Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pcr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A N ASP 54.A OD2 no hydrogen 2.682 N/A CYS 3.A SG ASP 54.A OD2 no hydrogen 3.077 N/A ALA 4.A N SER 56.A OG no hydrogen 2.892 N/A GLU 5.A N SER 2.A O no hydrogen 2.881 N/A GLU 5.A N SER 2.A OG no hydrogen 3.250 N/A LYS 6.A N SER 2.A O no hydrogen 3.051 N/A LEU 7.A N CYS 3.A O no hydrogen 2.943 N/A PHE 8.A N ALA 4.A O no hydrogen 3.362 N/A LYS 9.A N GLU 5.A O no hydrogen 2.980 N/A VAL 10.A N LYS 6.A O no hydrogen 2.829 N/A LEU 11.A N LEU 7.A O no hydrogen 2.559 N/A SER 12.A N PHE 8.A O no hydrogen 2.733 N/A SER 12.A OG PHE 8.A O no hydrogen 3.017 N/A PHE 13.A N LYS 9.A O no hydrogen 2.732 N/A GLY 14.A N VAL 10.A O no hydrogen 3.099 N/A TRP 16.A NE1 ARG 108.A O no hydrogen 2.884 N/A TYR 20.A OH GLY 14.A O no hydrogen 2.500 N/A SER 21.A N GLU 24.A OE1 no hydrogen 3.128 N/A SER 23.A N SER 21.A O no hydrogen 2.322 N/A GLN 26.A N ARG 22.A O no hydrogen 2.595 N/A SER 27.A N SER 23.A O no hydrogen 3.331 N/A SER 27.A OG SER 23.A O no hydrogen 3.254 N/A SER 27.A OG GLU 24.A O no hydrogen 2.858 N/A PHE 28.A N ARG 25.A O no hydrogen 2.802 N/A GLN 29.A N ARG 25.A O no hydrogen 2.862 N/A GLU 30.A N GLN 26.A O no hydrogen 3.275 N/A LEU 31.A N SER 27.A O no hydrogen 3.427 N/A LEU 32.A N PHE 28.A O no hydrogen 2.755 N/A THR 33.A N GLN 29.A O no hydrogen 3.090 N/A THR 33.A N GLU 30.A O no hydrogen 3.175 N/A THR 33.A OG1 GLN 29.A O no hydrogen 2.919 N/A THR 33.A OG1 GLU 30.A O no hydrogen 3.338 N/A VAL 34.A N LEU 31.A O no hydrogen 3.183 N/A LEU 35.A N LEU 32.A O no hydrogen 3.332 N/A GLU 36.A N SER 49.A O no hydrogen 2.898 N/A VAL 38.A N ARG 47.A O no hydrogen 2.766 N/A LEU 41.A N GLU 44.A OE1 no hydrogen 2.553 N/A GLU 44.A N LEU 41.A O no hydrogen 2.639 N/A GLY 46.A N VAL 62.A O no hydrogen 3.403 N/A ARG 47.A NE GLU 44.A OE1 no hydrogen 2.905 N/A ARG 47.A NE GLU 44.A OE2 no hydrogen 3.298 N/A ARG 47.A NH2 GLU 44.A OE1 no hydrogen 3.516 N/A ARG 47.A NH2 GLU 44.A OE2 no hydrogen 2.648 N/A VAL 48.A N ILE 60.A O no hydrogen 2.787 N/A SER 49.A N GLU 36.A O no hydrogen 2.679 N/A ALA 50.A N LEU 58.A O no hydrogen 2.739 N/A ARG 51.A NH1 GLU 222.A OE2 no hydrogen 3.078 N/A ARG 51.A NH2 GLU 222.A OE1 no hydrogen 3.007 N/A PHE 52.A N SER 56.A O no hydrogen 3.057 N/A GLY 55.A N PHE 52.A O no hydrogen 3.080 N/A SER 56.A N ASP 54.A OD1 no hydrogen 2.799 N/A SER 56.A OG ASP 54.A