Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1a0i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N SER 56.A OG no hydrogen 2.939 N/A THR 5.A OG1 ASN 40.A OD1 no hydrogen 3.206 N/A THR 5.A OG1 SER 53.A O no hydrogen 3.366 N/A THR 5.A OG1 SER 56.A OG no hydrogen 2.829 N/A PHE 8.A N TYR 219.A OH no hydrogen 2.833 N/A LYS 9.A N GLY 222.A O no hydrogen 2.978 N/A VAL 11.A N TRP 227.A O no hydrogen 2.869 N/A SER 12.A OG GLU 233.A OE1 no hydrogen 3.024 N/A GLU 15.A N GLU 316.A OE2 no hydrogen 2.899 N/A ILE 18.A N VAL 14.A O no hydrogen 3.190 N/A LYS 19.A N GLU 15.A O no hydrogen 2.799 N/A LYS 19.A NZ LYS 19.A O no hydrogen 3.342 N/A LYS 19.A NZ ASP 23.A OD2 no hydrogen 2.822 N/A LYS 20.A N SER 16.A O no hydrogen 3.054 N/A ALA 21.A N ALA 17.A O no hydrogen 3.068 N/A LEU 22.A N ILE 18.A O no hydrogen 2.934 N/A ASP 23.A N LYS 19.A O no hydrogen 3.093 N/A ASN 24.A N LYS 20.A O no hydrogen 3.095 N/A ALA 25.A N ALA 21.A O no hydrogen 2.762 N/A ALA 25.A N LEU 22.A O no hydrogen 3.261 N/A GLY 26.A N LEU 22.A O no hydrogen 2.819 N/A LEU 28.A N VAL 189.A O no hydrogen 2.876 N/A ILE 29.A N LYS 213.A O no hydrogen 3.134 N/A ALA 30.A N TYR 187.A O no hydrogen 2.741 N/A GLU 31.A N ILE 211.A O no hydrogen 3.269 N/A LYS 33.A N GLY 209.A O no hydrogen 3.184 N/A TYR 34.A OH GLU 185.A OE1 no hydrogen 2.791 N/A VAL 37.A N LEU 93.A O no hydrogen 3.120 N/A ARG 38.A NE ASP 90.A OD1 no hydrogen 2.852 N/A ARG 38.A NH1 PHE 8.A O no hydrogen 2.620 N/A ARG 38.A NH2 PHE 8.A O no hydrogen 2.759 N/A ARG 38.A NH2 ASP 90.A OD1 no hydrogen 3.245 N/A ARG 38.A NH2 ASP 90.A OD2 no hydrogen 2.804 N/A GLY 39.A N GLY 91.A O no hydrogen 2.850 N/A ASN 40.A N LEU 52.A O no hydrogen 2.933 N/A ASN 40.A ND2 GLY 39.A O no hydrogen 2.855 N/A ILE 41.A N LEU 89.A O no hydrogen 2.930 N/A CYS 42.A N TYR 50.A O no hydrogen 3.004 N/A CYS 42.A SG ASN 40.A O no hydrogen 4.012 N/A VAL 43.A N PHE 87.A O no hydrogen 2.878 N/A ASP 44.A N ASN 48.A O no hydrogen 3.004 N/A THR 46.A N ASP 44.A OD1 no hydrogen 2.894 N/A THR 46.A OG1 ASN 45.A OD1 no hydrogen 3.406 N/A ALA 47.A N ASP 44.A O no hydrogen 3.032 N/A ASN 48.A N ASP 44.A OD1 no hydrogen 2.957 N/A ASN 48.A ND2 THR 46.A O no hydrogen 3.641 N/A SER 49.A N GLY 67.A O no hydrogen 2.883 N/A TYR 50.A N CYS 42.A O no hydrogen 2.756 N/A LEU 52.A N ASN 40.A O no hydrogen 3.285 N/A SER 53.A N LYS 57.A O no hydrogen 2.770 N/A SER 53.A OG LYS 57.A O no hydrogen 2.945 N/A SER 56.A N SER 53.A O no hydrogen 3.154 N/A SER 56.A OG THR 5.A OG1 no hydrogen 2.829 N/A THR 58.A OG1 TRP 51.A O no hydrogen 3.544 N/A THR 58.A OG1 GLU 63.A OE2 no hydrogen 3.376 N/A THR 58.A OG1 ASN 66.A OD1 no hydrogen 3.264 N/A ILE 59.A N TRP 51.A O no hydrogen 3.018 N/A ALA 61.A N LEU 107.A O no hydrogen 