Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7bti_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 8.A N PRO 102.A O no hydrogen 2.482 N/A VAL 9.A N GLY 20.A O no hydrogen 3.082 N/A CYS 10.A N LEU 104.A O no hydrogen 3.146 N/A CYS 10.A SG LEU 104.A O no hydrogen 3.694 N/A ASP 11.A N LYS 18.A O no hydrogen 2.640 N/A GLY 13.A N ASP 11.A O no hydrogen 2.818 N/A VAL 17.A N PHE 31.A O no hydrogen 2.853 N/A LYS 18.A N ASP 11.A O no hydrogen 3.410 N/A LYS 18.A NZ LEU 16.A O no hydrogen 2.417 N/A ALA 22.A N ALA 7.A O no hydrogen 3.042 N/A GLY 23.A N SER 344.A O no hydrogen 3.339 N/A ARG 28.A N ALA 19.A O no hydrogen 2.860 N/A PHE 31.A N VAL 17.A O no hydrogen 3.344 N/A SER 33.A N GLY 15.A O no hydrogen 2.935 N/A GLY 36.A N TYR 53.A O no hydrogen 2.867 N/A SER 52.A N LYS 50.A O no hydrogen 2.660 N/A TYR 53.A N GLY 36.A O no hydrogen 3.036 N/A VAL 54.A N GLU 57.A OE1 no hydrogen 2.967 N/A GLY 55.A N ILE 34.A O no hydrogen 2.679 N/A GLN 59.A NE2 GLU 207.A OE1 no hydrogen 2.463 N/A SER 60.A N ASP 56.A O no hydrogen 2.925 N/A SER 60.A OG ASP 56.A O no hydrogen 3.090 N/A LYS 61.A N GLU 57.A O no hydrogen 2.920 N/A LYS 61.A NZ GLU 57.A O no hydrogen 2.774 N/A ARG 62.A NE GLN 59.A OE1 no hydrogen 2.857 N/A THR 66.A N ARG 37.A O no hydrogen 2.952 N/A THR 66.A OG1 ARG 37.A O no hydrogen 3.234 N/A LYS 68.A N VAL 35.A O no hydrogen 3.232 N/A LYS 68.A NZ ASP 81.A OD2 no hydrogen 3.460 N/A TYR 69.A OH GLU 207.A OE2 no hydrogen 2.601 N/A GLU 72.A N ILE 75.A O no hydrogen 3.054 N/A THR 77.A N PRO 70.A O no hydrogen 3.114 N/A THR 77.A OG1 PRO 70.A O no hydrogen 3.113 N/A ASP 80.A N ASN 78.A OD1 no hydrogen 2.937 N/A ASP 81.A N ASN 78.A OD1 no hydrogen 3.103 N/A GLU 83.A N TRP 79.A O no hydrogen 3.251 N/A LYS 84.A N ASP 80.A O no hydrogen 3.185 N/A LYS 84.A NZ SER 52.A OG no hydrogen 3.268 N/A ILE 85.A N ASP 81.A O no hydrogen 2.913 N/A TRP 86.A N MET 82.A O no hydrogen 2.910 N/A HIS 87.A N GLU 83.A O no hydrogen 2.907 N/A HIS 88.A N LYS 84.A O no hydrogen 2.891 N/A THR 89.A N ILE 85.A O no hydrogen 2.868 N/A THR 89.A OG1 ILE 85.A O no hydrogen 2.287 N/A PHE 90.A N TRP 86.A O no hydrogen 2.949 N/A TYR 91.A N HIS 87.A O no hydrogen 2.921 N/A GLU 93.A N HIS 88.A O no hydrogen 3.126 N/A LEU 94.A N PHE 90.A O no hydrogen 2.939 N/A ARG 95.A N PHE 90.A O no hydrogen 3.097 N/A ARG 95.A N TYR 91.A O no hydrogen 2.927 N/A GLU 99.A N GLU 99.A OE1 no hydrogen 2.865 N/A GLU 100.A N ALA 97.A O no hydrogen 3.316 N/A HIS 101.A ND1 THR 6.A O no hydrogen 2.461 N/A THR 103.A N ALA 131.A O no hydrogen 2.903 N/A LEU 104.A N LEU 8.A O no hydrogen 2.509 N/A LEU 105.A N TYR 133.A O no hydrogen 2.824 N/A ASN 115.A N PRO 112.A O no hydrogen 3.204 N/A ASN 115.A ND2 GLY 74.A O no hydrogen 3.696 N/A GLU 117.A N LYS 113.A O no hydrogen 3.006 N/A LYS 118.A N ALA 114.A O no hydrogen 2.902 N/A MET 119.A