Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7pnk_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N GLN 5.A OE1 no hydrogen 2.851 N/A ASP 13.A N THR 9.A O no hydrogen 2.976 N/A ALA 14.A N TRP 10.A O no hydrogen 2.868 N/A ASP 15.A N PHE 11.A O no hydrogen 2.899 N/A ASP 16.A N ASP 12.A O no hydrogen 2.897 N/A TRP 17.A N ASP 13.A O no hydrogen 2.955 N/A LEU 18.A N ALA 14.A O no hydrogen 2.883 N/A ARG 19.A N ASP 15.A O no hydrogen 2.933 N/A ARG 19.A NE ASP 15.A OD1 no hydrogen 2.854 N/A ARG 19.A NE ASP 15.A OD2 no hydrogen 3.537 N/A ARG 22.A NH2 GLN 20.A OE1 no hydrogen 2.422 N/A GLY 27.A N LEU 18.A O no hydrogen 3.138 N/A TRP 28.A NE1 ASP 15.A OD1 no hydrogen 3.025 N/A GLY 30.A N VAL 26.A O no hydrogen 2.906 N/A LEU 31.A N TRP 28.A O no hydrogen 2.954 N/A LEU 32.A N SER 29.A O no hydrogen 3.018 N/A LEU 33.A N SER 29.A O no hydrogen 2.687 N/A LEU 34.A N GLY 30.A O no hydrogen 3.448 N/A CYS 36.A N LEU 32.A O no hydrogen 2.992 N/A ALA 37.A N LEU 33.A O no hydrogen 2.822 N/A TYR 38.A N LEU 34.A O no hydrogen 2.982 N/A PHE 39.A N PRO 35.A O no hydrogen 2.906 N/A ALA 40.A N CYS 36.A O no hydrogen 2.938 N/A VAL 41.A N ALA 37.A O no hydrogen 2.966 N/A GLY 42.A N TYR 38.A O no hydrogen 2.897 N/A GLY 43.A N PHE 39.A O no hydrogen 2.836 N/A TRP 44.A N ALA 40.A O no hydrogen 2.982 N/A TRP 44.A NE1 PHE 169.A O no hydrogen 3.049 N/A LEU 45.A N VAL 41.A O no hydrogen 2.945 N/A THR 46.A N GLY 42.A O no hydrogen 2.856 N/A THR 46.A OG1 GLY 42.A O no hydrogen 2.362 N/A GLY 47.A N GLY 43.A O no hydrogen 2.894 N/A CYS 48.A N TRP 44.A O no hydrogen 2.926 N/A THR 49.A N THR 46.A O no hydrogen 3.194 N/A THR 49.A OG1 LEU 45.A O no hydrogen 2.403 N/A PHE 50.A N THR 46.A O no hydrogen 2.862 N/A VAL 51.A N THR 46.A O no hydrogen 3.454 N/A THR 52.A OG1 GLU 65.A OE2 no hydrogen 2.387 N/A SER 53.A OG SER 53.A O no hydrogen 2.444 N/A SER 53.A OG THR 56.A OG1 no hydrogen 3.226 N/A SER 53.A OG SER 75.A OG no hydrogen 3.127 N/A TRP 54.A N THR 52.A OG1 no hydrogen 3.271 N/A THR 56.A OG1 SER 53.A O no hydrogen 3.559 N/A THR 56.A OG1 SER 53.A OG no hydrogen 3.226 N/A THR 56.A OG1 SER 75.A OG no hydrogen 3.048 N/A HIS 57.A N SER 53.A O no hydrogen 3.183 N/A HIS 57.A NE2 THR 76.A O no hydrogen 2.925 N/A HIS 57.A NE2 THR 76.A OG1 no hydrogen 2.676 N/A LEU 59.A N SER 53.A O no hydrogen 3.205 N/A SER 61.A N GLU 65.A OE1 no hydrogen 2.718 N/A SER 61.A OG ALA 73.A O no hydrogen 2.681 N/A SER 62.A OG GLU 65.A OE1 no hydrogen 2.885 N/A TYR 63.A N CYS 48.A O no hydrogen 3.021 N/A ILE 64.A N THR 49.A O no hydrogen 3.035 N/A GLU 65.A N SER 62.A O no hydrogen 3.268 N/A GLY 66.A N TYR 63.A O no hydrogen 3.208 N/A CYS 67.A N SER 62.A O no hydrogen 3.194 N/A CYS 67.A SG ALA 60.A O no hydrogen 3.204 N/A CYS 67.A SG THR 71.A O no hydrogen 3.878 N/A