Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7pu0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 146.A O no hydrogen 2.917 N/A GLY 8.A N ASP 47.A OD1 no hydrogen 2.941 N/A GLU 9.A N.A ASP 47.A OD1 no hydrogen 3.035 N/A GLU 9.A N.B ASP 47.A OD1 no hydrogen 3.036 N/A ARG 11.A N THR 48.A O no hydrogen 2.760 N/A ARG 12.A NE GLU 52.A OE2 no hydrogen 3.367 N/A ARG 12.A NH2 GLU 52.A OE1 no hydrogen 2.803 N/A VAL 13.A N HIS 50.A O no hydrogen 3.120 N/A THR 14.A OG1 LEU 29.A O no hydrogen 3.207 N/A MET 15.A N GLU 52.A O no hydrogen 2.996 N/A TYR 16.A N GLY 28.A O no hydrogen 2.834 N/A ALA 17.A N GLU 54.A O no hydrogen 3.179 N/A GLU 18.A N GLY 26.A O no hydrogen 2.938 N/A ARG 19.A NH2 ASP 58.A OD1 no hydrogen 3.028 N/A LEU 20.A N GLN 24.A O no hydrogen 2.629 N/A MET 25.A N ASN 133.A O no hydrogen 2.886 N/A GLY 26.A N GLU 18.A O no hydrogen 2.906 N/A TYR 27.A OH SER 62.A O no hydrogen 2.728 N/A GLY 28.A N TYR 16.A O no hydrogen 2.921 N/A LYS 31.A NZ GLU 54.A OE1 no hydrogen 3.179 N/A GLY 32.A N GLU 18.A OE1 no hydrogen 2.932 N/A GLY 32.A N GLU 18.A OE2 no hydrogen 2.764 N/A LYS 33.A N GLU 30.A O no hydrogen 3.012 N/A LYS 33.A NZ GLU 30.A OE2 no hydrogen 3.370 N/A SER 35.A N TYR 27.A O no hydrogen 3.009 N/A SER 35.A OG PRO 37.A O no hydrogen 2.914 N/A GLY 38.A N TYR 136.A O no hydrogen 2.615 N/A ILE 41.A N PRO 138.A O no hydrogen 3.058 N/A LEU 43.A N ILE 140.A O no hydrogen 2.873 N/A ASN 44.A N ASP 47.A OD2 no hydrogen 2.888 N/A GLU 45.A N ARG 142.A O no hydrogen 2.861 N/A GLY 46.A N THR 96.A OG1 no hydrogen 2.804 N/A ASP 47.A N ASN 44.A O no hydrogen 2.881 N/A THR 48.A N GLU 9.A O.A no hydrogen 2.969 N/A THR 48.A N GLU 9.A O.B no hydrogen 2.946 N/A LEU 49.A N TRP 94.A O no hydrogen 2.810 N/A HIS 50.A N ARG 11.A O no hydrogen 2.907 N/A HIS 50.A ND1 THR 93.A OG1 no hydrogen 2.779 N/A VAL 51.A N TYR 92.A O no hydrogen 2.629 N/A GLU 52.A N VAL 13.A O no hydrogen 2.893 N/A PHE 53.A N ARG 90.A O no hydrogen 2.684 N/A GLU 54.A N MET 15.A O no hydrogen 2.847 N/A ASN 55.A N GLY 88.A O no hydrogen 3.124 N/A ASN 55.A ND2 VAL 59.A O no hydrogen 2.836 N/A ASN 55.A ND2 VAL 84.A O no hydrogen 3.337 N/A ASN 55.A ND2 GLU 85.A O.A no hydrogen 3.288 N/A ASN 55.A ND2 GLU 85.A O.B no hydrogen 3.263 N/A THR 56.A N ALA 17.A O no hydrogen 3.180 N/A THR 56.A OG1 ALA 17.A O no hydrogen 2.807 N/A MET 57.A N ASN 55.A OD1 no hydrogen 2.867 N/A VAL 61.A N VAL 84.A O no hydrogen 3.194 N/A SER 62.A N ASP 119.A OD1 no hydrogen 2.983 N/A SER 62.A OG GLY 76.A O no hydrogen 2.573 N/A HIS 64.A N HIS 