OD1 no hydrogen 2.512 N/A SER 56.A OG ASP 54.A OD2 no hydrogen 3.544 N/A SER 57.A N ARG 73.A O no hydrogen 2.860 N/A LEU 58.A N ALA 50.A O no hydrogen 2.913 N/A ARG 59.A N GLU 71.A O no hydrogen 2.896 N/A ARG 59.A NH2 GLU 71.A OE1 no hydrogen 2.954 N/A ILE 60.A N VAL 48.A O no hydrogen 2.913 N/A SER 61.A N GLU 69.A O no hydrogen 2.934 N/A SER 61.A OG GLU 44.A OE2 no hydrogen 3.198 N/A VAL 62.A N GLY 46.A O no hydrogen 2.913 N/A THR 63.A N LEU 67.A O no hydrogen 2.993 N/A ASN 64.A N ASN 43.A O no hydrogen 2.998 N/A SER 65.A N THR 63.A OG1 no hydrogen 3.144 N/A SER 65.A OG THR 63.A OG1 no hydrogen 3.279 N/A VAL 68.A N LEU 84.A O no hydrogen 3.095 N/A GLU 69.A N SER 61.A O no hydrogen 3.035 N/A ALA 70.A N VAL 82.A O no hydrogen 2.770 N/A GLU 71.A N ARG 59.A O no hydrogen 2.843 N/A ILE 72.A N ILE 80.A O no hydrogen 2.857 N/A ARG 73.A N SER 57.A O no hydrogen 3.099 N/A THR 74.A N GLU 78.A O no hydrogen 3.300 N/A THR 74.A OG1 ASN 76.A OD1 no hydrogen 3.328 N/A ASN 76.A ND2 GLU 78.A OE2 no hydrogen 2.588 N/A GLU 78.A N THR 74.A OG1 no hydrogen 2.931 N/A ILE 80.A N ILE 72.A O no hydrogen 2.854 N/A VAL 82.A N ALA 70.A O no hydrogen 2.738 N/A ASN 90.A N ASN 87.A OD1 no hydrogen 2.940 N/A ARG 91.A NE ASN 87.A O no hydrogen 2.542 N/A ARG 91.A NH2 ASN 87.A O no hydrogen 3.221 N/A LEU 93.A N SER 86.A OG no hydrogen 2.944 N/A GLN 94.A N ARG 91.A O no hydrogen 3.210 N/A SER 95.A N LEU 92.A O no hydrogen 3.228 N/A SER 95.A OG ARG 91.A O no hydrogen 3.110 N/A ILE 98.A N LEU 96.A O no hydrogen 2.748 N/A ARG 100.A N THR 131.A O no hydrogen 2.828 N/A ARG 100.A NE GLU 66.A OE2 no hydrogen 3.273 N/A ARG 100.A NH1 GLN 105.A OE1 no hydrogen 2.845 N/A ARG 100.A NH2 GLU 66.A OE2 no hydrogen 3.408 N/A GLN 105.A N THR 132.A OG1 no hydrogen 2.816 N/A HIS 107.A N GLU 337.A O no hydrogen 2.767 N/A HIS 107.A NE2 SER 130.A O no hydrogen 2.648 N/A ALA 109.A N TYR 339.A O no hydrogen 2.722 N/A ASP 116.A N SER 119.A OG no hydrogen 2.840 N/A THR 118.A N ASP 116.A OD2 no hydrogen 3.153 N/A SER 119.A OG ASP 116.A O no hydrogen 2.828 N/A SER 119.A OG ASP 116.A OD1 no hydrogen 2.873 N/A ASN 121.A N THR 118.A O no hydrogen 3.384 N/A ASN 121.A ND2 THR 118.A O no hydrogen 2.619 N/A LEU 122.A N SER 119.A O no hydrogen 3.031 N/A GLY 124.A N ARG 120.A O no hydrogen 2.789 N/A PHE 125.A N LEU 122.A O no hydrogen 2.922 N/A THR 126.A N LEU 122.A O no hydrogen 2.784 N/A THR 126.A OG1 LEU 122.A O no hydrogen 