Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pkq_P.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N PRO 27.A O no hydrogen 3.330 N/A LEU 2.A N PRO 27.A O no hydrogen 2.988 N/A LYS 3.A NZ MET 90.A O no hydrogen 3.203 N/A VAL 4.A N ASP 29.A O no hydrogen 2.690 N/A ALA 5.A N LEU 94.A O no hydrogen 2.810 N/A ILE 6.A N VAL 32.A O no hydrogen 3.074 N/A ASN 7.A N ILE 96.A O no hydrogen 3.190 N/A ASN 7.A ND2 GLU 97.A OE2 no hydrogen 2.969 N/A GLY 8.A N ASN 34.A O no hydrogen 2.811 N/A GLY 10.A N GLY 8.A O no hydrogen 2.597 N/A ARG 11.A NE GLU 317.A OE1 no hydrogen 3.212 N/A ARG 11.A NE GLU 317.A OE2 no hydrogen 3.539 N/A ARG 11.A NH1 ASP 49.A OD1 no hydrogen 3.402 N/A ARG 11.A NH1 ASP 49.A OD2 no hydrogen 2.489 N/A ARG 11.A NH2 ASP 49.A OD1 no hydrogen 3.247 N/A ARG 11.A NH2 GLU 317.A OE1 no hydrogen 2.636 N/A ARG 14.A N GLY 10.A O no hydrogen 2.859 N/A ARG 14.A NE LEU 45.A O no hydrogen 2.978 N/A ARG 14.A NH1 PHE 9.A O no hydrogen 3.303 N/A ASN 15.A N ARG 11.A O no hydrogen 2.840 N/A ASN 15.A ND2 ARG 11.A O no hydrogen 3.596 N/A PHE 16.A N ILE 12.A O no hydrogen 3.050 N/A LEU 17.A N GLY 13.A O no hydrogen 3.112 N/A ARG 18.A N ARG 14.A O no hydrogen 2.939 N/A ARG 18.A NH1 GLY 53.A O no hydrogen 3.473 N/A ARG 18.A NH2 GLY 53.A O no hydrogen 3.105 N/A CYS 19.A N ASN 15.A O no hydrogen 3.027 N/A CYS 19.A SG TRP 318.A O no hydrogen 3.837 N/A CYS 19.A SG GLN 322.A OE1 no hydrogen 2.891 N/A GLY 22.A N ARG 18.A O no hydrogen 3.315 N/A ARG 23.A N TRP 20A.A O no hydrogen 2.654 N/A ARG 23.A NH2 GLN 322.A O no hydrogen 3.068 N/A LEU 28.A N SER 26.A OG no hydrogen 3.087 N/A VAL 31.A N VAL 4.A O no hydrogen 3.092 N/A ILE 33.A N LYS 75.A O no hydrogen 2.635 N/A ASN 34.A N ILE 6.A O no hydrogen 2.881 N/A ASN 34.A ND2 ASN 7.A OD1 no hydrogen 2.524 N/A ASN 34.A ND2 ASP 79.A O no hydrogen 3.533 N/A ASP 35.A N VAL 77.A O no hydrogen 3.447 N/A GLY 37.A N ASP 35.A OD1 no hydrogen 3.019 N/A ALA 42.A N GLY 38.A O no hydrogen 3.049 N/A SER 43.A N VAL 39.A O no hydrogen 3.007 N/A HIS 44.A N LYS 40.A O no hydrogen 3.071 N/A LEU 45.A N GLN 41.A O no hydrogen 3.397 N/A LEU 46.A N SER 43.A O no hydrogen 2.774 N/A LYS 47.A N SER 43.A O no hydrogen 3.025 N/A LYS 47.A N HIS 44.A O no hydrogen 2.798 N/A LYS 47.A NZ PHE 55.A O no hydrogen 3.391 N/A LYS 47.A NZ ALA 57.A O no hydrogen 2.504 N/A TYR 48.A N HIS 44.A O no hydrogen 2.704 N/A