Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6x3u_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A OG1 ASP 1.A OD1 no hydrogen 3.393 N/A THR 7.A N THR 3.A O no hydrogen 3.317 N/A THR 7.A OG1 THR 3.A O no hydrogen 3.138 N/A ARG 8.A N THR 4.A O no hydrogen 2.948 N/A ILE 9.A N VAL 5.A O no hydrogen 2.941 N/A LEU 10.A N PHE 6.A O no hydrogen 2.952 N/A ASP 11.A N THR 7.A O no hydrogen 2.910 N/A ARG 12.A N ARG 8.A O no hydrogen 2.929 N/A LEU 13.A N ILE 9.A O no hydrogen 2.895 N/A LEU 14.A N LEU 10.A O no hydrogen 3.032 N/A TYR 17.A OH ASP 63.A OD2 no hydrogen 2.918 N/A ASN 19.A N ASN 19.A OD1 no hydrogen 2.601 N/A ARG 20.A NH2 ASP 18.A OD2 no hydrogen 3.324 N/A ARG 22.A NH1 ARG 28.A O no hydrogen 3.354 N/A ARG 22.A NH1 THR 30.A OG1 no hydrogen 3.275 N/A ARG 28.A NH1 GLU 64.A OE2 no hydrogen 2.991 N/A THR 30.A N GLU 157.A O no hydrogen 3.097 N/A THR 30.A OG1 PRO 23.A O no hydrogen 3.170 N/A VAL 32.A N VAL 159.A O no hydrogen 3.131 N/A LYS 33.A N SER 60.A O no hydrogen 2.722 N/A THR 34.A N GLU 161.A O no hydrogen 2.732 N/A THR 34.A OG1 GLU 161.A O no hydrogen 3.511 N/A ASP 35.A N ARG 58.A O no hydrogen 3.012 N/A PHE 37.A N PHE 56.A O no hydrogen 2.992 N/A VAL 38.A N VAL 171.A O no hydrogen 2.924 N/A THR 39.A N ASP 54.A O no hydrogen 2.870 N/A THR 39.A OG1 ASP 54.A O no hydrogen 3.219 N/A SER 40.A OG THR 39.A O no hydrogen 2.676 N/A PHE 41.A N GLY 176.A O no hydrogen 3.454 N/A GLY 42.A N THR 52.A O no hydrogen 2.843 N/A SER 45.A N GLU 50.A O no hydrogen 3.099 N/A SER 45.A OG ASP 48.A OD2 no hydrogen 3.303 N/A HIS 47.A NE2 SER 267.A O no hydrogen 2.990 N/A GLU 50.A N SER 45.A O no hydrogen 3.269 N/A TYR 51.A N ALA 128.A O no hydrogen 3.120 N/A TYR 51.A OH PRO 145.A O no hydrogen 2.504 N/A ILE 53.A N VAL 126.A O no hydrogen 2.921 N/A ASP 54.A N SER 40.A O no hydrogen 3.059 N/A VAL 55.A N LEU 124.A O no hydrogen 3.138 N/A PHE 56.A N PHE 37.A O no hydrogen 2.785 N/A PHE 57.A N MET 122.A O no hydrogen 2.941 N/A ARG 58.A N ASP 35.A O no hydrogen 2.936 N/A ARG 58.A NH2 ASP 35.A OD2 no hydrogen 2.634 N/A GLN 59.A N TYR 120.A O no hydrogen 2.934 N/A SER 60.A N LYS 33.A O no hydrogen 2.892 N/A SER 60.A OG LEU 118.A O no hydrogen 2.977 N/A TRP 61.A N LEU 118.A O no hydrogen 3.346 N/A ASP 63.A N GLY 116.A O no hydrogen 3.111 N/A GLU 64.A N GLU 64.A OE1 no hydrogen 2.540 N/A ARG 65.A N ASP 63.A OD1 no hydrogen 3.300 N/A ARG 65.A NE ASP 63.A OD1 no hydrogen 3.162 N/A ARG 65.A NH1 ASP 18.A O no hydrogen 3.407 N/A ARG 65.A NH1 LEU 21.A O no hydrogen 3.510 N/A ARG 65.A NH2 