen 3.094 N/A ALA 74.A N VAL 70.A O no hydrogen 3.143 N/A ALA 75.A N LEU 71.A O no hydrogen 2.849 N/A GLY 76.A N ASP 72.A O no hydrogen 3.222 N/A MET 77.A N ALA 74.A O no hydrogen 2.979 N/A ILE 78.A N ALA 75.A O no hydrogen 3.298 N/A GLY 81.A N LEU 132.A O no hydrogen 2.920 N/A VAL 82.A N LYS 79.A O no hydrogen 3.324 N/A THR 83.A N GLU 86.A OE1 no hydrogen 2.886 N/A THR 84.A OG1 ASP 128.A O no hydrogen 3.289 N/A GLU 85.A N ASP 128.A O no hydrogen 2.915 N/A GLU 86.A N THR 83.A OG1 no hydrogen 3.082 N/A ILE 87.A N THR 83.A O no hydrogen 3.204 N/A ASP 88.A N THR 84.A O no hydrogen 2.924 N/A HIS 89.A N GLU 85.A O no hydrogen 2.923 N/A ALA 90.A N GLU 86.A O no hydrogen 3.109 N/A VAL 91.A N ILE 87.A O no hydrogen 2.871 N/A HIS 92.A N ASP 88.A O no hydrogen 2.783 N/A HIS 92.A ND1 SER 113.A OG no hydrogen 2.737 N/A HIS 92.A NE2 PRO 19.A O no hydrogen 2.871 N/A LEU 93.A N HIS 89.A O no hydrogen 3.115 N/A ALA 94.A N ALA 90.A O no hydrogen 2.974 N/A CYS 95.A N VAL 91.A O no hydrogen 2.878 N/A CYS 95.A SG.A CYS 100.A O no hydrogen 2.934 N/A CYS 95.A SG.B VAL 91.A O no hydrogen 3.409 N/A ILE 96.A N HIS 92.A O no hydrogen 3.054 N/A ALA 97.A N LEU 93.A O no hydrogen 2.865 N/A ARG 98.A N ALA 94.A O no hydrogen 3.266 N/A ARG 98.A N CYS 95.A O no hydrogen 3.042 N/A ARG 98.A NE GLU 69.A OE1 no hydrogen 2.840 N/A ARG 98.A NH1 ALA 94.A O no hydrogen 2.994 N/A ASN 99.A N ILE 96.A O no hydrogen 3.008 N/A CYS 100.A N CYS 95.A O no hydrogen 2.957 N/A CYS 100.A SG ARG 98.A O no hydrogen 3.438 N/A TYR 101.A N TYR 145.A O no hydrogen 2.967 N/A TYR 101.A OH LEU 105.A O no hydrogen 2.652 N/A SER 103.A N THR 143.A O no hydrogen 3.014 N/A SER 103.A OG HIS 150.A ND1 no hydrogen 2.769 N/A LEU 105.A N PRO 102.A O no hydrogen 2.909 N/A ASN 106.A N PHE 110.A O no hydrogen 2.831 N/A ASN 106.A ND2 TYR 29.A O no hydrogen 3.058 N/A ASN 106.A ND2 ALA 30.A O no hydrogen 3.272 N/A ASN 106.A ND2 HIS 32.A O no hydrogen 3.159 N/A TYR 107.A N PRO 104.A O no hydrogen 2.923 N/A TYR 107.A OH GLU 40.A OE1.B no hydrogen 2.940 N/A TYR 107.A OH GLU 40.A OE2.A no hydrogen 2.580 N/A TYR 107.A OH HIS 222.A NE2 no hydrogen 2.826 N/A TYR 108.A N GLY 35.A O no hydrogen 2.744 N/A ASN 109.A N ASN 106.A O no hydrogen 3.072 N/A ASN 109.A ND2 PRO 33.A O no hydrogen 3.064 N/A ASN 109.A ND2 ASN 106.A OD1 no hydrogen 2.854 N/A PHE 110.A N TYR 107.A O no hydrogen 2.849 N/A LYS 112.A NZ GLU 85.A OE1 no hydrogen 2.852 N/A SER 113.A N ASP 88.A OD1 no hydrogen 2.763 N/A SER 113.A OG HIS 92.A ND1 no hydrogen 2.737 N/A CYS 114.A SG ASP 88.A OD1 no hydrogen 3.471 N/A CYS 115.A N ASP 141.A O no hydrogen 3.178 N/A THR 116.A N GLY 125.A O no hydrogen 2.964 N/A SER 117.A N ASN 139.A O no hydrogen 2.862 N/A ASN 119.A N ILE 137.A O no hydrogen 2.978 N/A ASN 119.A ND2 ASP 136.A OD1 no hydrogen 2.974 N/A GLU 120.A N GLU 120.A OE1 no hydrogen 