Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pkq_O.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N PRO 27.A O no hydrogen 3.094 N/A LEU 2.A N PRO 27.A O no hydrogen 2.815 N/A LYS 3.A N ASP 93.A OD2 no hydrogen 3.286 N/A LYS 3.A NZ LEU 90.A O no hydrogen 3.403 N/A VAL 4.A N ASP 29.A O no hydrogen 2.867 N/A ALA 5.A N ILE 94.A O no hydrogen 2.821 N/A ILE 6.A N VAL 32.A O no hydrogen 3.011 N/A ASN 7.A N ILE 96.A O no hydrogen 3.145 N/A ASN 7.A ND2 GLU 97.A OE2 no hydrogen 2.909 N/A ARG 11.A NE GLU 320.A OE1 no hydrogen 2.729 N/A ARG 11.A NE GLU 320.A OE2 no hydrogen 3.265 N/A ARG 11.A NH1 ASP 49.A OD2 no hydrogen 2.511 N/A ARG 11.A NH2 ASP 49.A OD1 no hydrogen 3.090 N/A ARG 11.A NH2 GLU 320.A OE1 no hydrogen 2.585 N/A GLY 13.A N GLY 10.A O no hydrogen 2.522 N/A ARG 14.A NE LEU 45.A O no hydrogen 3.063 N/A ARG 14.A NH2 LEU 45.A O no hydrogen 3.566 N/A ASN 15.A N ARG 11.A O no hydrogen 2.457 N/A ASN 15.A ND2 ARG 11.A O no hydrogen 3.001 N/A ASN 15.A ND2 GLU 320.A OE1 no hydrogen 3.205 N/A PHE 16.A N ILE 12.A O no hydrogen 2.895 N/A LEU 17.A N GLY 13.A O no hydrogen 3.049 N/A ARG 18.A N ARG 14.A O no hydrogen 2.969 N/A ARG 18.A NH2 GLY 53.A O no hydrogen 2.991 N/A CYS 19.A N ASN 15.A O no hydrogen 2.977 N/A CYS 19.A SG ASN 15.A O no hydrogen 2.952 N/A SER 26.A OG ASP 332.A OD1 no hydrogen 2.581 N/A VAL 31.A N VAL 4.A O no hydrogen 2.948 N/A VAL 33.A N LYS 75.A O no hydrogen 3.124 N/A ASN 34.A N ILE 6.A O no hydrogen 2.988 N/A ASN 34.A ND2 ASN 7.A OD1 no hydrogen 2.733 N/A ASN 34.A ND2 ASN 79.A O no hydrogen 3.318 N/A GLY 37.A N ASP 35.A O no hydrogen 2.440 N/A GLY 38.A N ASP 35.A O no hydrogen 3.386 N/A ALA 42.A N GLY 38.A O no hydrogen 3.058 N/A THR 43.A N VAL 39.A O no hydrogen 2.703 N/A THR 43.A N LYS 40.A O no hydrogen 2.710 N/A THR 43.A OG1 VAL 39.A O no hydrogen 2.716 N/A HIS 44.A N LYS 40.A O no hydrogen 2.987 N/A LEU 46.A N THR 43.A O no hydrogen 2.513 N/A LYS 47.A N THR 43.A O no hydrogen 3.045 N/A LYS 47.A N HIS 44.A O no hydrogen 2.941 N/A LYS 47.A NZ PHE 55.A O no hydrogen 2.953 N/A LYS 47.A NZ ALA 57.A O no hydrogen 3.038 N/A TYR 48.A N HIS 44.A O no hydrogen 2.823 N/A ILE 51.A N ASP 49.A OD1 no hydrogen 2.676 N/A LEU 52.A N ASP 49.A OD1 no hydrogen 2.664 N/A GLY 53.A N ASP 49.A O no hydrogen 2.648 N/A PHE 55.A N LYS 47.A O no hydrogen 2.602 N/A ALA 57.A N PHE 55.A O no hydrogen 2.995 N/A LYS 60.A N SER 68.A O no hydrogen 3.074 N/A ILE 62.A N THR 66.A O no hydrogen 3.210 N/A ASN 64.A N ASP 63A.A OD1 no hydrogen 3.132 N/A SER 68.A