3.467 N/A THR 126.A OG1 LEU 123.A O no hydrogen 3.385 N/A THR 126.A OG1 THR 308.A OG1 no hydrogen 2.933 N/A SER 127.A N LEU 123.A O no hydrogen 2.788 N/A LYS 128.A N PHE 125.A O no hydrogen 3.437 N/A LYS 128.A NZ LEU 35.A O no hydrogen 3.040 N/A LEU 129.A N THR 126.A O no hydrogen 3.013 N/A SER 130.A N GLN 94.A O no hydrogen 2.910 N/A SER 130.A OG GLN 94.A O no hydrogen 3.532 N/A SER 130.A OG GLN 105.A OE1 no hydrogen 3.022 N/A THR 131.A N ILE 98.A O no hydrogen 3.195 N/A THR 131.A OG1 ASP 99.A OD1 no hydrogen 2.646 N/A THR 132.A N ALA 335.A O no hydrogen 3.057 N/A THR 132.A OG1 TYR 103.A O no hydrogen 3.052 N/A LEU 133.A N ARG 100.A O no hydrogen 2.790 N/A ILE 134.A N TYR 333.A O no hydrogen 2.913 N/A HIS 136.A NE2 ASP 141.A OD2 no hydrogen 3.067 N/A GLN 139.A N ASN 137.A OD1 no hydrogen 2.665 N/A THR 140.A N ASN 137.A O no hydrogen 2.951 N/A THR 140.A OG1 ASN 137.A O no hydrogen 3.532 N/A ASP 141.A N ASN 137.A O no hydrogen 2.625 N/A LEU 143.A N ASP 141.A OD1 no hydrogen 3.146 N/A SER 144.A N ASP 141.A O no hydrogen 2.486 N/A SER 144.A OG ASP 141.A OD2 no hydrogen 2.996 N/A GLY 145.A N ASP 141.A O no hydrogen 3.221 N/A PHE 149.A N TYR 241.A OH no hydrogen 2.848 N/A SER 150.A N THR 147.A O no hydrogen 2.818 N/A SER 151.A OG ASP 154.A OD2 no hydrogen 2.866 N/A ILE 152.A N PHE 149.A O no hydrogen 2.829 N/A THR 155.A N ILE 152.A O no hydrogen 2.898 N/A THR 155.A OG1 ILE 152.A O no hydrogen 2.981 N/A CYS 156.A N PHE 153.A O no hydrogen 3.132 N/A CYS 156.A SG LEU 185.A O no hydrogen 2.861 N/A GLY 158.A N ASP 154.A O no hydrogen 2.603 N/A LEU 159.A N THR 155.A O no hydrogen 2.740 N/A GLY 160.A N GLN 176.A OE1 no hydrogen 2.908 N/A ASN 161.A N GLY 158.A O no hydrogen 3.000 N/A LYS 163.A N ILE 275.A O no hydrogen 3.011 N/A SER 165.A N ILE 277.A O no hydrogen 2.834 N/A SER 165.A OG GLU 36.A OE1 no hydrogen 3.540 N/A SER 165.A OG GLU 36.A OE2 no hydrogen 2.647 N/A SER 165.A OG VAL 169.A O no hydrogen 3.444 N/A LEU 166.A N VAL 169.A O no hydrogen 2.850 N/A ASN 167.A N ILE 279.A O no hydrogen 2.668 N/A ASN 167.A ND2 GLU 222.A OE1 no hydrogen 3.122 N/A ASN 167.A ND2 GLN 281.A O no hydrogen 3.012 N/A VAL 169.A N LEU 166.A O no hydrogen 2.844 N/A ILE 171.A N LEU 164.A O no hydrogen 2.650 N/A GLN 176.A N PRO 172.A O no hydrogen 2.722 N/A GLN 176.A NE2 ALA 162.A O no hydrogen 2.531 N/A GLN 176.A NE2 ILE 171.A O no hydrogen 3.377 N/A LYS 177.A N ALA 173.A O no hydrogen 