2.819 N/A VAL 121.A N VAL 118.A O no hydrogen 2.898 N/A ILE 122.A N ALA 267.A O no hydrogen 2.713 N/A GLY 125.A N SER 117.A OG no hydrogen 3.339 N/A ASP 128.A N THR 84.A OG1 no hydrogen 2.943 N/A ARG 129.A N HIS 11.A O no hydrogen 3.060 N/A ARG 130.A N ASP 128.A OD1 no hydrogen 3.108 N/A ARG 130.A NH1 ASP 136.A OD2 no hydrogen 2.850 N/A ARG 130.A NH2 ASP 136.A OD1 no hydrogen 3.342 N/A ARG 130.A NH2 ASP 136.A OD2 no hydrogen 3.143 N/A LEU 132.A N VAL 82.A O no hydrogen 2.821 N/A GLN 133.A N ASP 136.A OD2 no hydrogen 2.784 N/A GLY 135.A N VAL 159.A O no hydrogen 2.894 N/A ASP 136.A N GLN 133.A O no hydrogen 2.883 N/A ILE 137.A N ASN 119.A OD1 no hydrogen 3.030 N/A VAL 138.A N PHE 157.A O no hydrogen 2.988 N/A ASN 139.A N SER 117.A O no hydrogen 2.913 N/A ASN 139.A ND2 ASN 154.A OD1 no hydrogen 2.892 N/A ASN 139.A ND2 THR 156.A OG1 no hydrogen 3.171 N/A ASN 139.A ND2 GLN 277.A O no hydrogen 2.852 N/A VAL 140.A N GLU 155.A O no hydrogen 3.019 N/A ASP 141.A N CYS 115.A O no hydrogen 2.913 N/A ILE 142.A N LEU 153.A O no hydrogen 2.880 N/A THR 143.A OG1.B ASP 152.A OD1 no hydrogen 3.358 N/A LEU 144.A N GLY 151.A O no hydrogen 2.970 N/A TYR 145.A N TYR 101.A O no hydrogen 2.919 N/A ARG 146.A N TYR 149.A O no hydrogen 2.817 N/A TYR 149.A N ARG 146.A O no hydrogen 2.974 N/A TYR 149.A OH ASP 56.A OD1 no hydrogen 2.612 N/A HIS 150.A N HIS 218.A O no hydrogen 2.857 N/A HIS 150.A ND1 SER 103.A OG no hydrogen 2.769 N/A GLY 151.A N LEU 144.A O no hydrogen 2.879 N/A ASP 152.A N THR 281.A OG1 no hydrogen 3.310 N/A LEU 153.A N ILE 142.A O no hydrogen 2.999 N/A ASN 154.A N GLU 279.A O no hydrogen 3.168 N/A ASN 154.A ND2 ASP 141.A OD2 no hydrogen 2.932 N/A GLU 155.A N VAL 140.A O no hydrogen 3.243 N/A THR 156.A OG1 GLN 277.A O no hydrogen 2.516 N/A PHE 157.A N VAL 138.A O no hydrogen 2.759 N/A VAL 159.A N ASP 136.A O no hydrogen 2.949 N/A GLU 161.A N GLU 134.A OE2 no hydrogen 2.724 N/A ALA 166.A N ASP 163.A OD1 no hydrogen 2.848 N/A ARG 167.A N ASP 163.A O no hydrogen 3.079 N/A ARG 167.A NH2 VAL 162.A O no hydrogen 3.450 N/A LYS 168.A N ASP 164.A O no hydrogen 2.857 N/A LYS 168.A NZ ASN 204.A O no hydrogen 2.934 N/A LEU 169.A N GLY 165.A O no hydrogen 2.939 N/A VAL 170.A N ALA 166.A O no hydrogen 3.029 N/A GLN 171.A N ARG 167.A O no hydrogen 3.044 N/A GLN 171.A NE2 GLU 175.A OE2 no hydrogen 2.905 N/A THR 172.A N LYS 168.A O no hydrogen 2.921 N/A THR 172.A OG1 LYS 168.A O no hydrogen 2.715 N/A THR 173.A N LEU 169.A O no hydrogen 2.926 N/A THR 173.A OG1 LEU 169.A O no hydrogen 2.711 N/A TYR 174.A N VAL 170.A O no hydrogen 2.890 N/A GLU 175.A N GLN 171.A O no hydrogen 3.013 N/A CYS 176.A N THR 172.A O no hydrogen 2.776 N/A CYS 176.A SG THR 172.A O no hydrogen 3.290 N/A CYS 176.A SG ILE 197.A O no hydrogen 3.611 N/A LEU 177.A N THR 173.A O no hydrogen 3.038 N/A MET 178.A N TYR 