N ASN 115.A O no hydrogen 2.884 N/A THR 120.A N ARG 116.A O no hydrogen 2.942 N/A THR 120.A OG1 ARG 116.A O no hydrogen 2.771 N/A GLN 121.A N GLU 117.A O no hydrogen 2.950 N/A ILE 122.A N LYS 118.A O no hydrogen 2.905 N/A MET 123.A N MET 119.A O no hydrogen 2.920 N/A PHE 124.A N THR 120.A O no hydrogen 2.953 N/A GLU 125.A N GLN 121.A O no hydrogen 2.903 N/A THR 126.A N ILE 122.A O no hydrogen 3.273 N/A ASN 128.A N PHE 124.A O no hydrogen 3.173 N/A VAL 129.A N MET 123.A O no hydrogen 3.351 N/A MET 132.A N ILE 357.A O no hydrogen 3.235 N/A TYR 133.A N THR 103.A O no hydrogen 3.273 N/A ALA 135.A N LEU 105.A O no hydrogen 3.412 N/A GLN 137.A N GLU 107.A O no hydrogen 3.168 N/A GLN 137.A NE2 HIS 161.A NE2 no hydrogen 3.669 N/A TYR 143.A N VAL 139.A O no hydrogen 2.953 N/A ALA 144.A N LEU 140.A O no hydrogen 2.890 N/A SER 145.A N SER 141.A O no hydrogen 2.914 N/A SER 145.A OG SER 141.A O no hydrogen 2.986 N/A GLY 146.A N LEU 142.A O no hydrogen 2.924 N/A THR 149.A OG1 TYR 166.A O no hydrogen 2.462 N/A GLY 150.A N ILE 165.A O no hydrogen 3.022 N/A ILE 151.A N ASN 296.A O no hydrogen 3.281 N/A VAL 152.A N VAL 163.A O no hydrogen 3.301 N/A LEU 153.A N VAL 298.A O no hydrogen 2.890 N/A ASP 154.A N HIS 161.A O no hydrogen 3.296 N/A SER 155.A OG THR 160.A OG1 no hydrogen 2.807 N/A GLY 156.A N VAL 159.A O no hydrogen 3.225 N/A THR 160.A OG1 SER 155.A OG no hydrogen 2.807 N/A THR 160.A OG1 VAL 159.A O no hydrogen 2.824 N/A HIS 161.A N ASP 154.A O no hydrogen 3.169 N/A ASN 162.A ND2 THR 278.A OG1 no hydrogen 2.804 N/A ILE 165.A N GLY 150.A O no hydrogen 2.951 N/A ALA 174.A N LEU 171.A O no hydrogen 3.435 N/A ARG 177.A NH1 PRO 109.A O no hydrogen 2.897 N/A ARG 177.A NH2 HIS 73.A O no hydrogen 2.979 N/A LEU 178.A N THR 160.A O no hydrogen 2.592 N/A ARG 183.A N ASP 157.A O no hydrogen 3.246 N/A ARG 183.A NE ASP 157.A OD2 no hydrogen 3.191 N/A ARG 183.A NH2 ASP 157.A OD2 no hydrogen 3.119 N/A LEU 185.A N ALA 181.A O no hydrogen 2.980 N/A THR 186.A N GLY 182.A O no hydrogen 2.864 N/A THR 186.A OG1 GLY 182.A O no hydrogen 2.725 N/A ASP 187.A N ARG 183.A O no hydrogen 2.967 N/A LEU 189.A N LEU 185.A O no hydrogen 2.872 N/A MET 190.A N THR 186.A O no hydrogen 2.960 N/A LYS 191.A N TYR 188.A O no hydrogen 3.294 N/A ILE 192.A N TYR 188.A O no hydrogen 2.859 N/A ILE 192.A N LEU 189.A O no hydrogen 3.158 N/A LEU 193.A N LEU 189.A O no hydrogen 2.911 N/A THR 194.A OG1 LYS 191.A O no hydrogen 2.832 N/A ARG 196.A NH1 GLU 253.A OE2 no hydrogen 2.466 N/A TYR 198.A N LEU 193.A O no hydrogen 3.379 N/A VAL 201.A N GLU 205.A OE1 no hydrogen 2.406 N/A THR 202.A N GLU 205.A OE1 no hydrogen 3.064 N/A GLU 205.A N THR 202.A O no hydrogen 3.212 N/A ARG 206.A N THR 202.A O no hydrogen 2.934 N/A ARG 206.A NE ASP 187.A OD1 no hydrogen 3.107 N/A GLU 207.A N THR 203.A O no hydrogen 2.980 N/A ILE 208.A