LEU 52.A N ASP 49.A OD1 no hydrogen 3.314 N/A PHE 55.A N LYS 47.A O no hydrogen 2.685 N/A ASP 58.A N ASP 70.A OD1 no hydrogen 2.964 N/A LYS 60.A N SER 68.A O no hydrogen 3.146 N/A ILE 67.A N ILE 74.A O no hydrogen 2.768 N/A SER 68.A N LYS 60.A O no hydrogen 2.804 N/A VAL 69.A N LYS 72.A O no hydrogen 3.043 N/A ASP 70.A N ASP 58.A O no hydrogen 3.023 N/A ILE 74.A N ILE 67.A O no hydrogen 2.983 N/A LYS 75.A N VAL 31.A O no hydrogen 3.012 N/A VAL 76.A N SER 65.A O no hydrogen 2.908 N/A VAL 77.A N ILE 33.A O no hydrogen 2.899 N/A SER 78.A OG ASP 35.A O no hydrogen 2.496 N/A SER 78.A OG GLY 37.A O no hydrogen 3.386 N/A SER 78.A OG VAL 77.A O no hydrogen 2.460 N/A ASP 79.A N ASN 34.A OD1 no hydrogen 3.186 N/A ARG 80.A NE THR 36.A OG1 no hydrogen 3.366 N/A ASN 84.A N ASN 81.A O no hydrogen 3.286 N/A LEU 85.A N PRO 82.A O no hydrogen 2.582 N/A TRP 87.A N LEU 85.A O no hydrogen 2.810 N/A TRP 87.A NE1 HIS 111.A ND1 no hydrogen 2.804 N/A GLY 88.A N ALA 114.A O no hydrogen 2.533 N/A MET 90.A N PRO 86.A O no hydrogen 3.105 N/A GLY 91.A N GLY 88.A O no hydrogen 3.015 N/A ILE 92.A N TRP 87.A O no hydrogen 2.751 N/A ASP 93.A N LYS 3.A O no hydrogen 3.255 N/A LEU 94.A N LYS 3.A O no hydrogen 3.172 N/A VAL 95.A N LYS 118.A O no hydrogen 2.934 N/A ILE 96.A N ALA 5.A O no hydrogen 2.819 N/A GLU 97.A N LEU 120.A O no hydrogen 2.848 N/A GLY 98.A N ASN 7.A O no hydrogen 2.806 N/A THR 99.A OG1 GLU 97.A OE1 no hydrogen 2.457 N/A VAL 101.A N THR 99.A OG1 no hydrogen 3.123 N/A VAL 103.A N VAL 101.A O no hydrogen 3.027 N/A ARG 105.A NE ASP 128.A O no hydrogen 2.807 N/A ARG 105.A NH2 ASP 128.A O no hydrogen 2.906 N/A GLY 107.A N ASP 104.A OD1 no hydrogen 2.516 N/A ALA 108.A N ASP 104.A O no hydrogen 2.880 N/A GLY 109.A N ARG 105.A O no hydrogen 3.019 N/A LYS 110.A N GLY 107.A O no hydrogen 2.901 N/A HIS 111.A N ALA 108.A O no hydrogen 3.053 N/A HIS 111.A NE2 GLU 97.A OE2 no hydrogen 2.959 N/A GLN 113.A N GLY 109.A O no hydrogen 3.118 N/A ALA 114.A N LYS 110.A O no hydrogen 3.119 N/A GLY 115.A N LEU 112.A O no hydrogen 2.911 N/A ALA 116.A N HIS 111.A O no hydrogen 3.064 N/A LYS 117.A N ILE 92.A O no hydrogen 2.979 N/A LYS 117.A NZ ASP 93.A OD2 no hydrogen 3.144 N/A LYS 118.A N ASP 93.A O no hydrogen 3.018 N/A LYS 118.A NZ HIS 143.A O no hydrogen 2.906 N/A LYS 118.A NZ ASP 145.A O no hydrogen 2.645 N/A VAL 119.A N THR 146.A O no hydrogen 