174.A O no hydrogen 2.977 N/A GLN 179.A N GLU 175.A O no hydrogen 2.800 N/A ALA 180.A N CYS 176.A O no hydrogen 3.107 N/A ILE 181.A N LEU 177.A O no hydrogen 2.932 N/A ASP 182.A N MET 178.A O no hydrogen 2.937 N/A ALA 183.A N ALA 180.A O no hydrogen 3.145 N/A VAL 184.A N ILE 181.A O no hydrogen 2.993 N/A GLY 187.A N MET 239.A O no hydrogen 2.783 N/A VAL 188.A N LYS 185.A O no hydrogen 3.353 N/A TYR 190.A N GLY 237.A O no hydrogen 3.097 N/A TYR 190.A OH HIS 243.A ND1 no hydrogen 2.828 N/A GLU 192.A N ARG 189.A O no hydrogen 3.037 N/A LEU 193.A N TYR 190.A O no hydrogen 3.325 N/A ASN 195.A ND2 GLU 192.A OE1 no hydrogen 2.940 N/A ILE 196.A N GLU 192.A O no hydrogen 3.383 N/A ILE 197.A N LEU 193.A O no hydrogen 2.935 N/A GLN 198.A N GLY 194.A O no hydrogen 2.859 N/A GLN 198.A NE2 GLN 202.A OE1 no hydrogen 3.007 N/A LYS 199.A N ASN 195.A O no hydrogen 3.026 N/A HIS 200.A N ILE 196.A O no hydrogen 3.295 N/A HIS 200.A NE2 GLU 175.A OE1 no hydrogen 2.695 N/A ALA 201.A N ILE 197.A O no hydrogen 2.935 N/A GLN 202.A N GLN 198.A O no hydrogen 2.814 N/A ALA 203.A N LYS 199.A O no hydrogen 3.090 N/A ASN 204.A N ALA 201.A O no hydrogen 2.974 N/A ASN 204.A ND2 HIS 200.A O no hydrogen 2.925 N/A GLY 205.A N GLN 202.A O no hydrogen 2.884 N/A PHE 206.A N ALA 201.A O no hydrogen 3.004 N/A SER 207.A N CYS 252.A O no hydrogen 3.031 N/A SER 207.A OG GLY 254.A O no hydrogen 2.737 N/A VAL 209.A N MET 250.A O no hydrogen 3.014 N/A SER 211.A OG ASP 258.A OD1 no hydrogen 2.530 N/A SER 211.A OG ASP 258.A OD2 no hydrogen 3.515 N/A CYS 213.A SG.B GLY 214.A O no hydrogen 3.318 N/A CYS 213.A SG.B ASN 226.A OD1 no hydrogen 2.258 N/A GLY 214.A N VAL 227.A O no hydrogen 2.853 N/A HIS 215.A N THR 246.A OG1 no hydrogen 3.046 N/A HIS 215.A ND1 GLY 216.A O no hydrogen 2.936 N/A GLY 216.A N PRO 225.A O no hydrogen 2.833 N/A HIS 218.A N LEU 220.A O no hydrogen 3.114 N/A LYS 219.A N HIS 218.A ND1 no hydrogen 2.865 N/A LYS 219.A NZ ASP 56.A OD1 no hydrogen 3.088 N/A HIS 222.A N GLU 40.A OE1.A no hydrogen 3.342 N/A THR 223.A N GLY 216.A O no hydrogen 2.995 N/A ALA 224.A N THR 223.A OG1 no hydrogen 2.657 N/A VAL 227.A N GLY 214.A O no hydrogen 2.828 N/A ALA 231.A N GLN 198.A OE1 no hydrogen 2.853 N/A LYS 232.A N ASN 195.A OD1 no hydrogen 2.923 N/A ASN 233.A ND2 ARG 191.A O no hydrogen 3.198 N/A ASN 233.A ND2 TYR 230.A O no hydrogen 2.947 N/A LYS 234.A NZ LYS 232.A O no hydrogen 3.389 N/A ALA 235.A N ASN 233.A OD1 no hydrogen 2.916 N/A MET 239.A N VAL 188.A O no hydrogen 2.891 N/A LYS 240.A N HIS 243.A ND1 no hydrogen 3.221 N/A SER 241.A OG ASP 286.A OD1 no hydrogen 2.708 N/A GLY 242.A N VAL 284.A O no hydrogen 2.782 N/A HIS 243.A N LYS 240.A O no hydrogen 3.016 N/A PHE 245.A N LEU 282.A O no hydrogen 3.030 N/A THR 246.A N HIS 215.A O no hydrogen 2.814 N/A THR 246.A OG1 GLU 248.A OE1 no hydrogen 2.882 