Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2iao_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ARG 260.A O no hydrogen 3.003 N/A THR 9.A N LYS 292.A O no hydrogen 2.770 N/A LYS 10.A NZ GLU 13.A OE1 no hydrogen 3.131 N/A VAL 11.A N VAL 290.A O no hydrogen 2.780 N/A THR 12.A N VAL 290.A O no hydrogen 3.405 N/A THR 12.A OG1 GLY 54.A O no hydrogen 3.069 N/A ILE 15.A N ASN 288.A O no hydrogen 3.009 N/A GLY 17.A N ASN 288.A OD1 no hydrogen 2.844 N/A ALA 18.A N ILE 15.A O no hydrogen 3.013 N/A GLU 19.A N VAL 32.A O no hydrogen 3.048 N/A GLY 20.A N GLU 19.A OE1 no hydrogen 2.956 N/A VAL 22.A N TYR 30.A O no hydrogen 3.036 N/A ASP 24.A N ASP 28.A O no hydrogen 3.014 N/A LYS 25.A NZ ARG 78.A O no hydrogen 3.322 N/A LYS 25.A NZ CYS 304.A O no hydrogen 3.051 N/A ASN 26.A N ASP 24.A OD1 no hydrogen 2.884 N/A GLY 27.A N ASP 24.A O no hydrogen 3.218 N/A ASP 28.A N ASP 24.A OD1 no hydrogen 2.932 N/A TYR 30.A N VAL 22.A O no hydrogen 2.865 N/A TYR 30.A OH ASP 24.A OD2 no hydrogen 2.813 N/A ILE 31.A N LEU 47.A O no hydrogen 2.853 N/A VAL 32.A N GLU 19.A O no hydrogen 2.950 N/A ALA 33.A N GLU 45.A O no hydrogen 2.707 N/A GLN 35.A N PRO 16.A O no hydrogen 3.303 N/A VAL 38.A N LYS 41.A O no hydrogen 3.021 N/A LYS 41.A N VAL 38.A O no hydrogen 3.365 N/A ALA 43.A N VAL 36.A O no hydrogen 3.007 N/A GLY 44.A N GLY 69.A O no hydrogen 2.819 N/A GLU 45.A N ALA 33.A O no hydrogen 3.069 N/A ILE 46.A N CYS 60.A O no hydrogen 2.840 N/A LEU 47.A N ILE 31.A O no hydrogen 2.712 N/A ARG 48.A N THR 57.A O no hydrogen 2.763 N/A ARG 48.A NE TYR 30.A OH no hydrogen 3.419 N/A ARG 48.A NH2 TYR 30.A OH no hydrogen 3.470 N/A ARG 48.A NH2 THR 97.A O no hydrogen 2.730 N/A ILE 49.A N PHE 29.A O no hydrogen 2.856 N/A ASP 50.A N LYS 55.A O no hydrogen 3.029 N/A LYS 52.A N ASP 50.A OD1 no hydrogen 3.174 N/A THR 53.A N ASP 50.A OD1 no hydrogen 3.156 N/A GLY 54.A N ASP 50.A O no hydrogen 2.591 N/A LYS 55.A N THR 53.A OG1 no hydrogen 3.105 N/A LYS 56.A NZ GLU 13.A O no hydrogen 2.910 N/A LYS 56.A NZ ASP 14.A O no hydrogen 3.113 N/A THR 57.A N ARG 48.A O no hydrogen 3.043 N/A ILE 59.A N ILE 46.A O no hydrogen 2.982 N/A CYS 60.A N ILE 46.A O no hydrogen 3.342 N/A CYS 60.A SG GLY 99.A O no hydrogen 3.379 N/A LYS 61.A NZ ALA 43.A O no hydrogen 2.969 N/A LYS 61.A NZ GLU 45.A OE1 no hydrogen 2.731 N/A VAL 64.A N TYR 67.A O no hydrogen 2.981 N/A GLY 66.A N GLU 63.A OE1 no hydrogen 2.851 N/A TYR 67.A N VAL 64.A O no hydrogen 3.142 N/A GLY 69.A N PRO 62.A O no hydrogen 2.881 N/A ILE 70.A N ASP 87.A OD2 no hydrogen 2.739 N/A ALA 72.A N ALA 86.A O no hydrogen 2.741 N/A GLY 73.A N ALA 86.A O no hydrogen 3.464 N/A CYS 74.A SG GLY 20.A O no hydrogen 3.388 N/A GLN 75.A N PHE 