Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kk2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N SER 1.A OG no hydrogen 3.273 N/A GLN 3.A NE2 ALA 4.A O no hydrogen 3.058 N/A GLN 3.A NE2 TYR 274.A O no hydrogen 2.770 N/A GLU 5.A N ARG 77.A O no hydrogen 2.920 N/A ASN 7.A N ASP 101.A OD2 no hydrogen 2.804 N/A ASN 7.A ND2 LEU 99.A O no hydrogen 2.867 N/A ILE 8.A N SER 79.A O no hydrogen 2.718 N/A GLY 9.A N GLY 102.A O no hydrogen 2.962 N/A MET 10.A N ILE 81.A O no hydrogen 2.952 N/A VAL 11.A N ILE 104.A O no hydrogen 2.967 N/A GLY 12.A N HIS 121.A ND1 no hydrogen 2.706 N/A HIS 13.A ND1 VAL 14.A O no hydrogen 2.840 N/A VAL 14.A N GLN 117.A OE1 no hydrogen 2.788 N/A HIS 16.A N HIS 13.A O no hydrogen 3.163 N/A LYS 18.A NZ GLY 12.A O no hydrogen 3.000 N/A LYS 18.A NZ HIS 13.A O no hydrogen 3.356 N/A THR 19.A OG1 ASP 82.A OD2 no hydrogen 2.808 N/A LEU 21.A N GLY 17.A O no hydrogen 2.825 N/A THR 22.A N LYS 18.A O no hydrogen 2.977 N/A THR 22.A OG1 LYS 18.A O no hydrogen 2.803 N/A LYS 23.A N THR 19.A O no hydrogen 3.079 N/A ALA 24.A N THR 20.A O no hydrogen 3.024 N/A LEU 25.A N LEU 21.A O no hydrogen 2.979 N/A THR 26.A N THR 22.A O no hydrogen 2.828 N/A THR 26.A OG1 THR 22.A O no hydrogen 2.969 N/A THR 26.A OG1 LYS 23.A O no hydrogen 3.459 N/A ARG 36.A N GLU 33.A O no hydrogen 3.130 N/A GLY 38.A N ILE 43.A O no hydrogen 2.792 N/A THR 40.A OG1 THR 345.A O no hydrogen 2.483 N/A ILE 43.A N ILE 41.A O no hydrogen 2.671 N/A ALA 46.A N PHE 80.A O no hydrogen 2.981 N/A ALA 48.A N VAL 78.A O no hydrogen 2.970 N/A ILE 50.A N ARG 76.A O no hydrogen 2.701 N/A ARG 51.A N SER 60.A O no hydrogen 2.903 N/A ARG 51.A NE THR 72.A OG1 no hydrogen 2.925 N/A ARG 51.A NH1 GLU 49.A OE1 no hydrogen 3.172 N/A ARG 51.A NH2 THR 72.A O no hydrogen 2.914 N/A ARG 52.A N GLU 73.A O no hydrogen 2.948 N/A CYS 53.A N ARG 58.A O no hydrogen 3.034 N/A GLY 57.A N CYS 53.A O no hydrogen 2.695 N/A ARG 58.A NE ASP 181.A OD2 no hydrogen 3.009 N/A ARG 58.A NH2 ASP 181.A OD2 no hydrogen 3.241 N/A SER 60.A N ARG 51.A O no hydrogen 3.023 N/A THR 61.A OG1 LEU 25.A O no hydrogen 2.707 N/A CYS 65.A N HIS 70.A O no hydrogen 2.646 N/A GLY 69.A N CYS 65.A O no hydrogen 2.862 N/A THR 72.A N PRO 63.A O no hydrogen 2.872 N/A THR 72.A OG1 SER 62.A O no hydrogen 2.566 N/A GLU 73.A N ARG 52.A O no hydrogen 2.866 N/A VAL 75.A N ILE 50.A O no hydrogen 2.933 N/A ARG 76.A N ILE 50.A O no hydrogen 3.210 N/A ARG 76.A NE GLU 188.A OE2 no hydrogen 2.800 N/A ARG 76.A NH1 ILE 191.A O no