Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k2b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N PRO 28.A O no hydrogen 3.117 N/A LYS 4.A N ASP 94.A OD2 no hydrogen 3.029 N/A LYS 4.A NZ LEU 91.A O no hydrogen 3.334 N/A VAL 5.A N ASP 30.A O no hydrogen 2.730 N/A ALA 6.A N ILE 95.A O no hydrogen 3.049 N/A ILE 7.A N ALA 33.A O no hydrogen 2.891 N/A ASN 8.A N ILE 97.A O no hydrogen 2.818 N/A ASN 8.A ND2 GLU 98.A OE2 no hydrogen 2.651 N/A GLY 9.A N ASN 35.A O no hydrogen 2.745 N/A GLY 11.A N GLY 9.A O no hydrogen 2.502 N/A ARG 12.A NE GLU 318.A OE1 no hydrogen 3.244 N/A ARG 12.A NE GLU 318.A OE2 no hydrogen 2.901 N/A ARG 12.A NH1 ASP 50.A OD1 no hydrogen 3.532 N/A ARG 12.A NH1 ASP 50.A OD2 no hydrogen 2.896 N/A ARG 12.A NH2 ASP 50.A OD1 no hydrogen 3.206 N/A ARG 12.A NH2 ASP 50.A OD2 no hydrogen 3.439 N/A ARG 12.A NH2 GLU 318.A OE1 no hydrogen 2.525 N/A ARG 15.A N GLY 11.A O no hydrogen 2.875 N/A ARG 15.A NE LEU 46.A O no hydrogen 2.919 N/A ARG 15.A NH1 PHE 10.A O no hydrogen 2.568 N/A ASN 16.A N ARG 12.A O no hydrogen 2.783 N/A ASN 16.A ND2 ARG 12.A O no hydrogen 2.906 N/A ASN 16.A ND2 GLU 318.A OE1 no hydrogen 3.100 N/A PHE 17.A N ILE 13.A O no hydrogen 2.750 N/A LEU 18.A N GLY 14.A O no hydrogen 3.263 N/A ARG 19.A N ARG 15.A O no hydrogen 3.197 N/A ARG 19.A NH1 GLY 54.A O no hydrogen 3.264 N/A ARG 19.A NH2 GLY 54.A O no hydrogen 3.100 N/A CYS 20.A N ASN 16.A O no hydrogen 2.742 N/A CYS 20.A SG ASN 16.A O no hydrogen 3.386 N/A CYS 20.A SG TRP 319.A O no hydrogen 3.693 N/A GLY 23.A N ARG 19.A O no hydrogen 3.063 N/A GLY 23.A N CYS 20.A O no hydrogen 3.093 N/A ARG 24.A N TRP 21A.A O no hydrogen 2.717 N/A ARG 24.A NE GLN 323.A OE1 no hydrogen 2.862 N/A ARG 24.A NH1 ASP 327.A OD1 no hydrogen 3.164 N/A ARG 24.A NH2 GLN 323.A OE1 no hydrogen 2.757 N/A ARG 24.A NH2 ASP 327.A OD1 no hydrogen 2.975 N/A SER 27.A OG LEU 29.A O no hydrogen 3.335 N/A LEU 29.A N SER 27.A OG no hydrogen 2.930 N/A ASP 30.A N LEU 3.A O no hydrogen 3.189 N/A ILE 32.A N VAL 5.A O no hydrogen 2.869 N/A ILE 34.A N GLN 76.A O no hydrogen 2.875 N/A ASN 35.A N ILE 7.A O no hydrogen 2.838 N/A ASN 35.A ND2 ASN 8.A OD1 no hydrogen 2.493 N/A ASN 35.A ND2 ASN 80.A O no hydrogen 3.116 N/A ALA 43.A N GLY 39.A O no hydrogen 3.280 N/A SER 44.A N VAL 40.A O no hydrogen 3.118 N/A HIS 45.A N LYS 41.A O no hydrogen 3.406 N/A LEU 46.A N GLN 42.A O no hydrogen 2.796 N/A LYS 48.A N SER 44.A O no hydrogen 3.301 N/A LYS 48.A NZ PHE 56.A