2.931 N/A LEU 120.A N VAL 95.A O no hydrogen 2.736 N/A ILE 121.A N ILE 148.A O no hydrogen 2.740 N/A THR 122.A N GLU 97.A O no hydrogen 3.157 N/A THR 122.A OG1 GLU 97.A O no hydrogen 3.076 N/A THR 131.A OG1 ILE 129.A O no hydrogen 3.501 N/A THR 131.A OG1 SER 149.A OG no hydrogen 3.336 N/A TYR 132.A N SER 149.A O no hydrogen 3.058 N/A TYR 132.A OH ASP 145.A OD2 no hydrogen 2.929 N/A GLY 135.A N GLU 138.A OE1 no hydrogen 3.382 N/A VAL 136.A N VAL 133.A O no hydrogen 2.594 N/A GLU 138.A N GLU 138.A OE1 no hydrogen 2.327 N/A GLY 140.A N ASN 137.A O no hydrogen 3.046 N/A TYR 141.A N GLU 138.A O no hydrogen 3.278 N/A THR 142.A N ASP 145.A OD2 no hydrogen 3.271 N/A THR 142.A OG1 ASP 145.A OD2 no hydrogen 2.995 N/A HIS 143.A NE2 ALA 337.A OXT no hydrogen 2.686 N/A ASP 145.A N THR 142.A O no hydrogen 2.964 N/A ILE 148.A N VAL 119.A O no hydrogen 3.297 N/A SER 149.A N PRO 130.A O no hydrogen 2.873 N/A SER 149.A OG THR 131.A OG1 no hydrogen 3.336 N/A ASN 150.A N ILE 121.A O no hydrogen 3.159 N/A ALA 151.A N SER 149.A OG no hydrogen 3.373 N/A CYS 153.A SG HIS 180.A NE2 no hydrogen 3.540 N/A THR 154.A OG1 TYR 314.A OH no hydrogen 3.120 N/A THR 155.A OG1 SER 152.A OG no hydrogen 2.872 N/A ASN 156.A N SER 152.A O no hydrogen 3.013 N/A ASN 156.A ND2 ASN 156.A O no hydrogen 3.137 N/A CYS 157.A N THR 154.A O no hydrogen 2.643 N/A CYS 157.A SG SER 293.A OG no hydrogen 3.169 N/A LEU 158.A N THR 154.A O no hydrogen 2.873 N/A ALA 159.A N THR 155.A O no hydrogen 2.767 N/A VAL 162.A N LEU 158.A O no hydrogen 3.180 N/A VAL 162.A N ALA 159.A O no hydrogen 2.658 N/A LYS 163.A N ALA 159.A O no hydrogen 2.927 N/A LYS 163.A NZ GLY 135.A O no hydrogen 3.296 N/A VAL 164.A N PRO 160.A O no hydrogen 3.382 N/A LEU 165.A N PHE 161.A O no hydrogen 3.196 N/A ASP 166.A N VAL 162.A O no hydrogen 2.964 N/A GLN 167.A N LYS 163.A O no hydrogen 2.828 N/A LYS 168.A N LEU 165.A O no hydrogen 2.730 N/A PHE 169.A N LEU 165.A O no hydrogen 2.562 N/A GLY 170.A N ASP 166.A O no hydrogen 2.927 N/A ILE 171.A N ASP 166.A OD1 no hydrogen 3.323 N/A ILE 172.A N GLN 248.A O no hydrogen 2.750 N/A GLY 174.A N LYS 227.A O no hydrogen 2.877 N/A THR 177.A N ASP 244.A O no hydrogen 3.361 N/A THR 178.A N ILE 231.A O no hydrogen 3.417 N/A THR 178.A OG1 VAL 242.A O no hydrogen 3.567 N/A THR 178.A OG1 TYR 314.A OH no hydrogen 2.936 N/A THR 179.A N VAL 242.A O no hydrogen 