hydrogen 3.002 N/A ARG 76.A NH1 THR 193.A OG1 no hydrogen 2.898 N/A ARG 76.A NH2 ILE 187.A O no hydrogen 3.388 N/A ARG 76.A NH2 GLU 188.A OE2 no hydrogen 2.739 N/A ARG 76.A NH2 ILE 191.A O no hydrogen 3.040 N/A ARG 77.A NE ASP 47.A OD2 no hydrogen 3.050 N/A VAL 78.A N ALA 48.A O no hydrogen 2.933 N/A SER 79.A N VAL 6.A O no hydrogen 2.992 N/A SER 79.A OG ASP 47.A OD1 no hydrogen 2.748 N/A PHE 80.A N ALA 46.A O no hydrogen 2.848 N/A ILE 81.A N ILE 8.A O no hydrogen 2.817 N/A HIS 86.A ND1 HIS 121.A NE2 no hydrogen 2.967 N/A HIS 86.A NE2 GLU 120.A OE1 no hydrogen 2.248 N/A LEU 89.A N GLY 85.A O no hydrogen 3.133 N/A MET 90.A N HIS 86.A O no hydrogen 2.984 N/A THR 91.A N GLU 87.A O no hydrogen 2.915 N/A THR 91.A OG1 GLU 87.A O no hydrogen 2.669 N/A THR 92.A N ALA 88.A O no hydrogen 2.990 N/A THR 92.A OG1 ALA 88.A O no hydrogen 2.523 N/A MET 93.A N LEU 89.A O no hydrogen 3.107 N/A LEU 94.A N MET 90.A O no hydrogen 3.127 N/A ALA 95.A N THR 91.A O no hydrogen 2.842 N/A GLY 96.A N THR 92.A O no hydrogen 2.845 N/A LEU 99.A N GLY 96.A O no hydrogen 2.990 N/A MET 100.A N ALA 97.A O no hydrogen 3.013 N/A ASP 101.A N ASN 7.A O no hydrogen 2.861 N/A ALA 103.A N ASN 132.A O no hydrogen 2.889 N/A ILE 104.A N GLY 9.A O no hydrogen 2.822 N/A LEU 105.A N ILE 134.A O no hydrogen 2.786 N/A VAL 106.A N VAL 11.A O no hydrogen 2.766 N/A ILE 107.A N ALA 136.A O no hydrogen 2.886 N/A ALA 108.A N HIS 16.A ND1 no hydrogen 3.085 N/A ALA 109.A N ASN 138.A O no hydrogen 2.837 N/A GLU 111.A N ALA 108.A O no hydrogen 3.161 N/A ARG 115.A NH1 GLU 111.A OE1 no hydrogen 3.308 N/A ARG 119.A N ARG 115.A O no hydrogen 3.008 N/A GLU 120.A N PRO 116.A O no hydrogen 2.948 N/A HIS 121.A N GLN 117.A O no hydrogen 2.872 N/A LEU 122.A N THR 118.A O no hydrogen 3.146 N/A MET 123.A N ARG 119.A O no hydrogen 3.128 N/A ALA 124.A N GLU 120.A O no hydrogen 2.936 N/A LEU 125.A N HIS 121.A O no hydrogen 2.940 N/A GLN 126.A N LEU 122.A O no hydrogen 2.731 N/A ILE 127.A N MET 123.A O no hydrogen 2.850 N/A ILE 128.A N ALA 124.A O no hydrogen 2.973 N/A GLY 129.A N GLN 126.A O no hydrogen 3.182 N/A GLN 130.A N LEU 125.A O no hydrogen 3.050 N/A ASN 132.A N GLN 130.A OE1 no hydrogen 2.986 N/A ASN 132.A ND2 ASP 101.A O no hydrogen 3.267 N/A ASN 132.A ND2 GLN 130.A OE1 no hydrogen 3.206 N/A ILE 133.A N LYS 131.A O no hydrogen 2.823 N/A ILE 134.A N ALA 103.A O no hydrogen 2.857 N/A ILE 135.A N PRO 168.A O no hydrogen 2.993 N/A ALA 136.A N LEU 105.A O no hydrogen 2.805 N/A GLN 137.A N ILE 170.A