ASN 68.A N THR 71.A OG1 no hydrogen 3.108 N/A THR 71.A N ASN 68.A OD1 no hydrogen 3.149 N/A THR 71.A OG1 ASN 68.A OD1 no hydrogen 2.478 N/A ALA 72.A N ASN 68.A O no hydrogen 3.050 N/A ALA 73.A N SER 61.A O no hydrogen 2.825 N/A VAL 74.A N PHE 169.A O no hydrogen 2.858 N/A SER 75.A OG SER 53.A OG no hydrogen 3.127 N/A SER 75.A OG THR 56.A OG1 no hydrogen 3.048 N/A THR 76.A N SER 168.A OG no hydrogen 3.268 N/A THR 76.A OG1 HIS 57.A NE2 no hydrogen 2.676 N/A THR 76.A OG1 PHE 164.A O no hydrogen 3.140 N/A THR 76.A OG1 SER 168.A OG no hydrogen 3.386 N/A LEU 81.A N ALA 78.A O no hydrogen 2.931 N/A GLY 82.A N ASN 79.A O no hydrogen 2.914 N/A HIS 83.A NE2 GLN 160.A O no hydrogen 2.748 N/A SER 84.A N LEU 81.A O no hydrogen 3.291 N/A SER 84.A OG GLU 92.A OE1 no hydrogen 3.132 N/A SER 84.A OG GLU 92.A OE2 no hydrogen 2.692 N/A LEU 86.A N SER 84.A OG no hydrogen 3.097 N/A GLY 90.A N PHE 87.A O no hydrogen 2.984 N/A GLN 94.A N GLY 90.A O no hydrogen 2.979 N/A GLY 95.A N VAL 88.A O no hydrogen 2.591 N/A ASP 96.A N ALA 93.A O no hydrogen 3.299 N/A ARG 99.A N ASP 96.A OD1 no hydrogen 3.226 N/A ARG 99.A NH1 GLN 102.A OE1 no hydrogen 3.255 N/A TRP 100.A N ASP 96.A O no hydrogen 2.891 N/A TRP 100.A NE1 LEU 86.A O no hydrogen 2.619 N/A PHE 101.A N LEU 97.A O no hydrogen 2.928 N/A GLN 102.A N THR 98.A O no hydrogen 3.353 N/A LEU 103.A N TRP 100.A O no hydrogen 3.343 N/A GLY 105.A N TRP 100.A O no hydrogen 3.221 N/A TRP 107.A N GLY 104.A O no hydrogen 3.215 N/A TRP 107.A NE1 PRO 167.A O no hydrogen 2.653 N/A PHE 109.A N GLY 105.A O no hydrogen 2.941 N/A VAL 110.A N LEU 106.A O no hydrogen 2.887 N/A ALA 111.A N TRP 107.A O no hydrogen 2.853 N/A LEU 112.A N ALA 108.A O no hydrogen 2.926 N/A HIS 113.A N PHE 109.A O no hydrogen 2.959 N/A GLY 114.A N VAL 110.A O no hydrogen 2.826 N/A ALA 115.A N ALA 111.A O no hydrogen 2.912 N/A PHE 116.A N LEU 112.A O no hydrogen 2.974 N/A GLY 117.A N HIS 113.A O no hydrogen 2.824 N/A LEU 118.A N GLY 114.A O no hydrogen 2.865 N/A ILE 119.A N ALA 115.A O no hydrogen 3.000 N/A GLY 120.A N PHE 116.A O no hydrogen 2.867 N/A PHE 121.A N GLY 117.A O no hydrogen 2.826 N/A MET 122.A N LEU 118.A O no hydrogen 3.000 N/A LEU 123.A N ILE 119.A O no hydrogen 2.929 N/A ARG 124.A N GLY 120.A O no hydrogen 2.812 N/A ARG 124.A NH1 PHE 25.A O no hydrogen 2.711 N/A GLN 125.A N PHE 121.A O no hydrogen 2.957 N/A PHE 126.A N MET 122.A O no hydrogen 2.973 N/A GLU 127.A N LEU 123.A O no hydrogen 2.863 N/A ILE 128.A N ARG 124.A O no hydrogen 2.881 N/A ALA 129.A N GLN 125.A O no hydrogen 2.901 N/A ARG 130.A N PHE 126.A O no hydrogen 2.953 N/A ARG 130.A NE ARG 130.A O no hydrogen 3.077 N/A ARG 130.A NH2 ASN 133.A OD1 no hydrogen 2.413 N/A SER 131.A N GLU 127.A O no hydrogen 2.877 N/A VAL 132.A N ILE 128.A O no hydrogen 