2.934 N/A LEU 62.A N ILE 59.A O no hydrogen 2.862 N/A GLU 63.A N PRO 60.A O no hydrogen 2.916 N/A LEU 65.A N LEU 62.A O no hydrogen 2.871 N/A ASN 66.A N GLU 63.A O no hydrogen 3.391 N/A GLY 67.A N SER 49.A O no hydrogen 2.993 N/A ASP 69.A N ALA 47.A O no hydrogen 3.133 N/A ARG 71.A N ASP 69.A OD1 no hydrogen 3.097 N/A ARG 71.A NE ASP 69.A OD1 no hydrogen 2.962 N/A ARG 71.A NH1 TYR 175.A O no hydrogen 3.197 N/A ARG 71.A NH1 GLU 178.A OE1 no hydrogen 2.784 N/A ARG 71.A NH1 GLU 178.A OE2 no hydrogen 2.916 N/A ARG 71.A NH2 ASP 69.A OD2 no hydrogen 2.735 N/A ARG 71.A NH2 GLU 178.A OE2 no hydrogen 2.773 N/A TRP 72.A N ASP 69.A O no hydrogen 3.081 N/A LYS 73.A N VAL 70.A O no hydrogen 2.786 N/A ARG 74.A N VAL 70.A O no hydrogen 3.148 N/A LEU 75.A N ARG 71.A O no hydrogen 3.050 N/A LEU 76.A N TRP 72.A O no hydrogen 2.910 N/A ASN 77.A N LYS 73.A O no hydrogen 3.000 N/A ASP 78.A N ARG 74.A O no hydrogen 3.123 N/A ARG 80.A N ASP 78.A OD1 no hydrogen 2.908 N/A ARG 80.A NE ASP 78.A OD1 no hydrogen 2.849 N/A ARG 80.A NE ASP 78.A OD2 no hydrogen 3.165 N/A ARG 80.A NH2 ASP 78.A OD2 no hydrogen 2.604 N/A ARG 80.A NH2 GLU 174.A OE1 no hydrogen 2.559 N/A CYS 81.A N ASP 78.A O no hydrogen 2.863 N/A CYS 81.A SG TYR 83.A O no hydrogen 3.259 N/A LYS 84.A NZ LEU 76.A O no hydrogen 2.776 N/A LYS 84.A NZ ASN 77.A O no hydrogen 2.843 N/A LYS 84.A NZ ASP 78.A O no hydrogen 2.485 N/A LYS 84.A NZ CYS 81.A O no hydrogen 3.006 N/A GLY 86.A N TYR 83.A O no hydrogen 3.342 N/A PHE 87.A N VAL 43.A O no hydrogen 2.841 N/A MET 88.A N LEU 143.A O no hydrogen 2.968 N/A LEU 89.A N ILE 41.A O no hydrogen 2.860 N/A ASP 90.A N ALA 141.A O no hydrogen 3.046 N/A GLU 92.A N LYS 138.A O no hydrogen 2.934 N/A LEU 93.A N VAL 37.A O no hydrogen 2.745 N/A MET 94.A N HIS 136.A O no hydrogen 2.796 N/A LYS 96.A N HIS 134.A O no hydrogen 2.701 N/A LYS 96.A NZ GLY 133.A O no hydrogen 2.908 N/A LYS 96.A NZ GLU 180.A OE1 no hydrogen 2.642 N/A ASN 101.A N SER 104.A OG no hydrogen 2.873 N/A ASN 101.A ND2 ASP 35.A OD2 no hydrogen 3.433 N/A THR 102.A N ASP 99.A O no hydrogen 3.033 N/A THR 102.A OG1 ASP 99.A OD1 no hydrogen 2.910 N/A THR 102.A OG1 ASP 99.A OD2 no hydrogen 2.893 N/A GLY 103.A N ASP 99.A O no hydrogen 2.983 N/A LEU 106.A N THR 102.A O no hydrogen 2.808 N/A LEU 107.A N GLY 103.A O no hydrogen 2.873 N/A ARG 108.A N SER 104.A O no hydrogen 3.175 N/A ARG 108.A N GLY 105.A O no hydrogen 2.949 N/A THR 109.A N GLY 105.A O no hydrogen 2.931 N/A THR 109.A N LEU 106.A O no hydrogen 3.379 N/A THR 109.A OG1 GLY 105.A O no hydrogen 2.746 N/A THR 109.A OG1 LEU 106.A O no hydrogen 3.042 N/A LYS 110.A NZ LYS 110.A O no hydrogen 3.567 N/A THR 112.A OG1 VAL 126.A O no hydrogen 3.239 N/A LYS 115.A N ASP 113.A O no hydrogen 3.170 