2.825 N/A LEU 178.A N ASN 174.A O no hydrogen 2.710 N/A LEU 179.A N ALA 175.A O no hydrogen 2.814 N/A LEU 179.A N GLN 176.A O no hydrogen 3.166 N/A ARG 180.A N GLN 176.A O no hydrogen 2.913 N/A ARG 180.A NH1 CYS 156.A O no hydrogen 3.418 N/A ASP 181.A N LYS 177.A O no hydrogen 2.904 N/A ALA 182.A N LEU 178.A O no hydrogen 2.953 N/A LEU 183.A N LEU 179.A O no hydrogen 3.033 N/A LEU 183.A N ARG 180.A O no hydrogen 3.282 N/A GLY 184.A N ASP 181.A O no hydrogen 2.852 N/A LYS 186.A NZ ASP 181.A OD1 no hydrogen 2.893 N/A LYS 186.A NZ ASP 181.A OD2 no hydrogen 3.371 N/A THR 188.A OG1 ASP 187.A OD2 no hydrogen 3.328 N/A HIS 189.A N THR 188.A OG1 no hydrogen 2.478 N/A SER 190.A N ASP 187.A OD2 no hydrogen 2.521 N/A SER 190.A OG SER 191.A O no hydrogen 3.075 N/A SER 191.A OG PRO 192.A O no hydrogen 3.078 N/A ILE 197.A N THR 193.A O no hydrogen 3.061 N/A HIS 199.A N ASN 195.A O no hydrogen 3.021 N/A ILE 201.A N LEU 227.A O no hydrogen 3.229 N/A ARG 203.A NH1 GLU 225.A OE1 no hydrogen 2.846 N/A ARG 203.A NH2 GLU 225.A OE1 no hydrogen 2.819 N/A HIS 204.A ND1 ASP 205.A OD1 no hydrogen 3.210 N/A ASP 205.A N SER 202.A OG no hydrogen 3.130 N/A ALA 206.A N SER 202.A O no hydrogen 2.954 N/A GLU 207.A N ARG 203.A O no hydrogen 2.789 N/A GLN 208.A N HIS 204.A O no hydrogen 3.144 N/A ILE 209.A N ASP 205.A O no hydrogen 2.890 N/A ALA 210.A N ALA 206.A O no hydrogen 2.904 N/A ARG 211.A N GLU 207.A O no hydrogen 2.656 N/A ARG 211.A NE GLN 208.A OE1 no hydrogen 2.847 N/A GLU 212.A N GLN 208.A O no hydrogen 2.851 N/A SER 213.A N ALA 210.A O no hydrogen 3.118 N/A SER 213.A OG ILE 209.A O no hydrogen 2.299 N/A SER 214.A N ASP 170.A O no hydrogen 3.043 N/A SER 216.A N GLN 219.A OE1 no hydrogen 3.483 N/A LYS 220.A N SER 216.A O no hydrogen 2.656 N/A LYS 220.A NZ ALA 210.A O no hydrogen 3.248 N/A LYS 220.A NZ SER 213.A O no hydrogen 2.467 N/A ALA 221.A N ASP 217.A O no hydrogen 2.987 N/A GLU 222.A N LYS 218.A O no hydrogen 3.443 N/A VAL 223.A N GLN 219.A O no hydrogen 3.088 N/A VAL 224.A N LYS 220.A O no hydrogen 3.100 N/A GLU 225.A N ALA 221.A O no hydrogen 3.126 N/A PHE 226.A N GLU 222.A O no hydrogen 2.730 N/A LEU 227.A N VAL 223.A O no hydrogen 2.792 N/A CYS 228.A N VAL 224.A O no hydrogen 3.313 N/A CYS 228.A SG ILE 201.A O no hydrogen 4.028 N/A CYS 228.A SG VAL 224.A O no hydrogen 3.211 N/A HIS 229.A N PHE 226.A O no hydrogen 3.349 N/A THR 234.A N PRO 230.A O no hydrogen 3.148 