N GLU 205.A O no hydrogen 3.110 N/A VAL 209.A N GLU 205.A O no hydrogen 2.944 N/A ARG 210.A N ARG 206.A O no hydrogen 2.930 N/A ARG 210.A NH1 GLU 214.A OE2 no hydrogen 3.037 N/A ARG 210.A NH2 GLU 207.A OE1 no hydrogen 3.134 N/A ILE 212.A N ILE 208.A O no hydrogen 2.916 N/A LYS 213.A N VAL 209.A O no hydrogen 2.913 N/A GLU 214.A N ARG 210.A O no hydrogen 2.939 N/A LYS 215.A NZ ASP 211.A OD1 no hydrogen 3.136 N/A LEU 216.A N ILE 212.A O no hydrogen 3.211 N/A TYR 218.A N ARG 254.A O no hydrogen 3.175 N/A TYR 218.A OH GLU 226.A OE1 no hydrogen 3.428 N/A GLU 226.A N ASP 222.A O no hydrogen 2.919 N/A MET 227.A N PHE 223.A O no hydrogen 2.923 N/A ALA 228.A N GLU 224.A O no hydrogen 2.918 N/A THR 229.A N ASN 225.A O no hydrogen 2.859 N/A THR 229.A OG1 ASN 225.A O no hydrogen 2.562 N/A ALA 230.A N GLU 226.A O no hydrogen 2.937 N/A SER 235.A OG GLU 237.A OE1 no hydrogen 3.493 N/A TYR 240.A N ILE 248.A O no hydrogen 3.032 N/A TYR 240.A OH ASP 211.A OD2 no hydrogen 2.537 N/A LEU 242.A N GLN 246.A O no hydrogen 2.485 N/A GLY 245.A N LEU 242.A O no hydrogen 3.116 N/A GLN 246.A N ASP 244.A OD1 no hydrogen 3.278 N/A ILE 248.A N TYR 240.A O no hydrogen 2.790 N/A THR 249.A N TYR 198.A OH no hydrogen 3.118 N/A ILE 250.A N LYS 238.A O no hydrogen 3.298 N/A ARG 254.A NE LEU 216.A O no hydrogen 2.761 N/A ARG 254.A NH1 LEU 236.A O no hydrogen 2.881 N/A ARG 254.A NH2 LEU 216.A O no hydrogen 3.152 N/A ARG 256.A NH1 GLU 195.A OE1 no hydrogen 3.168 N/A CYS 257.A SG LEU 185.A O no hydrogen 3.493 N/A THR 260.A OG1 CYS 257.A O no hydrogen 3.093 N/A LEU 261.A N PRO 258.A O no hydrogen 3.359 N/A PHE 262.A N GLU 259.A O no hydrogen 3.110 N/A GLN 263.A N GLU 259.A O no hydrogen 2.887 N/A PHE 266.A N GLN 263.A O no hydrogen 3.523 N/A MET 269.A N PRO 264.A O no hydrogen 3.126 N/A ILE 274.A N LEU 261.A O no hydrogen 3.084 N/A GLU 276.A N GLY 273.A O no hydrogen 3.132 N/A THR 277.A N GLY 273.A O no hydrogen 2.969 N/A THR 277.A OG1 GLY 273.A O no hydrogen 3.340 N/A THR 278.A OG1 ILE 274.A O no hydrogen 2.567 N/A ASN 280.A N GLU 276.A O no hydrogen 2.918 N/A SER 281.A N THR 277.A O no hydrogen 2.888 N/A SER 281.A OG THR 277.A O no hydrogen 3.043 N/A SER 281.A OG THR 278.A O no hydrogen 2.696 N/A ILE 282.A N THR 278.A O no hydrogen 2.932 N/A MET 283.A N TYR 279.A O no hydrogen 2.892 N/A LYS 284.A N ASN 280.A O no hydrogen 2.913 N/A CYS 285.A N ILE 282.A O no hydrogen 3.033 N/A CYS 285.A SG SER 281.A O no hydrogen 3.235 N/A ILE 287.A N ASP 286.A OD1 no hydrogen 2.672 N/A ARG 290.A NE ASP 286.A O no hydrogen 2.608 N/A ARG 290.A NH2 CYS 285.A O no hydrogen 3.254 N/A ASP 292.A N ILE 289.A O no hydrogen 3.320 N/A LEU 293.A N ILE 289.A O no hydrogen 2.967 N/A TYR 294.A N ARG 290.A O no hydrogen 2.882 N/A ASN 296.A ND2 ASP 292.A O no hydrogen 2.835 N/A ASN 297.A N LYS 328.A O no hydrogen 3.223 N/A MET 299.A