Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3brk_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N GLU 127.A OE2 no hydrogen 2.955 N/A ALA 4.A N GLU 127.A OE1 no hydrogen 2.947 N/A ARG 5.A N PRO 2.A O no hydrogen 3.437 N/A ASP 6.A N LEU 3.A O no hydrogen 3.099 N/A ALA 7.A N ALA 4.A O no hydrogen 3.215 N/A TYR 9.A N VAL 115.A O no hydrogen 2.784 N/A TYR 9.A OH ALA 99.A O no hydrogen 2.738 N/A VAL 10.A N GLY 56.A O no hydrogen 2.689 N/A LEU 11.A N LEU 117.A O no hydrogen 2.852 N/A ALA 12.A N ALA 58.A O no hydrogen 2.907 N/A LEU 19.A N GLY 16.A O no hydrogen 3.069 N/A LYS 20.A N SER 17.A O no hydrogen 3.106 N/A GLU 21.A N GLU 21.A OE1 no hydrogen 2.998 N/A LEU 22.A N LEU 19.A O no hydrogen 3.140 N/A THR 23.A N LYS 20.A O no hydrogen 3.047 N/A THR 23.A OG1 GLY 16.A O no hydrogen 2.606 N/A THR 23.A OG1 LYS 20.A O no hydrogen 3.115 N/A ASP 24.A N GLU 21.A O no hydrogen 3.441 N/A ARG 26.A NH1 LEU 22.A O no hydrogen 2.854 N/A ARG 26.A NH1 ASP 347.A OD1 no hydrogen 2.917 N/A ARG 26.A NH2 ASP 347.A OD1 no hydrogen 3.446 N/A LYS 28.A N GLY 14.A O no hydrogen 3.068 N/A LYS 28.A NZ ASP 120.A O no hydrogen 3.136 N/A LYS 28.A NZ ASP 120.A OD2 no hydrogen 2.733 N/A LYS 28.A NZ ASP 238.A O no hydrogen 2.658 N/A LYS 28.A NZ ASP 238.A OD1 no hydrogen 2.803 N/A ALA 30.A N ALA 27.A O no hydrogen 2.971 N/A VAL 31.A N LYS 28.A O no hydrogen 2.899 N/A PHE 33.A N ALA 37.A O no hydrogen 2.827 N/A GLY 34.A N ASN 249.A OD1 no hydrogen 2.877 N/A LYS 36.A N PHE 33.A O no hydrogen 3.260 N/A LYS 36.A NZ ILE 261.A O no hydrogen 3.102 N/A ALA 37.A N PHE 33.A O no hydrogen 3.205 N/A ARG 38.A N ASP 41.A OD2 no hydrogen 2.836 N/A ARG 38.A NE HIS 69.A ND1 no hydrogen 3.191 N/A ARG 38.A NH1 ALA 30.A O no hydrogen 2.826 N/A ILE 39.A N VAL 31.A O no hydrogen 2.956 N/A ILE 40.A N PRO 29.A O no hydrogen 2.910 N/A ASP 41.A N ARG 38.A O no hydrogen 2.971 N/A PHE 42.A N ILE 39.A O no hydrogen 3.168 N/A LEU 44.A N ILE 40.A O no hydrogen 3.287 N/A SER 45.A N ASP 41.A O no hydrogen 2.893 N/A SER 45.A OG ASP 41.A O no hydrogen 2.653 N/A ASN 46.A N PHE 42.A O no hydrogen 2.927 N/A ASN 46.A ND2 TYR 123.A O no hydrogen 2.789 N/A ASN 46.A ND2 TYR 126.A OH no hydrogen 3.537 N/A ALA 47.A N ALA 43.A O no hydrogen 3.079 N/A LEU 48.A N LEU 44.A O no hydrogen 3.087 N/A ASN 49.A N SER 45.A O no hydrogen 2.763 N/A SER 50.A N ASN 46.A O no hydrogen 