2.778 N/A HIS 180.A N LEU 233.A O no hydrogen 2.662 N/A SER 181.A N SER 241.A OG no hydrogen 2.821 N/A SER 181.A OG THR 237.A OG1 no hydrogen 3.025 N/A SER 181.A OG VAL 240.A O no hydrogen 2.473 N/A SER 181.A OG SER 241.A OG no hydrogen 3.421 N/A TYR 182.A N THR 237.A O no hydrogen 2.844 N/A THR 183.A N GLN 186.A OE1 no hydrogen 3.369 N/A GLN 186.A N THR 183.A O no hydrogen 2.785 N/A ARG 187.A N ARG 198.A O no hydrogen 3.274 N/A ARG 187.A NE SER 192.A O no hydrogen 2.660 N/A ALA 191.A N ALA 199.A O no hydrogen 3.079 N/A HIS 193.A NE2 ASP 185.A OD1 no hydrogen 2.847 N/A ASP 195.A N HIS 193.A ND1 no hydrogen 3.025 N/A ARG 197.A N ASP 195.A OD1 no hydrogen 3.113 N/A ARG 198.A N ASP 195.A OD1 no hydrogen 3.251 N/A ARG 198.A NE THR 209.A OG1 no hydrogen 2.830 N/A ALA 199.A N ASP 195.A O no hydrogen 2.837 N/A ARG 200.A N ARG 197.A O no hydrogen 2.663 N/A ARG 200.A NE ASP 190.A OD1 no hydrogen 3.213 N/A ARG 200.A NE ASP 190.A OD2 no hydrogen 3.025 N/A ARG 200.A NH2 ASP 190.A OD2 no hydrogen 3.519 N/A ALA 201.A N ASP 190.A OD1 no hydrogen 2.694 N/A CYS 203.A N ALA 201.A O no hydrogen 2.648 N/A VAL 207.A N ARG 234.A O no hydrogen 3.063 N/A THR 209.A N ALA 232.A O no hydrogen 2.961 N/A THR 209.A OG1 ASP 195.A OD2 no hydrogen 3.150 N/A ALA 216.A N GLY 212.A O no hydrogen 2.787 N/A VAL 217.A N ALA 213.A O no hydrogen 3.195 N/A VAL 220.A N VAL 217.A O no hydrogen 2.697 N/A LEU 221.A N VAL 217.A O no hydrogen 2.859 N/A LEU 224.A N LEU 221.A O no hydrogen 2.741 N/A LYS 225.A N PRO 222.A O no hydrogen 3.264 N/A LYS 227.A N LEU 224.A O no hydrogen 2.864 N/A LYS 227.A NZ ILE 171.A O no hydrogen 3.479 N/A LYS 227.A NZ ASN 223.A O no hydrogen 3.553 N/A ILE 231.A N MET 176.A O no hydrogen 3.303 N/A ALA 232.A N THR 209.A O no hydrogen 3.008 N/A LEU 233.A N THR 178.A O no hydrogen 2.862 N/A ARG 234.A N VAL 207.A O no hydrogen 2.775 N/A ARG 234.A NH1 GLN 186.A OE1 no hydrogen 3.508 N/A VAL 235.A N HIS 180.A O no hydrogen 2.785 N/A THR 237.A N VAL 235.A O no hydrogen 2.561 N/A THR 237.A OG1 SER 181.A OG no hydrogen 3.025 N/A THR 237.A OG1 VAL 235.A O no hydrogen 3.411 N/A ASN 239.A ND2 ASP 315.A OD1 no hydrogen 3.260 N/A ASN 239.A ND2 ASP 315.A OD2 no hydrogen 3.019 N/A VAL 240.A N ASN 239.A OD1 no hydrogen 2.703 N/A SER 241.A N TYR 314.A O no hydrogen 2.855 N/A SER 241.A OG SER 181.A OG no hydrogen 3.421 N/A SER 241.A OG ASN 316.A OD1 