N/A GLN 117.A N ASN 116.A OD1 no hydrogen 3.087 N/A GLN 117.A N LYS 129.A O no hydrogen 3.265 N/A LYS 129.A N ASN 116.A OD1 no hydrogen 3.303 N/A LEU 130.A N ALA 61.A O no hydrogen 2.787 N/A HIS 131.A N LYS 115.A O no hydrogen 3.262 N/A HIS 131.A ND1 GLN 117.A OE1 no hydrogen 2.793 N/A HIS 134.A N HIS 131.A O no hydrogen 2.752 N/A LEU 135.A N THR 132.A O no hydrogen 3.132 N/A HIS 136.A N MET 94.A O no hydrogen 2.805 N/A HIS 136.A ND1 ILE 137.A O no hydrogen 3.068 N/A ILE 137.A N GLU 180.A O no hydrogen 2.880 N/A LYS 138.A N GLU 92.A O no hydrogen 2.894 N/A LYS 138.A NZ HIS 136.A NE2 no hydrogen 3.443 N/A LEU 139.A N GLN 182.A O no hydrogen 2.885 N/A TYR 140.A N ASP 90.A O no hydrogen 3.050 N/A ALA 141.A N ASP 90.A O no hydrogen 3.100 N/A LEU 143.A N MET 88.A O no hydrogen 2.973 N/A LEU 145.A N GLY 86.A O no hydrogen 2.996 N/A HIS 146.A ND1 ASP 85.A OD2 no hydrogen 2.875 N/A ILE 147.A N PRO 144.A O no hydrogen 2.995 N/A GLU 149.A N LEU 145.A O no hydrogen 2.971 N/A SER 150.A N HIS 146.A O no hydrogen 3.048 N/A SER 150.A OG HIS 146.A O no hydrogen 2.752 N/A SER 150.A OG ILE 147.A O no hydrogen 3.059 N/A GLY 151.A N ILE 147.A O no hydrogen 3.072 N/A CYS 154.A N TYR 219.A O no hydrogen 2.818 N/A VAL 156.A N CYS 154.A O no hydrogen 2.985 N/A THR 158.A N CYS 217.A O no hydrogen 2.857 N/A THR 158.A OG1 ASP 214.A O no hydrogen 2.879 N/A THR 158.A OG1 CYS 217.A O no hydrogen 2.925 N/A LEU 159.A N PRO 215.A O no hydrogen 3.212 N/A LEU 160.A N MET 157.A O no hydrogen 2.997 N/A MET 161.A N MET 157.A O no hydrogen 3.011 N/A GLN 162.A N THR 158.A O no hydrogen 3.448 N/A GLU 163.A N LEU 160.A O no hydrogen 2.754 N/A HIS 164.A N LEU 160.A O no hydrogen 3.032 N/A VAL 165.A N MET 161.A O no hydrogen 2.835 N/A LYS 166.A N GLN 162.A O no hydrogen 3.027 N/A ASN 167.A N GLU 163.A O no hydrogen 2.846 N/A MET 168.A N HIS 164.A O no hydrogen 3.077 N/A LEU 169.A N VAL 165.A O no hydrogen 3.053 N/A LEU 172.A N MET 168.A O no hydrogen 3.079 N/A GLN 173.A N LEU 169.A O no hydrogen 2.943 N/A GLN 173.A NE2 TRP 181.A O no hydrogen 3.509 N/A GLU 174.A N PRO 170.A O no hydrogen 2.854 N/A TYR 175.A N LEU 171.A O no hydrogen 2.943 N/A TYR 175.A OH ASP 78.A OD2 no hydrogen 2.837 N/A PHE 176.A N LEU 172.A O no hydrogen 2.797 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.952 N/A GLU 180.A N LEU 135.A O no hydrogen 3.423 N/A TRP 181.A NE1 PHE 176.A O no hydrogen 2.867 N/A ALA 184.A N LEU 139.A O no hydrogen 3.050 N/A GLU 185.A N TYR 34.A OH no hydrogen 3.081 N/A SER 186.A OG ALA 184.A O no hydrogen 3.350 N/A TYR 187.A N ALA 30.A O no hydrogen 2.736 N/A VAL 189.A N LEU 28.A O no hydrogen 2.887 N/A TYR 190.A N GLU 194.A OE1 no hydrogen 2.878 N/A GLU 194.A N ASP 191.A OD1 no hydrogen 2.934 N/A