2.868 N/A SER 50.A N ALA 47.A O no hydrogen 3.084 N/A SER 50.A OG ASN 46.A O no hydrogen 2.615 N/A GLY 51.A N LEU 48.A O no hydrogen 2.978 N/A ILE 52.A N ALA 47.A O no hydrogen 2.924 N/A ARG 54.A NH1 SER 84.A OG no hydrogen 3.155 N/A ILE 55.A N SER 84.A O no hydrogen 2.833 N/A GLY 56.A N ALA 8.A O no hydrogen 2.839 N/A VAL 57.A N ASP 86.A O no hydrogen 2.921 N/A ALA 58.A N VAL 10.A O no hydrogen 2.787 N/A THR 59.A N LEU 88.A O no hydrogen 3.323 N/A GLN 60.A NE2 TRP 92.A O no hydrogen 2.952 N/A ILE 67.A N ALA 63.A O no hydrogen 2.848 N/A ARG 68.A N HIS 64.A O no hydrogen 3.037 N/A HIS 69.A N SER 65.A O no hydrogen 2.980 N/A HIS 69.A NE2 ASP 41.A OD1 no hydrogen 2.785 N/A LEU 70.A N LEU 66.A O no hydrogen 2.946 N/A GLN 71.A N ILE 67.A O no hydrogen 2.859 N/A ARG 72.A N ARG 68.A O no hydrogen 2.955 N/A GLY 73.A N HIS 69.A O no hydrogen 2.833 N/A TRP 74.A N LEU 70.A O no hydrogen 2.920 N/A TRP 74.A NE1 ASP 41.A OD1 no hydrogen 2.998 N/A ARG 78.A N GLU 83.A OE2 no hydrogen 2.950 N/A ARG 78.A NE GLU 80.A OE1 no hydrogen 3.080 N/A ARG 78.A NH2 GLU 80.A OE1 no hydrogen 3.397 N/A ARG 78.A NH2 GLU 80.A OE2 no hydrogen 2.724 N/A GLU 80.A N GLU 80.A OE1 no hydrogen 2.802 N/A ARG 81.A N ARG 78.A O no hydrogen 2.980 N/A ARG 81.A NE GLU 83.A OE1 no hydrogen 3.462 N/A ARG 81.A NE GLU 83.A OE2 no hydrogen 3.295 N/A ARG 81.A NH2 GLU 83.A OE2 no hydrogen 3.366 N/A ASN 82.A N PRO 79.A O no hydrogen 3.003 N/A GLU 83.A N ARG 78.A O no hydrogen 3.342 N/A SER 84.A N ARG 53.A O no hydrogen 3.033 N/A ASP 86.A N ILE 55.A O no hydrogen 2.924 N/A LEU 88.A N VAL 57.A O no hydrogen 2.941 N/A SER 91.A OG TYR 93.A O no hydrogen 3.500 N/A ALA 99.A N GLY 95.A O no hydrogen 3.168 N/A ALA 99.A N THR 96.A O no hydrogen 3.153 N/A VAL 100.A N ALA 97.A O no hydrogen 3.218 N/A TYR 101.A N ALA 97.A O no hydrogen 3.010 N/A GLN 102.A N ASP 98.A O no hydrogen 2.952 N/A GLN 102.A NE2 ASP 98.A OD2 no hydrogen 3.075 N/A ASN 103.A N VAL 100.A O no hydrogen 3.229 N/A ASN 103.A ND2 ALA 90.A O no hydrogen 2.904 N/A ASN 103.A ND2 ALA 99.A O no hydrogen 2.979 N/A ILE 104.A N TYR 101.A O no hydrogen 3.119 N/A ILE 106.A N ASN 103.A O no hydrogen 2.976 N/A ILE 107.A N ASN 103.A O no hydrogen 3.154 N/A GLU 108.A N ILE 104.A O no hydrogen 3.032 N/A TYR 110.A N ILE 107.A O no hydrogen 3.023 N/A TYR 110.A OH ASP 86.A OD1 no hydrogen 3.324 N/A TYR 110.A OH ASP 