84.A O no hydrogen 3.139 N/A CYS 76.A SG ASP 77.A O no hydrogen 3.381 N/A CYS 76.A SG GLN 82.A O no hydrogen 3.924 N/A ASP 77.A N GLN 82.A O no hydrogen 2.909 N/A ARG 78.A NE ASP 79.A OD1 no hydrogen 2.988 N/A ARG 78.A NH2 ASP 79.A OD1 no hydrogen 3.358 N/A GLN 82.A N ALA 80.A O no hydrogen 2.878 N/A GLN 82.A NE2 ASP 77.A OD1 no hydrogen 2.745 N/A LEU 83.A N VAL 95.A O no hydrogen 2.810 N/A PHE 84.A N GLN 75.A O no hydrogen 2.874 N/A VAL 85.A N LEU 93.A O no hydrogen 2.745 N/A ALA 86.A N GLY 73.A O no hydrogen 2.814 N/A ASP 87.A N GLY 91.A O no hydrogen 2.740 N/A MET 88.A N ILE 70.A O no hydrogen 2.883 N/A ARG 89.A N ASP 87.A OD2 no hydrogen 2.919 N/A ARG 89.A NH1 ALA 140.A O no hydrogen 2.766 N/A ARG 89.A NH2 ALA 140.A O no hydrogen 2.990 N/A LEU 90.A N ASP 87.A OD2 no hydrogen 2.884 N/A GLY 91.A N ASP 87.A O no hydrogen 2.944 N/A LEU 93.A N VAL 85.A O no hydrogen 2.804 N/A VAL 94.A N GLU 102.A O no hydrogen 3.049 N/A VAL 95.A N LEU 83.A O no hydrogen 2.703 N/A GLN 96.A N THR 100.A O no hydrogen 2.856 N/A GLY 99.A N GLN 96.A O no hydrogen 2.961 N/A THR 100.A N ASP 98.A OD1 no hydrogen 2.988 N/A THR 100.A OG1 ASP 98.A OD1 no hydrogen 2.810 N/A GLU 102.A N VAL 94.A O no hydrogen 2.978 N/A ILE 104.A N LEU 92.A O no hydrogen 2.890 N/A LYS 106.A NZ GLU 103.A OE2 no hydrogen 2.829 N/A ASP 108.A N ARG 112.A O no hydrogen 2.809 N/A SER 109.A N MET 162.A O no hydrogen 2.690 N/A SER 109.A OG MET 162.A O no hydrogen 3.544 N/A GLU 110.A N ASP 108.A OD1 no hydrogen 2.906 N/A GLY 111.A N ASP 108.A O no hydrogen 3.008 N/A ARG 112.A N ASP 108.A OD1 no hydrogen 2.966 N/A ARG 112.A NH1 GLN 115.A OE1 no hydrogen 3.523 N/A ARG 112.A NH2 GLN 115.A OE1 no hydrogen 3.127 N/A ARG 113.A NE GLU 136.A OE2 no hydrogen 2.980 N/A ARG 113.A NH1 GLU 136.A OE1 no hydrogen 2.925 N/A ARG 113.A NH1 GLU 136.A OE2 no hydrogen 3.433 N/A MET 114.A N LYS 106.A O no hydrogen 2.861 N/A GLN 115.A NE2 ALA 134.A O no hydrogen 2.931 N/A GLN 115.A NE2 PHE 150.A O no hydrogen 2.920 N/A GLY 116.A N GLY 135.A O no hydrogen 2.750 N/A CYS 117.A N ASP 87.A O no hydrogen 2.879 N/A CYS 117.A SG GLN 115.A O no hydrogen 3.484 N/A ASN 118.A N THR 131.A O no hydrogen 2.875 N/A ASP 119.A N THR 131.A OG1 no hydrogen 3.158 N/A CYS 120.A N ASP 119.A OD1 no hydrogen 2.790 N/A CYS 120.A SG PHE 84.A O no hydrogen 3.819 N/A ALA 121.A N TRP 129.A O no hydrogen 2.745 N/A ASP 123.A N ASN 127.A O no hydrogen 2.897 N/A TYR 124.A OH LYS 301.A O no hydrogen 2.579 N/A GLU 125.A N.A ASP 123.A OD2 no hydrogen 3.014 N/A GLU 125.A N.B ASP 123.A OD2 no hydrogen 3.016 N/A GLY 126.A N ASP 123.A O no hydrogen 2.948 N/A ASN 127.A N ASP 123.A OD2 no hydrogen 2.859 N/A LEU 128.A N PHE 156.A O no hydrogen 2.907 