Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5aa9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N.A SER 11.A O no hydrogen 3.006 N/A TYR 4.A N.B SER 11.A O no hydrogen 3.014 N/A CYS 5.A N.A TYR 178.A OH no hydrogen 3.280 N/A CYS 5.A N.B TYR 178.A OH no hydrogen 3.318 N/A CYS 5.A SG.A THR 10.A OG1 no hydrogen 3.439 N/A CYS 5.A SG.B ALA 7.A O no hydrogen 4.016 N/A CYS 5.A SG.B LYS 9.A O no hydrogen 3.317 N/A CYS 5.A SG.B THR 10.A OG1 no hydrogen 3.772 N/A PHE 6.A N LYS 9.A O no hydrogen 3.146 N/A LYS 9.A N PHE 6.A O no hydrogen 3.210 N/A LYS 9.A NZ THR 10.A O no hydrogen 3.475 N/A SER 11.A N TYR 4.A O.A no hydrogen 2.775 N/A SER 11.A N TYR 4.A O.B no hydrogen 2.821 N/A SER 11.A OG TYR 4.A O.A no hydrogen 3.360 N/A SER 11.A OG TYR 4.A O.B no hydrogen 3.169 N/A SER 12.A N ASP 15.A OD2 no hydrogen 2.650 N/A ASP 15.A N SER 12.A O no hydrogen 2.707 N/A LEU 16.A N ILE 13.A O no hydrogen 3.048 N/A VAL 19.A N VAL 85.A O no hydrogen 2.715 N/A ARG 21.A NE SER 86.A OG no hydrogen 3.032 N/A ARG 21.A NH1 PRO 91.A O no hydrogen 3.204 N/A ARG 21.A NH2 SER 86.A O no hydrogen 3.234 N/A ARG 21.A NH2 SER 86.A OG no hydrogen 3.037 N/A ARG 21.A NH2 PRO 91.A O no hydrogen 2.753 N/A ASN 23.A N PRO 20.A O no hydrogen 2.963 N/A ILE 24.A N ARG 21.A O no hydrogen 3.000 N/A THR 25.A N GLN 42.A O no hydrogen 2.860 N/A ILE 27.A N GLU 40.A O no hydrogen 2.754 N/A ARG 28.A NH1 GLU 40.A OE1 no hydrogen 2.629 N/A LEU 30.A N VAL 38.A O no hydrogen 2.769 N/A GLU 37.A N THR 51.A OG1 no hydrogen 2.994 N/A TYR 39.A N VAL 49.A O no hydrogen 2.916 N/A TYR 39.A OH GLU 37.A OE1 no hydrogen 2.407 N/A GLU 40.A N ARG 28.A O no hydrogen 2.849 N/A GLY 41.A N VAL 47.A O no hydrogen 2.756 N/A GLN 42.A N THR 25.A O no hydrogen 2.843 N/A VAL 43.A N LEU 45.A O no hydrogen 2.901 N/A LEU 45.A N VAL 43.A O no hydrogen 3.241 N/A GLN 46.A NE2 GLU 40.A OE2 no hydrogen 2.892 N/A VAL 47.A N GLY 41.A O no hydrogen 3.084 N/A ALA 48.A N LEU 96.A O no hydrogen 2.873 N/A VAL 49.A N TYR 39.A O no hydrogen 2.767 N/A LYS 50.A N ILE 94.A O no hydrogen 2.848 N/A THR 51.A N GLU 37.A O no hydrogen 3.021 N/A THR 51.A OG1 GLU 37.A O no hydrogen 3.128 N/A LEU 52.A N ARG 92.A O no hydrogen 3.007 N/A CYS 56.A SG PRO 53.A O no hydrogen 3.136 N/A CYS 56.A SG SER 57.A O no hydrogen 3.830 N/A SER 57.A N ASP 60.A OD2 no hydrogen 2.813 N/A ASP 60.A N SER 57.A OG no hydrogen 3.169 N/A GLU 61.A N SER 57.A O no hydrogen 3.232 N/A LEU 62.A N GLU 58.A O no hydrogen 3.295 N/A ASP 63.A N GLN 59.A O no hydrogen 2.890 N/A PHE 64.A N ASP 60.A O no hydrogen 3.015 N/A LEU 65.A N GLU 61.A O no hydrogen 2.940 N/A MET 66.A N LEU 62.A O no hydrogen 2.874 N/A GLU 67.A N ASP 63.A O no hydrogen 3.056 N/A ALA 68.A N PHE 64.A O no hydrogen 3.304 N/A