86.A OD2 no hydrogen 2.638 N/A ALA 111.A N ILE 107.A O no hydrogen 3.144 N/A TYR 114.A N ASP 6.A O no hydrogen 3.094 N/A ILE 116.A N TYR 189.A O no hydrogen 2.832 N/A LEU 117.A N TYR 9.A O no hydrogen 2.916 N/A GLY 119.A N LEU 11.A O no hydrogen 2.887 N/A ILE 122.A N ARG 237.A O no hydrogen 2.813 N/A TYR 123.A OH TYR 126.A OH no hydrogen 2.695 N/A LYS 124.A NZ GLU 231.A OE1 no hydrogen 3.171 N/A LYS 124.A NZ GLU 231.A OE2 no hydrogen 2.621 N/A ASP 125.A N SER 224.A O no hydrogen 3.112 N/A TYR 126.A N SER 50.A OG no hydrogen 2.963 N/A TYR 126.A OH TYR 123.A OH no hydrogen 2.695 N/A GLU 127.A N ASP 125.A OD1 no hydrogen 3.280 N/A TYR 128.A N ASP 125.A O no hydrogen 3.356 N/A GLN 130.A N GLU 127.A O no hydrogen 3.056 N/A GLN 131.A N TYR 128.A O no hydrogen 2.993 N/A GLN 131.A NE2 ALA 218.A O no hydrogen 3.195 N/A HIS 132.A ND1 THR 140.A OG1 no hydrogen 2.684 N/A VAL 133.A N LEU 129.A O no hydrogen 3.159 N/A ASP 134.A N GLN 130.A O no hydrogen 3.087 N/A SER 135.A N GLN 131.A O no hydrogen 2.979 N/A SER 135.A OG GLN 131.A O no hydrogen 3.005 N/A SER 135.A OG HIS 132.A O no hydrogen 3.407 N/A GLY 136.A N VAL 133.A O no hydrogen 3.090 N/A ALA 137.A N SER 135.A OG no hydrogen 3.066 N/A ASP 138.A N LYS 215.A O no hydrogen 3.012 N/A VAL 139.A N LYS 215.A O no hydrogen 3.500 N/A THR 140.A N VAL 190.A O no hydrogen 3.099 N/A THR 140.A OG1 HIS 132.A ND1 no hydrogen 2.684 N/A ILE 141.A N VAL 217.A O no hydrogen 2.976 N/A GLY 142.A N ILE 188.A O no hydrogen 2.810 N/A CYS 143.A N HIS 219.A O no hydrogen 2.744 N/A CYS 143.A SG ILE 141.A O no hydrogen 3.453 N/A CYS 143.A SG ALA 185.A O no hydrogen 3.636 N/A LEU 144.A N ALA 185.A O no hydrogen 3.005 N/A VAL 146.A N ALA 183.A O no hydrogen 2.998 N/A ARG 148.A N GLY 181.A O no hydrogen 2.965 N/A ALA 150.A N PRO 147.A O no hydrogen 3.199 N/A ALA 150.A N ARG 148.A O no hydrogen 3.207 N/A THR 151.A OG1 PRO 170.A O no hydrogen 3.469 N/A VAL 155.A N ILE 167.A O no hydrogen 2.942 N/A ASN 158.A N GLU 162.A O no hydrogen 2.948 N/A ASP 161.A N ASN 158.A O no hydrogen 3.416 N/A ILE 163.A N ALA 216.A O no hydrogen 2.841 N/A ILE 164.A N HIS 156.A O no hydrogen 2.912 N/A ILE 167.A N VAL 155.A O no hydrogen 3.153 N/A LYS 169.A N PHE 153.A O no hydrogen 3.185 N/A ILE 176.A N PHE 182.A O no hydrogen 2.954 N/A ASN 179.A N ILE 176.A O no hydrogen 2.900 N/A PHE 182.A N ASN 179.A O no hydrogen 