2.933 N/A LEU 134.A N ALA 129.A O no hydrogen 2.770 N/A ILE 140.A N PRO 136.A O no hydrogen 2.964 N/A ALA 141.A N TYR 137.A O no hydrogen 2.910 N/A PHE 142.A N ASN 138.A O no hydrogen 2.889 N/A SER 143.A OG ILE 140.A O no hydrogen 2.987 N/A ALA 144.A N ALA 141.A O no hydrogen 3.200 N/A ALA 147.A N SER 143.A O no hydrogen 3.044 N/A VAL 148.A N ALA 144.A O no hydrogen 2.930 N/A PHE 149.A N PRO 145.A O no hydrogen 2.831 N/A VAL 150.A N ILE 146.A O no hydrogen 2.895 N/A SER 151.A N ALA 147.A O no hydrogen 2.887 N/A SER 151.A OG ALA 147.A O no hydrogen 3.181 N/A SER 151.A OG VAL 148.A O no hydrogen 3.035 N/A VAL 152.A N VAL 148.A O no hydrogen 2.914 N/A PHE 153.A N PHE 149.A O no hydrogen 2.881 N/A LEU 154.A N VAL 150.A O no hydrogen 2.922 N/A ILE 155.A N VAL 150.A O no hydrogen 2.736 N/A TYR 156.A N SER 151.A O no hydrogen 2.920 N/A TYR 156.A OH HIS 185.A NE2 no hydrogen 3.091 N/A LEU 158.A N LEU 154.A O no hydrogen 2.941 N/A GLY 159.A N ILE 155.A O no hydrogen 2.893 N/A GLN 160.A N TYR 156.A O no hydrogen 2.952 N/A GLN 160.A NE2 ASN 288.A OD1 no hydrogen 3.495 N/A SER 161.A OG ASN 79.A OD1 no hydrogen 2.292 N/A TRP 163.A N GLY 82.A O no hydrogen 3.166 N/A TRP 163.A NE1 SER 84.A O no hydrogen 2.717 N/A PHE 165.A N GLY 162.A O no hydrogen 3.001 N/A ALA 166.A N TRP 163.A O no hydrogen 2.889 N/A SER 168.A OG THR 76.A OG1 no hydrogen 3.386 N/A PHE 169.A N VAL 74.A O no hydrogen 2.941 N/A ALA 172.A N LEU 70.A O no hydrogen 2.937 N/A SER 173.A OG SER 168.A O no hydrogen 2.566 N/A SER 173.A OG GLY 170.A O no hydrogen 2.811 N/A ILE 174.A N GLY 170.A O no hydrogen 2.940 N/A PHE 175.A N VAL 171.A O no hydrogen 2.986 N/A ARG 176.A N ALA 172.A O no hydrogen 2.891 N/A ARG 176.A NE ASP 329.A OD1 no hydrogen 3.016 N/A ARG 176.A NH2 ASP 329.A OD1 no hydrogen 2.498 N/A ARG 176.A NH2 ASP 329.A OD2 no hydrogen 3.142 N/A PHE 177.A N SER 173.A O no hydrogen 2.928 N/A ILE 178.A N ILE 174.A O no hydrogen 2.863 N/A LEU 179.A N PHE 175.A O no hydrogen 2.933 N/A PHE 180.A N ARG 176.A O no hydrogen 2.824 N/A PHE 181.A N PHE 177.A O no hydrogen 3.011 N/A GLN 182.A N ILE 178.A O no hydrogen 2.975 N/A GLN 182.A NE2 ASN 318.A OD1 no hydrogen 3.172 N/A GLY 183.A N LEU 179.A O no hydrogen 2.944 N/A PHE 184.A N PHE 180.A O no hydrogen 2.877 N/A HIS 185.A N PHE 181.A O no hydrogen 3.193 N/A HIS 185.A NE2 TYR 156.A OH no hydrogen 3.091 N/A ASN 186.A N GLN 182.A O no hydrogen 3.303 N/A ASN 186.A ND2 TYR 292.A O no hydrogen 3.459 N/A TRP 187.A N PHE 181.A O no hydrogen 3.167 N/A THR 188.A OG1 GLN 182.A OE1 no hydrogen 3.476 N/A LEU 189.A N ASN 186.A O no hydrogen 3.013 N/A PHE 192.A N ASN 190.A OD1 no hydrogen 3.056 N/A MET 194.A N ASN 190.A O no hydrogen 2.915 N/A MET 195.A N PRO 191.A O no hydrogen 2.899 N/A GLY 196.A N PHE 192.A O no hydrogen 