O no hydrogen 2.877 N/A LYS 48.A NZ ALA 58.A O no hydrogen 3.023 N/A TYR 49.A N HIS 45.A O no hydrogen 3.030 N/A THR 52.A N ASP 50.A OD1 no hydrogen 2.687 N/A LEU 53.A N ASP 50.A OD1 no hydrogen 2.622 N/A GLY 54.A N ASP 50.A O no hydrogen 2.688 N/A PHE 56.A N LYS 48.A O no hydrogen 2.849 N/A ALA 58.A N PHE 56.A O no hydrogen 2.720 N/A ASP 59.A N ASP 71.A OD1 no hydrogen 2.846 N/A LYS 61.A N SER 69.A O no hydrogen 3.259 N/A SER 63.A N ALA 67.A O no hydrogen 2.847 N/A ILE 68.A N ILE 75.A O no hydrogen 2.886 N/A SER 69.A N LYS 61.A O no hydrogen 2.804 N/A SER 69.A OG LYS 61.A O no hydrogen 3.255 N/A VAL 70.A N LYS 73.A O no hydrogen 2.949 N/A ASP 71.A N ASP 59.A O no hydrogen 3.093 N/A LYS 73.A N VAL 70.A O no hydrogen 3.217 N/A LYS 73.A NZ ASP 30.A OD1 no hydrogen 3.254 N/A ILE 75.A N ILE 68.A O no hydrogen 2.688 N/A GLN 76.A N ILE 32.A O no hydrogen 3.295 N/A VAL 77.A N THR 66.A O no hydrogen 2.823 N/A VAL 78.A N ILE 34.A O no hydrogen 2.795 N/A SER 79.A OG ASP 36.A O no hydrogen 3.025 N/A ASN 80.A N ASN 35.A OD1 no hydrogen 2.920 N/A ASN 80.A ND2 ASN 82.A O no hydrogen 2.603 N/A SER 84.A N ASN 82.A OD1 no hydrogen 3.305 N/A SER 84.A OG ASN 82.A OD1 no hydrogen 3.545 N/A LEU 85.A N ASN 82.A O no hydrogen 2.697 N/A LEU 86.A N PRO 83.A O no hydrogen 2.778 N/A TRP 88.A NE1 HIS 112.A ND1 no hydrogen 2.726 N/A LYS 89.A N ALA 115.A O no hydrogen 2.993 N/A LYS 89.A NZ GLU 90.A OE1 no hydrogen 2.795 N/A LEU 91.A N PRO 87.A O no hydrogen 3.021 N/A GLY 92.A N TRP 88.A O no hydrogen 2.943 N/A ILE 93.A N TRP 88.A O no hydrogen 3.222 N/A ASP 94.A N LYS 4.A O no hydrogen 2.861 N/A ILE 95.A N LYS 4.A O no hydrogen 3.350 N/A VAL 96.A N LYS 119.A O no hydrogen 2.807 N/A ILE 97.A N ALA 6.A O no hydrogen 2.765 N/A GLU 98.A N ILE 121.A O no hydrogen 3.046 N/A GLY 99.A N ASN 8.A O no hydrogen 2.662 N/A THR 100.A N GLU 98.A OE1 no hydrogen 2.603 N/A THR 100.A OG1 GLU 98.A OE1 no hydrogen 2.541 N/A VAL 102.A N THR 100.A OG1 no hydrogen 3.118 N/A GLY 108.A N ASP 105.A OD1 no hydrogen 2.398 N/A ALA 109.A N ASP 105.A O no hydrogen 2.855 N/A GLY 110.A N ARG 106.A O no hydrogen 2.666 N/A LYS 111.A N GLY 108.A O no hydrogen 2.806 N/A HIS 112.A N ALA 109.A O no hydrogen 2.697 N/A HIS 112.A NE2 GLU 98.A OE2 no hydrogen 2.916 N/A ILE 113.A N GLY 110.A O no hydrogen 2.721 N/A GLU 114.A N GLY 110.A O no hydrogen 2.817 N/A ALA 115.A N HIS 112.A O no hydrogen 3.236 N/A GLY 116.A N ILE 113.A O no hydrogen 2.637 N/A ALA 117.A N