3.287 N/A ALA 183.A N VAL 146.A O no hydrogen 2.710 N/A ALA 185.A N LEU 144.A O no hydrogen 2.926 N/A SER 186.A N GLY 154.A O no hydrogen 2.736 N/A TYR 189.A N ILE 116.A O no hydrogen 3.060 N/A VAL 190.A N THR 140.A O no hydrogen 2.987 N/A THR 193.A N GLU 113.A O no hydrogen 3.371 N/A THR 193.A OG1 PRO 112.A O no hydrogen 2.814 N/A LEU 196.A N HIS 192.A O no hydrogen 3.170 N/A ALA 198.A N PHE 195.A O no hydrogen 2.754 N/A VAL 199.A N LEU 196.A O no hydrogen 2.696 N/A GLU 212.A N PRO 208.A O no hydrogen 3.460 N/A HIS 213.A N TYR 209.A O no hydrogen 2.853 N/A LYS 215.A NZ GLU 162.A OE2 no hydrogen 3.458 N/A VAL 217.A N VAL 139.A O no hydrogen 3.073 N/A ALA 218.A N ASP 161.A O no hydrogen 3.126 N/A HIS 219.A N ILE 141.A O no hydrogen 2.926 N/A ARG 220.A NH2 ASP 161.A OD2 no hydrogen 3.295 N/A PHE 221.A N CYS 143.A O no hydrogen 2.809 N/A ASP 223.A N ARG 220.A O no hydrogen 2.912 N/A SER 224.A N PHE 221.A O no hydrogen 3.099 N/A CYS 225.A N PHE 221.A O no hydrogen 2.754 N/A VAL 226.A N LYS 124.A O no hydrogen 3.014 N/A ARG 227.A NH1 GLU 231.A O no hydrogen 3.071 N/A SER 228.A N GLU 231.A OE1 no hydrogen 3.088 N/A SER 228.A OG ASP 260.A OD2 no hydrogen 2.882 N/A PHE 230.A N SER 228.A OG no hydrogen 2.973 N/A GLU 231.A N SER 228.A O no hydrogen 3.238 N/A ARG 237.A N ILE 122.A O no hydrogen 2.868 N/A ARG 237.A NH1 TRP 236.A O no hydrogen 3.179 N/A ALA 244.A N THR 241.A OG1 no hydrogen 3.289 N/A TYR 245.A N THR 241.A O no hydrogen 2.786 N/A TYR 245.A OH TYR 32.A O no hydrogen 2.499 N/A TRP 246.A N ILE 242.A O no hydrogen 2.886 N/A TRP 246.A NE1 ASN 326.A O no hydrogen 3.002 N/A GLN 247.A N ASP 243.A O no hydrogen 2.901 N/A GLN 247.A NE2 ASP 251.A OD1 no hydrogen 2.998 N/A ALA 248.A N ALA 244.A O no hydrogen 3.031 N/A ASN 249.A N TYR 245.A O no hydrogen 3.240 N/A ASN 249.A ND2 TYR 245.A O no hydrogen 2.852 N/A ILE 250.A N TRP 246.A O no hydrogen 2.884 N/A ASP 251.A N GLN 247.A O no hydrogen 2.867 N/A LEU 252.A N ASN 249.A O no hydrogen 3.128 N/A THR 253.A N ILE 250.A O no hydrogen 2.871 N/A THR 253.A OG1 ILE 250.A O no hydrogen 2.433 N/A ASP 254.A N ASP 251.A O no hydrogen 3.009 N/A ASP 260.A N GLU 231.A OE2 no hydrogen 2.999 N/A TYR 262.A N ASP 260.A OD1 no hydrogen 3.032 N/A ASP 263.A N ASP 260.A O no hydrogen 3.495 N/A SER 265.A N ASP 263.A OD1 no hydrogen 3.047 N/A SER 265.A OG ASP 263.A OD1 no hydrogen 