N LYS 60.A O no hydrogen 2.750 N/A SER 68.A OG LYS 60.A O no hydrogen 3.504 N/A ILE 69.A N LYS 72.A O no hydrogen 3.065 N/A ASP 70.A N ASP 58.A O no hydrogen 2.779 N/A ILE 74.A N PHE 67.A O no hydrogen 2.859 N/A LYS 75.A N VAL 31.A O no hydrogen 2.944 N/A LYS 75.A NZ THR 66.A OG1 no hydrogen 3.421 N/A VAL 76.A N GLU 65.A O no hydrogen 3.402 N/A VAL 77.A N VAL 33.A O no hydrogen 2.992 N/A ASN 79.A N ASN 34.A OD1 no hydrogen 3.063 N/A ASP 81.A N ASN 79.A OD1 no hydrogen 3.340 N/A LEU 83.A N ASP 81.A OD1 no hydrogen 3.354 N/A LYS 84.A N ASP 81.A O no hydrogen 2.752 N/A LEU 85.A N PRO 82.A O no hydrogen 2.663 N/A TRP 87.A NE1 HIS 111.A ND1 no hydrogen 2.788 N/A ALA 88.A N ALA 114.A O no hydrogen 3.265 N/A LEU 90.A N PRO 86.A O no hydrogen 2.870 N/A GLY 91.A N TRP 87.A O no hydrogen 2.669 N/A ILE 92.A N TRP 87.A O no hydrogen 2.762 N/A ASP 93.A N LYS 3.A O no hydrogen 2.931 N/A ILE 94.A N LYS 3.A O no hydrogen 3.172 N/A VAL 95.A N LYS 118.A O no hydrogen 2.955 N/A ILE 96.A N ALA 5.A O no hydrogen 3.026 N/A GLU 97.A N ILE 120.A O no hydrogen 2.900 N/A GLY 98.A N ASN 7.A O no hydrogen 2.892 N/A THR 99.A N GLU 97.A OE1 no hydrogen 3.252 N/A THR 99.A OG1 GLU 97.A OE1 no hydrogen 2.941 N/A VAL 101.A N THR 99.A OG1 no hydrogen 3.060 N/A GLY 107.A N ASP 104.A OD1 no hydrogen 2.560 N/A ALA 108.A N ASP 104.A O no hydrogen 3.037 N/A GLY 109.A N GLY 105.A O no hydrogen 3.001 N/A LYS 110.A N GLY 107.A O no hydrogen 2.480 N/A HIS 111.A N ALA 108.A O no hydrogen 3.334 N/A HIS 111.A NE2 GLU 97.A OE2 no hydrogen 3.387 N/A ILE 112.A N GLY 109.A O no hydrogen 2.625 N/A GLN 113.A N GLY 109.A O no hydrogen 3.210 N/A ALA 114.A N LYS 110.A O no hydrogen 3.161 N/A GLY 115.A N ILE 112.A O no hydrogen 2.797 N/A ALA 116.A N HIS 111.A O no hydrogen 2.930 N/A LYS 117.A N ILE 92.A O no hydrogen 3.296 N/A LYS 117.A NZ ASP 93.A OD1 no hydrogen 2.957 N/A LYS 118.A N ASP 93.A O no hydrogen 2.895 N/A LYS 118.A NZ ASN 148.A OD1 no hydrogen 2.722 N/A VAL 119.A N ASN 148.A O no hydrogen 2.911 N/A ILE 120.A N VAL 95.A O no hydrogen 2.908 N/A ILE 121.A N ILE 150.A O no hydrogen 2.747 N/A THR 122.A N GLU 97.A O no hydrogen 3.153 N/A THR 122.A OG1 GLU 97.A O no hydrogen 3.069 N/A TYR 133.A N SER 151.A O no hydrogen 2.928 N/A TYR 133.A OH ASP 141.A O no hydrogen 3.286 N/A GLY 136.A N GLU 139.A OE1 no hydrogen 3.284 N/A VAL 137.A N VAL 134.A O no hydrogen 2.837 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 3.080 N/A TYR 142.A N GLU 139.A O no hydrogen 2.956 N/A VAL 146.A N GLY 143.A O