N/A THR 234.A OG1 PRO 230.A O no hydrogen 3.057 N/A THR 234.A OG1 VAL 319.A O no hydrogen 2.657 N/A ALA 235.A N GLU 231.A O no hydrogen 2.825 N/A ILE 236.A N ALA 232.A O no hydrogen 2.748 N/A CYS 237.A N ALA 233.A O no hydrogen 2.702 N/A CYS 237.A SG ALA 233.A O no hydrogen 3.360 N/A SER 238.A N THR 234.A O no hydrogen 2.981 N/A SER 238.A OG THR 234.A O no hydrogen 2.579 N/A SER 238.A OG ALA 235.A O no hydrogen 3.232 N/A SER 238.A OG TYR 313.A OH no hydrogen 2.883 N/A ALA 239.A N ALA 235.A O no hydrogen 3.158 N/A ALA 239.A N ILE 236.A O no hydrogen 3.157 N/A PHE 240.A N CYS 237.A O no hydrogen 3.102 N/A TYR 241.A N SER 238.A O no hydrogen 3.138 N/A GLN 242.A N ASP 154.A OD2 no hydrogen 2.756 N/A GLN 242.A NE2 ASP 154.A OD1 no hydrogen 2.785 N/A GLN 242.A NE2 ASP 154.A OD2 no hydrogen 3.367 N/A ASN 245.A ND2 GLN 242.A O no hydrogen 2.789 N/A VAL 246.A N SER 243.A O no hydrogen 2.856 N/A LEU 249.A N ASN 245.A O no hydrogen 2.843 N/A THR 250.A N VAL 246.A O no hydrogen 2.616 N/A THR 250.A OG1 VAL 246.A O no hydrogen 3.075 N/A LEU 251.A N ALA 248.A O no hydrogen 3.001 N/A THR 252.A N LEU 249.A O no hydrogen 3.120 N/A THR 252.A OG1 ALA 248.A O no hydrogen 2.488 N/A HIS 253.A ND1 LEU 249.A O no hydrogen 3.186 N/A ARG 255.A NH1 GLU 337.A OE1 no hydrogen 3.130 N/A ILE 256.A N THR 252.A O no hydrogen 2.939 N/A SER 257.A N HIS 253.A O no hydrogen 2.745 N/A SER 257.A OG HIS 253.A O no hydrogen 2.890 N/A LYS 258.A N GLU 254.A O no hydrogen 2.768 N/A ALA 259.A N ARG 255.A O no hydrogen 3.187 N/A SER 260.A N ILE 256.A O no hydrogen 2.827 N/A SER 260.A OG SER 257.A O no hydrogen 2.574 N/A GLU 261.A N SER 257.A O no hydrogen 2.683 N/A TYR 262.A N LYS 258.A O no hydrogen 2.488 N/A TYR 262.A OH ASN 304.A OD1 no hydrogen 2.881 N/A ASN 263.A N ALA 259.A O no hydrogen 3.282 N/A ASN 263.A N SER 260.A O no hydrogen 3.318 N/A ALA 264.A N GLU 261.A O no hydrogen 2.811 N/A GLU 265.A N GLU 261.A O no hydrogen 3.207 N/A SER 267.A N ASN 263.A O no hydrogen 3.131 N/A CYS 274.A N GLY 294.A O no hydrogen 2.864 N/A ASN 276.A N HIS 292.A O no hydrogen 2.866 N/A ILE 277.A N LYS 163.A O no hydrogen 2.805 N/A SER 278.A N THR 290.A O no hydrogen 2.826 N/A SER 278.A OG GLU 36.A OE1 no hydrogen 3.324 N/A ILE 279.A N SER 165.A O no hydrogen 2.778 N/A SER 280.A N TYR 288.A O no hydrogen 2.890 N/A GLN 281.A N ASN 167.A OD1 no hydrogen 2.569 N/A GLN 281.A NE2 HIS 229.A ND1 no hydrogen 3.665 N/A