N/A TRP 129.A N ALA 121.A O no hydrogen 2.860 N/A TRP 129.A NE1 ASP 123.A OD1 no hydrogen 2.837 N/A ILE 130.A N TYR 154.A O no hydrogen 2.873 N/A THR 131.A N ASP 119.A O no hydrogen 2.898 N/A THR 131.A OG1 ASP 119.A O no hydrogen 3.269 N/A THR 131.A OG1 ASN 173.A O no hydrogen 2.591 N/A ALA 132.A N SER 152.A O no hydrogen 2.711 N/A ALA 134.A N GLY 116.A O no hydrogen 3.294 N/A GLY 135.A N THR 143.A O no hydrogen 2.844 N/A VAL 137.A N MET 114.A O no hydrogen 2.923 N/A ALA 138.A N ARG 89.A O no hydrogen 2.692 N/A ALA 140.A N VAL 137.A O no hydrogen 3.187 N/A SER 145.A N PRO 133.A O no hydrogen 2.714 N/A SER 145.A OG PRO 133.A O no hydrogen 2.642 N/A PHE 150.A N GLU 148.A O no hydrogen 3.091 N/A GLY 151.A N PHE 169.A O no hydrogen 2.837 N/A SER 152.A N ALA 132.A O no hydrogen 2.776 N/A SER 152.A OG GLN 115.A OE1 no hydrogen 2.584 N/A ILE 153.A N ASP 166.A O no hydrogen 2.842 N/A TYR 154.A N ILE 130.A O no hydrogen 2.831 N/A CYS 155.A N ILE 163.A O no hydrogen 2.725 N/A PHE 156.A N LEU 128.A O no hydrogen 2.789 N/A THR 157.A N GLN 161.A O.A no hydrogen 3.038 N/A THR 157.A N GLN 161.A O.B no hydrogen 3.050 N/A THR 157.A OG1 ASP 159.A OD2 no hydrogen 2.744 N/A THR 157.A OG1 GLN 161.A O.A no hydrogen 3.403 N/A THR 157.A OG1 GLN 161.A O.B no hydrogen 3.407 N/A THR 158.A N ASN 127.A OD1 no hydrogen 3.074 N/A ASP 159.A N ASP 159.A OD2 no hydrogen 2.643 N/A GLY 160.A N THR 157.A O no hydrogen 2.935 N/A GLN 161.A N.A THR 157.A OG1 no hydrogen 3.116 N/A GLN 161.A N.B THR 157.A OG1 no hydrogen 3.107 N/A GLN 161.A NE2.B ASP 159.A O no hydrogen 2.654 N/A ILE 163.A N CYS 155.A O no hydrogen 3.036 N/A GLN 164.A NE2 TYR 154.A OH no hydrogen 3.211 N/A VAL 165.A N ILE 153.A O no hydrogen 2.862 N/A ASP 166.A N ILE 153.A O no hydrogen 3.477 N/A THR 167.A N ASP 166.A OD1 no hydrogen 2.758 N/A PHE 169.A N GLY 151.A O no hydrogen 2.948 N/A GLN 170.A N GLU 192.A OE1 no hydrogen 2.821 N/A GLN 170.A NE2 MET 146.A O no hydrogen 2.791 N/A PHE 171.A N SER 145.A OG no hydrogen 3.026 N/A ASN 173.A N ALA 191.A O no hydrogen 2.714 N/A ASN 173.A ND2 THR 193.A OG1 no hydrogen 2.912 N/A ALA 176.A N ILE 189.A O no hydrogen 2.983 N/A ARG 178.A N.A GLN 187.A O no hydrogen 2.722 N/A ARG 178.A N.B GLN 187.A O no hydrogen 2.726 N/A ARG 178.A NE.A GLN 187.A OE1 no hydrogen 2.587 N/A ARG 178.A NH1.A ASN 235.A O no hydrogen 3.134 N/A ARG 178.A NH2.A GLN 187.A OE1 no hydrogen 3.328 N/A MET 180.A N ARG 184.A O no hydrogen 2.669 N/A GLY 183.A N MET 180.A O no hydrogen 2.874 N/A ARG 184.A N ASP 182.A OD1 no hydrogen 3.194 N/A TYR 186.A N ARG 178.A O.A no hydrogen 2.953 N/A TYR 186.A N ARG 178.A O.B no hydrogen 2.954 N/A GLN 187.A N ARG 178.A O.A no hydrogen 3.289 N/A GLN 187.A N