2.761 N/A SER 265.A OG ASP 263.A OD2 no hydrogen 3.457 N/A TRP 266.A N ASP 263.A OD2 no hydrogen 2.881 N/A TRP 266.A NE1 ASN 46.A OD1 no hydrogen 2.956 N/A TRP 269.A N SER 45.A OG no hydrogen 2.913 N/A TRP 269.A NE1 GLY 73.A O no hydrogen 2.884 N/A THR 270.A OG1 ASP 41.A OD2 no hydrogen 2.644 N/A TYR 271.A OH GLU 273.A OE2 no hydrogen 2.519 N/A THR 275.A OG1 GLU 273.A O no hydrogen 2.757 N/A LYS 279.A N CYS 300.A O no hydrogen 2.837 N/A VAL 281.A N ILE 302.A O no hydrogen 3.055 N/A ASP 284.A N ARG 287.A O no hydrogen 2.741 N/A ARG 287.A NE ASP 284.A OD2 no hydrogen 3.222 N/A ARG 287.A NH1 SER 320.A OG no hydrogen 3.005 N/A ARG 288.A NE ASP 283.A OD1 no hydrogen 3.481 N/A GLY 289.A N HIS 282.A O no hydrogen 2.980 N/A SER 290.A N ALA 305.A O no hydrogen 3.171 N/A VAL 292.A N LEU 307.A O no hydrogen 2.942 N/A SER 294.A OG VAL 292.A O no hydrogen 2.562 N/A VAL 295.A N SER 310.A O no hydrogen 2.962 N/A SER 297.A N LEU 312.A O no hydrogen 3.062 N/A SER 297.A OG LEU 312.A O no hydrogen 2.628 N/A ASP 299.A N PRO 276.A O no hydrogen 2.830 N/A CYS 300.A SG SER 297.A O no hydrogen 3.451 N/A CYS 300.A SG GLY 298.A O no hydrogen 3.737 N/A CYS 300.A SG PHE 313.A O no hydrogen 3.082 N/A ILE 301.A N VAL 316.A O no hydrogen 2.894 N/A ILE 302.A N LYS 279.A O no hydrogen 2.756 N/A SER 303.A N ALA 318.A O no hydrogen 2.813 N/A GLY 304.A N VAL 281.A O no hydrogen 2.882 N/A ALA 306.A N SER 322.A O no hydrogen 3.015 N/A LEU 307.A N SER 290.A O no hydrogen 3.071 N/A ASN 308.A N LEU 324.A O no hydrogen 2.905 N/A ARG 309.A N VAL 292.A O no hydrogen 3.051 N/A SER 310.A N SER 294.A OG no hydrogen 3.245 N/A SER 310.A OG ASN 308.A O no hydrogen 2.826 N/A LEU 311.A N ALA 327.A O no hydrogen 2.817 N/A LEU 312.A N VAL 295.A O no hydrogen 2.815 N/A PHE 313.A N VAL 329.A O no hydrogen 2.890 N/A GLY 315.A N GLY 298.A O no hydrogen 3.392 N/A ARG 317.A N VAL 333.A O no hydrogen 2.974 N/A ARG 317.A NH1 ASP 299.A O no hydrogen 2.724 N/A ARG 317.A NH1 ASP 299.A OD1 no hydrogen 3.518 N/A ARG 317.A NH1 VAL 316.A O no hydrogen 3.361 N/A ARG 317.A NH2 ASP 299.A OD1 no hydrogen 3.007 N/A ALA 318.A N ILE 301.A O no hydrogen 3.068 N/A ASN 319.A N ILE 335.A O no hydrogen 3.052 N/A SER 320.A OG SER 303.A O no hydrogen 3.250 N/A TYR 321.A N GLY 304.A O no hydrogen 2.898 N/A SER 322.A N ASN 319.A O no hydrogen 3.125 N/A SER 322.A OG ASN 319.A O no hydrogen 