Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kkg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N ASN 2.A OD1 no hydrogen 2.989 N/A TYR 5.A N VAL 16.A O no hydrogen 2.803 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.478 N/A SER 6.A OG THR 15.A OG1 no hydrogen 2.559 N/A VAL 7.A N PHE 14.A O no hydrogen 2.847 N/A VAL 9.A N SER 12.A O no hydrogen 2.760 N/A SER 12.A N VAL 9.A O no hydrogen 2.965 N/A THR 13.A OG1 GLU 8.A OE2 no hydrogen 2.392 N/A PHE 14.A N VAL 7.A O no hydrogen 2.850 N/A THR 15.A N TYR 99.A OH no hydrogen 3.211 N/A THR 15.A OG1 SER 6.A OG no hydrogen 2.559 N/A VAL 16.A N TYR 5.A O no hydrogen 2.873 N/A LYS 18.A N GLN 3.A O no hydrogen 2.946 N/A LYS 18.A NZ ASN 2.A O no hydrogen 3.214 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 3.222 N/A ARG 19.A NH2 ASP 39.A OD2 no hydrogen 3.508 N/A TYR 20.A N LEU 17.A O no hydrogen 3.101 N/A GLN 21.A N TYR 38.A O no hydrogen 2.755 N/A LYS 24.A N ALA 36.A O no hydrogen 2.848 N/A ILE 26.A N VAL 34.A O no hydrogen 3.068 N/A VAL 34.A N GLY 27.A O no hydrogen 2.968 N/A CYS 35.A N ILE 48.A O no hydrogen 2.796 N/A ALA 36.A N LYS 24.A O no hydrogen 2.632 N/A ALA 37.A N VAL 46.A O no hydrogen 2.752 N/A TYR 38.A N GLN 21.A O no hydrogen 2.805 N/A TYR 38.A OH ASP 43.A OD1 no hydrogen 2.615 N/A ASP 39.A N ARG 44.A O no hydrogen 2.757 N/A ALA 40.A N ARG 19.A O no hydrogen 2.768 N/A VAL 41.A N ASP 39.A OD1 no hydrogen 2.749 N/A LEU 42.A N ASP 39.A OD1 no hydrogen 3.175 N/A ASP 43.A N ASP 39.A O no hydrogen 2.785 N/A ARG 44.A N ASP 39.A O no hydrogen 3.422 N/A VAL 46.A N ALA 37.A O no hydrogen 2.680 N/A ALA 47.A N MET 102.A O no hydrogen 2.855 N/A ILE 48.A N CYS 35.A O no hydrogen 2.591 N/A LYS 49.A N LEU 100.A O no hydrogen 2.772 N/A LYS 49.A NZ GLU 67.A OE2 no hydrogen 2.728 N/A LYS 50.A N ILE 33.A O no hydrogen 2.925 N/A LYS 50.A NZ THR 13.A O no hydrogen 2.769 N/A LEU 51.A N VAL 98.A O no hydrogen 2.826 N/A ARG 53.A N ASP 97.A OD1 no hydrogen 3.349 N/A GLN 56.A N ARG 53.A O no hydrogen 2.942 N/A ASN 57.A ND2 HIS 60.A ND1 no hydrogen 3.566 N/A GLN 58.A NE2 GLU 337.A OE2 no hydrogen 3.337 N/A HIS 60.A N ASN 57.A OD1 no hydrogen 3.063 N/A ALA 61.A N ASN 57.A O no hydrogen 2.992 N/A LYS 62.A N GLN 58.A O no hydrogen 3.065 N/A LYS 62.A NZ ASP 334.A O no hydrogen 2.752 N/A ARG 63.A N THR 59.A O no hydrogen 2.977 N/A ARG 63.A NH1 ASP 163.A OD1 no hydrogen 2.398 N/A ALA 64.A N HIS 60.A O no hydrogen 2.890 N/A TYR 65.A N ALA 61.A O no hydrogen 2.872 N/A TYR 65.A OH ASP 330.A OD1 no hydrogen 2.548 N/A ARG 66.A N LYS 62.A O no hydrogen 2.969 N/A ARG 66.A NH1 PHE 164.A O no hydrogen 3.230 N/A GLU 67.A N ARG 63.A O no hydrogen 2.965 N/A LEU 68.A N ALA 64.A O no hydrogen 3.180 N/A VAL 69.A N TYR 65.A O no hydrogen 3.133 N/A LEU 70.A N ARG 66.A O no hydrogen 3.129 N/A MET 71.A N GLU 67.A O no hydrogen 