O no hydrogen 2.949 N/A ASN 138.A N ILE 107.A O no hydrogen 2.846 N/A ASN 138.A ND2 HIS 16.A O no hydrogen 2.751 N/A LYS 139.A NZ ASP 15.A O no hydrogen 2.697 N/A ILE 140.A N ILE 172.A O no hydrogen 3.130 N/A GLU 141.A N GLU 141.A OE2 no hydrogen 2.648 N/A LEU 142.A N LYS 139.A O no hydrogen 2.955 N/A VAL 143.A N ILE 140.A O no hydrogen 3.486 N/A GLU 146.A N ASP 144.A OD2 no hydrogen 3.098 N/A ALA 148.A N ASP 144.A O no hydrogen 3.024 N/A LEU 149.A N LYS 145.A O no hydrogen 3.003 N/A GLU 150.A N GLU 146.A O no hydrogen 2.934 N/A ASN 151.A N LYS 147.A O no hydrogen 2.742 N/A ASN 151.A ND2 GLN 137.A OE1 no hydrogen 2.799 N/A TYR 152.A N ALA 148.A O no hydrogen 3.031 N/A ARG 153.A N LEU 149.A O no hydrogen 3.026 N/A ARG 153.A NH1 GLU 150.A OE1 no hydrogen 2.969 N/A GLN 154.A N GLU 150.A O no hydrogen 3.093 N/A ILE 155.A N ASN 151.A O no hydrogen 3.032 N/A LYS 156.A N TYR 152.A O no hydrogen 2.990 N/A GLU 157.A N ARG 153.A O no hydrogen 2.943 N/A PHE 158.A N GLN 154.A O no hydrogen 2.761 N/A ILE 159.A N ILE 155.A O no hydrogen 2.847 N/A GLU 160.A N GLU 157.A O no hydrogen 3.383 N/A GLY 161.A N GLU 165.A OE2 no hydrogen 2.567 N/A THR 162.A N ILE 159.A O no hydrogen 3.045 N/A THR 162.A OG1 ILE 159.A O no hydrogen 2.613 N/A VAL 163.A N GLN 126.A OE1 no hydrogen 2.841 N/A ALA 164.A N THR 162.A OG1 no hydrogen 3.115 N/A GLU 165.A N THR 162.A O no hydrogen 3.117 N/A ALA 167.A N ALA 164.A O no hydrogen 2.997 N/A ILE 170.A N ILE 135.A O no hydrogen 2.835 N/A ILE 172.A N GLN 137.A O no hydrogen 2.953 N/A SER 173.A N ALA 178.A O no hydrogen 3.235 N/A SER 173.A OG GLU 141.A OE2 no hydrogen 3.022 N/A ALA 174.A N ASN 138.A OD1 no hydrogen 2.875 N/A HIS 176.A N SER 173.A OG no hydrogen 3.336 N/A GLY 177.A N ALA 174.A O no hydrogen 3.408 N/A ALA 178.A N SER 173.A O no hydrogen 2.953 N/A ASN 179.A ND2 PRO 171.A O no hydrogen 2.678 N/A VAL 184.A N ILE 180.A O no hydrogen 2.897 N/A LYS 185.A N ASP 181.A O no hydrogen 2.987 N/A LYS 185.A NZ ASP 189.A OD2 no hydrogen 2.651 N/A ALA 186.A N VAL 182.A O no hydrogen 2.961 N/A ILE 187.A N LEU 183.A O no hydrogen 2.920 N/A GLU 188.A N VAL 184.A O no hydrogen 3.287 N/A ASP 189.A N LYS 185.A O no hydrogen 3.075 N/A PHE 190.A N ALA 186.A O no hydrogen 2.692 N/A ILE 191.A N ILE 187.A O no hydrogen 2.926 N/A THR 193.A OG1 GLU 5.A OE1 no hydrogen 2.684 N/A ARG 196.A NH1 GLU 5.A O no hydrogen 3.007 N/A ARG 196.A NH2 GLU 5.A O no hydrogen 2.883 N/A ARG 196.A NH2 ASP 101.A OD1 no hydrogen 3.071 N/A ASN 199.A N ASP 