Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dxk_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ILE 323.A O no hydrogen 3.362 N/A TYR 2.A OH ASP 318.A OD2 no hydrogen 2.862 N/A HIS 3.A N MET 321.A O no hydrogen 2.969 N/A SER 4.A OG LEU 6.A O no hydrogen 3.268 N/A PHE 5.A N GLY 319.A O no hydrogen 2.998 N/A ILE 10.A N GLY 316.A O no hydrogen 3.212 N/A SER 11.A N CYS 25.A O no hydrogen 2.781 N/A HIS 13.A ND1 THR 315.A OG1 no hydrogen 2.715 N/A HIS 13.A NE2 SER 300.A OG no hydrogen 2.884 N/A ALA 14.A N ALA 23.A O no hydrogen 2.871 N/A ASN 16.A N GLN 21.A O no hydrogen 3.122 N/A LYS 17.A NZ ASP 62.A OD1 no hydrogen 2.974 N/A ARG 19.A N ASN 16.A O no hydrogen 3.215 N/A ARG 19.A NE LEU 302.A O no hydrogen 2.636 N/A ARG 19.A NH1 ASN 16.A O no hydrogen 2.667 N/A THR 20.A N ASN 16.A OD1 no hydrogen 2.718 N/A ILE 22.A N TYR 34.A O no hydrogen 3.051 N/A ALA 23.A N ALA 14.A O no hydrogen 2.718 N/A ILE 24.A N HIS 32.A O no hydrogen 2.749 N/A CYS 25.A N CYS 12.A O no hydrogen 3.136 N/A CYS 25.A SG ASN 28.A O no hydrogen 3.380 N/A CYS 25.A SG GLU 30.A O no hydrogen 3.506 N/A CYS 25.A SG VAL 54.A O no hydrogen 3.496 N/A ASN 27.A N CYS 25.A O no hydrogen 3.116 N/A GLU 30.A N ASN 28.A OD1 no hydrogen 2.621 N/A VAL 31.A N LEU 47.A O no hydrogen 3.203 N/A HIS 32.A N ILE 24.A O no hydrogen 2.611 N/A ILE 33.A N HIS 45.A O no hydrogen 2.949 N/A TYR 34.A N ILE 22.A O no hydrogen 2.920 N/A GLU 35.A N VAL 42.A O no hydrogen 3.042 N/A SER 37.A N LYS 40.A O no hydrogen 2.802 N/A LYS 40.A N SER 37.A O no hydrogen 3.205 N/A VAL 42.A N GLU 35.A O no hydrogen 2.786 N/A GLN 43.A NE2 HIS 45.A O no hydrogen 3.694 N/A GLN 43.A NE2 GLU 46.A OE1 no hydrogen 3.140 N/A VAL 44.A N ILE 33.A O no hydrogen 2.889 N/A HIS 45.A N ILE 33.A O no hydrogen 3.341 N/A LEU 47.A N VAL 31.A O no hydrogen 2.844 N/A HIS 50.A ND1 ASP 72.A OD2 no hydrogen 3.268 N/A HIS 50.A NE2 THR 68.A OG1 no hydrogen 2.567 N/A ASN 51.A N ASP 72.A OD2 no hydrogen 2.702 N/A GLY 52.A N ASP 72.A OD2 no hydrogen 3.161 N/A VAL 54.A N ASN 28.A O no hydrogen 3.172 N/A THR 55.A N CYS 69.A O no hydrogen 2.956 N/A THR 55.A OG1 CYS 69.A O no hydrogen 3.459 N/A THR 55.A OG1 ALA 98.A O no hydrogen 2.893 N/A GLY 56.A N CYS 69.A O no hydrogen 3.363 N/A ASP 58.A N VAL 67.A O no hydrogen 3.032 N/A ALA 60.A N ARG 65.A O no hydrogen 2.811 N/A ASP 62.A N GLU 107.A OE2 no hydrogen 3.149 N/A SER 63.A N GLU 107.A OE1 