3.050 N/A LYS 72.A N LEU 68.A O no hydrogen 3.322 N/A LYS 72.A N VAL 69.A O no hydrogen 3.288 N/A LYS 72.A NZ GLU 350.A O no hydrogen 3.045 N/A LYS 72.A NZ GLU 350.A OE2 no hydrogen 2.804 N/A CYS 73.A N VAL 69.A O no hydrogen 3.207 N/A CYS 73.A SG VAL 69.A O no hydrogen 3.204 N/A CYS 73.A SG LEU 70.A O no hydrogen 4.006 N/A VAL 74.A N LEU 70.A O no hydrogen 3.063 N/A HIS 76.A NE2 GLU 320.A O no hydrogen 3.029 N/A LYS 77.A NZ GLU 320.A OE2 no hydrogen 2.416 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 3.036 N/A ASN 78.A ND2 LEU 159.A O no hydrogen 2.711 N/A ILE 79.A N HIS 76.A O no hydrogen 3.146 N/A ILE 80.A N ILE 161.A O no hydrogen 2.972 N/A LEU 83.A N VAL 101.A O no hydrogen 2.569 N/A ASN 84.A N VAL 101.A O no hydrogen 3.321 N/A ASN 84.A ND2 TYR 20.A OH no hydrogen 3.110 N/A VAL 85.A N ASN 84.A OD1 no hydrogen 2.762 N/A PHE 86.A N TYR 99.A O no hydrogen 3.042 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.748 N/A THR 91.A OG1 GLU 94.A OE1 no hydrogen 2.680 N/A PHE 95.A N THR 91.A O no hydrogen 2.943 N/A GLN 96.A N GLN 89.A OE1 no hydrogen 2.836 N/A ASP 97.A N GLN 89.A OE1 no hydrogen 2.987 N/A VAL 98.A N LEU 51.A O no hydrogen 3.209 N/A TYR 99.A N PHE 86.A O no hydrogen 2.800 N/A LEU 100.A N LYS 49.A O no hydrogen 2.830 N/A VAL 101.A N ASN 84.A O no hydrogen 2.901 N/A MET 102.A N ALA 47.A O no hydrogen 2.890 N/A ASP 106.A N VAL 153.A O no hydrogen 2.863 N/A ALA 107.A N VAL 153.A O no hydrogen 3.096 N/A ASN 108.A N GLN 111.A OE1 no hydrogen 2.957 N/A LEU 109.A N PRO 148.A O no hydrogen 3.081 N/A ILE 113.A N LEU 109.A O no hydrogen 2.672 N/A MET 115.A N VAL 112.A O no hydrogen 2.924 N/A HIS 119.A ND1 TYR 311.A OH no hydrogen 2.953 N/A HIS 119.A NE2 PRO 272.A O no hydrogen 2.949 N/A ARG 121.A N ASP 118.A OD2 no hydrogen 3.103 N/A ARG 121.A NH1 ASP 118.A OD1 no hydrogen 2.737 N/A MET 122.A N ASP 118.A O no hydrogen 3.253 N/A SER 123.A N HIS 119.A O no hydrogen 2.833 N/A SER 123.A OG HIS 119.A O no hydrogen 2.802 N/A SER 123.A OG GLU 120.A O no hydrogen 3.023 N/A TYR 124.A N GLU 120.A O no hydrogen 3.168 N/A LEU 125.A N ARG 121.A O no hydrogen 2.806 N/A LEU 126.A N MET 122.A O no hydrogen 3.050 N/A TYR 127.A N SER 123.A O no hydrogen 2.801 N/A TYR 127.A OH GLU 320.A OE1 no hydrogen 2.452 N/A GLN 128.A N TYR 124.A O no hydrogen 2.956 N/A GLN 128.A N LEU 125.A O no hydrogen 3.033 N/A MET 129.A N LEU 125.A O no hydrogen 3.095 N/A LEU 130.A N LEU 126.A O no hydrogen 3.065 N/A CYS 131.A N TYR 127.A O no hydrogen 3.000 N/A CYS 131.A SG TYR 127.A O no hydrogen 3.284 N/A GLY 132.A N GLN 128.A O no hydrogen 3.079 N/A ILE 133.A N MET 129.A O no hydrogen 2.908 N/A LYS 134.A N LEU 130.A O no hydrogen 2.722 N/A LYS 134.A NZ ASP 304.A OD1 no hydrogen 3.013 N/A HIS 135.A N CYS 131.A O no hydrogen 3.120 N/A LEU 136.A N GLY 132.A O no hydrogen 3.278 N/A