HIS 112.A O no hydrogen 2.989 N/A LYS 118.A N ASP 94.A O no hydrogen 2.987 N/A LYS 119.A N ASP 94.A O no hydrogen 2.801 N/A LYS 119.A NZ TYR 142.A OH no hydrogen 2.785 N/A LYS 119.A NZ HIS 144.A O no hydrogen 2.753 N/A LYS 119.A NZ GLU 146.A O no hydrogen 2.678 N/A VAL 120.A N PRO 147.A O no hydrogen 2.884 N/A ILE 121.A N VAL 96.A O no hydrogen 2.908 N/A ILE 122.A N ILE 149.A O no hydrogen 2.739 N/A THR 123.A N GLU 98.A O no hydrogen 3.038 N/A THR 123.A OG1 GLU 98.A O no hydrogen 2.905 N/A ALA 124.A N ILE 122.A O no hydrogen 2.662 N/A THR 132.A OG1 ILE 130.A O no hydrogen 3.443 N/A TYR 133.A N SER 150.A O no hydrogen 2.863 N/A TYR 133.A OH GLU 146.A OE2 no hydrogen 2.488 N/A VAL 137.A N VAL 134.A O no hydrogen 2.821 N/A ASN 138.A N VAL 134.A O no hydrogen 3.037 N/A ASN 138.A ND2 VAL 134.A O no hydrogen 3.604 N/A ALA 141.A N ASN 138.A O no hydrogen 2.673 N/A TYR 142.A N ALA 139.A O no hydrogen 3.000 N/A SER 143.A N GLU 146.A OE2 no hydrogen 3.517 N/A SER 143.A OG ASP 145.A OD2 no hydrogen 2.710 N/A GLU 146.A N SER 143.A O no hydrogen 3.119 N/A ILE 149.A N VAL 120.A O no hydrogen 2.841 N/A SER 150.A N PRO 131.A O no hydrogen 2.902 N/A SER 150.A OG ALA 124.A O no hydrogen 2.294 N/A ASN 151.A N ILE 122.A O no hydrogen 3.056 N/A ALA 152.A N SER 150.A OG no hydrogen 3.044 N/A SER 153.A OG THR 156.A OG1 no hydrogen 3.365 N/A CYS 154.A SG HIS 181.A NE2 no hydrogen 3.391 N/A THR 155.A OG1 TYR 315.A OH no hydrogen 2.744 N/A THR 156.A N SER 153.A OG no hydrogen 3.133 N/A THR 156.A OG1 SER 153.A OG no hydrogen 3.365 N/A ASN 157.A N SER 153.A O no hydrogen 3.181 N/A CYS 158.A N CYS 154.A O no hydrogen 3.112 N/A LEU 159.A N THR 155.A O no hydrogen 2.774 N/A ALA 160.A N THR 156.A O no hydrogen 2.683 N/A VAL 163.A N LEU 159.A O no hydrogen 3.093 N/A LYS 164.A N ALA 160.A O no hydrogen 2.960 N/A LYS 164.A NZ GLN 168.A OE1 no hydrogen 3.088 N/A LEU 166.A N PHE 162.A O no hydrogen 3.042 N/A ASP 167.A N VAL 163.A O no hydrogen 3.009 N/A GLN 168.A N LYS 164.A O no hydrogen 3.128 N/A LYS 169.A N VAL 165.A O no hydrogen 2.838 N/A PHE 170.A N LEU 166.A O no hydrogen 2.686 N/A GLY 171.A N LEU 166.A O no hydrogen 3.102 N/A GLY 171.A N ASP 167.A O no hydrogen 2.848 N/A ILE 172.A N ASP 167.A OD1 no hydrogen 2.520 N/A ILE 173.A N GLN 249.A O no hydrogen 2.862 N/A GLY 175.A N LYS 228.A O no hydrogen 2.855 N/A THR 176.A N VAL 247.A O no hydrogen 2.886 N/A THR 176.A OG1 ASN 230.A OD1 no hydrogen 3.205 N/A MET 177.A N ASN 