N ILE 330.A O no hydrogen 3.273 N/A SER 300.A N LEU 153.A O no hydrogen 3.430 N/A SER 300.A OG SER 141.A OG no hydrogen 3.345 N/A SER 300.A OG ASP 154.A OD2 no hydrogen 2.761 N/A THR 303.A N SER 155.A O no hydrogen 3.193 N/A THR 303.A OG1 SER 155.A O no hydrogen 2.684 N/A THR 303.A OG1 GLY 156.A O no hydrogen 2.321 N/A THR 304.A OG1 SER 300.A O no hydrogen 2.345 N/A THR 304.A OG1 GLY 301.A O no hydrogen 3.068 N/A MET 305.A N GLY 302.A O no hydrogen 3.317 N/A GLY 308.A N TYR 306.A O no hydrogen 2.813 N/A ILE 309.A N TYR 306.A O no hydrogen 3.483 N/A ARG 312.A N GLY 308.A O no hydrogen 3.345 N/A ARG 312.A NE LEU 221.A O no hydrogen 3.108 N/A ARG 312.A NH1 GLU 259.A OE2 no hydrogen 2.974 N/A ARG 312.A NH2 LEU 221.A O no hydrogen 3.373 N/A ARG 312.A NH2 GLU 259.A OE2 no hydrogen 3.241 N/A MET 313.A N ILE 309.A O no hydrogen 3.331 N/A GLN 314.A N ALA 310.A O no hydrogen 2.947 N/A GLN 314.A NE2 ILE 327.A O no hydrogen 2.447 N/A LYS 315.A N ASP 311.A O no hydrogen 2.883 N/A GLU 316.A N ARG 312.A O no hydrogen 2.901 N/A ILE 317.A N MET 313.A O no hydrogen 2.951 N/A THR 318.A OG1 GLN 314.A O no hydrogen 3.286 N/A THR 318.A OG1 LYS 315.A O no hydrogen 2.541 N/A LEU 320.A N ILE 317.A O no hydrogen 3.034 N/A MET 325.A N PRO 322.A O no hydrogen 3.206 N/A ILE 330.A N ASN 297.A O no hydrogen 2.662 N/A ARG 335.A NE THR 304.A O no hydrogen 2.989 N/A ARG 335.A NH1 PRO 332.A O no hydrogen 2.428 N/A ARG 335.A NH2 THR 304.A O no hydrogen 2.679 N/A TRP 340.A NE1 VAL 9.A O no hydrogen 2.606 N/A ILE 341.A N TYR 337.A O no hydrogen 2.916 N/A GLY 342.A N SER 338.A O no hydrogen 2.895 N/A GLY 343.A N VAL 339.A O no hydrogen 2.936 N/A SER 344.A N TRP 340.A O no hydrogen 2.901 N/A SER 344.A OG ASP 24.A O no hydrogen 3.564 N/A SER 344.A OG TRP 340.A O no hydrogen 3.253 N/A SER 344.A OG ILE 341.A O no hydrogen 2.662 N/A ILE 345.A N ILE 341.A O no hydrogen 2.932 N/A LEU 346.A N GLY 342.A O no hydrogen 2.881 N/A ALA 347.A N GLY 343.A O no hydrogen 2.929 N/A SER 348.A N ILE 345.A O no hydrogen 3.268 N/A SER 348.A OG SER 344.A O no hydrogen 3.299 N/A GLN 353.A N LEU 349.A O no hydrogen 2.918 N/A MET 355.A N PHE 352.A O no hydrogen 2.825 N/A ILE 357.A N MET 132.A O no hydrogen 3.219 N/A LYS 359.A NZ ASP 363.A OD1 no hydrogen 2.497 N/A GLN 360.A NE2 GLN 360.A O no hydrogen 3.635 N/A GLU 361.A N THR 358.A OG1 no hydrogen 3.402 N/A TYR 362.A N THR 358.A O no hydrogen 3.259 N/A TYR 362.A OH GLU 125.A OE2 no hydrogen 2.471 N/A ASP 363.A N LYS 359.A O no hydrogen 2.923 N/A HIS 371.A N SER 368.A O no hydrogen 3.421 N/A HIS 371.A NE2 GLU 117.A OE2 no hydrogen 2.874 N/A ARG 372.A N ILE 369.A O no hydrogen 3.242 N/A LYS 373.A N ILE 369.A O no hydrogen 2.964 N/A LYS 373.A NZ TRP 356.A O no hydrogen 2.843 N/A LYS 373.A NZ GLU 361.A OE1 no hydrogen 3.460 N/A CYS 374.A SG VAL 134.A O no hydrogen 3.804 N/A