197.A OD1 no hydrogen 2.735 N/A LYS 200.A N ASP 197.A O no hydrogen 3.102 N/A LYS 203.A N GLN 228.A O no hydrogen 3.148 N/A MET 204.A N VAL 300.A O no hydrogen 2.769 N/A LEU 205.A N SER 225.A O no hydrogen 2.862 N/A VAL 206.A N ASN 298.A O no hydrogen 2.801 N/A LEU 207.A N ASP 223.A O no hydrogen 2.727 N/A ARG 208.A N ASP 223.A O no hydrogen 2.920 N/A ARG 208.A NE ASP 293.A OD1 no hydrogen 2.610 N/A ARG 208.A NE ASP 293.A OD2 no hydrogen 3.151 N/A ARG 208.A NH1 LEU 35.A O no hydrogen 3.237 N/A ARG 208.A NH1 ARG 37.A O no hydrogen 2.697 N/A SER 209.A N ASP 293.A OD1 no hydrogen 2.969 N/A SER 209.A OG THR 290.A O no hydrogen 2.533 N/A PHE 210.A N VAL 221.A O no hydrogen 2.849 N/A ASN 213.A N ASP 211.A OD1 no hydrogen 3.384 N/A ASN 213.A ND2 ASP 211.A OD1 no hydrogen 3.130 N/A ASN 213.A ND2 VAL 218.A O no hydrogen 2.766 N/A VAL 218.A N ASN 213.A OD1 no hydrogen 2.858 N/A GLY 220.A N LEU 285.A O no hydrogen 2.637 N/A VAL 221.A N PHE 210.A O no hydrogen 3.077 N/A LEU 222.A N VAL 281.A O no hydrogen 2.890 N/A ASP 223.A N ARG 208.A O no hydrogen 2.729 N/A GLY 224.A N VAL 279.A O no hydrogen 3.015 N/A SER 225.A N LEU 205.A O no hydrogen 3.026 N/A VAL 227.A N LYS 203.A O no hydrogen 2.935 N/A GLN 228.A NE2 PRO 201.A O no hydrogen 2.527 N/A LYS 230.A NZ GLU 272.A OE1 no hydrogen 3.344 N/A LEU 231.A N ALA 273.A O no hydrogen 3.053 N/A LYS 232.A N ASP 235.A OD2 no hydrogen 3.074 N/A VAL 233.A N GLU 271.A O no hydrogen 2.989 N/A GLY 234.A N ILE 260.A O no hydrogen 2.780 N/A ASP 235.A N LYS 232.A O no hydrogen 2.870 N/A ILE 237.A N THR 258.A O no hydrogen 2.807 N/A GLU 238.A N GLY 301.A O no hydrogen 2.748 N/A ILE 239.A N ILE 256.A O no hydrogen 2.821 N/A ARG 240.A N VAL 299.A O no hydrogen 3.057 N/A ARG 240.A NE GLU 238.A OE1 no hydrogen 2.611 N/A ARG 240.A NH1 PRO 307.A O no hydrogen 2.813 N/A ARG 240.A NH2 GLU 238.A OE1 no hydrogen 3.196 N/A GLY 242.A N ASN 298.A OD1 no hydrogen 2.984 N/A VAL 243.A N GLU 254.A O no hydrogen 2.918 N/A TYR 245.A N LYS 252.A O no hydrogen 2.809 N/A GLU 247.A N ARG 250.A O no hydrogen 2.792 N/A GLY 249.A N GLU 246.A OE2 no hydrogen 2.800 N/A ARG 250.A N GLU 247.A O no hydrogen 2.974 N/A LYS 252.A N TYR 245.A O no hydrogen 2.862 N/A LYS 252.A NZ GLU 247.A OE1 no hydrogen 3.167 N/A GLU 254.A N VAL 243.A O no hydrogen 2.750 N/A ILE 256.A N ILE 239.A O no hydrogen 3.167 N/A THR 258.A N ILE 237.A O no hydrogen 2.848 N/A GLU 259.A N THR 258.A OG1 no hydrogen 2.579 N/A ILE 260.A N ASP 235.A O no hydrogen 2.854 N/A VAL 