LEU 21.A O no hydrogen 2.992 N/A ARG 65.A NH2 ASP 63.A OD2 no hydrogen 3.374 N/A LEU 66.A N ASP 63.A O no hydrogen 3.464 N/A LEU 75.A N ILE 112.A O no hydrogen 3.066 N/A LEU 77.A N LEU 110.A O no hydrogen 3.026 N/A ASN 79.A ND2 PRO 106.A O no hydrogen 2.405 N/A SER 83.A OG LEU 80.A O no hydrogen 3.277 N/A LYS 84.A N MET 81.A O no hydrogen 3.102 N/A LYS 84.A NZ LEU 80.A O no hydrogen 3.500 N/A TRP 86.A N TYR 17.A OH no hydrogen 3.313 N/A TRP 86.A NE1 TYR 153.A OH no hydrogen 3.225 N/A THR 90.A OG1 TYR 160.A OH no hydrogen 2.298 N/A PHE 91.A N GLY 149.A O no hydrogen 2.938 N/A HIS 93.A N LYS 147.A O no hydrogen 2.874 N/A ASN 94.A ND2 GLU 129.A O no hydrogen 3.335 N/A ASN 94.A ND2 PRO 145.A O no hydrogen 3.483 N/A GLY 95.A N PHE 92.A O no hydrogen 3.366 N/A LYS 96.A N ARG 127.A O no hydrogen 2.749 N/A VAL 99.A N THR 125.A O no hydrogen 3.140 N/A ASN 107.A N HIS 101.A O no hydrogen 3.345 N/A ASN 107.A ND2 MET 103.A O no hydrogen 3.409 N/A LYS 108.A N PRO 106.A O no hydrogen 2.771 N/A LEU 109.A N THR 121.A O no hydrogen 3.126 N/A ARG 111.A N LEU 119.A O no hydrogen 3.107 N/A ILE 112.A N LEU 75.A O no hydrogen 3.213 N/A THR 113.A N THR 117.A O no hydrogen 2.911 N/A THR 113.A OG1 THR 117.A O no hydrogen 3.559 N/A GLU 114.A N THR 73.A O no hydrogen 3.215 N/A GLY 116.A N THR 113.A O no hydrogen 2.891 N/A THR 117.A OG1 ASP 115.A OD1 no hydrogen 2.812 N/A LEU 118.A N TRP 61.A O no hydrogen 3.101 N/A LEU 119.A N ARG 111.A O no hydrogen 2.954 N/A TYR 120.A N GLN 59.A O no hydrogen 2.932 N/A THR 121.A N LEU 109.A O no hydrogen 3.136 N/A MET 122.A N PHE 57.A O no hydrogen 2.989 N/A ARG 123.A NH2 ASN 107.A OD1 no hydrogen 3.373 N/A LEU 124.A N VAL 55.A O no hydrogen 3.306 N/A THR 125.A N VAL 99.A O no hydrogen 3.061 N/A THR 125.A OG1 ILE 53.A O no hydrogen 3.290 N/A VAL 126.A N ILE 53.A O no hydrogen 2.858 N/A ALA 128.A N TYR 51.A O no hydrogen 3.084 N/A GLU 129.A N ASN 94.A O no hydrogen 3.153 N/A CYS 130.A N MET 49.A O no hydrogen 3.014 N/A LEU 134.A N TYR 273.A OH no hydrogen 2.478 N/A MET 139.A N ASP 136.A O no hydrogen 2.571 N/A ASP 140.A N ASP 140.A OD1 no hydrogen 2.439 N/A HIS 142.A N LEU 210.A O no hydrogen 2.910 N/A CYS 144.A N PHE 208.A O no hydrogen 2.866 N/A LEU 146.A N THR 206.A O no hydrogen 2.846 N/A LYS 147.A N ASN 94.A OD1 no hydrogen 3.471 N/A PHE 148.A N MET 204.A O no hydrogen 3.050 N/A GLY 149.A N PHE 91.A O no hydrogen 3.051 N/A SER 150.A OG ASP 89.A OD1 no hydrogen 3.323 N/A SER 150.A OG TYR 151.A O no hydrogen 3.426 N/A TYR 151.A N ASP 89.A O no hydrogen 