N/A THR 246.A OG1 GLU 279.A OE2 no hydrogen 3.460 N/A ILE 247.A N HIS 280.A O no hydrogen 3.261 N/A GLU 248.A N HIS 229.A NE2 no hydrogen 2.957 N/A ILE 251.A N ALA 276.A O no hydrogen 2.907 N/A CYS 252.A N SER 207.A O no hydrogen 2.834 N/A CYS 252.A SG SER 275.A OG no hydrogen 3.591 N/A GLU 253.A N ARG 274.A O no hydrogen 2.941 N/A GLY 255.A N ASP 271.A OD2 no hydrogen 2.837 N/A GLU 259.A N VAL 268.A O no hydrogen 2.871 N/A TRP 261.A N THR 266.A O no hydrogen 2.830 N/A GLY 264.A N TRP 261.A O no hydrogen 2.896 N/A TRP 265.A N ASP 263.A OD1 no hydrogen 2.774 N/A THR 266.A N ASP 263.A OD1 no hydrogen 2.861 N/A THR 266.A OG1 ASP 263.A OD1 no hydrogen 3.386 N/A THR 266.A OG1 ASP 263.A OD2 no hydrogen 2.590 N/A ALA 267.A N CYS 123.A O no hydrogen 3.191 N/A VAL 268.A N GLU 259.A O no hydrogen 2.842 N/A THR 269.A N GLU 120.A O no hydrogen 3.038 N/A THR 269.A OG1 ASP 271.A OD1 no hydrogen 3.546 N/A THR 269.A OG1 LYS 273.A O no hydrogen 2.750 N/A ARG 270.A N GLN 257.A O no hydrogen 2.948 N/A ARG 270.A NE GLU 259.A OE1 no hydrogen 2.989 N/A GLY 272.A N THR 269.A O no hydrogen 3.209 N/A LYS 273.A N ASP 271.A OD1 no hydrogen 3.107 N/A ARG 274.A N GLU 253.A OE1 no hydrogen 2.999 N/A ARG 274.A NE GLU 253.A OE1 no hydrogen 2.936 N/A ARG 274.A NE GLU 253.A OE2 no hydrogen 3.410 N/A ARG 274.A NH1 ASP 163.A OD1 no hydrogen 3.412 N/A ARG 274.A NH1 ASP 163.A OD2 no hydrogen 3.545 N/A ARG 274.A NH2 ASP 163.A OD1 no hydrogen 3.025 N/A ARG 274.A NH2 ASP 163.A OD2 no hydrogen 3.491 N/A ARG 274.A NH2 GLU 253.A OE2 no hydrogen 2.885 N/A SER 275.A N ASN 119.A O no hydrogen 3.057 N/A SER 275.A OG ILE 251.A O no hydrogen 2.978 N/A ALA 276.A N ILE 251.A O no hydrogen 2.996 N/A GLN 277.A N THR 156.A OG1 no hydrogen 3.118 N/A GLU 279.A N ASN 154.A O no hydrogen 2.994 N/A HIS 280.A N ILE 247.A O no hydrogen 3.284 N/A HIS 280.A ND1 THR 293.A OG1 no hydrogen 2.683 N/A THR 281.A N THR 293.A OG1 no hydrogen 3.016 N/A THR 281.A OG1 ASP 152.A O no hydrogen 2.715 N/A LEU 282.A N PHE 245.A O no hydrogen 2.765 N/A LEU 283.A N GLU 290.A O no hydrogen 2.922 N/A VAL 284.A N HIS 243.A O no hydrogen 2.732 N/A THR 285.A N GLY 288.A O no hydrogen 3.094 N/A GLY 288.A N THR 285.A OG1 no hydrogen 3.010 N/A CYS 289.A SG ILE 181.A O no hydrogen 4.020 N/A GLU 290.A N LEU 283.A O no hydrogen 2.745 N/A LEU 292.A N THR 281.A O no hydrogen 2.996 N/A THR 293.A OG1 HIS 280.A ND1 no hydrogen 2.683 N/A ARG 294.A N ILE 291.A O no hydrogen 3.229 N/A ARG 294.A NH1 ILE 291.A O no hydrogen 2.957 N/A ARG 295.A NH1 ARG 300.A O no hydrogen 2.842 N/A ARG 300.A N SER 298.A OG no hydrogen 3.217 N/A HIS 302.A N GLU 155.A OE1 no hydrogen 2.995 N/A HIS 302.A NE2 ASP 72.A OD1 no hydrogen 2.774 N/A MET 304.A N PRO 301.A O no hydrogen 3.274 N/A SER 305.A N HIS 302.A O no hydrogen 3.057 N/A SER 305.A OG HIS 302.A O no hydrogen 2.710 N/A