2.743 N/A ARG 323.A N ALA 339.A O no hydrogen 2.812 N/A LEU 324.A N ALA 306.A O no hydrogen 2.888 N/A GLU 325.A N LEU 341.A O no hydrogen 3.018 N/A ASN 326.A N ASN 308.A O no hydrogen 3.231 N/A ASN 326.A ND2 ASN 343.A OD1 no hydrogen 2.713 N/A ALA 327.A N SER 310.A OG no hydrogen 3.256 N/A VAL 328.A N VAL 344.A O no hydrogen 2.913 N/A VAL 329.A N LEU 311.A O no hydrogen 2.798 N/A LEU 330.A N ILE 346.A O no hydrogen 3.078 N/A SER 332.A N THR 314.A O no hydrogen 2.909 N/A LYS 334.A N VAL 350.A O no hydrogen 3.040 N/A ILE 335.A N ARG 317.A O no hydrogen 2.783 N/A GLY 336.A N ILE 352.A O no hydrogen 3.076 N/A HIS 338.A N SER 320.A O no hydrogen 3.171 N/A ALA 339.A N GLY 336.A O no hydrogen 3.162 N/A GLN 340.A N LEU 356.A O no hydrogen 2.914 N/A LEU 341.A N ARG 323.A O no hydrogen 2.956 N/A SER 342.A N VAL 358.A O no hydrogen 3.112 N/A ASN 343.A N GLU 325.A O no hydrogen 3.161 N/A VAL 344.A N ASN 326.A O no hydrogen 3.291 N/A VAL 345.A N CYS 377.A O no hydrogen 2.893 N/A ILE 346.A N VAL 328.A O no hydrogen 2.864 N/A ASP 347.A N ILE 379.A O no hydrogen 3.030 N/A GLY 349.A N PRO 331.A O no hydrogen 2.965 N/A VAL 350.A N ASP 347.A O no hydrogen 3.416 N/A VAL 351.A N GLN 381.A OE1 no hydrogen 3.023 N/A ILE 352.A N LYS 334.A O no hydrogen 2.878 N/A GLY 355.A N ARG 337.A O no hydrogen 2.981 N/A LEU 356.A N PRO 353.A O no hydrogen 3.201 N/A VAL 358.A N GLN 340.A O no hydrogen 3.069 N/A GLY 359.A N ASP 365.A OD2 no hydrogen 2.979 N/A GLU 363.A N ASP 361.A OD1 no hydrogen 3.339 N/A ASP 365.A N ASP 361.A O no hydrogen 2.984 N/A ALA 366.A N PRO 362.A O no hydrogen 3.197 N/A LYS 367.A N GLU 363.A O no hydrogen 3.215 N/A LYS 367.A N LEU 364.A O no hydrogen 3.283 N/A ARG 368.A N LEU 364.A O no hydrogen 3.079 N/A PHE 369.A N ASP 365.A O no hydrogen 2.943 N/A ARG 370.A NH1 GLU 21.A OE2 no hydrogen 3.214 N/A THR 372.A N ILE 376.A O no hydrogen 3.081 N/A THR 372.A OG1 ASP 243.A OD1 no hydrogen 3.002 N/A GLY 375.A N THR 372.A O no hydrogen 3.157 N/A ILE 376.A N THR 372.A OG1 no hydrogen 3.205 N/A CYS 377.A N ASN 343.A O no hydrogen 2.914 N/A LEU 378.A N ARG 370.A O no hydrogen 2.886 N/A ILE 379.A N VAL 345.A O no hydrogen 2.892 N/A THR 380.A OG1 SER 382.A OG no hydrogen 3.073 N/A GLN 381.A NE2 ASP 384.A OD1 no hydrogen 2.828 N/A SER 382.A OG THR 380.A OG1 no hydrogen 3.073 N/A ASP 384.A N GLN 381.A O no hydrogen 2.910 N/A