no hydrogen 2.757 N/A SER 63.A OG GLU 107.A OE1 no hydrogen 2.593 N/A ARG 65.A NE SER 63.A OG no hydrogen 3.006 N/A ILE 66.A N TRP 78.A O no hydrogen 3.047 N/A VAL 67.A N ASP 58.A O no hydrogen 2.871 N/A THR 68.A N TYR 76.A O no hydrogen 2.924 N/A THR 68.A OG1 HIS 50.A NE2 no hydrogen 2.567 N/A CYS 69.A N GLY 56.A O no hydrogen 3.174 N/A CYS 69.A SG THR 55.A OG1 no hydrogen 3.583 N/A CYS 69.A SG GLY 56.A O no hydrogen 4.005 N/A GLY 70.A N ASN 74.A O no hydrogen 3.230 N/A THR 71.A N GLN 53.A O no hydrogen 2.898 N/A ARG 73.A N GLY 70.A O no hydrogen 3.101 N/A ARG 73.A NE ILE 94.A O no hydrogen 3.566 N/A ARG 73.A NH2 ILE 94.A O no hydrogen 3.534 N/A ASN 74.A N ASP 72.A OD1 no hydrogen 3.140 N/A TYR 76.A N THR 68.A O no hydrogen 2.789 N/A VAL 77.A N THR 88.A O no hydrogen 3.004 N/A TRP 78.A N ILE 66.A O no hydrogen 2.540 N/A TRP 78.A NE1 THR 68.A OG1 no hydrogen 3.027 N/A THR 79.A N LYS 86.A O no hydrogen 3.022 N/A LYS 81.A N THR 84.A O no hydrogen 2.938 N/A THR 84.A N LYS 81.A O no hydrogen 3.260 N/A THR 84.A OG1 LYS 81.A O no hydrogen 3.347 N/A LYS 86.A N THR 79.A O no hydrogen 2.789 N/A THR 88.A N VAL 77.A O no hydrogen 2.855 N/A VAL 90.A N ALA 75.A O no hydrogen 3.061 N/A ARG 93.A NH2 CYS 133.A O no hydrogen 3.111 N/A ASN 95.A N SER 116.A OG no hydrogen 3.049 N/A ARG 96.A NH1 ASN 95.A O no hydrogen 2.924 N/A ALA 98.A N GLY 70.A O no hydrogen 3.173 N/A ARG 99.A N GLY 113.A O no hydrogen 2.740 N/A ARG 99.A NH1 ARG 99.A O no hydrogen 2.954 N/A CYS 100.A N GLY 113.A O no hydrogen 3.353 N/A CYS 100.A SG VAL 144.A O no hydrogen 3.833 N/A CYS 100.A SG LEU 145.A O no hydrogen 3.595 N/A ARG 102.A N ALA 111.A O no hydrogen 3.107 N/A ARG 102.A NH1 VAL 101.A O no hydrogen 2.941 N/A TRP 103.A N ASP 58.A OD2 no hydrogen 2.485 N/A TRP 103.A NE1 ASP 58.A O no hydrogen 3.077 N/A ALA 104.A N LYS 109.A O no hydrogen 2.988 N/A ASN 106.A N SER 153.A OG no hydrogen 2.918 N/A GLU 107.A N ALA 104.A O no hydrogen 2.872 N/A LYS 109.A NZ SER 153.A O no hydrogen 2.534 N/A LYS 109.A NZ ALA 170.A O no hydrogen 3.070 N/A LYS 109.A NZ GLU 176.A OE1 no hydrogen 2.741 N/A PHE 110.A N CYS 122.A O no hydrogen 3.140 N/A ALA 111.A N ARG 102.A O no hydrogen 3.028 N/A VAL 112.A N SER 120.A O no hydrogen 3.033 N/A GLY 113.A N CYS 100.A O no hydrogen 2.964 N/A GLY 115.A N ALA 97.A O no hydrogen 2.883 N/A SER 116.A N SER 114.A OG no hydrogen 3.090 N/A SER 116.A OG ASN 95.A OD1 