LEU 69.A N LEU 65.A O no hydrogen 3.131 N/A ILE 70.A N MET 66.A O no hydrogen 2.851 N/A ILE 71.A N GLU 67.A O no hydrogen 3.010 N/A SER 72.A N ALA 68.A O no hydrogen 2.927 N/A SER 72.A OG ALA 68.A O no hydrogen 2.964 N/A LYS 73.A N LEU 69.A O no hydrogen 3.262 N/A LYS 73.A N ILE 70.A O no hydrogen 3.291 N/A PHE 74.A N ILE 71.A O no hydrogen 3.349 N/A ASN 75.A N TYR 139.A OH no hydrogen 2.915 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.984 N/A ASN 78.A ND2 ALA 166.A O no hydrogen 3.102 N/A ILE 79.A N HIS 76.A O no hydrogen 3.181 N/A VAL 80.A N ILE 168.A O no hydrogen 3.159 N/A ARG 81.A N GLU 97.A OE1 no hydrogen 2.977 N/A ARG 81.A NH1 ASN 75.A OD1 no hydrogen 2.941 N/A CYS 82.A SG SER 72.A OG no hydrogen 3.285 N/A CYS 82.A SG GLY 84.A O no hydrogen 3.388 N/A CYS 82.A SG LEU 95.A O no hydrogen 3.634 N/A ILE 83.A N LEU 95.A O no hydrogen 2.728 N/A GLY 84.A N LEU 95.A O no hydrogen 3.491 N/A VAL 85.A N LYS 17.A O no hydrogen 2.837 N/A SER 86.A N PHE 93.A O no hydrogen 2.956 N/A LEU 87.A N GLU 18.A OE1 no hydrogen 3.099 N/A LEU 87.A N GLU 18.A OE2 no hydrogen 3.260 N/A GLN 88.A N GLU 18.A OE2 no hydrogen 3.240 N/A ARG 92.A NE GLU 61.A OE1 no hydrogen 2.716 N/A ARG 92.A NE GLU 61.A OE2 no hydrogen 3.348 N/A ARG 92.A NH1 LEU 87.A O no hydrogen 2.662 N/A ARG 92.A NH2 GLU 61.A OE2 no hydrogen 3.262 N/A PHE 93.A N SER 86.A O no hydrogen 2.904 N/A ILE 94.A N LYS 50.A O no hydrogen 2.817 N/A LEU 95.A N GLY 84.A O no hydrogen 2.944 N/A LEU 96.A N ALA 48.A O no hydrogen 2.783 N/A GLU 97.A N ARG 81.A O no hydrogen 2.825 N/A ALA 100.A N THR 158.A O no hydrogen 3.255 N/A GLY 101.A N LEU 157.A O no hydrogen 2.823 N/A GLY 102.A N MET 99.A O no hydrogen 2.923 N/A LEU 104.A N CYS 155.A O no hydrogen 2.819 N/A LYS 105.A NZ GLY 220.A O no hydrogen 3.027 N/A SER 106.A N ASP 103.A OD1 no hydrogen 2.979 N/A SER 106.A OG ASP 103.A OD1 no hydrogen 3.423 N/A SER 106.A OG ASP 103.A OD2 no hydrogen 2.782 N/A PHE 107.A N ASP 103.A O no hydrogen 3.087 N/A LEU 108.A N LEU 104.A O no hydrogen 2.894 N/A ARG 109.A N LYS 105.A O no hydrogen 3.091 N/A ARG 109.A NH1 GLY 220.A O no hydrogen 2.894 N/A GLU 110.A N SER 106.A O no hydrogen 2.725 N/A ARG 112.A NE LEU 219.A O no hydrogen 2.715 N/A ARG 112.A NH2 LEU 219.A O no hydrogen 3.053 N/A ARG 114.A N GLN 117.A O no hydrogen 3.226 N/A SER 116.A OG GLN 117.A OE1 no hydrogen 2.773 N/A GLN 117.A NE2 GLN 117.A O no hydrogen 3.263 N/A SER 119.A OG SER 119.A O no hydrogen 2.553 N/A SER 120.A N GLN 117.A O no hydrogen 3.173 N/A SER 120.A OG THR 111.A O no hydrogen 2.705 N/A SER 120.A OG GLN 117.A O no hydrogen 3.439 N/A ALA 122.A N ASP 125.A OD2 no hydrogen 2.833 N/A LEU 126.A N ALA 122.A O no hydrogen 3.421 N/A LEU 127.A N MET 123.A O no hydrogen 