230.A O no hydrogen 2.924 N/A THR 178.A N ASP 245.A O no hydrogen 2.901 N/A THR 179.A N ILE 232.A O no hydrogen 3.044 N/A THR 179.A OG1 VAL 243.A O no hydrogen 3.334 N/A THR 180.A N VAL 243.A O no hydrogen 2.930 N/A HIS 181.A N LEU 234.A O no hydrogen 2.944 N/A HIS 181.A ND1 SER 182.A O no hydrogen 2.628 N/A SER 182.A N SER 242.A OG no hydrogen 3.256 N/A SER 182.A OG THR 238.A O no hydrogen 3.380 N/A SER 182.A OG THR 238.A OG1 no hydrogen 2.960 N/A SER 182.A OG VAL 241.A O no hydrogen 2.661 N/A TYR 183.A N THR 238.A O no hydrogen 3.095 N/A GLN 187.A N THR 184.A O no hydrogen 3.110 N/A ARG 188.A N ARG 199.A O no hydrogen 3.316 N/A ARG 188.A NH1 SER 193.A O no hydrogen 2.549 N/A ALA 192.A N ALA 200.A O no hydrogen 3.012 N/A ASP 196.A N HIS 194.A ND1 no hydrogen 2.812 N/A ARG 198.A N ASP 196.A OD1 no hydrogen 2.642 N/A ARG 199.A N ASP 196.A OD1 no hydrogen 2.414 N/A ARG 199.A NE THR 210.A OG1 no hydrogen 2.944 N/A ARG 201.A N ARG 198.A O no hydrogen 2.902 N/A ARG 201.A NE ASP 191.A OD2 no hydrogen 2.747 N/A ARG 201.A NH2 ASP 191.A OD2 no hydrogen 3.466 N/A ALA 202.A N ASP 191.A OD1 no hydrogen 2.571 N/A ALA 203.A N ARG 188.A O no hydrogen 2.825 N/A VAL 208.A N ARG 235.A O no hydrogen 2.696 N/A THR 210.A N ALA 233.A O no hydrogen 3.071 N/A ALA 214.A N THR 212.A OG1 no hydrogen 3.176 N/A ALA 217.A N GLY 213.A O no hydrogen 2.943 N/A VAL 218.A N ALA 214.A O no hydrogen 3.076 N/A ALA 219.A N LYS 216.A O no hydrogen 3.262 N/A LEU 220.A N ALA 217.A O no hydrogen 2.819 N/A VAL 221.A N VAL 218.A O no hydrogen 3.090 N/A LEU 222.A N VAL 218.A O no hydrogen 2.834 N/A ASN 224.A ND2 ASP 167.A OD2 no hydrogen 2.393 N/A LEU 225.A N LEU 222.A O no hydrogen 2.910 N/A LYS 226.A N PRO 223.A O no hydrogen 2.817 N/A LYS 228.A N LEU 225.A O no hydrogen 3.200 N/A LYS 228.A NZ ASN 224.A O no hydrogen 2.449 N/A ASN 230.A N GLY 175.A O no hydrogen 3.444 N/A ILE 232.A N MET 177.A O no hydrogen 2.926 N/A ALA 233.A N THR 210.A O no hydrogen 3.008 N/A LEU 234.A N THR 179.A O no hydrogen 2.980 N/A ARG 235.A N VAL 208.A O no hydrogen 2.953 N/A ARG 235.A NH1 THR 184.A OG1 no hydrogen 2.739 N/A ARG 235.A NH1 GLN 187.A OE1 no hydrogen 2.800 N/A VAL 236.A N HIS 181.A O no hydrogen 2.855 N/A THR 238.A N VAL 236.A O no hydrogen 2.649 N/A THR 238.A OG1 SER 182.A OG no hydrogen 2.960 N/A ASN 240.A ND2 ASP 316.A OD1 no hydrogen 2.785 N/A ASN 240.A ND2 ASP 316.A OD2 no hydrogen 3.082 N/A VAL 241.A N ASN 317.A OD1 no hydrogen 2.873 N/A