no hydrogen 2.986 N/A ARG 117.A N SER 114.A O no hydrogen 3.330 N/A ARG 117.A NE ARG 141.A O no hydrogen 2.858 N/A ILE 119.A N ILE 136.A O no hydrogen 3.109 N/A SER 120.A N VAL 112.A O no hydrogen 2.949 N/A SER 120.A OG LEU 92.A O no hydrogen 3.186 N/A SER 120.A OG HIS 135.A NE2 no hydrogen 3.396 N/A ILE 121.A N LYS 134.A O no hydrogen 3.011 N/A CYS 122.A N PHE 110.A O no hydrogen 2.861 N/A CYS 122.A SG SER 120.A O no hydrogen 3.772 N/A TYR 123.A N VAL 132.A O no hydrogen 3.018 N/A TYR 123.A OH GLU 174.A OE1 no hydrogen 2.949 N/A GLU 125.A N TRP 130.A O no hydrogen 3.174 N/A ASP 129.A N GLU 125.A O no hydrogen 2.895 N/A VAL 132.A N TYR 123.A O no hydrogen 3.175 N/A CYS 133.A SG ILE 91.A O no hydrogen 3.494 N/A CYS 133.A SG LEU 92.A O no hydrogen 3.735 N/A LYS 134.A N ILE 121.A O no hydrogen 3.111 N/A HIS 135.A NE2 LEU 92.A O no hydrogen 2.916 N/A ILE 136.A N ILE 119.A O no hydrogen 3.046 N/A LYS 137.A NZ ARG 117.A O no hydrogen 3.358 N/A ILE 140.A N LYS 137.A O no hydrogen 2.762 N/A ARG 141.A N ASP 162.A OD2 no hydrogen 2.925 N/A VAL 144.A N SER 114.A O no hydrogen 3.112 N/A LEU 145.A N GLY 159.A O no hydrogen 2.788 N/A SER 146.A N GLY 159.A O no hydrogen 2.990 N/A SER 146.A OG VAL 202.A O no hydrogen 3.558 N/A SER 146.A OG HIS 203.A O no hydrogen 3.061 N/A ASP 148.A N ALA 157.A O no hydrogen 3.072 N/A TRP 149.A NE1 ARG 102.A O no hydrogen 2.674 N/A HIS 150.A N LEU 155.A O no hydrogen 2.940 N/A ASN 152.A N HIS 150.A ND1 no hydrogen 2.938 N/A SER 153.A N HIS 150.A O no hydrogen 2.859 N/A VAL 154.A N ASN 152.A OD1 no hydrogen 2.680 N/A LEU 155.A N ASN 152.A OD1 no hydrogen 3.004 N/A LEU 156.A N PHE 168.A O no hydrogen 2.905 N/A ALA 157.A N ASP 148.A O no hydrogen 2.990 N/A ALA 158.A N ARG 166.A O no hydrogen 2.567 N/A GLY 159.A N SER 146.A O no hydrogen 3.139 N/A SER 160.A N LYS 164.A O no hydrogen 3.255 N/A SER 160.A OG ASP 162.A OD1 no hydrogen 2.671 N/A CYS 161.A N THR 143.A O no hydrogen 2.884 N/A CYS 161.A SG THR 143.A O no hydrogen 3.733 N/A LYS 164.A N ASP 162.A OD1 no hydrogen 3.209 N/A LYS 164.A NZ SER 197.A O no hydrogen 2.786 N/A CYS 165.A N SER 197.A OG no hydrogen 2.693 N/A CYS 165.A SG ALA 158.A O no hydrogen 3.939 N/A ARG 166.A N ALA 158.A O no hydrogen 2.687 N/A ARG 166.A NE GLU 196.A OE2 no hydrogen 3.018 N/A ARG 166.A NH1 ASP 162.A OD1 no hydrogen 3.403 N/A ARG 166.A NH1 ASP 162.A OD2 no hydrogen 3.148 N/A ARG 166.A NH2 