LEU 195.A N ASP 191.A O no hydrogen 2.967 N/A GLN 196.A N MET 192.A O no hydrogen 3.105 N/A GLN 197.A N VAL 193.A O no hydrogen 2.894 N/A LEU 198.A N GLU 194.A O no hydrogen 2.979 N/A TYR 199.A N LEU 195.A O no hydrogen 2.931 N/A GLU 200.A N GLN 196.A O no hydrogen 2.958 N/A GLN 201.A N GLN 197.A O no hydrogen 2.963 N/A LYS 202.A N LEU 198.A O no hydrogen 2.898 N/A LYS 202.A NZ GLU 205.A OE1 no hydrogen 2.766 N/A LYS 202.A NZ GLU 205.A OE2 no hydrogen 3.086 N/A ARG 203.A N TYR 199.A O no hydrogen 2.863 N/A ARG 203.A NE GLU 208.A OE1 no hydrogen 2.727 N/A ARG 203.A NH1 TYR 199.A OH no hydrogen 2.777 N/A ALA 204.A N GLU 200.A O no hydrogen 2.889 N/A GLU 205.A N LYS 202.A O no hydrogen 3.125 N/A GLY 206.A N ARG 203.A O no hydrogen 2.747 N/A HIS 207.A N LYS 202.A O no hydrogen 2.934 N/A LEU 210.A N MET 230.A O no hydrogen 3.336 N/A ILE 211.A N GLU 31.A O no hydrogen 2.975 N/A VAL 212.A N TRP 228.A O no hydrogen 2.727 N/A LYS 213.A N ILE 29.A O no hydrogen 2.851 N/A LYS 213.A NZ GLU 31.A OE1 no hydrogen 2.509 N/A LYS 213.A NZ GLU 31.A OE2 no hydrogen 2.702 N/A ASP 214.A N GLY 226.A O no hydrogen 2.795 N/A MET 216.A N ASP 214.A OD1 no hydrogen 3.131 N/A CYS 217.A N ASP 214.A O no hydrogen 3.008 N/A CYS 217.A SG ILE 218.A O no hydrogen 3.659 N/A CYS 217.A SG SER 225.A O no hydrogen 3.930 N/A TYR 219.A N CYS 154.A O no hydrogen 2.974 N/A TYR 219.A OH ASP 90.A OD2 no hydrogen 2.867 N/A LYS 220.A NZ SER 225.A O no hydrogen 2.812 N/A ARG 221.A NE ASN 6.A O no hydrogen 3.000 N/A ARG 221.A NH1 ILE 147.A O no hydrogen 2.769 N/A ARG 221.A NH1 GLU 152.A O no hydrogen 2.757 N/A ARG 221.A NH2 THR 5.A O no hydrogen 2.564 N/A ARG 221.A NH2 VAL 148.A O no hydrogen 3.103 N/A GLY 222.A N PRO 7.A O no hydrogen 2.793 N/A LYS 224.A N LYS 9.A O no hydrogen 3.052 N/A LYS 224.A NZ ARG 221.A O no hydrogen 2.667 N/A TRP 228.A N VAL 212.A O no hydrogen 2.801 N/A LYS 229.A N VAL 11.A O no hydrogen 2.661 N/A LYS 229.A NZ GLU 233.A OE1 no hydrogen 2.748 N/A LYS 229.A NZ GLU 233.A OE2 no hydrogen 2.795 N/A MET 230.A N LEU 210.A O no hydrogen 2.793 N/A ASN 234.A N TYR 314.A O no hydrogen 3.220 N/A ASN 234.A ND2 TYR 314.A O no hydrogen 3.263 N/A ALA 236.A N ILE 312.A O no hydrogen 2.593 N/A ILE 239.A N LEU 262.A O no hydrogen 3.096 N/A ILE 240.A N TRP 308.A O no hydrogen 2.694 N/A GLN 241.A N GLU 260.A O no hydrogen 2.900 N/A VAL 244.A N GLY 258.A O no hydrogen 2.866 N/A ILE 257.A N VAL 244.A O no hydrogen 3.189 N/A ILE 257.A N TRP 245.A O no hydrogen 3.080 N/A PHE 259.A N ALA 271.A O no hydrogen 3.141 N/A GLU 260.A N GLY 242.A O no hydrogen 2.984 N/A VAL 261.A N VAL 269.A O no hydrogen 2.860 N/A LEU 262.A N ILE 239.A O no hydrogen 3.145 N/A LEU 263.A N ARG 267.A O no hydrogen 2.736 N/A GLY 266.A N