SER 242.A N TYR 315.A O no hydrogen 2.808 N/A SER 242.A OG ASN 317.A OD1 no hydrogen 3.029 N/A VAL 243.A N THR 180.A O no hydrogen 3.058 N/A VAL 244.A N ALA 313.A O no hydrogen 3.092 N/A ASP 245.A N THR 178.A O no hydrogen 2.732 N/A LEU 246.A N VAL 311.A O no hydrogen 2.932 N/A VAL 247.A N THR 176.A O no hydrogen 3.063 N/A VAL 248.A N VAL 309.A O no hydrogen 2.839 N/A GLN 249.A N LYS 174.A O no hydrogen 2.833 N/A VAL 250.A N ASP 307.A O no hydrogen 2.919 N/A SER 251.A N PHE 170.A O no hydrogen 2.997 N/A SER 251.A N GLY 171.A O no hydrogen 2.881 N/A SER 251.A OG GLY 171.A O no hydrogen 3.466 N/A LYS 252.A N PHE 170.A O no hydrogen 3.044 N/A LYS 252.A NZ GLU 258.A OE1 no hydrogen 3.207 N/A THR 254.A N ASP 306.A O no hydrogen 2.824 N/A THR 254.A OG1 PHE 255.A O no hydrogen 3.384 N/A THR 254.A OG1 GLU 258.A OE1 no hydrogen 2.669 N/A PHE 255.A N THR 254.A OG1 no hydrogen 2.649 N/A GLU 258.A N PHE 255.A O no hydrogen 2.834 N/A VAL 259.A N PHE 255.A O no hydrogen 3.271 N/A ASN 260.A N ALA 256.A O no hydrogen 3.150 N/A ASN 260.A ND2 THR 301.A OG1 no hydrogen 2.662 N/A ALA 261.A N GLU 257.A O no hydrogen 3.030 N/A ALA 262.A N GLU 258.A O no hydrogen 3.112 N/A PHE 263.A N VAL 259.A O no hydrogen 3.114 N/A ARG 264.A N ASN 260.A O no hydrogen 2.875 N/A ARG 264.A NH2 ASP 279.A OD1 no hydrogen 2.781 N/A ASP 265.A N ALA 261.A O no hydrogen 2.873 N/A SER 266.A N ALA 262.A O no hydrogen 2.851 N/A SER 266.A OG ALA 262.A O no hydrogen 3.368 N/A SER 266.A OG GLU 270.A OE1 no hydrogen 3.254 N/A ALA 267.A N PHE 263.A O no hydrogen 2.551 N/A GLU 268.A N ARG 264.A O no hydrogen 2.951 N/A GLU 268.A N ASP 265.A O no hydrogen 3.032 N/A LYS 269.A N SER 266.A O no hydrogen 2.892 N/A LEU 271.A N SER 266.A O no hydrogen 3.040 N/A LYS 272.A N LYS 269.A O no hydrogen 3.396 N/A ILE 274.A N LEU 271.A O no hydrogen 2.704 N/A LEU 275.A N LEU 271.A O no hydrogen 2.805 N/A ASP 276.A N THR 294.A O no hydrogen 2.877 N/A VAL 277.A N ASP 276.A OD2 no hydrogen 2.879 N/A CYS 278.A N ILE 296.A O no hydrogen 2.594 N/A CYS 278.A SG GLU 280.A O no hydrogen 3.588 N/A VAL 283.A N ASP 286.A OD2 no hydrogen 2.676 N/A ASP 286.A N VAL 283.A O no hydrogen 2.935 N/A PHE 287.A N SER 284.A O no hydrogen 3.110 N/A ARG 288.A N VAL 285.A O no hydrogen 2.885 N/A CYS 289.A N ASP 316.A OD2 no hydrogen 2.822 N/A SER 290.A N PHE 287.A O no hydrogen 3.400 N/A PHE 292.A N SER 290.A OG no hydrogen 3.147 N/A SER 293.A N ILE 274.A O no hydrogen 3.008 N/A THR 