ARG 178.A O.B no hydrogen 3.263 N/A LEU 188.A N TYR 201.A O no hydrogen 2.969 N/A ILE 189.A N ALA 176.A O no hydrogen 2.879 N/A VAL 190.A N TRP 199.A O no hydrogen 2.787 N/A ALA 191.A N GLY 174.A O no hydrogen 2.801 N/A GLU 192.A N LYS 197.A O no hydrogen 3.074 N/A THR 193.A N PHE 171.A O no hydrogen 3.366 N/A THR 193.A OG1 ALA 226.A O no hydrogen 2.775 N/A THR 195.A OG1 GLU 192.A O no hydrogen 3.144 N/A THR 195.A OG1 GLU 192.A OE2 no hydrogen 2.581 N/A LYS 196.A N THR 193.A O no hydrogen 3.144 N/A LYS 196.A NZ HIS 222.A O no hydrogen 2.736 N/A LYS 196.A NZ GLY 224.A O no hydrogen 2.946 N/A LEU 198.A N GLY 216.A O no hydrogen 2.960 N/A TRP 199.A N VAL 190.A O no hydrogen 2.729 N/A TRP 199.A NE1 GLU 192.A OE2 no hydrogen 2.884 N/A SER 200.A N LYS 213.A O.A no hydrogen 2.801 N/A SER 200.A N LYS 213.A O.B no hydrogen 2.796 N/A TYR 201.A N LEU 188.A O no hydrogen 3.091 N/A TYR 201.A OH ASP 166.A OD2 no hydrogen 2.640 N/A ASP 202.A N GLU 210.A O no hydrogen 2.806 N/A ILE 203.A N TYR 186.A O no hydrogen 2.900 N/A LYS 204.A N LYS 208.A O no hydrogen 2.886 N/A LYS 208.A N GLY 205.A O no hydrogen 2.945 N/A LYS 208.A NZ PRO 206.A O no hydrogen 2.762 N/A GLU 210.A N ASP 202.A O no hydrogen 2.988 N/A LYS 212.A NZ ASP 166.A OD2 no hydrogen 3.483 N/A LYS 213.A N.A SER 200.A O no hydrogen 2.896 N/A LYS 213.A N.B SER 200.A O no hydrogen 2.893 N/A GLY 216.A N LEU 198.A O no hydrogen 3.074 N/A HIS 217.A N GLY 255.A O no hydrogen 2.854 N/A ILE 218.A N LYS 196.A O no hydrogen 2.909 N/A GLY 225.A N TRP 242.A O no hydrogen 3.024 N/A ASP 227.A N ALA 240.A O no hydrogen 2.743 N/A GLY 228.A N SER 269.A O no hydrogen 2.790 N/A ASP 230.A N LEU 238.A O no hydrogen 3.026 N/A ASP 232.A N ASN 236.A O no hydrogen 2.932 N/A GLU 233.A N ASN 298.A O no hydrogen 2.802 N/A ASP 234.A N ASP 232.A OD2 no hydrogen 2.797 N/A ASN 235.A N ASP 232.A O no hydrogen 2.944 N/A ASN 236.A N ASP 232.A OD2 no hydrogen 2.998 N/A ASN 236.A ND2 PHE 250.A O no hydrogen 3.536 N/A LEU 237.A N PHE 250.A O no hydrogen 2.911 N/A LEU 238.A N ASP 230.A O no hydrogen 2.889 N/A VAL 239.A N GLU 248.A O no hydrogen 2.790 N/A ALA 240.A N GLY 228.A O no hydrogen 2.781 N/A ASN 241.A N HIS 246.A O no hydrogen 3.144 N/A ASN 241.A ND2 HIS 222.A NE2 no hydrogen 2.985 N/A TRP 242.A N GLY 225.A O no hydrogen 2.871 N/A TRP 242.A NE1 HIS 285.A ND1 no hydrogen 2.937 N/A GLY 243.A N GLU 266.A O no hydrogen 2.947 N/A SER 244.A N ASN 241.A O no hydrogen 3.032 N/A SER 244.A OG ASN 241.A O no hydrogen 2.636 N/A SER 245.A N GLU 266.A O no hydrogen 3.180 N/A SER 245.A OG PHE 265.A O no hydrogen 3.475 N/A HIS 246.A N SER 244.A OG no hydrogen 3.182 N/A HIS 246.A ND1 SER 244.A O no hydrogen 2.968 N/A ILE 247.A N