3.018 N/A HIS 128.A N LEU 124.A O no hydrogen 2.945 N/A VAL 129.A N ASP 125.A O no hydrogen 3.138 N/A ALA 130.A N LEU 126.A O no hydrogen 3.033 N/A ARG 131.A N LEU 127.A O no hydrogen 2.895 N/A ASP 132.A N HIS 128.A O no hydrogen 2.902 N/A ILE 133.A N VAL 129.A O no hydrogen 3.125 N/A ALA 134.A N ALA 130.A O no hydrogen 2.930 N/A CYS 135.A N.A ARG 131.A O no hydrogen 2.929 N/A CYS 135.A N.A ASP 132.A O no hydrogen 3.164 N/A CYS 135.A N.B ARG 131.A O no hydrogen 2.917 N/A CYS 135.A SG.A HIS 76.A NE2 no hydrogen 3.761 N/A CYS 135.A SG.B ARG 131.A O no hydrogen 3.339 N/A GLY 136.A N ASP 132.A O no hydrogen 3.119 N/A CYS 137.A N ILE 133.A O no hydrogen 2.839 N/A CYS 137.A SG ILE 133.A O no hydrogen 3.425 N/A GLN 138.A N ALA 134.A O no hydrogen 2.921 N/A TYR 139.A N CYS 135.A O.A no hydrogen 3.239 N/A TYR 139.A N CYS 135.A O.B no hydrogen 3.104 N/A LEU 140.A N GLY 136.A O no hydrogen 3.078 N/A GLU 141.A N CYS 137.A O no hydrogen 2.885 N/A GLU 142.A N GLN 138.A O no hydrogen 2.914 N/A ASN 143.A N TYR 139.A O no hydrogen 3.175 N/A ASN 143.A N LEU 140.A O no hydrogen 3.151 N/A HIS 144.A N GLU 141.A O no hydrogen 2.940 N/A PHE 145.A N LEU 140.A O no hydrogen 2.782 N/A HIS 147.A N ASP 205.A OD2 no hydrogen 2.893 N/A HIS 147.A NE2 ASP 170.A O no hydrogen 2.791 N/A ARG 148.A N ASP 205.A OD1 no hydrogen 3.007 N/A ASP 149.A N HIS 147.A ND1 no hydrogen 3.061 N/A ALA 152.A N GLU 215.A OE1 no hydrogen 3.010 N/A ARG 153.A NH2 ASP 149.A OD1 no hydrogen 2.871 N/A ASN 154.A N ALA 151.A O no hydrogen 2.872 N/A ASN 154.A ND2 ASP 149.A O no hydrogen 2.837 N/A CYS 155.A N ALA 152.A O no hydrogen 3.173 N/A CYS 155.A SG ALA 151.A O no hydrogen 3.585 N/A LEU 156.A N LYS 167.A O no hydrogen 2.798 N/A LEU 157.A N GLY 102.A O no hydrogen 2.932 N/A THR 158.A N VAL 165.A O no hydrogen 3.029 N/A CYS 159.A SG GLY 161.A O no hydrogen 3.780 N/A ARG 164.A N GLY 161.A O no hydrogen 3.088 N/A ARG 164.A NE PRO 160.A O no hydrogen 3.111 N/A ARG 164.A NH1 ASP 125.A OD1 no hydrogen 2.952 N/A ARG 164.A NH2 PRO 160.A O no hydrogen 2.954 N/A VAL 165.A N THR 158.A OG1 no hydrogen 2.853 N/A ALA 166.A N ASP 132.A OD2 no hydrogen 2.858 N/A LYS 167.A N LEU 156.A O no hydrogen 2.922 N/A LYS 167.A NZ GLN 77.A OE1 no hydrogen 3.260 N/A LYS 167.A NZ GLU 97.A OE1 no hydrogen 3.432 N/A LYS 167.A NZ GLU 97.A OE2 no hydrogen 2.673 N/A ILE 168.A N ASN 78.A O no hydrogen 2.948 N/A GLY 169.A N ASN 154.A O no hydrogen 2.882 N/A GLY 172.A N ASP 170.A OD1 no hydrogen 2.925 N/A ARG 175.A N PHE 171.A O no hydrogen 3.120 N/A ARG 175.A NE GLY 172.A O no hydrogen 3.197 N/A ARG 175.A NE ASP 176.A OD1 no hydrogen 2.658 N/A ARG 175.A NH1 ASP 63.A O no hydrogen 2.659 N/A ASP 176.A N GLY 172.A O no hydrogen 2.933 N/A ILE 177.A N