118.A O no hydrogen 2.875 N/A HIS 64.A ND1 ASP 75.A O no hydrogen 2.900 N/A HIS 66.A N HIS 116.A O no hydrogen 2.888 N/A LEU 68.A N HIS 66.A O no hydrogen 2.972 N/A ASP 69.A N ARG 95.A O no hydrogen 2.849 N/A SER 74.A N GLU 71.A O no hydrogen 2.917 N/A ASP 75.A N ILE 72.A O no hydrogen 3.145 N/A GLY 76.A N SER 82.A OG no hydrogen 3.055 N/A THR 77.A N SER 82.A OG no hydrogen 3.410 N/A THR 77.A OG1 ASP 75.A OD2 no hydrogen 2.852 N/A ASN 80.A N THR 77.A OG1 no hydrogen 3.206 N/A ASN 80.A ND2 ASP 75.A OD2 no hydrogen 2.960 N/A LYS 81.A N LYS 78.A O no hydrogen 2.968 N/A LYS 81.A NZ GLN 79.A O no hydrogen 3.498 N/A SER 82.A N THR 77.A O no hydrogen 3.008 N/A SER 82.A OG THR 77.A O no hydrogen 3.503 N/A VAL 84.A N VAL 61.A O no hydrogen 2.814 N/A GLU 85.A N.A GLU 85.A OE1.A no hydrogen 2.444 N/A GLY 88.A N GLU 85.A O.A no hydrogen 2.984 N/A GLY 88.A N GLU 85.A O.B no hydrogen 3.010 N/A ARG 90.A N PHE 53.A O no hydrogen 2.933 N/A THR 91.A OG1 GLU 52.A OE1 no hydrogen 3.327 N/A TYR 92.A N VAL 51.A O no hydrogen 2.767 N/A TYR 92.A OH SER 82.A O no hydrogen 2.566 N/A THR 93.A N SER 74.A OG no hydrogen 3.045 N/A THR 93.A OG1 HIS 50.A ND1 no hydrogen 2.779 N/A TRP 94.A N LEU 49.A O no hydrogen 2.812 N/A ARG 95.A N ASP 69.A O no hydrogen 2.628 N/A THR 96.A N ASP 47.A O no hydrogen 3.119 N/A THR 96.A OG1 ASN 44.A O no hydrogen 3.479 N/A THR 96.A OG1 ASP 47.A O no hydrogen 2.884 N/A HIS 97.A N SER 111.A OG no hydrogen 2.953 N/A HIS 97.A ND1 ASP 69.A OD2 no hydrogen 2.546 N/A HIS 97.A NE2 ALA 109.A O no hydrogen 2.595 N/A GLY 100.A N ARG 108.A O no hydrogen 3.134 N/A ARG 101.A NH2 GLY 105.A O no hydrogen 3.309 N/A ARG 102.A N THR 106.A O no hydrogen 2.769 N/A ARG 102.A NH1 THR 106.A OG1 no hydrogen 2.950 N/A GLY 105.A N ARG 102.A O no hydrogen 3.307 N/A THR 106.A N ASP 104.A OD1 no hydrogen 2.954 N/A THR 106.A OG1 ASP 104.A OD1 no hydrogen 2.421 N/A THR 106.A OG1 ASP 104.A OD2 no hydrogen 3.255 N/A ARG 108.A N GLY 100.A O no hydrogen 2.832 N/A SER 111.A N HIS 97.A O no hydrogen 2.974 N/A SER 111.A OG HIS 97.A ND1 no hydrogen 3.310 N/A SER 111.A OG HIS 97.A O no hydrogen 3.460 N/A ALA 112.A N GLU 45.A OE1 no hydrogen 2.993 N/A GLY 113.A N VAL 141.A O no hydrogen 2.901 N/A TYR 114.A OH GLU 182.A OE1 no hydrogen 2.694 N/A TRP 115.A N VAL 139.A O no hydrogen 2.778 N/A TRP 115.A NE1 SER 111.A O no hydrogen 2.826 N/A HIS 116.A NE2 ALA 228.A O no hydrogen 3.057 N/A TYR 117.A N GLY 137.A O no hydrogen 2.873 N/A TYR 117.A OH PRO 39.A O no hydrogen 2.702 N/A HIS 118.A N HIS 64.A O no hydrogen 2.825 