ASP 162.A OD2 no hydrogen 3.291 N/A ARG 166.A NH2 GLU 196.A OE2 no hydrogen 3.508 N/A ILE 167.A N PHE 195.A O no hydrogen 3.153 N/A PHE 168.A N LEU 156.A O no hydrogen 2.659 N/A SER 169.A OG MET 188.A O no hydrogen 3.011 N/A ALA 170.A N VAL 154.A O no hydrogen 2.724 N/A TYR 171.A N SER 169.A OG no hydrogen 3.383 N/A ILE 172.A N GLU 176.A OE1 no hydrogen 3.333 N/A THR 182.A N GLY 185.A O no hydrogen 3.153 N/A TRP 184.A NE1 GLY 211.A O no hydrogen 2.625 N/A GLY 185.A N THR 182.A O no hydrogen 2.749 N/A GLY 191.A N SER 169.A O no hydrogen 2.823 N/A GLU 192.A N PRO 189.A O no hydrogen 3.080 N/A MET 194.A N ILE 167.A O no hydrogen 2.954 N/A PHE 195.A N ILE 167.A O no hydrogen 3.362 N/A SER 197.A N CYS 165.A O no hydrogen 2.971 N/A SER 197.A OG CYS 165.A O no hydrogen 2.998 N/A VAL 202.A N SER 160.A O no hydrogen 3.254 N/A HIS 203.A NE2 HIS 219.A ND1 no hydrogen 2.816 N/A GLY 204.A N VAL 217.A O no hydrogen 3.480 N/A CYS 206.A N ALA 215.A O no hydrogen 2.632 N/A CYS 206.A SG PHE 207.A O no hydrogen 3.808 N/A CYS 206.A SG THR 248.A OG1 no hydrogen 3.708 N/A PHE 207.A N ASP 148.A OD2 no hydrogen 2.579 N/A SER 208.A N ARG 213.A O no hydrogen 2.758 N/A SER 208.A OG ASN 210.A OD1 no hydrogen 3.532 N/A SER 208.A OG ARG 213.A O no hydrogen 3.515 N/A SER 208.A OG GLU 252.A OE1 no hydrogen 3.015 N/A SER 208.A OG GLU 252.A OE2 no hydrogen 3.327 N/A ASN 210.A N GLU 252.A OE2 no hydrogen 2.879 N/A GLY 211.A N SER 208.A O no hydrogen 2.872 N/A GLY 211.A N SER 208.A OG no hydrogen 3.257 N/A SER 212.A N ASN 210.A OD1 no hydrogen 2.630 N/A SER 212.A OG ASN 210.A OD1 no hydrogen 2.922 N/A SER 212.A OG ASP 229.A OD2 no hydrogen 3.300 N/A ARG 213.A N SER 208.A OG no hydrogen 3.408 N/A ARG 213.A NH1 GLU 252.A O no hydrogen 2.404 N/A ARG 213.A NH1 SER 253.A OG no hydrogen 2.849 N/A VAL 214.A N ALA 226.A O no hydrogen 3.463 N/A ALA 215.A N CYS 206.A O no hydrogen 2.696 N/A TRP 216.A N CYS 224.A O no hydrogen 3.132 N/A VAL 217.A N GLY 204.A O no hydrogen 2.899 N/A SER 218.A N THR 222.A O no hydrogen 3.193 N/A HIS 219.A N TRP 201.A O no hydrogen 2.838 N/A HIS 219.A ND1 HIS 203.A NE2 no hydrogen 2.816 N/A SER 221.A OG THR 241.A O no hydrogen 2.728 N/A THR 222.A OG1 ASP 220.A OD1 no hydrogen 2.765 N/A VAL 223.A N LEU 237.A O no hydrogen 3.098 N/A CYS 224.A N TRP 216.A O no hydrogen 2.914 N/A CYS 224.A SG THR 236.A OG1 no hydrogen 3.714 N/A LEU 225.A N ALA 235.A O no