MET 173.A O no hydrogen 3.058 N/A TYR 178.A N ALA 174.A O no hydrogen 3.141 N/A ARG 179.A N ARG 175.A O no hydrogen 3.346 N/A ARG 179.A NE ASP 176.A O no hydrogen 3.133 N/A MET 184.A N GLY 181.A O no hydrogen 3.190 N/A LEU 185.A N CYS 182.A O no hydrogen 3.256 N/A VAL 187.A N LEU 185.A O no hydrogen 2.835 N/A LYS 188.A NZ LYS 227.A O no hydrogen 3.430 N/A TRP 189.A N PRO 186.A O no hydrogen 2.923 N/A TRP 189.A NE1 GLU 215.A OE1 no hydrogen 2.951 N/A MET 190.A N VAL 187.A O no hydrogen 3.128 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.800 N/A ALA 194.A N PRO 191.A O no hydrogen 2.991 N/A PHE 195.A N PRO 191.A O no hydrogen 3.249 N/A MET 196.A N PRO 192.A O no hydrogen 2.842 N/A GLU 197.A N GLU 193.A O no hydrogen 3.064 N/A GLY 198.A N ALA 194.A O no hydrogen 2.919 N/A ILE 199.A N GLU 193.A O no hydrogen 3.163 N/A THR 201.A N THR 204.A OG1 no hydrogen 2.822 N/A LYS 203.A N THR 201.A OG1 no hydrogen 3.016 N/A LYS 203.A NZ PRO 264.A O no hydrogen 3.074 N/A LYS 203.A NZ ARG 267.A O no hydrogen 2.695 N/A THR 204.A N THR 201.A O no hydrogen 2.993 N/A THR 204.A OG1 THR 201.A O no hydrogen 3.137 N/A THR 206.A N SER 202.A O no hydrogen 3.249 N/A THR 206.A OG1 SER 202.A O no hydrogen 3.507 N/A THR 206.A OG1 PRO 268.A O no hydrogen 3.032 N/A TRP 207.A N LYS 203.A O no hydrogen 3.253 N/A SER 208.A N THR 204.A O no hydrogen 3.168 N/A SER 208.A OG TRP 189.A O no hydrogen 2.646 N/A SER 208.A OG THR 204.A O no hydrogen 3.243 N/A PHE 209.A N ASP 205.A O no hydrogen 2.813 N/A GLY 210.A N THR 206.A O no hydrogen 3.134 N/A VAL 211.A N TRP 207.A O no hydrogen 3.267 N/A LEU 212.A N SER 208.A O no hydrogen 2.875 N/A LEU 213.A N PHE 209.A O no hydrogen 2.779 N/A TRP 214.A N GLY 210.A O no hydrogen 3.201 N/A TRP 214.A NE1 ASP 243.A O no hydrogen 2.908 N/A GLU 215.A N VAL 211.A O no hydrogen 2.968 N/A ILE 216.A N LEU 212.A O no hydrogen 2.834 N/A PHE 217.A N LEU 213.A O no hydrogen 2.957 N/A SER 218.A N TRP 214.A O no hydrogen 2.873 N/A SER 218.A OG TRP 214.A O no hydrogen 2.863 N/A SER 218.A OG GLU 215.A O no hydrogen 2.994 N/A LEU 219.A N ILE 216.A O no hydrogen 3.015 N/A GLY 220.A N GLU 215.A O no hydrogen 2.841 N/A TYR 221.A N SER 218.A OG no hydrogen 3.261 N/A SER 226.A OG PRO 225.A O no hydrogen 2.373 N/A LYS 227.A N TYR 224.A O no hydrogen 2.991 N/A SER 228.A N GLU 231.A OE1 no hydrogen 2.915 N/A GLN 230.A NE2 GLU 234.A OE2 no hydrogen 2.773 N/A GLU 231.A N SER 228.A OG no hydrogen 3.422 N/A VAL 232.A N SER 228.A O no hydrogen 2.952 N/A LEU 233.A N ASN 229.A O no hydrogen 2.960 N/A GLU 234.A N GLN 230.A O no hydrogen 3.044 N/A PHE 235.A N GLU 231.A O no hydrogen 2.784 N/A VAL 236.A N VAL 232.A O no hydrogen 2.745 N/A THR 237.A N LEU 233.A O no hydrogen 3.119 N/A THR 