N/A HIS 118.A ND1 ASP 119.A O no hydrogen 2.661 N/A ASP 119.A N LEU 135.A O no hydrogen 3.258 N/A HIS 120.A N SER 62.A OG no hydrogen 2.977 N/A HIS 120.A ND1 HIS 120.A O no hydrogen 2.740 N/A HIS 120.A ND1 GLU 125.A O no hydrogen 2.973 N/A VAL 121.A N ASP 119.A OD1 no hydrogen 3.129 N/A VAL 121.A N ASP 119.A OD2 no hydrogen 3.110 N/A VAL 122.A N ASP 119.A OD2 no hydrogen 2.687 N/A THR 124.A OG1 THR 128.A OG1 no hydrogen 3.256 N/A ALA 126.A N THR 124.A OG1 no hydrogen 3.054 N/A GLY 127.A N THR 124.A O no hydrogen 2.850 N/A THR 128.A N THR 124.A OG1 no hydrogen 3.328 N/A THR 128.A OG1 THR 124.A OG1 no hydrogen 3.256 N/A GLY 129.A N VAL 122.A O no hydrogen 3.150 N/A GLY 130.A N VAL 122.A O no hydrogen 3.169 N/A ILE 131.A N GLY 127.A O no hydrogen 2.852 N/A ARG 132.A N THR 128.A O no hydrogen 3.149 N/A ASN 133.A N GLY 129.A O no hydrogen 2.926 N/A GLY 134.A N GLY 130.A O no hydrogen 3.182 N/A GLY 134.A N ILE 131.A O no hydrogen 3.074 N/A LEU 135.A N GLY 130.A O no hydrogen 3.019 N/A TYR 136.A N GLY 134.A O no hydrogen 2.771 N/A TYR 136.A OH ASN 164.A OD1 no hydrogen 2.601 N/A GLY 137.A N TYR 117.A O no hydrogen 2.947 N/A VAL 139.A N TRP 115.A O no hydrogen 3.186 N/A ILE 140.A N ILE 41.A O no hydrogen 2.818 N/A VAL 141.A N GLY 113.A O no hydrogen 3.079 N/A ARG 142.A N LEU 43.A O no hydrogen 2.839 N/A ARG 142.A NE GLU 42.A OE1 no hydrogen 2.662 N/A ARG 142.A NH1 GLU 182.A OE1 no hydrogen 2.702 N/A ARG 142.A NH2 GLU 42.A OE1 no hydrogen 3.488 N/A ARG 142.A NH2 GLU 182.A OE1 no hydrogen 3.158 N/A ARG 142.A NH2 GLU 182.A OE2 no hydrogen 2.646 N/A ARG 143.A N ASP 146.A OD2 no hydrogen 2.822 N/A ARG 143.A NE GLU 45.A OE1 no hydrogen 3.413 N/A ARG 143.A NE GLU 45.A OE2 no hydrogen 3.033 N/A ARG 143.A NH2 GLU 45.A OE1 no hydrogen 2.824 N/A GLY 145.A N ALA 4.A O no hydrogen 2.902 N/A ASP 146.A N ARG 143.A O no hydrogen 2.948 N/A LEU 148.A N GLY 2.A O no hydrogen 3.046 N/A ASP 150.A N ARG 180.A O no hydrogen 2.857 N/A THR 152.A OG1 GLU 182.A OE2 no hydrogen 2.486 N/A HIS 153.A N GLU 182.A O no hydrogen 2.879 N/A ILE 155.A N VAL 184.A O no hydrogen 2.852 N/A VAL 156.A N ASN 163.A OD1 no hydrogen 2.814 N/A PHE 157.A N ILE 186.A O no hydrogen 2.884 N/A ASN 158.A N THR 161.A O no hydrogen 2.902 N/A ASN 158.A ND2 ILE 131.A O no hydrogen 3.289 N/A ASN 158.A ND2 ARG 132.A O no hydrogen 3.533 N/A ASN 158.A ND2 ASN 164.A OD1 no hydrogen 2.815 N/A ASP 159.A N HIS 188.A O no hydrogen 3.017 N/A THR 161.A N ASN 158.A O no hydrogen 2.834 N/A THR 161.A OG1 ASN 158.A O no hydrogen 3.021 N/A ASN 