HIS 137.A N ILE 133.A O no hydrogen 2.980 N/A HIS 137.A NE2 ASP 198.A OD2 no hydrogen 2.762 N/A SER 138.A N LYS 134.A O no hydrogen 2.817 N/A SER 138.A OG HIS 135.A O no hydrogen 2.719 N/A ALA 139.A N LEU 136.A O no hydrogen 3.057 N/A GLY 140.A N HIS 137.A O no hydrogen 3.048 N/A ILE 141.A N LEU 136.A O no hydrogen 2.982 N/A HIS 143.A N ASP 198.A OD2 no hydrogen 3.013 N/A HIS 143.A NE2 ASP 163.A O no hydrogen 2.951 N/A ARG 144.A N ASP 198.A OD1 no hydrogen 2.645 N/A ARG 144.A NH2 ALA 167.A O no hydrogen 2.392 N/A ASP 145.A N HIS 143.A ND1 no hydrogen 2.986 N/A LYS 147.A NZ ASP 145.A OD1 no hydrogen 3.129 N/A LYS 147.A NZ ASP 145.A OD2 no hydrogen 2.892 N/A ASN 150.A N LYS 147.A O no hydrogen 3.205 N/A ASN 150.A ND2 ASP 145.A O no hydrogen 3.224 N/A VAL 152.A N LYS 160.A O no hydrogen 2.957 N/A VAL 153.A N ALA 107.A O no hydrogen 2.506 N/A LYS 154.A N THR 158.A O no hydrogen 2.842 N/A SER 155.A N ASP 106.A OD2 no hydrogen 2.870 N/A SER 155.A OG ASP 106.A OD2 no hydrogen 3.132 N/A CYS 157.A N LYS 154.A O no hydrogen 2.984 N/A THR 158.A N ASP 156.A OD1 no hydrogen 3.028 N/A THR 158.A OG1 ASP 156.A OD1 no hydrogen 2.586 N/A LYS 160.A N VAL 152.A O no hydrogen 2.983 N/A ILE 161.A N ASN 78.A O no hydrogen 2.875 N/A LEU 162.A N ASN 150.A O no hydrogen 2.772 N/A GLY 165.A N ASP 163.A OD1 no hydrogen 3.179 N/A LEU 166.A N HIS 143.A O no hydrogen 3.154 N/A ARG 168.A N ASP 334.A O no hydrogen 3.276 N/A ARG 168.A NE ASP 334.A OD1 no hydrogen 3.263 N/A THR 174.A OG1 TYR 176.A O no hydrogen 3.513 N/A TYR 176.A N THR 174.A OG1 no hydrogen 2.773 N/A TYR 182.A OH GLU 208.A OE1 no hydrogen 2.721 N/A ARG 183.A N ARG 180.A O no hydrogen 2.972 N/A ARG 183.A NE ASP 145.A OD1 no hydrogen 3.038 N/A ARG 183.A NH2 ASP 145.A OD1 no hydrogen 3.344 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.635 N/A VAL 187.A N ALA 184.A O no hydrogen 2.867 N/A ILE 188.A N ALA 184.A O no hydrogen 2.894 N/A LEU 189.A N PRO 185.A O no hydrogen 2.674 N/A GLY 190.A N VAL 187.A O no hydrogen 3.268 N/A MET 191.A N GLU 186.A O no hydrogen 2.808 N/A ASN 196.A ND2 PRO 297.A O no hydrogen 3.037 N/A ASN 196.A ND2 ARG 300.A O no hydrogen 3.166 N/A VAL 197.A N LYS 194.A O no hydrogen 3.123 N/A ASP 198.A N GLU 195.A O no hydrogen 3.269 N/A ILE 199.A N ASN 196.A O no hydrogen 3.331 N/A TRP 200.A N VAL 197.A O no hydrogen 3.350 N/A SER 201.A OG TYR 182.A O no hydrogen 2.765 N/A VAL 202.A N ASP 198.A O no hydrogen 3.118 N/A GLY 203.A N ILE 199.A O no hydrogen 3.151 N/A CYS 204.A N TRP 200.A O no hydrogen 3.028 N/A CYS 204.A N SER 201.A O no hydrogen 3.043 N/A CYS 204.A SG TYR 181.A O no hydrogen 4.014 N/A CYS 204.A SG TRP 200.A O no hydrogen 3.557 N/A ILE 205.A N SER 201.A O no hydrogen 2.985 N/A MET 206.A N VAL 202.A O no hydrogen 2.934 N/A GLY 207.A N GLY 203.A O no hydrogen 2.981 N/A GLU 208.A N CYS 