3.167 N/A ARG 155.A N GLU 200.A O no hydrogen 3.048 N/A ARG 155.A NH1 GLU 200.A OE1 no hydrogen 3.424 N/A ARG 155.A NH1 GLU 200.A OE2 no hydrogen 3.414 N/A GLU 157.A N THR 154.A O no hydrogen 3.256 N/A VAL 158.A N THR 154.A O no hydrogen 3.143 N/A VAL 159.A N THR 30.A O no hydrogen 3.138 N/A TYR 160.A OH THR 90.A OG1 no hydrogen 2.298 N/A THR 163.A N THR 34.A O no hydrogen 3.106 N/A ARG 164.A NE ARG 168.A O no hydrogen 3.170 N/A ARG 164.A NH1 ASP 35.A OD2 no hydrogen 3.168 N/A ARG 164.A NH2 ASP 35.A OD2 no hydrogen 3.070 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.889 N/A ARG 168.A N GLU 165.A O no hydrogen 2.814 N/A VAL 171.A N ILE 36.A O no hydrogen 3.176 N/A ALA 173.A N VAL 38.A O no hydrogen 3.054 N/A SER 177.A N ASP 175.A O no hydrogen 3.063 N/A ARG 178.A N PHE 41.A O no hydrogen 3.128 N/A LEU 185.A N HIS 209.A O no hydrogen 3.011 N/A THR 188.A OG1 GLN 187.A O no hydrogen 2.796 N/A THR 188.A OG1 HIS 209.A NE2 no hydrogen 3.272 N/A ASP 190.A N THR 205.A O no hydrogen 2.712 N/A SER 191.A N ASP 190.A OD1 no hydrogen 2.789 N/A GLY 192.A N VAL 203.A O no hydrogen 3.018 N/A VAL 194.A N TYR 201.A O no hydrogen 3.067 N/A SER 196.A N GLY 199.A O no hydrogen 2.967 N/A GLY 199.A N SER 196.A O no hydrogen 3.042 N/A TYR 201.A N VAL 194.A O no hydrogen 2.973 N/A VAL 203.A N GLY 192.A O no hydrogen 3.041 N/A MET 204.A N PHE 148.A O no hydrogen 2.859 N/A THR 205.A N ASP 190.A O no hydrogen 2.811 N/A THR 206.A N LEU 146.A O no hydrogen 3.018 N/A HIS 207.A N THR 188.A O no hydrogen 2.580 N/A PHE 208.A N CYS 144.A O no hydrogen 2.958 N/A HIS 209.A N GLY 186.A O no hydrogen 3.336 N/A HIS 209.A NE2 THR 188.A OG1 no hydrogen 3.272 N/A LEU 210.A N HIS 142.A O no hydrogen 3.045 N/A LYS 211.A N ASP 183.A O no hydrogen 3.056 N/A ARG 212.A N ASP 140.A O no hydrogen 3.293 N/A ARG 212.A NE ASP 140.A OD1 no hydrogen 2.909 N/A ARG 212.A NH1 ASP 46.A OD2 no hydrogen 3.145 N/A ARG 212.A NH2 ASP 46.A OD2 no hydrogen 2.604 N/A ARG 212.A NH2 ASP 140.A OD2 no hydrogen 3.452 N/A LYS 213.A N GLN 181.A O no hydrogen 3.042 N/A VAL 218.A N ILE 214.A O no hydrogen 3.101 N/A GLN 220.A N TYR 216.A O no hydrogen 2.905 N/A THR 221.A N PHE 217.A O no hydrogen 2.894 N/A TYR 222.A N PHE 217.A O no hydrogen 3.396 N/A TYR 222.A OH TYR 331.A OH no hydrogen 2.880 N/A LEU 223.A N VAL 218.A O no hydrogen 2.969 N/A CYS 225.A N THR 221.A O no hydrogen 3.355 N/A ILE 226.A N TYR 222.A O no hydrogen 3.354 N/A MET 227.A N LEU 223.A O no hydrogen 2.978 N/A THR 228.A N PRO 224.A O no hydrogen 2.896 N/A THR 228.A