163.A N VAL 156.A O no hydrogen 2.950 N/A ASN 163.A ND2 THR 154.A O no hydrogen 3.224 N/A ASN 164.A ND2 GLN 24.A OE1 no hydrogen 3.093 N/A ASN 164.A ND2 ARG 132.A O no hydrogen 2.891 N/A ARG 165.A N ILE 162.A O no hydrogen 2.937 N/A ARG 165.A NE THR 169.A O no hydrogen 2.805 N/A ARG 165.A NE THR 169.A OG1 no hydrogen 3.338 N/A ARG 165.A NH2 THR 169.A O no hydrogen 3.085 N/A HIS 168.A N GLY 259.A O no hydrogen 3.330 N/A THR 169.A OG1 PRO 166.A O no hydrogen 2.931 N/A PHE 173.A N LEU 263.A O no hydrogen 3.006 N/A ALA 175.A N LEU 265.A O no hydrogen 2.858 N/A THR 176.A N ASP 179.A OD2 no hydrogen 2.954 N/A VAL 177.A N LYS 267.A O no hydrogen 2.881 N/A GLY 178.A N ALA 237.A O no hydrogen 2.852 N/A ASP 179.A N THR 176.A O no hydrogen 2.834 N/A ARG 180.A N ASP 150.A OD2 no hydrogen 2.972 N/A ARG 180.A NH1 GLN 234.A OE1 no hydrogen 2.859 N/A VAL 181.A N ILE 235.A O no hydrogen 2.850 N/A GLU 182.A N ALA 151.A O no hydrogen 2.839 N/A ILE 183.A N PHE 233.A O no hydrogen 2.974 N/A VAL 184.A N HIS 153.A O no hydrogen 2.951 N/A MET 185.A N PHE 231.A O no hydrogen 2.788 N/A ILE 186.A N ILE 155.A O no hydrogen 2.972 N/A THR 187.A N ASP 229.A O no hydrogen 3.063 N/A HIS 188.A N PHE 157.A O no hydrogen 2.816 N/A GLU 190.A N ASP 159.A OD1 no hydrogen 2.738 N/A HIS 193.A N CYS 225.A O no hydrogen 2.976 N/A PHE 195.A N LYS 223.A O no hydrogen 2.877 N/A HIS 196.A N HIS 249.A O no hydrogen 3.040 N/A HIS 196.A ND1 ASP 221.A O no hydrogen 2.828 N/A MET 197.A N ASP 221.A O no hydrogen 3.401 N/A HIS 198.A N MET 247.A O no hydrogen 2.784 N/A HIS 200.A ND1 HIS 198.A O no hydrogen 2.934 N/A TRP 202.A N ILE 220.A O no hydrogen 2.896 N/A ALA 203.A N GLY 208.A O no hydrogen 2.911 N/A ASP 204.A N GLN 218.A O no hydrogen 2.947 N/A ASN 205.A N ALA 203.A O no hydrogen 3.033 N/A ASN 205.A ND2 MET 209.A O no hydrogen 3.008 N/A ASN 205.A ND2 ASP 215.A OD2 no hydrogen 2.964 N/A ARG 206.A NH1 ASP 146.A OD2 no hydrogen 3.096 N/A ARG 206.A NH2 ASP 146.A OD1 no hydrogen 2.907 N/A GLY 208.A N ASN 205.A OD1 no hydrogen 2.780 N/A MET 209.A N THR 207.A OG1 no hydrogen 3.304 N/A THR 211.A N ASP 215.A OD2 no hydrogen 3.081 N/A ASP 215.A N GLY 212.A O no hydrogen 3.287 N/A SER 217.A N ASP 215.A OD1 no hydrogen 2.905 N/A SER 217.A OG ASP 215.A OD1 no hydrogen 2.661 N/A ILE 220.A N TRP 202.A O no hydrogen 2.842 N/A LYS 223.A N PHE 195.A O no hydrogen 3.034 N/A LYS 223.A NZ ASP 204.A OD1 no hydrogen 2.812 N/A LYS 223.A NZ ASP 204.A OD2 no hydrogen 3.516 N/A CYS 225.A N HIS 193.A O no hydrogen 2.918 N/A CYS 225.A SG THR 187.A