261.A N GLY 282.A O no hydrogen 2.720 N/A SER 262.A N GLY 282.A O no hydrogen 3.380 N/A GLN 264.A N GLY 280.A O no hydrogen 2.918 N/A ALA 265.A N GLN 268.A O no hydrogen 3.000 N/A GLN 268.A N ALA 265.A O no hydrogen 3.343 N/A VAL 270.A N LEU 263.A O no hydrogen 2.693 N/A ALA 273.A N LEU 231.A O no hydrogen 2.938 N/A TYR 274.A N GLN 3.A OE1 no hydrogen 2.766 N/A TYR 274.A OH GLU 272.A OE2 no hydrogen 2.789 N/A GLY 277.A N ASN 7.A OD1 no hydrogen 2.700 N/A VAL 279.A N GLY 224.A O no hydrogen 2.886 N/A GLY 280.A N GLN 264.A O no hydrogen 2.801 N/A VAL 281.A N LEU 222.A O no hydrogen 2.716 N/A GLY 282.A N SER 262.A O no hydrogen 3.054 N/A THR 283.A N GLY 220.A O no hydrogen 2.973 N/A THR 283.A OG1 GLY 220.A O no hydrogen 2.905 N/A LYS 284.A N THR 258.A OG1 no hydrogen 3.289 N/A LYS 284.A NZ GLU 259.A OE2 no hydrogen 3.044 N/A LEU 285.A N THR 283.A OG1 no hydrogen 2.935 N/A TYR 288.A N ASP 286.A OD2 no hydrogen 2.977 N/A LEU 289.A N ASP 286.A O no hydrogen 2.590 N/A THR 290.A N PRO 287.A O no hydrogen 3.254 N/A THR 290.A OG1 PHE 210.A O no hydrogen 2.684 N/A THR 290.A OG1 PRO 287.A O no hydrogen 3.507 N/A LYS 291.A N PRO 287.A O no hydrogen 2.968 N/A LYS 291.A NZ ASP 211.A OD2 no hydrogen 3.498 N/A ASP 293.A N SER 209.A O no hydrogen 2.977 N/A MET 295.A N SER 209.A OG no hydrogen 3.048 N/A ALA 296.A N ASP 293.A O no hydrogen 3.027 N/A GLY 297.A N VAL 206.A O no hydrogen 2.715 N/A ASN 298.A N MET 295.A O no hydrogen 3.002 N/A VAL 299.A N ARG 240.A O no hydrogen 2.784 N/A VAL 300.A N MET 204.A O no hydrogen 2.706 N/A GLY 301.A N GLU 238.A O no hydrogen 3.116 N/A LYS 305.A N LYS 302.A O no hydrogen 2.776 N/A TRP 310.A N VAL 368.A O no hydrogen 2.803 N/A TRP 310.A NE1 ALA 370.A O no hydrogen 2.876 N/A LEU 313.A N VAL 362.A O no hydrogen 2.777 N/A ARG 314.A NH1 GLU 359.A OE1 no hydrogen 2.664 N/A LEU 315.A N ILE 360.A O no hydrogen 2.772 N/A GLU 316.A N ILE 393.A O no hydrogen 2.924 N/A VAL 317.A N ASP 358.A O no hydrogen 2.731 N/A HIS 318.A N TYR 391.A O no hydrogen 3.029 N/A HIS 318.A NE2 GLU 316.A OE1 no hydrogen 2.755 N/A LEU 320.A N ILE 389.A O no hydrogen 2.624 N/A ARG 322.A NH2 VAL 324.A O no hydrogen 3.086 N/A VAL 324.A N GLU 120.A OE2 no hydrogen 3.233 N/A LYS 334.A N GLU 337.A OE1 no hydrogen 3.394 N/A LYS 336.A N VAL 352.A O no hydrogen 2.780 N/A GLU 337.A N LYS 334.A O no hydrogen 3.120 N/A LEU 339.A N GLY 350.A O no hydrogen 2.727 N/A LEU 340.A N SER 379.A O no hydrogen 2.945 N/A LEU 341.A N THR 348.A O no hydrogen 2.751 