no hydrogen 3.182 N/A VAL 242.A N THR 179.A O no hydrogen 2.929 N/A VAL 243.A N ALA 312.A O no hydrogen 2.845 N/A ASP 244.A N THR 177.A O no hydrogen 2.810 N/A LEU 245.A N VAL 310.A O no hydrogen 3.064 N/A VAL 246.A N THR 175.A O no hydrogen 2.915 N/A VAL 247.A N VAL 308.A O no hydrogen 2.975 N/A GLN 248.A N LYS 173.A O no hydrogen 2.878 N/A VAL 249.A N ASP 306.A O no hydrogen 2.823 N/A SER 250.A N PHE 169.A O no hydrogen 2.983 N/A SER 250.A N GLY 170.A O no hydrogen 3.098 N/A SER 250.A OG PHE 169.A O no hydrogen 2.964 N/A LYS 251.A N PHE 169.A O no hydrogen 3.339 N/A THR 253.A N ASP 305.A O no hydrogen 2.696 N/A THR 253.A OG1 GLU 257.A OE1 no hydrogen 2.732 N/A GLU 257.A N PHE 254.A O no hydrogen 3.021 N/A VAL 258.A N PHE 254.A O no hydrogen 3.272 N/A ASN 259.A N ALA 255.A O no hydrogen 3.466 N/A ASN 259.A ND2 THR 300.A OG1 no hydrogen 2.850 N/A ALA 260.A N GLU 256.A O no hydrogen 2.918 N/A ALA 261.A N GLU 257.A O no hydrogen 3.062 N/A PHE 262.A N VAL 258.A O no hydrogen 3.155 N/A ARG 263.A N ASN 259.A O no hydrogen 2.894 N/A ARG 263.A NH1 GLU 256.A OE2 no hydrogen 3.532 N/A ARG 263.A NH2 GLU 256.A OE2 no hydrogen 3.076 N/A ARG 263.A NH2 ASP 278.A OD1 no hydrogen 3.483 N/A GLU 264.A N ALA 260.A O no hydrogen 2.870 N/A SER 265.A N ALA 261.A O no hydrogen 3.051 N/A ALA 266.A N PHE 262.A O no hydrogen 2.780 N/A ASP 267.A N ARG 263.A O no hydrogen 2.791 N/A ASP 267.A N GLU 264.A O no hydrogen 3.076 N/A ASN 268.A N GLU 264.A O no hydrogen 3.052 N/A ASN 268.A N SER 265.A O no hydrogen 3.090 N/A LEU 270.A N SER 265.A O no hydrogen 2.801 N/A LYS 271.A N ASN 268.A O no hydrogen 3.415 N/A ILE 273.A N LEU 270.A O no hydrogen 2.592 N/A LEU 274.A N LEU 270.A O no hydrogen 3.148 N/A CYS 277.A N ILE 295.A O no hydrogen 2.913 N/A CYS 277.A SG GLU 279.A O no hydrogen 3.985 N/A VAL 282.A N ASP 285.A OD2 no hydrogen 3.140 N/A ASP 285.A N VAL 282.A O no hydrogen 2.793 N/A PHE 286.A N SER 283.A O no hydrogen 2.598 N/A ARG 287.A N ILE 284.A O no hydrogen 3.415 N/A THR 289.A OG1 PHE 286.A O no hydrogen 2.541 N/A THR 289.A OG1 ARG 287.A O no hydrogen 2.875 N/A SER 292.A N ILE 273.A O no hydrogen 2.905 N/A SER 293.A N ILE 273.A O no hydrogen 3.203 N/A SER 293.A OG CYS 157.A O no hydrogen 3.472 N/A THR 294.A N TRP 313.A O no hydrogen 2.961 N/A THR 294.A OG1 TRP 313.A O no hydrogen 3.518 N/A ILE 295.A N SER 275.A O no hydrogen 2.694 