OG1 PRO 224.A O no hydrogen 2.875 N/A VAL 229.A N CYS 225.A O no hydrogen 2.973 N/A ILE 230.A N ILE 226.A O no hydrogen 2.905 N/A LEU 231.A N MET 227.A O no hydrogen 2.897 N/A SER 232.A N THR 228.A O no hydrogen 2.908 N/A SER 232.A OG THR 228.A O no hydrogen 3.377 N/A SER 232.A OG THR 253.A OG1 no hydrogen 3.136 N/A GLN 233.A N VAL 229.A O no hydrogen 2.949 N/A VAL 234.A N ILE 230.A O no hydrogen 2.954 N/A SER 235.A N SER 232.A O no hydrogen 3.361 N/A PHE 236.A N GLN 233.A O no hydrogen 3.482 N/A TRP 237.A N VAL 234.A O no hydrogen 3.171 N/A LEU 238.A N SER 235.A O no hydrogen 3.368 N/A GLU 241.A N GLU 241.A OE1 no hydrogen 2.961 N/A SER 242.A N ASN 239.A O no hydrogen 3.435 N/A THR 247.A N VAL 243.A O no hydrogen 2.966 N/A THR 247.A OG1 VAL 243.A O no hydrogen 2.677 N/A VAL 248.A N PRO 244.A O no hydrogen 2.895 N/A PHE 249.A N ALA 245.A O no hydrogen 2.882 N/A GLY 250.A N ARG 246.A O no hydrogen 2.985 N/A VAL 251.A N THR 247.A O no hydrogen 3.023 N/A THR 252.A N VAL 248.A O no hydrogen 2.927 N/A THR 252.A OG1 VAL 248.A O no hydrogen 2.665 N/A THR 252.A OG1 PHE 249.A O no hydrogen 3.146 N/A THR 253.A N PHE 249.A O no hydrogen 2.995 N/A THR 253.A OG1 SER 232.A OG no hydrogen 3.136 N/A THR 253.A OG1 PHE 249.A O no hydrogen 3.350 N/A THR 253.A OG1 GLY 250.A O no hydrogen 2.967 N/A VAL 254.A N GLY 250.A O no hydrogen 3.022 N/A LEU 255.A N VAL 251.A O no hydrogen 2.950 N/A THR 256.A N THR 252.A O no hydrogen 2.822 N/A MET 257.A N THR 253.A O no hydrogen 2.912 N/A THR 258.A N VAL 254.A O no hydrogen 2.991 N/A THR 258.A OG1 VAL 254.A O no hydrogen 3.327 N/A THR 258.A OG1 LEU 255.A O no hydrogen 2.267 N/A THR 259.A N LEU 255.A O no hydrogen 2.920 N/A THR 259.A OG1 LEU 255.A O no hydrogen 3.400 N/A THR 259.A OG1 THR 256.A O no hydrogen 3.081 N/A LEU 260.A N THR 256.A O no hydrogen 2.928 N/A SER 261.A N MET 257.A O no hydrogen 2.983 N/A SER 261.A OG MET 257.A O no hydrogen 2.741 N/A SER 261.A OG THR 258.A O no hydrogen 2.688 N/A ILE 262.A N THR 258.A O no hydrogen 2.974 N/A SER 263.A N THR 259.A O no hydrogen 2.867 N/A SER 263.A OG THR 259.A O no hydrogen 3.069 N/A ALA 264.A N LEU 260.A O no hydrogen 2.848 N/A ARG 265.A N SER 261.A O no hydrogen 2.986 N/A SER 267.A OG ALA 264.A O no hydrogen 3.120 N/A TRP 279.A N THR 275.A O no hydrogen 3.306 N/A PHE 280.A N ALA 276.A O no hydrogen 3.017 N/A ILE 281.A N MET 277.A O no hydrogen 2.931 N/A ALA 282.A N ASP 278.A O no hydrogen 2.879 N/A VAL 283.A N TRP 279.A O no hydrogen 2.971 N/A CYS 284.A N PHE 280.A O no hydrogen 3.008 N/A