no hydrogen 3.000 N/A ILE 150.A N VAL 119.A O no hydrogen 3.048 N/A SER 151.A N PRO 131.A O no hydrogen 2.892 N/A SER 151.A OG ALA 123.A O no hydrogen 2.400 N/A ASN 152.A N ILE 121.A O no hydrogen 3.131 N/A ALA 153.A N SER 151.A OG no hydrogen 3.171 N/A THR 156.A N SER 154.A OG no hydrogen 3.276 N/A THR 156.A OG1 TYR 317.A OH no hydrogen 3.272 N/A THR 157.A OG1 ALA 215.A O no hydrogen 2.488 N/A ASN 158.A N SER 154.A O no hydrogen 2.784 N/A ASN 158.A ND2 ASN 158.A O no hydrogen 2.642 N/A CYS 159.A N THR 156.A O no hydrogen 2.753 N/A CYS 159.A SG SER 296.A OG no hydrogen 3.206 N/A LEU 160.A N THR 156.A O no hydrogen 2.816 N/A ALA 161.A N THR 157.A O no hydrogen 2.960 N/A VAL 164.A N LEU 160.A O no hydrogen 2.909 N/A VAL 164.A N ALA 161.A O no hydrogen 2.820 N/A LYS 165.A N ALA 161.A O no hydrogen 2.783 N/A LYS 165.A NZ GLU 169.A OE1 no hydrogen 2.957 N/A LYS 165.A NZ GLU 169.A OE2 no hydrogen 2.627 N/A VAL 166.A N PRO 162.A O no hydrogen 3.457 N/A LEU 167.A N PHE 163.A O no hydrogen 3.288 N/A ASP 168.A N VAL 164.A O no hydrogen 3.112 N/A GLU 169.A N LYS 165.A O no hydrogen 2.818 N/A GLU 170.A N LEU 167.A O no hydrogen 3.432 N/A LEU 171.A N ASP 168.A O no hydrogen 3.509 N/A GLY 172.A N ASP 168.A O no hydrogen 2.859 N/A ILE 173.A N ASP 168.A OD1 no hydrogen 2.614 N/A GLY 176.A N LYS 229.A O no hydrogen 3.290 N/A THR 177.A N VAL 248.A O no hydrogen 3.267 N/A THR 177.A OG1 ASN 231.A O no hydrogen 3.454 N/A THR 179.A N ASP 246.A O no hydrogen 3.131 N/A THR 180.A OG1 VAL 244.A O no hydrogen 3.151 N/A THR 180.A OG1 TYR 317.A OH no hydrogen 3.184 N/A HIS 182.A N LEU 235.A O no hydrogen 2.681 N/A SER 183.A N SER 243.A OG no hydrogen 2.757 N/A SER 183.A OG VAL 242.A O no hydrogen 2.578 N/A SER 183.A OG SER 243.A OG no hydrogen 3.303 N/A THR 185.A OG1 ASP 187.A OD1 no hydrogen 2.734 N/A GLN 188.A N THR 185.A O no hydrogen 2.674 N/A ARG 189.A N ARG 200.A O no hydrogen 2.882 N/A ARG 189.A NH2 GLU 346.A OE2 no hydrogen 2.614 N/A ALA 193.A N ALA 201.A O no hydrogen 3.072 N/A ASP 197.A N HIS 195.A ND1 no hydrogen 2.788 N/A ARG 199.A N ASP 197.A OD1 no hydrogen 3.020 N/A ARG 200.A NE ASP 197.A OD2 no hydrogen 2.881 N/A ALA 201.A N ASP 197.A O no hydrogen 3.117 N/A ARG 202.A N ARG 199.A O no hydrogen 3.075 N/A ARG 202.A NE ASP 192.A OD2 no hydrogen 2.456 N/A ALA 203.A N ASP 192.A OD1 no hydrogen 2.739 N/A ALA 204.A N ARG 189.A O no hydrogen 2.884 N/A LEU 206.A N ALA 203.A O no hydrogen 2.972 N/A ASN 207.A ND2 ALA 203.A O no hydrogen 3.228 N/A VAL 209.A N ARG 236.A O no