ILE 261.A O no hydrogen 2.921 N/A GLU 248.A N VAL 239.A O no hydrogen 2.773 N/A VAL 249.A N MET 259.A O.A no hydrogen 2.832 N/A VAL 249.A N MET 259.A O.B no hydrogen 2.840 N/A PHE 250.A N LEU 237.A O no hydrogen 2.806 N/A GLY 254.A N GLY 251.A O no hydrogen 3.003 N/A GLY 255.A N TRP 215.A O no hydrogen 2.848 N/A LYS 258.A N.A VAL 249.A O no hydrogen 2.767 N/A LYS 258.A N.B VAL 249.A O no hydrogen 2.736 N/A MET 259.A N.B VAL 249.A O no hydrogen 3.395 N/A ARG 260.A N PRO 2.A O no hydrogen 2.902 N/A ARG 260.A NE GLU 248.A OE1 no hydrogen 2.776 N/A ARG 260.A NE GLU 248.A OE2 no hydrogen 3.397 N/A ARG 260.A NH2 GLU 248.A OE2 no hydrogen 2.735 N/A ILE 261.A N ILE 247.A O no hydrogen 2.816 N/A ARG 262.A N ILE 4.A O no hydrogen 3.002 N/A CYS 263.A N SER 245.A O no hydrogen 2.847 N/A CYS 263.A SG ILE 261.A O no hydrogen 4.002 N/A GLU 266.A N GLU 286.A OE2 no hydrogen 2.736 N/A SER 269.A N THR 283.A O no hydrogen 2.629 N/A SER 269.A OG ASP 227.A OD2 no hydrogen 3.092 N/A ASN 270.A N THR 283.A OG1 no hydrogen 3.092 N/A ASN 270.A ND2 LEU 271.A O no hydrogen 3.331 N/A HIS 272.A N PHE 281.A O no hydrogen 2.895 N/A LYS 274.A N THR 279.A O no hydrogen 2.961 N/A THR 277.A N LYS 274.A O no hydrogen 3.173 N/A THR 277.A OG1 LYS 274.A O no hydrogen 3.006 N/A THR 279.A N THR 277.A OG1 no hydrogen 3.050 N/A THR 279.A OG1 THR 277.A OG1 no hydrogen 3.382 N/A THR 279.A OG1 GLU 294.A OE1 no hydrogen 2.695 N/A THR 279.A OG1 GLU 294.A OE2 no hydrogen 3.565 N/A ILE 280.A N PHE 293.A O no hydrogen 2.843 N/A PHE 281.A N HIS 272.A O no hydrogen 2.854 N/A VAL 282.A N TRP 291.A O no hydrogen 2.838 N/A THR 283.A N ASN 270.A O no hydrogen 2.868 N/A THR 283.A OG1 ALA 18.A O no hydrogen 3.155 N/A THR 283.A OG1 ASN 270.A O no hydrogen 3.326 N/A GLU 284.A N ALA 289.A O no hydrogen 3.032 N/A HIS 285.A N LYS 267.A O no hydrogen 2.894 N/A HIS 285.A NE2 ALA 18.A O no hydrogen 2.897 N/A GLU 286.A N GLU 284.A OE2 no hydrogen 2.913 N/A ASN 287.A N GLU 284.A OE2 no hydrogen 3.000 N/A ALA 289.A N GLU 284.A O no hydrogen 3.188 N/A VAL 290.A N THR 12.A O no hydrogen 2.934 N/A TRP 291.A N VAL 282.A O no hydrogen 2.791 N/A TRP 291.A NE1 GLU 284.A OE1 no hydrogen 2.943 N/A LYS 292.A N THR 9.A O no hydrogen 2.915 N/A PHE 293.A N ILE 280.A O no hydrogen 3.047 N/A TRP 295.A N LYS 278.A O no hydrogen 2.805 N/A TRP 295.A NE1 ASP 232.A OD1 no hydrogen 2.853 N/A ARG 297.A NH1 ASP 232.A OD1 no hydrogen 3.268 N/A LYS 300.A N PHE 231.A O no hydrogen 3.139 N/A GLN 302.A N GLU 305.A OE2 no hydrogen 3.056 N/A GLN 302.A NE2 GLN 75.A OE1 no hydrogen 3.103 N/A GLU 305.A N GLN 302.A O no hydrogen 3.008 N/A THR 306.A N TYR 303.A O no hydrogen 3.157 N/A THR 306.A OG1 TYR 303.A O no hydrogen 2.547 N/A