TYR 285.A N ILE 281.A O no hydrogen 2.849 N/A ALA 286.A N ALA 282.A O no hydrogen 2.921 N/A PHE 287.A N VAL 283.A O no hydrogen 2.933 N/A VAL 288.A N CYS 284.A O no hydrogen 2.945 N/A PHE 289.A N TYR 285.A O no hydrogen 2.969 N/A SER 290.A N ALA 286.A O no hydrogen 2.872 N/A SER 290.A OG PHE 287.A O no hydrogen 2.693 N/A ALA 291.A N PHE 287.A O no hydrogen 2.947 N/A LEU 292.A N VAL 288.A O no hydrogen 2.973 N/A ILE 293.A N PHE 289.A O no hydrogen 2.918 N/A GLU 294.A N SER 290.A O no hydrogen 2.886 N/A PHE 295.A N ALA 291.A O no hydrogen 2.925 N/A ALA 296.A N LEU 292.A O no hydrogen 2.946 N/A THR 297.A N ILE 293.A O no hydrogen 2.883 N/A THR 297.A OG1 ILE 293.A O no hydrogen 3.002 N/A VAL 298.A N GLU 294.A O no hydrogen 2.957 N/A ASN 299.A N PHE 295.A O no hydrogen 2.914 N/A TYR 300.A N ALA 296.A O no hydrogen 2.929 N/A PHE 301.A N THR 297.A O no hydrogen 2.910 N/A THR 302.A OG1 VAL 298.A O no hydrogen 3.557 N/A THR 302.A OG1 ASN 299.A O no hydrogen 2.831 N/A SER 304.A OG PHE 301.A O no hydrogen 3.331 N/A GLN 305.A N PHE 301.A O no hydrogen 3.378 N/A LYS 311.A N ALA 307.A O no hydrogen 2.972 N/A ILE 312.A N ARG 308.A O no hydrogen 2.889 N/A ASP 313.A N ALA 309.A O no hydrogen 2.899 N/A ARG 314.A N ALA 310.A O no hydrogen 2.940 N/A LEU 315.A N LYS 311.A O no hydrogen 2.946 N/A SER 316.A N ILE 312.A O no hydrogen 2.854 N/A SER 316.A OG GLU 294.A OE1 no hydrogen 3.299 N/A SER 316.A OG ASP 313.A O no hydrogen 3.169 N/A ARG 317.A N ASP 313.A O no hydrogen 2.940 N/A ARG 317.A NH2 PHE 236.A O no hydrogen 3.424 N/A ILE 318.A N LEU 315.A O no hydrogen 3.347 N/A ALA 319.A N LEU 315.A O no hydrogen 2.915 N/A PHE 320.A N SER 316.A O no hydrogen 2.952 N/A LEU 323.A N ALA 319.A O no hydrogen 3.448 N/A PHE 324.A N PHE 320.A O no hydrogen 3.052 N/A GLY 325.A N PRO 321.A O no hydrogen 2.863 N/A ILE 326.A N LEU 322.A O no hydrogen 2.912 N/A PHE 327.A N LEU 323.A O no hydrogen 2.930 N/A ASN 328.A N PHE 324.A O no hydrogen 2.985 N/A ASN 328.A ND2 PHE 324.A O no hydrogen 3.328 N/A LEU 329.A N GLY 325.A O no hydrogen 2.917 N/A VAL 330.A N ILE 326.A O no hydrogen 2.934 N/A TYR 331.A N PHE 327.A O no hydrogen 2.956 N/A TYR 331.A OH TYR 222.A OH no hydrogen 2.880 N/A TYR 331.A OH ALA 276.A O no hydrogen 2.773 N/A TRP 332.A N ASN 328.A O no hydrogen 2.945 N/A TRP 332.A NE1 ASN 328.A OD1 no hydrogen 2.982 N/A ALA 333.A N LEU 329.A O no hydrogen 2.964 N/A THR 334.A N VAL 330.A O no hydrogen 2.897 N/A TYR 335.A N TYR 331.A O no hydrogen 3.030 N/A ARG 338.A NH1 ASP 136.A OD1 no hydrogen 3.238 N/A