OG1 no hydrogen 3.309 N/A CYS 225.A SG HIS 193.A O no hydrogen 3.805 N/A CYS 225.A SG LYS 223.A O no hydrogen 3.904 N/A GLY 226.A N ASP 229.A OD2 no hydrogen 2.789 N/A ALA 228.A N THR 187.A O no hydrogen 2.637 N/A ASP 229.A N GLY 226.A O no hydrogen 2.884 N/A SER 230.A OG TYR 114.A O no hydrogen 2.619 N/A PHE 231.A N MET 185.A O no hydrogen 2.964 N/A PHE 233.A N ILE 183.A O no hydrogen 3.137 N/A GLN 234.A NE2 VAL 147.A O no hydrogen 3.019 N/A GLN 234.A NE2 GLU 182.A OE1 no hydrogen 3.439 N/A ILE 235.A N VAL 181.A O no hydrogen 2.899 N/A ALA 237.A N ASP 179.A O no hydrogen 2.782 N/A GLY 238.A N HIS 200.A NE2 no hydrogen 3.056 N/A GLU 239.A N ILE 236.A O no hydrogen 3.065 N/A VAL 241.A N GLY 238.A O no hydrogen 2.947 N/A GLY 242.A N GLY 238.A O no hydrogen 2.631 N/A GLY 244.A N VAL 266.A O no hydrogen 2.878 N/A TRP 246.A N PHE 264.A O no hydrogen 2.840 N/A TRP 246.A NE1 GLY 242.A O no hydrogen 2.951 N/A TYR 248.A N GLY 262.A O no hydrogen 2.948 N/A TYR 248.A OH PRO 171.A O no hydrogen 2.564 N/A HIS 249.A N HIS 196.A O no hydrogen 3.011 N/A HIS 249.A ND1 CYS 250.A O no hydrogen 2.821 N/A CYS 250.A N MET 260.A O no hydrogen 3.091 N/A CYS 250.A SG HIS 193.A ND1 no hydrogen 3.801 N/A CYS 250.A SG THR 194.A O no hydrogen 3.509 N/A CYS 250.A SG HIS 255.A ND1 no hydrogen 3.393 N/A HIS 251.A N THR 194.A O no hydrogen 2.870 N/A HIS 251.A N THR 194.A OG1 no hydrogen 3.177 N/A HIS 251.A ND1 HIS 251.A O no hydrogen 2.754 N/A SER 256.A N VAL 252.A O no hydrogen 2.958 N/A SER 256.A OG HIS 249.A ND1 no hydrogen 2.989 N/A SER 256.A OG CYS 250.A O no hydrogen 3.462 N/A ASP 257.A N GLN 253.A O no hydrogen 2.937 N/A MET 258.A N SER 254.A O no hydrogen 2.883 N/A GLY 259.A N HIS 255.A O no hydrogen 3.270 N/A GLY 259.A N SER 256.A O no hydrogen 3.227 N/A MET 260.A N HIS 255.A O no hydrogen 3.034 N/A GLY 262.A N TYR 248.A O no hydrogen 2.900 N/A LEU 263.A N ASN 172.A OD1 no hydrogen 3.024 N/A PHE 264.A N TRP 246.A O no hydrogen 2.573 N/A LEU 265.A N PHE 173.A O no hydrogen 2.732 N/A VAL 266.A N GLY 244.A O no hydrogen 2.998 N/A LYS 267.A N ALA 175.A O no hydrogen 2.854 N/A LYS 267.A NZ GLU 174.A OE1 no hydrogen 2.469 N/A LYS 268.A N THR 272.A O no hydrogen 2.719 N/A GLY 271.A N LYS 268.A O no hydrogen 2.864 N/A THR 272.A N ASP 270.A OD1 no hydrogen 2.931 N/A THR 272.A OG1 ASP 270.A OD1 no hydrogen 2.525 N/A THR 272.A OG1 ASP 270.A OD2 no hydrogen 3.423 N/A TYR 276.A N ILE 273.A O no hydrogen 3.385 N/A GLN 279.A N ASP 277.A OD1 no hydrogen 2.992 N/A GLU 280.A N ASP 277.A O no hydrogen 3.051 N/A