hydrogen 3.024 N/A ALA 226.A N VAL 214.A O no hydrogen 3.012 N/A ASP 227.A N ALA 233.A O no hydrogen 2.848 N/A ALA 228.A N SER 212.A O no hydrogen 2.782 N/A ASP 229.A N ASP 227.A OD1 no hydrogen 3.299 N/A LYS 230.A N ASP 227.A O no hydrogen 3.065 N/A LYS 230.A NZ SER 271.A O no hydrogen 3.071 N/A ALA 233.A N LYS 230.A O no hydrogen 3.121 N/A ALA 235.A N LEU 225.A O no hydrogen 2.656 N/A LEU 237.A N VAL 223.A O no hydrogen 3.123 N/A SER 239.A N SER 221.A O no hydrogen 2.741 N/A SER 239.A OG THR 241.A OG1 no hydrogen 2.777 N/A THR 241.A N SER 239.A OG no hydrogen 3.089 N/A THR 241.A OG1 SER 239.A OG no hydrogen 2.777 N/A THR 241.A OG1 ASP 261.A OD2 no hydrogen 2.900 N/A LEU 245.A N ALA 258.A O no hydrogen 2.755 N/A ALA 246.A N ALA 258.A O no hydrogen 3.182 N/A THR 248.A N VAL 256.A O no hydrogen 3.080 N/A THR 248.A OG1 PHE 249.A O no hydrogen 3.465 N/A ILE 250.A N SER 254.A O no hydrogen 2.713 N/A SER 253.A N THR 251.A OG1 no hydrogen 3.106 N/A SER 254.A N THR 251.A O no hydrogen 3.232 N/A LEU 255.A N PHE 267.A O no hydrogen 2.845 N/A VAL 256.A N THR 248.A O no hydrogen 3.098 N/A ALA 257.A N VAL 265.A O no hydrogen 2.908 N/A ALA 258.A N ALA 246.A O no hydrogen 3.306 N/A HIS 260.A N PRO 243.A O no hydrogen 3.070 N/A CYS 262.A N GLY 259.A O no hydrogen 3.278 N/A CYS 262.A SG HIS 260.A O no hydrogen 3.788 N/A VAL 265.A N ALA 257.A O no hydrogen 2.670 N/A LEU 266.A N GLY 280.A O no hydrogen 3.158 N/A PHE 267.A N LEU 255.A O no hydrogen 2.662 N/A THR 268.A N SER 277.A O no hydrogen 3.086 N/A TYR 269.A N SER 253.A O no hydrogen 2.691 N/A TYR 269.A OH ASP 227.A OD2 no hydrogen 2.799 N/A ASP 270.A N LYS 275.A O no hydrogen 3.165 N/A ALA 273.A N ASP 270.A OD1 no hydrogen 3.019 N/A GLY 274.A N ASP 270.A O no hydrogen 2.819 N/A SER 277.A N THR 268.A O no hydrogen 2.982 N/A GLY 279.A N LEU 266.A O no hydrogen 2.734 N/A ARG 281.A NH1 ASP 283.A O no hydrogen 2.405 N/A ARG 281.A NH2 ASP 289.A OD1 no hydrogen 2.777 N/A ARG 281.A NH2 ASP 289.A OD2 no hydrogen 3.310 N/A LEU 282.A N PRO 264.A O no hydrogen 3.199 N/A SER 290.A OG HIS 292.A O no hydrogen 2.771 N/A LEU 291.A N ASP 283.A OD2 no hydrogen 2.722 N/A HIS 292.A NE2 THR 314.A OG1 no hydrogen 2.784 N/A LYS 293.A N ASP 318.A OD2 no hydrogen 3.030 N/A LYS 293.A NZ SER 290.A O no hydrogen 3.338 N/A LYS 293.A NZ LEU 291.A O no hydrogen 3.012 N/A SER 295.A N ASN 294.A OD1 no hydrogen 2.768 N/A SER 295.A