294.A N ILE 274.A O no hydrogen 3.351 N/A THR 295.A N TRP 314.A O no hydrogen 3.050 N/A ILE 296.A N ASP 276.A O no hydrogen 2.627 N/A ASP 297.A N ILE 312.A O no hydrogen 2.892 N/A SER 298.A OG CYS 278.A O no hydrogen 2.943 N/A SER 298.A OG ASP 279.A OD1 no hydrogen 2.535 N/A LEU 300.A N ASP 297.A O no hydrogen 2.752 N/A THR 301.A N SER 298.A O no hydrogen 3.278 N/A THR 301.A OG1 SER 298.A O no hydrogen 3.248 N/A MET 302.A N LYS 310.A O no hydrogen 3.047 N/A MET 304.A N MET 308.A O no hydrogen 2.979 N/A VAL 309.A N VAL 248.A O no hydrogen 2.806 N/A LYS 310.A N MET 302.A O no hydrogen 2.807 N/A LYS 310.A NZ ASP 245.A OD1 no hydrogen 3.097 N/A LYS 310.A NZ ASP 245.A OD2 no hydrogen 3.501 N/A VAL 311.A N LEU 246.A O no hydrogen 2.804 N/A ALA 313.A N VAL 244.A O no hydrogen 3.299 N/A TRP 314.A N THR 295.A O no hydrogen 2.757 N/A TRP 314.A NE1 ASP 297.A OD2 no hydrogen 2.793 N/A TYR 315.A N SER 242.A O no hydrogen 3.038 N/A TYR 315.A OH THR 155.A OG1 no hydrogen 2.744 N/A GLU 318.A N ASN 240.A OD1 no hydrogen 3.498 N/A TRP 319.A N ASP 316.A OD1 no hydrogen 2.782 N/A TRP 319.A NE1 ASP 291.A OD1 no hydrogen 2.975 N/A GLY 320.A N ASP 316.A O no hydrogen 2.780 N/A TYR 321.A OH ALA 152.A O no hydrogen 2.575 N/A SER 322.A N GLU 318.A O no hydrogen 3.048 N/A SER 322.A OG GLU 318.A O no hydrogen 2.853 N/A GLN 323.A N TRP 319.A O no hydrogen 3.054 N/A GLN 323.A NE2 ASP 291.A OD1 no hydrogen 2.776 N/A ARG 324.A N GLY 320.A O no hydrogen 3.162 N/A ARG 324.A NE ASP 327.A OD2 no hydrogen 2.681 N/A ARG 324.A NH1 ASP 291.A O no hydrogen 2.699 N/A ARG 324.A NH1 SER 293.A OG no hydrogen 2.810 N/A ARG 324.A NH2 ASP 291.A O no hydrogen 2.808 N/A ARG 324.A NH2 ASP 327.A OD2 no hydrogen 3.177 N/A VAL 325.A N TYR 321.A O no hydrogen 2.925 N/A VAL 326.A N SER 322.A O no hydrogen 2.932 N/A ASP 327.A N GLN 323.A O no hydrogen 3.001 N/A LEU 328.A N ARG 324.A O no hydrogen 2.910 N/A ALA 329.A N VAL 325.A O no hydrogen 3.015 N/A ASP 330.A N VAL 326.A O no hydrogen 2.794 N/A ILE 331.A N ASP 327.A O no hydrogen 2.958 N/A VAL 332.A N LEU 328.A O no hydrogen 2.883 N/A ALA 333.A N ALA 329.A O no hydrogen 2.865 N/A ASN 334.A N ILE 331.A O no hydrogen 3.228 N/A ASN 335.A N VAL 332.A O no hydrogen 3.339 N/A ASN 335.A ND2 ILE 331.A O no hydrogen 2.783 N/A TRP 21A.A N PHE 17.A O no hydrogen 2.839 N/A TRP 21A.A NE1 LEU 29.A O no hydrogen 3.114 N/A LYS 127A.A N VAL 104.A O no hydrogen 2.753 N/A HIS 22B.A N LEU 18.A O no hydrogen 2.849 N/A