2.943 N/A VAL 197.A N HIS 193.A O no hydrogen 2.876 N/A ALA 198.A N MET 194.A O no hydrogen 2.938 N/A GLY 199.A N MET 195.A O no hydrogen 2.848 N/A VAL 200.A N GLY 196.A O no hydrogen 2.979 N/A LEU 201.A N VAL 197.A O no hydrogen 2.939 N/A GLY 202.A N ALA 198.A O no hydrogen 2.866 N/A ALA 203.A N GLY 199.A O no hydrogen 2.876 N/A ALA 204.A N VAL 200.A O no hydrogen 2.920 N/A LEU 205.A N LEU 201.A O no hydrogen 2.918 N/A LEU 206.A N GLY 202.A O no hydrogen 2.826 N/A CYS 207.A N ALA 203.A O no hydrogen 2.898 N/A ALA 208.A N ALA 204.A O no hydrogen 2.980 N/A ILE 209.A N LEU 205.A O no hydrogen 2.847 N/A HIS 210.A N LEU 206.A O no hydrogen 2.851 N/A GLY 211.A N CYS 207.A O no hydrogen 2.986 N/A ALA 212.A N ALA 208.A O no hydrogen 2.939 N/A THR 213.A N ILE 209.A O no hydrogen 2.860 N/A THR 213.A OG1 ILE 209.A O no hydrogen 2.629 N/A VAL 214.A N HIS 210.A O no hydrogen 2.925 N/A GLU 215.A N GLY 211.A O no hydrogen 2.926 N/A ASN 216.A N ALA 212.A O no hydrogen 2.888 N/A ASN 216.A ND2 ALA 212.A O no hydrogen 2.546 N/A THR 217.A N THR 213.A O no hydrogen 2.919 N/A THR 217.A N VAL 214.A O no hydrogen 3.381 N/A THR 217.A OG1 THR 213.A O no hydrogen 2.350 N/A THR 217.A OG1 VAL 214.A O no hydrogen 3.524 N/A PHE 219.A N THR 239.A O no hydrogen 2.741 N/A PHE 228.A N ASN 226.A OD1 no hydrogen 3.260 N/A ALA 230.A N THR 227.A O no hydrogen 2.901 N/A ASN 232.A ND2 GLN 235.A OE1 no hydrogen 3.488 N/A SER 241.A N THR 217.A O no hydrogen 2.637 N/A SER 241.A OG THR 244.A OG1 no hydrogen 2.654 N/A THR 244.A N SER 241.A OG no hydrogen 3.291 N/A THR 244.A OG1 SER 241.A OG no hydrogen 2.654 N/A ALA 245.A N SER 241.A O no hydrogen 2.945 N/A ASN 246.A N MET 242.A O no hydrogen 2.875 N/A ASN 246.A ND2 PHE 257.A O no hydrogen 2.975 N/A ARG 247.A N VAL 243.A O no hydrogen 2.933 N/A ARG 247.A NE GLN 251.A OE1 no hydrogen 2.999 N/A PHE 248.A N THR 244.A O no hydrogen 2.915 N/A TRP 249.A N ALA 245.A O no hydrogen 2.965 N/A TRP 249.A NE1 THR 213.A OG1 no hydrogen 2.646 N/A SER 250.A N ASN 246.A O no hydrogen 2.878 N/A SER 250.A OG ASN 246.A O no hydrogen 2.525 N/A GLN 251.A N ARG 247.A O no hydrogen 2.972 N/A ILE 252.A N PHE 248.A O no hydrogen 2.916 N/A PHE 253.A N TRP 249.A O no hydrogen 2.900 N/A GLY 254.A N TRP 249.A O no hydrogen 3.253 N/A LYS 260.A NZ GLU 238.A OE2 no hydrogen 3.201 N/A TRP 262.A N ASN 259.A OD1 no hydrogen 3.024 N/A LEU 263.A N ASN 259.A O no hydrogen 2.882 N/A HIS 264.A N LYS 260.A O no hydrogen 2.948 N/A HIS 264.A ND1 LYS 260.A O no hydrogen 2.556 N/A PHE 265.A N ARG 261.A O no hydrogen 2.879 N/A PHE 266.A N TRP 262.A O no hydrogen 2.860 N/A MET 267.A N LEU 263.A O no hydrogen 2.953 N/A LEU 268.A N HIS 264.A O no hydrogen 2.935 N/A PHE 269.A N PHE 265.A O no hydrogen 2.790 N/A VAL 270.A N PHE 266.A O no hydrogen 