N/A ASN 342.A N ALA 377.A O no hydrogen 3.087 N/A VAL 343.A N ALA 346.A O no hydrogen 3.034 N/A GLY 344.A N ALA 95.A O no hydrogen 2.925 N/A THR 345.A OG1 VAL 206.A O no hydrogen 2.644 N/A ALA 346.A N VAL 343.A O no hydrogen 2.963 N/A THR 348.A N LEU 341.A O no hydrogen 2.966 N/A THR 348.A OG1 MET 349.A O no hydrogen 3.011 N/A THR 348.A OG1 ILE 366.A O no hydrogen 3.462 N/A GLY 350.A N LEU 339.A O no hydrogen 2.632 N/A LEU 351.A N LYS 363.A O no hydrogen 2.922 N/A VAL 352.A N GLU 337.A O no hydrogen 2.935 N/A THR 353.A N GLU 361.A O no hydrogen 2.905 N/A THR 353.A OG1 GLU 361.A O no hydrogen 3.513 N/A GLY 356.A N GLU 359.A O no hydrogen 2.579 N/A GLU 359.A N GLY 356.A O no hydrogen 3.274 N/A ILE 360.A N LEU 315.A O no hydrogen 3.024 N/A GLU 361.A N GLY 354.A O no hydrogen 2.879 N/A VAL 362.A N LEU 313.A O no hydrogen 2.755 N/A LYS 363.A N LEU 351.A O no hydrogen 2.878 N/A LEU 364.A N ASP 311.A O no hydrogen 2.937 N/A GLN 365.A N MET 349.A O no hydrogen 3.069 N/A ILE 366.A N THR 348.A OG1 no hydrogen 2.899 N/A VAL 368.A N TRP 310.A O no hydrogen 3.187 N/A CYS 369.A SG PRO 307.A O no hydrogen 3.413 N/A CYS 369.A SG PRO 308.A O no hydrogen 3.812 N/A ALA 370.A N PRO 308.A O no hydrogen 3.080 N/A GLU 371.A N ASP 374.A OD2 no hydrogen 2.927 N/A GLY 373.A N ILE 394.A O no hydrogen 2.765 N/A ASP 374.A N GLU 371.A O no hydrogen 2.970 N/A ARG 375.A NE LEU 94.A O no hydrogen 3.237 N/A VAL 376.A N GLY 392.A O no hydrogen 2.800 N/A ALA 377.A N ASN 342.A O no hydrogen 2.769 N/A ILE 378.A N GLY 390.A O no hydrogen 2.733 N/A SER 379.A N LEU 340.A O no hydrogen 2.843 N/A ARG 380.A N ARG 387.A O no hydrogen 2.691 N/A ARG 380.A NE GLU 337.A OE2 no hydrogen 2.601 N/A ARG 380.A NH1 GLU 331.A O no hydrogen 2.759 N/A ARG 380.A NH2 GLU 331.A O no hydrogen 2.999 N/A ARG 380.A NH2 GLU 337.A OE1 no hydrogen 3.193 N/A ARG 380.A NH2 GLU 337.A OE2 no hydrogen 3.300 N/A ILE 382.A N ARG 385.A O no hydrogen 2.818 N/A SER 384.A N ILE 382.A O no hydrogen 2.598 N/A ARG 385.A N ILE 382.A O no hydrogen 2.990 N/A ARG 387.A N ARG 380.A O no hydrogen 2.758 N/A LEU 388.A N GLU 87.A OE1 no hydrogen 3.051 N/A ILE 389.A N ILE 378.A O no hydrogen 2.818 N/A GLY 390.A N ILE 378.A O no hydrogen 3.317 N/A TYR 391.A N HIS 318.A O no hydrogen 3.183 N/A GLY 392.A N VAL 376.A O no hydrogen 2.693 N/A ILE 393.A N GLU 316.A O no hydrogen 2.847 N/A ILE 394.A N ASP 374.A O no hydrogen 3.106 N/A LYS 395.A N ARG 314.A O no hydrogen 2.933 N/A LYS 395.A NZ GLU 359.A OE2 no hydrogen 2.618 N/A