204.A O no hydrogen 3.043 N/A MET 209.A N ILE 205.A O no hydrogen 2.787 N/A VAL 210.A N MET 206.A O no hydrogen 3.245 N/A ARG 211.A N GLY 207.A O no hydrogen 2.904 N/A HIS 212.A N GLU 208.A O no hydrogen 2.722 N/A HIS 212.A ND1 ILE 113.A O no hydrogen 2.756 N/A GLY 218.A N PHE 216.A O no hydrogen 2.896 N/A GLY 218.A N GLN 224.A OE1 no hydrogen 3.055 N/A ARG 219.A N ASP 223.A OD2 no hydrogen 3.017 N/A ASP 223.A N ASP 220.A OD1 no hydrogen 2.668 N/A GLN 224.A N ASP 220.A O no hydrogen 2.805 N/A GLN 224.A NE2 PHE 216.A O no hydrogen 2.647 N/A TRP 225.A N TYR 221.A O no hydrogen 3.055 N/A ASN 226.A N ILE 222.A O no hydrogen 3.080 N/A LYS 227.A N ASP 223.A O no hydrogen 3.228 N/A LYS 227.A NZ ASP 223.A OD1 no hydrogen 3.009 N/A VAL 228.A N GLN 224.A O no hydrogen 2.973 N/A ILE 229.A N TRP 225.A O no hydrogen 3.089 N/A GLU 230.A N ASN 226.A O no hydrogen 3.034 N/A GLN 231.A N LYS 227.A O no hydrogen 3.468 N/A LEU 232.A N VAL 228.A O no hydrogen 3.020 N/A THR 234.A N TYR 257.A O no hydrogen 2.951 N/A CYS 236.A SG GLU 238.A OE2 no hydrogen 3.245 N/A PHE 239.A N CYS 236.A O no hydrogen 3.113 N/A LYS 241.A N PRO 237.A O no hydrogen 3.222 N/A LYS 242.A N PHE 239.A O no hydrogen 2.985 N/A LYS 242.A NZ GLU 238.A O no hydrogen 2.664 N/A LEU 243.A N MET 240.A O no hydrogen 3.014 N/A ARG 248.A N GLN 244.A O no hydrogen 2.611 N/A ARG 248.A NE GLU 252.A OE1 no hydrogen 3.109 N/A ASN 249.A N PRO 245.A O no hydrogen 3.038 N/A VAL 251.A N VAL 247.A O no hydrogen 2.821 N/A GLU 252.A N ARG 248.A O no hydrogen 2.758 N/A ASN 253.A N ASN 249.A O no hydrogen 3.125 N/A ASN 253.A N TYR 250.A O no hydrogen 3.183 N/A ASN 253.A ND2 ASN 249.A O no hydrogen 2.722 N/A ARG 254.A N VAL 251.A O no hydrogen 3.286 N/A ARG 254.A NH2 ASN 226.A OD1 no hydrogen 3.512 N/A LYS 256.A NZ GLU 252.A O no hydrogen 3.172 N/A TYR 257.A N THR 234.A OG1 no hydrogen 2.970 N/A LEU 260.A N GLN 231.A O no hydrogen 2.908 N/A LYS 264.A N THR 261.A OG1 no hydrogen 3.344 N/A LEU 265.A N THR 261.A O no hydrogen 2.733 N/A PHE 266.A N PHE 262.A O no hydrogen 2.786 N/A LEU 270.A N PRO 267.A O no hydrogen 3.301 N/A PHE 271.A N ASP 268.A O no hydrogen 3.311 N/A SER 275.A N ASP 274.A OD1 no hydrogen 2.733 N/A HIS 277.A ND1 ASN 278.A OD1 no hydrogen 3.336 N/A ASN 278.A N SER 275.A OG no hydrogen 3.221 N/A LYS 279.A N SER 275.A O no hydrogen 2.921 N/A LEU 280.A N GLU 276.A O no hydrogen 2.816 N/A LYS 281.A N HIS 277.A O no hydrogen 2.806 N/A LYS 281.A NZ GLN 284.A OE1 no hydrogen 3.362 N/A ALA 282.A N ASN 278.A O no hydrogen 2.816 N/A SER 283.A N LYS 279.A O no hydrogen 3.292 N/A SER 283.A OG LEU 280.A O no hydrogen 3.213 N/A GLN 284.A N LEU 280.A O no hydrogen 3.171 N/A ALA 285.A N LYS 281.A O no hydrogen 2.805 N/A ARG 286.A N ALA 282.A O no hydrogen 3.081 N/A ARG 286.A NH1 PHE 266.A O no hydrogen 2.688 N/A ASP 287.A N SER 