2.995 N/A THR 273.A N PHE 269.A O no hydrogen 3.004 N/A THR 273.A OG1 PHE 269.A O no hydrogen 2.708 N/A GLY 274.A N VAL 270.A O no hydrogen 3.009 N/A LEU 275.A N PRO 271.A O no hydrogen 2.870 N/A TRP 276.A N VAL 272.A O no hydrogen 2.923 N/A MET 277.A N THR 273.A O no hydrogen 2.948 N/A SER 278.A N GLY 274.A O no hydrogen 2.948 N/A SER 278.A OG GLY 274.A O no hydrogen 3.482 N/A SER 278.A OG LEU 275.A O no hydrogen 2.580 N/A ALA 279.A N LEU 275.A O no hydrogen 2.906 N/A LEU 280.A N TRP 276.A O no hydrogen 2.945 N/A GLY 281.A N MET 277.A O no hydrogen 2.942 N/A VAL 282.A N SER 278.A O no hydrogen 2.941 N/A VAL 283.A N ALA 279.A O no hydrogen 2.927 N/A GLY 284.A N LEU 280.A O no hydrogen 2.924 N/A LEU 285.A N GLY 281.A O no hydrogen 2.905 N/A ALA 286.A N VAL 283.A O no hydrogen 3.188 N/A LEU 287.A N GLY 284.A O no hydrogen 3.384 N/A ASN 288.A N LEU 285.A O no hydrogen 3.099 N/A LEU 289.A N GLY 284.A O no hydrogen 3.079 N/A ARG 290.A NE HIS 185.A ND1 no hydrogen 2.838 N/A PHE 294.A N TYR 311.A OH no hydrogen 2.860 N/A GLU 298.A N PHE 294.A O no hydrogen 2.909 N/A ILE 299.A N VAL 295.A O no hydrogen 2.924 N/A ARG 300.A N SER 296.A O no hydrogen 2.952 N/A ALA 301.A N GLN 297.A O no hydrogen 2.893 N/A ALA 302.A N GLU 298.A O no hydrogen 2.896 N/A GLU 303.A N ILE 299.A O no hydrogen 2.926 N/A ASP 304.A N ARG 300.A O no hydrogen 2.902 N/A GLU 306.A N ASP 304.A OD2 no hydrogen 3.264 N/A PHE 307.A N ASP 304.A O no hydrogen 3.440 N/A THR 309.A N THR 312.A OG1 no hydrogen 3.056 N/A TYR 311.A OH PHE 294.A O no hydrogen 3.399 N/A THR 312.A OG1 THR 309.A O no hydrogen 2.516 N/A LYS 313.A N THR 309.A O no hydrogen 2.975 N/A ASN 314.A N PHE 310.A O no hydrogen 2.877 N/A ILE 315.A N TYR 311.A O no hydrogen 2.922 N/A LEU 316.A N THR 312.A O no hydrogen 2.978 N/A LEU 317.A N LYS 313.A O no hydrogen 2.912 N/A ASN 318.A N ASN 314.A O no hydrogen 2.889 N/A GLU 319.A N ILE 315.A O no hydrogen 2.971 N/A GLY 320.A N LEU 316.A O no hydrogen 2.954 N/A ILE 321.A N LEU 317.A O no hydrogen 2.913 N/A ARG 322.A N ASN 318.A O no hydrogen 2.974 N/A ARG 322.A NH1 GLY 183.A O no hydrogen 3.457 N/A ARG 322.A NH1 TYR 292.A OH no hydrogen 2.921 N/A ALA 323.A N GLU 319.A O no hydrogen 2.962 N/A TRP 324.A N GLY 320.A O no hydrogen 2.921 N/A TRP 324.A NE1 PRO 343.A O no hydrogen 2.971 N/A ALA 326.A N ARG 322.A O no hydrogen 2.991 N/A GLN 328.A N MET 325.A O no hydrogen 3.277 N/A ASP 329.A N MET 325.A O no hydrogen 2.880 N/A ASP 329.A N ALA 326.A O no hydrogen 3.317 N/A GLN 330.A N ALA 326.A O no hydrogen 2.965 N/A GLN 330.A NE2 ASP 329.A OD2 no hydrogen 3.527 N/A GLU 333.A N GLN 330.A O no hydrogen 3.301 N/A LYS 334.A N PRO 331.A O no hydrogen 3.330 N/A LYS 334.A NZ HIS 332.A O no hydrogen 3.389 N/A LEU 342.A N GLU 339.A O no hydrogen 3.112 N/A