hydrogen 2.623 N/A THR 211.A N ALA 234.A O no hydrogen 2.999 N/A ALA 215.A N THR 213.A OG1 no hydrogen 3.308 N/A ALA 218.A N GLY 214.A O no hydrogen 3.034 N/A VAL 219.A N ALA 216.A O no hydrogen 3.183 N/A SER 220.A N LYS 217.A O no hydrogen 2.872 N/A SER 220.A OG LYS 217.A O no hydrogen 3.035 N/A VAL 222.A N VAL 219.A O no hydrogen 2.955 N/A LEU 223.A N VAL 219.A O no hydrogen 2.871 N/A LEU 226.A N LEU 223.A O no hydrogen 3.045 N/A LYS 227.A N PRO 224.A O no hydrogen 2.583 N/A LEU 235.A N THR 180.A O no hydrogen 2.825 N/A ARG 236.A N VAL 209.A O no hydrogen 2.703 N/A ARG 236.A NH1 ASP 187.A OD1 no hydrogen 3.442 N/A ARG 236.A NH1 GLN 188.A OE1 no hydrogen 3.216 N/A VAL 237.A N HIS 182.A O no hydrogen 3.079 N/A THR 239.A OG1 ASN 241.A O no hydrogen 3.486 N/A ASN 241.A ND2 ASP 318.A OD1 no hydrogen 3.531 N/A ASN 241.A ND2 ASP 318.A OD2 no hydrogen 3.022 N/A VAL 242.A N ASN 319.A OD1 no hydrogen 3.035 N/A SER 243.A N TYR 317.A O no hydrogen 2.896 N/A SER 243.A OG HIS 182.A ND1 no hydrogen 2.780 N/A SER 243.A OG SER 183.A OG no hydrogen 3.303 N/A SER 243.A OG ASN 319.A OD1 no hydrogen 3.047 N/A VAL 244.A N THR 181.A O no hydrogen 3.010 N/A VAL 245.A N ALA 315.A O no hydrogen 3.021 N/A ASP 246.A N THR 179.A O no hydrogen 2.664 N/A LEU 247.A N VAL 313.A O no hydrogen 3.033 N/A VAL 248.A N THR 177.A O no hydrogen 2.883 N/A ASN 250.A N LYS 175.A O no hydrogen 3.204 N/A GLU 252.A N GLY 172.A O no hydrogen 2.771 N/A LYS 253.A N LEU 171.A O no hydrogen 3.049 N/A THR 257.A N ASP 260.A OD2 no hydrogen 2.922 N/A VAL 261.A N ALA 258.A O no hydrogen 2.582 N/A ASN 262.A N ALA 258.A O no hydrogen 3.473 N/A ASN 262.A ND2 SER 300.A O no hydrogen 3.440 N/A ASN 263.A N GLU 259.A O no hydrogen 3.327 N/A ASN 263.A ND2 GLU 259.A O no hydrogen 2.965 N/A ALA 264.A N ASP 260.A O no hydrogen 3.143 N/A ALA 264.A N VAL 261.A O no hydrogen 2.949 N/A ARG 266.A N ASN 262.A O no hydrogen 2.939 N/A ARG 266.A NH2 GLU 259.A OE2 no hydrogen 2.657 N/A LYS 267.A N ASN 263.A O no hydrogen 2.692 N/A ALA 268.A N ALA 264.A O no hydrogen 2.678 N/A ALA 269.A N PHE 265.A O no hydrogen 2.412 N/A ALA 270.A N ARG 266.A O no hydrogen 3.354 N/A LEU 273.A N ALA 268.A O no hydrogen 2.900 N/A LYS 274.A NZ ALA 270.A O no hydrogen 3.133 N/A VAL 276.A N LEU 273.A O no hydrogen 2.780 N/A LEU 277.A N LEU 273.A O no hydrogen 2.914 N/A CYS 280.A N ILE 298.A O no hydrogen 3.189 N/A CYS 280.A SG ILE 282.A O no hydrogen 3.509 N/A VAL 285.A N ASP 288.A OD2 no hydrogen 2.931 N/A ASP 288.A N VAL 285.A O no hydrogen 