GLN 281.A NE2 GLY 285.A O no hydrogen 2.844 N/A GLN 281.A NE2 GLN 317.A OE1 no hydrogen 3.690 N/A SER 282.A N ASN 286.A O no hydrogen 2.968 N/A SER 282.A OG ASP 284.A OD1 no hydrogen 2.476 N/A GLY 285.A N SER 282.A O no hydrogen 2.552 N/A TYR 288.A N SER 280.A O no hydrogen 2.730 N/A VAL 289.A N TYR 313.A O no hydrogen 2.952 N/A THR 290.A N SER 278.A O no hydrogen 2.929 N/A SER 291.A N THR 311.A O no hydrogen 3.062 N/A SER 291.A OG ALA 239.A O no hydrogen 2.513 N/A HIS 292.A N ASN 276.A O no hydrogen 2.789 N/A HIS 292.A ND1 ASN 276.A O no hydrogen 2.809 N/A THR 293.A N ASN 309.A O no hydrogen 3.111 N/A GLY 294.A N CYS 274.A O no hydrogen 2.728 N/A VAL 295.A N LEU 307.A O no hydrogen 2.993 N/A ILE 297.A N GLY 306.A O no hydrogen 2.985 N/A ARG 302.A N PRO 299.A O no hydrogen 2.674 N/A ARG 302.A NH2 GLU 305.A OE1 no hydrogen 3.190 N/A GLU 305.A N ARG 302.A O no hydrogen 3.370 N/A THR 308.A N SER 336.A O no hydrogen 2.555 N/A THR 308.A OG1 THR 126.A OG1 no hydrogen 2.933 N/A ASN 309.A N THR 293.A O no hydrogen 2.898 N/A ASN 309.A ND2 ASN 245.A OD1 no hydrogen 3.193 N/A ARG 310.A N ALA 334.A O no hydrogen 2.709 N/A ARG 310.A NE ASP 99.A OD1 no hydrogen 3.441 N/A ARG 310.A NE THR 131.A OG1 no hydrogen 3.262 N/A ARG 310.A NH1 SER 127.A O no hydrogen 3.390 N/A ARG 310.A NH2 LEU 129.A O no hydrogen 2.389 N/A THR 311.A N SER 291.A O no hydrogen 2.953 N/A SER 312.A N ARG 332.A O no hydrogen 2.947 N/A TYR 313.A N VAL 289.A O no hydrogen 3.282 N/A TYR 313.A OH SER 238.A OG no hydrogen 2.883 N/A VAL 315.A N ILE 287.A O no hydrogen 2.898 N/A LYS 320.A N GLU 325.A OE1 no hydrogen 3.363 N/A LYS 320.A NZ ASP 198.A OD1 no hydrogen 2.896 N/A ILE 322.A N LYS 320.A O no hydrogen 2.651 N/A GLU 325.A N ILE 322.A O no hydrogen 3.019 N/A SER 327.A N GLU 325.A O no hydrogen 3.151 N/A SER 327.A OG ASP 324.A O no hydrogen 3.430 N/A SER 327.A OG GLU 325.A O no hydrogen 2.992 N/A ALA 328.A N GLU 325.A O no hydrogen 2.787 N/A ARG 332.A N SER 312.A O no hydrogen 2.699 N/A ARG 332.A NH2 TYR 288.A OH no hydrogen 3.221 N/A TYR 333.A OH ASP 141.A OD1 no hydrogen 3.337 N/A ALA 334.A N ARG 310.A O no hydrogen 3.000 N/A ALA 335.A N THR 132.A O no hydrogen 3.043 N/A SER 336.A N THR 308.A O no hydrogen 2.644 N/A SER 336.A OG SER 130.A O no hydrogen 3.425 N/A GLU 337.A N GLN 105.A O no hydrogen 3.001 N/A TYR 339.A N HIS 107.A O no hydrogen 3.339 N/A TYR 339.A OH GLU 337.A OE1 no hydrogen 2.511 N/A