237.A OG1 LEU 233.A O no hydrogen 2.785 N/A SER 238.A N GLU 234.A O no hydrogen 3.173 N/A SER 238.A N PHE 235.A O no hydrogen 3.257 N/A SER 238.A OG GLU 234.A O no hydrogen 3.026 N/A GLY 239.A N VAL 236.A O no hydrogen 3.129 N/A GLY 240.A N PHE 235.A O no hydrogen 2.870 N/A ARG 241.A NE TRP 260.A O no hydrogen 2.882 N/A ARG 241.A NH1 VAL 236.A O no hydrogen 3.012 N/A ARG 241.A NH1 GLY 240.A O no hydrogen 3.002 N/A ARG 241.A NH2 TRP 260.A O no hydrogen 3.047 N/A ASN 247.A ND2 ALA 290.A O no hydrogen 2.791 N/A CYS 248.A N PRO 245.A O no hydrogen 3.063 N/A CYS 248.A SG PRO 249.A O no hydrogen 3.660 N/A VAL 252.A N PRO 249.A O no hydrogen 3.087 N/A TYR 253.A N PRO 249.A O no hydrogen 3.110 N/A TYR 253.A OH MET 242.A O no hydrogen 2.592 N/A ARG 254.A N GLY 250.A O no hydrogen 2.940 N/A ILE 255.A N VAL 252.A O no hydrogen 3.101 N/A MET 256.A N VAL 252.A O no hydrogen 3.331 N/A THR 257.A N TYR 253.A O no hydrogen 3.008 N/A THR 257.A OG1 ARG 254.A O no hydrogen 3.050 N/A GLN 258.A N ARG 254.A O no hydrogen 3.127 N/A CYS 259.A N ILE 255.A O no hydrogen 2.956 N/A CYS 259.A SG ILE 255.A O no hydrogen 3.370 N/A TRP 260.A N MET 256.A O no hydrogen 3.097 N/A TRP 260.A N THR 257.A O no hydrogen 3.302 N/A GLN 261.A N GLN 258.A O no hydrogen 3.323 N/A GLN 261.A NE2 THR 257.A O no hydrogen 3.391 N/A GLU 265.A N GLU 265.A OE1 no hydrogen 2.823 N/A ASP 266.A N GLN 263.A O no hydrogen 2.877 N/A ARG 267.A N PRO 264.A O no hydrogen 3.136 N/A ARG 267.A NE LYS 203.A O no hydrogen 3.405 N/A ARG 267.A NH1 GLN 261.A O no hydrogen 2.773 N/A ARG 267.A NH2 GLU 193.A OE2 no hydrogen 2.703 N/A ARG 267.A NH2 LYS 203.A O no hydrogen 2.984 N/A PHE 270.A N GLU 141.A OE1 no hydrogen 3.003 N/A ILE 272.A N ASN 269.A OD1 no hydrogen 2.905 N/A ILE 273.A N ASN 269.A O no hydrogen 3.062 N/A LEU 274.A N PHE 270.A O no hydrogen 2.916 N/A GLU 275.A N ALA 271.A O no hydrogen 3.161 N/A ARG 276.A N ILE 272.A O no hydrogen 3.066 N/A ILE 277.A N ILE 273.A O no hydrogen 2.909 N/A GLU 278.A N LEU 274.A O no hydrogen 2.974 N/A TYR 279.A N GLU 275.A O no hydrogen 3.081 N/A CYS 280.A N ARG 276.A O no hydrogen 3.131 N/A CYS 280.A SG ARG 276.A O no hydrogen 3.438 N/A THR 281.A N ILE 277.A O no hydrogen 3.161 N/A THR 281.A OG1 GLU 278.A O no hydrogen 2.659 N/A GLN 282.A N GLU 278.A O no hydrogen 3.274 N/A GLN 282.A N TYR 279.A O no hydrogen 3.226 N/A ASP 283.A N CYS 280.A O no hydrogen 3.174 N/A ASP 285.A N ASP 283.A OD1 no hydrogen 2.983 N/A VAL 286.A N ASP 283.A O no hydrogen 2.924 N/A ILE 287.A N ASP 283.A O no hydrogen 3.137 N/A ASN 288.A N PRO 284.A O no hydrogen 2.795 N/A THR 289.A N VAL 286.A O no hydrogen 3.093 N/A THR 289.A OG1 ASP 285.A O no hydrogen 2.703 N/A THR 289.A OG1 VAL 286.A O no hydrogen 3.092 N/A