2.681 N/A PHE 289.A N SER 286.A O no hydrogen 2.677 N/A CYS 291.A N ASP 318.A OD2 no hydrogen 3.244 N/A PHE 294.A N SER 292.A OG no hydrogen 3.413 N/A SER 296.A N VAL 276.A O no hydrogen 3.153 N/A SER 296.A OG CYS 159.A O no hydrogen 2.798 N/A THR 297.A N TRP 316.A O no hydrogen 2.856 N/A THR 297.A OG1 TRP 316.A O no hydrogen 3.544 N/A ILE 298.A N ASP 278.A O no hydrogen 3.035 N/A ASP 299.A N VAL 314.A O no hydrogen 3.021 N/A SER 300.A N CYS 280.A O no hydrogen 3.403 N/A SER 300.A OG ASP 281.A OD1 no hydrogen 2.632 N/A SER 301.A OG ASP 299.A OD1 no hydrogen 3.144 N/A LEU 302.A N ASP 299.A O no hydrogen 2.729 N/A THR 303.A N ASP 299.A O no hydrogen 3.358 N/A THR 303.A N SER 300.A O no hydrogen 2.976 N/A THR 303.A OG1 ASN 262.A OD1 no hydrogen 3.337 N/A THR 303.A OG1 SER 300.A O no hydrogen 3.296 N/A MET 304.A N LYS 312.A O no hydrogen 3.077 N/A MET 306.A N MET 310.A O no hydrogen 2.724 N/A ASP 309.A N GLY 307.A O no hydrogen 2.576 N/A VAL 311.A N VAL 249.A O no hydrogen 3.186 N/A VAL 313.A N LEU 247.A O no hydrogen 2.925 N/A ALA 315.A N VAL 245.A O no hydrogen 3.105 N/A TRP 316.A N THR 297.A O no hydrogen 2.400 N/A TRP 316.A NE1 ASP 299.A OD2 no hydrogen 2.823 N/A TYR 317.A N SER 243.A O no hydrogen 3.070 N/A TYR 317.A OH THR 156.A OG1 no hydrogen 3.272 N/A TYR 317.A OH THR 180.A OG1 no hydrogen 3.184 N/A TRP 321.A N ASP 318.A OD1 no hydrogen 2.581 N/A TYR 323.A OH ALA 153.A O no hydrogen 2.971 N/A SER 324.A N GLU 320.A O no hydrogen 3.099 N/A SER 324.A OG ILE 12.A O no hydrogen 3.161 N/A SER 324.A OG GLU 320.A O no hydrogen 3.128 N/A GLN 325.A N TRP 321.A O no hydrogen 2.751 N/A GLN 325.A NE2 GLN 325.A O no hydrogen 3.359 N/A ARG 326.A N GLY 322.A O no hydrogen 2.975 N/A ARG 326.A NH1 ASP 293.A O no hydrogen 3.140 N/A ARG 326.A NH1 SER 295.A OG no hydrogen 2.823 N/A ARG 326.A NH2 ASP 329.A OD2 no hydrogen 3.089 N/A VAL 327.A N TYR 323.A O no hydrogen 2.765 N/A VAL 328.A N SER 324.A O no hydrogen 3.140 N/A VAL 328.A N GLN 325.A O no hydrogen 3.146 N/A ASP 329.A N GLN 325.A O no hydrogen 3.174 N/A ASP 329.A N ARG 326.A O no hydrogen 2.584 N/A LEU 330.A N ARG 326.A O no hydrogen 2.649 N/A LEU 333.A N ASP 329.A O no hydrogen 2.731 N/A ASN 336.A N ASP 332.A O no hydrogen 3.212 N/A ASN 336.A N LEU 333.A O no hydrogen 2.477 N/A LYS 337.A N LEU 333.A O no hydrogen 3.021 N/A TRP 20A.A N PHE 16.A O no hydrogen 2.920 N/A LYS 126A.A N VAL 103.A O no hydrogen 2.707 N/A SER 128A.A N ASP 129.A OD1 no hydrogen 3.446 N/A HIS 21B.A N LEU 17.A O no hydrogen 2.952 N/A