N/A ASP 296.A N ILE 311.A O no hydrogen 3.319 N/A SER 297.A OG CYS 277.A O no hydrogen 3.196 N/A SER 297.A OG ASP 278.A OD1 no hydrogen 2.536 N/A SER 298.A OG ASP 296.A OD1 no hydrogen 3.347 N/A LEU 299.A N ASP 296.A O no hydrogen 2.810 N/A THR 300.A N SER 297.A O no hydrogen 2.936 N/A THR 300.A OG1 SER 297.A O no hydrogen 3.321 N/A MET 301.A N LYS 309.A O no hydrogen 3.299 N/A MET 303.A N MET 307.A O no hydrogen 2.844 N/A ASP 306.A N MET 303.A O no hydrogen 3.244 N/A MET 307.A N MET 303.A O no hydrogen 3.059 N/A VAL 308.A N VAL 247.A O no hydrogen 2.752 N/A LYS 309.A N MET 301.A O no hydrogen 3.018 N/A LYS 309.A NZ ASP 244.A OD1 no hydrogen 3.273 N/A LYS 309.A NZ ASP 244.A OD2 no hydrogen 3.317 N/A VAL 310.A N LEU 245.A O no hydrogen 3.019 N/A ALA 312.A N VAL 243.A O no hydrogen 2.946 N/A TRP 313.A N THR 294.A O no hydrogen 2.867 N/A TRP 313.A NE1 ASP 296.A OD2 no hydrogen 2.602 N/A TYR 314.A N SER 241.A O no hydrogen 2.934 N/A TYR 314.A OH THR 154.A OG1 no hydrogen 3.120 N/A TYR 314.A OH THR 178.A OG1 no hydrogen 2.936 N/A GLU 317.A N ASP 315.A OD1 no hydrogen 2.740 N/A TRP 318.A N ASP 315.A OD1 no hydrogen 2.505 N/A TRP 318.A NE1 ASP 290.A OD1 no hydrogen 3.286 N/A TYR 320.A OH ASN 150.A O no hydrogen 3.046 N/A TYR 320.A OH ALA 151.A O no hydrogen 2.548 N/A SER 321.A N GLU 317.A O no hydrogen 3.043 N/A SER 321.A OG GLU 317.A O no hydrogen 2.791 N/A GLN 322.A N TRP 318.A O no hydrogen 2.790 N/A ARG 323.A N GLY 319.A O no hydrogen 3.176 N/A ARG 323.A N TYR 320.A O no hydrogen 2.509 N/A ARG 323.A NH1 ASP 290.A O no hydrogen 3.210 N/A ARG 323.A NH1 SER 292.A OG no hydrogen 2.682 N/A ARG 323.A NH2 ASP 290.A O no hydrogen 3.416 N/A ARG 323.A NH2 ASP 326.A OD1 no hydrogen 2.871 N/A VAL 324.A N TYR 320.A O no hydrogen 2.797 N/A VAL 325.A N SER 321.A O no hydrogen 2.744 N/A ASP 326.A N GLN 322.A O no hydrogen 3.022 N/A LEU 327.A N ARG 323.A O no hydrogen 2.766 N/A LEU 327.A N VAL 324.A O no hydrogen 3.016 N/A ALA 328.A N VAL 324.A O no hydrogen 2.940 N/A ASP 329.A N VAL 325.A O no hydrogen 2.518 N/A ILE 330.A N ASP 326.A O no hydrogen 3.067 N/A ILE 330.A N LEU 327.A O no hydrogen 2.758 N/A VAL 331.A N LEU 327.A O no hydrogen 2.917 N/A ALA 332.A N ALA 328.A O no hydrogen 3.161 N/A TRP 20A.A N PHE 16.A O no hydrogen 2.729 N/A LYS 126A.A N VAL 103.A O no hydrogen 2.888 N/A HIS 21B.A N LEU 17.A O no hydrogen 2.986 N/A