283.A O no hydrogen 3.076 N/A LEU 288.A N GLN 284.A O no hydrogen 3.319 N/A LEU 289.A N ALA 285.A O no hydrogen 3.053 N/A SER 290.A N ARG 286.A O no hydrogen 2.777 N/A SER 290.A OG ARG 286.A O no hydrogen 3.439 N/A SER 290.A OG ASP 287.A O no hydrogen 2.567 N/A LYS 291.A N LEU 288.A O no hydrogen 2.862 N/A MET 292.A N LEU 288.A O no hydrogen 2.931 N/A LEU 293.A N LEU 289.A O no hydrogen 2.858 N/A ALA 298.A N ASP 296.A OD1 no hydrogen 3.107 N/A LYS 299.A N ASP 296.A O no hydrogen 2.800 N/A LYS 299.A NZ GLU 238.A OE1 no hydrogen 3.408 N/A LYS 299.A NZ GLU 238.A OE2 no hydrogen 3.448 N/A ARG 300.A NE VAL 294.A O no hydrogen 2.726 N/A ARG 300.A NH1 GLU 186.A OE2 no hydrogen 2.859 N/A ARG 300.A NH1 ASN 196.A O no hydrogen 2.886 N/A ARG 300.A NH2 GLU 186.A OE1 no hydrogen 3.097 N/A ARG 300.A NH2 GLU 186.A OE2 no hydrogen 3.536 N/A ARG 300.A NH2 VAL 294.A O no hydrogen 3.126 N/A ARG 300.A NH2 ILE 295.A O no hydrogen 3.024 N/A ILE 301.A N LYS 291.A O no hydrogen 3.057 N/A ASP 305.A N SER 302.A OG no hydrogen 3.427 N/A ALA 306.A N SER 302.A O no hydrogen 3.020 N/A LEU 307.A N VAL 303.A O no hydrogen 2.978 N/A GLN 308.A N ASP 304.A O no hydrogen 3.021 N/A GLN 308.A N ASP 305.A O no hydrogen 3.128 N/A HIS 309.A N ALA 306.A O no hydrogen 3.264 N/A HIS 309.A NE2 GLN 284.A O no hydrogen 3.070 N/A TYR 311.A OH HIS 119.A ND1 no hydrogen 2.953 N/A ILE 312.A N HIS 309.A O no hydrogen 3.046 N/A ASN 313.A N HIS 309.A O no hydrogen 2.618 N/A TRP 315.A N ILE 312.A O no hydrogen 3.116 N/A TRP 315.A NE1 SER 123.A OG no hydrogen 2.883 N/A TYR 316.A N ASN 313.A O no hydrogen 3.183 N/A ALA 319.A N ASP 317.A OD1 no hydrogen 3.016 N/A GLU 320.A N ASP 317.A O no hydrogen 2.931 N/A VAL 321.A N ASP 317.A O no hydrogen 2.761 N/A GLU 322.A N PRO 318.A O no hydrogen 2.727 N/A GLN 327.A NE2 PRO 325.A O no hydrogen 2.824 N/A LYS 331.A NZ ILE 328.A O no hydrogen 3.024 N/A LYS 331.A NZ TYR 329.A O no hydrogen 3.554 N/A GLN 332.A N ASP 330.A O no hydrogen 2.616 N/A GLN 332.A N ASP 330.A OD2 no hydrogen 3.185 N/A GLU 335.A N GLN 332.A O no hydrogen 3.382 N/A ARG 336.A NE HIS 338.A NE2 no hydrogen 3.293 N/A ARG 336.A NH1 ASP 330.A OD2 no hydrogen 2.547 N/A ARG 336.A NH2 HIS 338.A NE2 no hydrogen 3.306 N/A THR 339.A N GLU 342.A OE1 no hydrogen 2.883 N/A TRP 343.A N THR 339.A O no hydrogen 2.969 N/A LYS 344.A N ILE 340.A O no hydrogen 3.104 N/A GLU 345.A N GLU 341.A O no hydrogen 3.337 N/A LEU 346.A N GLU 342.A O no hydrogen 3.083 N/A ILE 347.A N TRP 343.A O no hydrogen 2.788 N/A TYR 348.A N LYS 344.A O no hydrogen 2.893 N/A LYS 349.A N GLU 345.A O no hydrogen 2.959 N/A LYS 349.A NZ GLU 345.A OE2 no hydrogen 3.372 N/A GLU 350.A N LEU 346.A O no hydrogen 3.058 N/A VAL 351.A N ILE 347.A O no hydrogen 2.868 N/A MET 352.A N TYR 348.A O no hydrogen 2.857 N/A ASN 353.A N LYS 349.A O no hydrogen 2.633 N/A