OG HIS 260.A ND1 no hydrogen 2.679 N/A VAL 296.A N GLY 259.A O no hydrogen 2.787 N/A SER 297.A N THR 315.A O no hydrogen 2.986 N/A GLN 298.A N THR 315.A O no hydrogen 3.397 N/A SER 300.A N CYS 313.A O no hydrogen 2.994 N/A SER 300.A OG HIS 13.A NE2 no hydrogen 2.884 N/A LEU 302.A N GLN 311.A O no hydrogen 2.778 N/A SER 303.A N GLN 311.A O no hydrogen 3.239 N/A SER 303.A OG SER 310.A OG no hydrogen 3.299 N/A LYS 306.A NZ PHE 207.A O no hydrogen 2.567 N/A LYS 308.A N GLY 304.A O no hydrogen 3.092 N/A CYS 309.A N ILE 250.A O no hydrogen 3.081 N/A CYS 309.A SG SER 303.A O no hydrogen 4.009 N/A CYS 309.A SG GLN 311.A O no hydrogen 3.526 N/A SER 310.A N SER 303.A O no hydrogen 2.880 N/A SER 310.A OG SER 303.A O no hydrogen 3.362 N/A SER 310.A OG SER 303.A OG no hydrogen 3.299 N/A GLN 311.A N SER 303.A O no hydrogen 3.442 N/A GLN 311.A NE2 ASP 325.A OD2 no hydrogen 3.513 N/A PHE 312.A N TRP 324.A O no hydrogen 3.254 N/A CYS 313.A N SER 300.A O no hydrogen 2.715 N/A CYS 313.A SG THR 314.A O no hydrogen 3.889 N/A CYS 313.A SG SER 322.A O no hydrogen 3.985 N/A THR 314.A N SER 322.A O no hydrogen 2.996 N/A THR 314.A OG1 HIS 292.A NE2 no hydrogen 2.784 N/A THR 315.A N GLN 298.A O no hydrogen 3.225 N/A THR 315.A OG1 HIS 13.A ND1 no hydrogen 2.715 N/A GLY 316.A N GLY 320.A O no hydrogen 3.375 N/A MET 317.A N SER 295.A O no hydrogen 2.778 N/A GLY 319.A N GLY 316.A O no hydrogen 3.118 N/A GLY 320.A N ASP 318.A OD1 no hydrogen 3.140 N/A MET 321.A N HIS 3.A O no hydrogen 2.729 N/A SER 322.A N THR 314.A O no hydrogen 2.909 N/A SER 322.A OG HIS 292.A NE2 no hydrogen 3.159 N/A ILE 323.A N ALA 1.A O no hydrogen 2.801 N/A TRP 324.A N PHE 312.A O no hydrogen 2.982 N/A TRP 324.A NE1 THR 314.A OG1 no hydrogen 2.933 N/A VAL 326.A N SER 310.A O no hydrogen 2.797 N/A ARG 327.A N ASP 325.A OD1 no hydrogen 3.094 N/A SER 328.A N ASP 325.A OD1 no hydrogen 3.041 N/A LEU 329.A N ASP 325.A O no hydrogen 3.029 N/A GLU 330.A N VAL 326.A O no hydrogen 2.922 N/A SER 331.A N ARG 327.A O no hydrogen 2.943 N/A SER 331.A OG ARG 327.A O no hydrogen 2.873 N/A ALA 332.A N SER 328.A O no hydrogen 3.065 N/A LEU 333.A N LEU 329.A O no hydrogen 3.114 N/A LYS 334.A NZ ASP 335.A OD2 no hydrogen 2.699 N/A LEU 336.A N LEU 333.A O no hydrogen 2.718 N/A LYS 337.A NZ GLY 279.A O no hydrogen 3.358 N/A LYS 337.A NZ ASP 335.A O no hydrogen 2.734 N/A VAL 339.A N SER 254.A OG no hydrogen 2.469 N/A