LEU 263.A O no hydrogen 2.820 N/A ARG 267.A NH1 ASP 320.A O no hydrogen 2.481 N/A VAL 269.A N VAL 261.A O no hydrogen 2.869 N/A ASN 270.A ND2 PHE 259.A O no hydrogen 3.470 N/A ASN 270.A ND2 VAL 269.A O no hydrogen 3.668 N/A ALA 271.A N PHE 259.A O no hydrogen 3.176 N/A THR 272.A N PRO 326.A O no hydrogen 3.149 N/A ARG 276.A NH1 ASN 252.A OD1 no hydrogen 3.075 N/A LEU 278.A N SER 275.A OG no hydrogen 2.754 N/A ASP 280.A N ARG 276.A O no hydrogen 2.902 N/A GLU 281.A N ALA 277.A O no hydrogen 3.131 N/A PHE 282.A N LEU 278.A O no hydrogen 2.944 N/A THR 283.A N MET 279.A O no hydrogen 3.005 N/A THR 283.A OG1 MET 279.A O no hydrogen 2.925 N/A GLU 284.A N ASP 280.A O no hydrogen 3.403 N/A THR 285.A N GLU 281.A O no hydrogen 3.239 N/A THR 285.A OG1 GLU 281.A O no hydrogen 2.960 N/A THR 285.A OG1 TYR 305.A OH no hydrogen 3.273 N/A VAL 286.A N PHE 282.A O no hydrogen 2.931 N/A LYS 287.A N THR 283.A O no hydrogen 2.581 N/A LYS 287.A NZ GLU 284.A OE2 no hydrogen 2.663 N/A GLU 288.A N GLU 284.A O no hydrogen 2.818 N/A ALA 289.A N THR 285.A O no hydrogen 3.198 N/A THR 290.A N VAL 286.A O no hydrogen 3.128 N/A THR 290.A OG1 VAL 286.A O no hydrogen 2.705 N/A THR 290.A OG1 ILE 302.A O no hydrogen 3.275 N/A LEU 291.A N LYS 287.A O no hydrogen 3.091 N/A LEU 291.A N GLU 288.A O no hydrogen 2.852 N/A SER 292.A N ALA 289.A O no hydrogen 3.178 N/A GLN 293.A NE2 CYS 300.A O no hydrogen 3.052 N/A TYR 305.A N ASN 303.A O no hydrogen 2.729 N/A ASP 306.A N ASN 303.A O no hydrogen 3.200 N/A GLY 307.A N ILE 240.A O no hydrogen 2.825 N/A TRP 308.A N TYR 305.A O no hydrogen 2.940 N/A CYS 310.A N GLY 238.A O no hydrogen 2.755 N/A GLN 311.A N MET 330.A O no hydrogen 2.690 N/A ILE 312.A N ALA 236.A O no hydrogen 2.963 N/A SER 313.A N SER 327.A O no hydrogen 2.839 N/A SER 313.A OG SER 327.A O no hydrogen 3.501 N/A TYR 314.A N ASN 234.A O no hydrogen 2.681 N/A MET 315.A N ARG 324.A O no hydrogen 2.668 N/A GLU 316.A N ARG 324.A O no hydrogen 3.341 N/A THR 318.A N SER 322.A O no hydrogen 2.764 N/A THR 318.A OG1 SER 322.A O no hydrogen 3.352 N/A GLY 321.A N THR 318.A O no hydrogen 3.001 N/A SER 322.A N ASP 320.A OD1 no hydrogen 3.241 N/A SER 322.A OG ASP 320.A OD1 no hydrogen 3.398 N/A SER 322.A OG ASP 320.A OD2 no hydrogen 3.379 N/A ARG 324.A N GLU 316.A O no hydrogen 2.729 N/A ARG 324.A NH1 GLU 15.A OE1 no hydrogen 2.892 N/A ARG 324.A NH2 THR 318.A OG1 no hydrogen 2.952 N/A SER 327.A N SER 313.A O no hydrogen 2.840 N/A VAL 329.A N GLN 311.A O no hydrogen 2.905 N/A MET 330.A N GLN 311.A O no hydrogen 3.281 N/A ARG 332.A N ALA 309.A O no hydrogen 2.825 N/A ARG 332.A NH1 ASP 237.A OD2 no hydrogen 3.342 N/A ARG 332.A NH1 ARG 332.A O no hydrogen 3.486 N/A ARG 332.A NH2 ASP 237.A OD2 no hydrogen 2.677 N/A