Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mpu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLY 131.A O no hydrogen 3.465 N/A ILE 1.A N ASP 132.A O no hydrogen 2.792 N/A ILE 1.A N ASP 193.A OD2 no hydrogen 2.752 N/A VAL 2.A N ASP 188.A O no hydrogen 2.735 N/A GLN 5.A N GLN 147.A O no hydrogen 2.971 N/A ALA 7.A N LEU 145.A O no hydrogen 2.883 N/A LYS 11.A N.A PRO 8.A O no hydrogen 3.015 N/A LYS 11.A N.B PRO 8.A O no hydrogen 3.052 N/A TRP 12.A NE1 GLN 147.A OE1 no hydrogen 2.837 N/A GLN 15.A N TRP 12.A O no hydrogen 3.187 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 3.123 N/A VAL 16.A N GLY 31.A O no hydrogen 2.969 N/A SER 17.A N GLN 59.A O no hydrogen 2.837 N/A SER 17.A OG HIS 27.A ND1 no hydrogen 2.665 N/A LEU 18.A N CYS 29.A O no hydrogen 2.863 N/A ARG 19.A N ARG 57.A O no hydrogen 2.802 N/A ARG 19.A NE SER 17.A OG no hydrogen 2.840 N/A ARG 19.A NH1 TRP 25.A O no hydrogen 2.912 N/A ARG 19.A NH1 ASP 69.A OD2 no hydrogen 2.798 N/A ARG 19.A NH2 ASP 69.A OD1 no hydrogen 2.852 N/A ARG 19.A NH2 ASP 69.A OD2 no hydrogen 3.565 N/A VAL 20.A N MET 26.A O no hydrogen 2.942 N/A HIS 21.A N ALA 55.A O no hydrogen 3.005 N/A MET 26.A N VAL 20.A O no hydrogen 3.102 N/A HIS 27.A N TYR 66.A OH no hydrogen 2.902 N/A HIS 27.A ND1 SER 17.A OG no hydrogen 2.665 N/A HIS 27.A NE2 GLY 192.A O no hydrogen 2.832 N/A PHE 28.A N LEU 18.A O no hydrogen 2.980 N/A CYS 29.A SG PHE 28.A O no hydrogen 3.044 N/A GLY 30.A N SER 194.A O no hydrogen 2.715 N/A GLY 31.A N VAL 16.A O no hydrogen 3.074 N/A SER 32.A N LEU 40.A O no hydrogen 2.929 N/A SER 32.A OG GLN 208.A OE1 no hydrogen 2.643 N/A LEU 33.A N TRP 14.A O no hydrogen 2.858 N/A ILE 34.A N TRP 38.A O no hydrogen 3.003 N/A HIS 35.A N TRP 38.A O no hydrogen 3.405 N/A GLN 37.A N HIS 35.A ND1 no hydrogen 3.047 N/A TRP 38.A N HIS 35.A O no hydrogen 3.012 N/A VAL 39.A N LEU 95.A O no hydrogen 2.869 N/A LEU 40.A N SER 32.A O no hydrogen 2.829 N/A THR 41.A N ALA 93.A O no hydrogen 2.939 N/A THR 41.A OG1 GLY 30.A O no hydrogen 2.825 N/A ALA 42.A N THR 41.A OG1 no hydrogen 2.775 N/A HIS 44.A N ASP 91.A OD1 no hydrogen 2.825 N/A HIS 44.A ND1 ASP 91.A OD2 no hydrogen 2.595 N/A CYS 45.A N ALA 42.A O no hydrogen 3.147 N/A CYS 45.A SG SER 194.A O no hydrogen 3.644 N/A VAL 46.A N ALA 43.A O no hydrogen 3.001 N/A LYS 51.A NZ ASP 49.A O no hydrogen 2.773 N/A ALA 54.A N ASP 52.A OD1 no hydrogen 3.032 N/A ALA 55.A N ASP 52.A O no hydrogen 2.953 N/A LEU 56.A N LEU 53.A O no hydrogen 3.007 N/A ARG 57.A N ARG 19.A O no hydrogen 2.980 N/A VAL 58.A N LEU 72.A O no hydrogen 2.911 N/A GLN 59.A N SER 17.A O no hydrogen 2.831 N/A GLN 59.A NE2 LEU 60.A O no hydrogen 2.934 N/A ARG 61.A NE.A LYS 11.A O.A no hydrogen 2.833 N/A ARG 61.A NE.A LYS 11.A O.B no hydrogen 3.149 N/A ARG 61.A NE.B LYS 11.A O.A no hydrogen 2.983 N/A ARG 61.A NE.B LYS 11.A O.B no hydrogen 3.142 N/A ARG 61.A NE.B TRP 12.A O no hydrogen 3.177 N/A ARG 61.A NH1.A LYS 11.A O.A no hydrogen 2.921 N/A ARG 61.A NH1.A LYS 11.A O.B no hydrogen 2.896 N/A ARG 61.A NH1.A GLN 63.A OE1 no hydrogen 3.010 N/A ARG 61.A NH1.B LYS 11.A O.A no hydrogen 2.967 N/A ARG 61.A NH1.B LYS 11.A O.B no hydrogen 2.861 N/A ARG 61.A NH1.B GLN 63.A OE1 no hydrogen 3.090 N/A ARG 61.A NH2.A GLN 63.A OE1 no hydrogen 2.808 N/A ARG 61.A NH2.B GLU 62.A O no hydrogen 3.214 N/A ARG 61.A NH2.B GLN 63.A OE1 no hydrogen 2.895 N/A GLN 63.A NE2 GLU 6.A OE2.B no hydrogen 2.864 N/A GLN 63.A NE2 ALA 7.A O no hydrogen 2.653 N/A LEU 65.A N PHE 143.A O no hydrogen 3.118 N/A TYR 66.A N GLU 62.A OE1 no hydrogen 3.320 N/A GLN 70.A N GLN 59.A OE1 no hydrogen 2.783 N/A LEU 72.A N VAL 58.A O no hydrogen 2.782 N/A SER 75.A N GLU 96.A O no hydrogen 2.785 N/A SER 75.A OG.A GLU 96.A O no hydrogen 3.178 N/A SER 75.A OG.A LEU 97.A O no hydrogen 3.346 N/A ARG 76.A N GLU 96.A O no hydrogen 3.411 N/A ILE 78.A N LEU 94.A O no hydrogen 2.762 N/A HIS 80.A N ILE 92.A O no hydrogen 3.133 N/A GLN 82.A N HIS 80.A ND1 no hydrogen 3.009 N/A PHE 83.A N HIS 80.A O no hydrogen 3.026 N/A THR 85.A OG1 GLN 87.A OE1 no hydrogen 3.566 N/A ILE 88.A N THR 85.A O no hydrogen 3.167 N/A ILE 88.A N THR 85.A OG1 no hydrogen 3.303 N/A GLY 89.A N THR 85.A O no hydrogen 3.063 N/A ALA 90.A N ASP 178.A OD2 no hydrogen 2.910 N/A ILE 92.A N ALA 90.A O no hydrogen 2.879 N/A ALA 93.A N THR 41.A O no hydrogen 2.917 N/A LEU 94.A N ILE 78.A O no hydrogen 2.739 N/A LEU 95.A N VAL 39.A O no hydrogen 2.794 N/A GLU 96.A N ARG 76.A O no hydrogen 2.971 N/A LEU 97.A N GLN 37.A O no hydrogen 2.878 N/A GLU 98.A N PRO 73.A O no hydrogen 3.179 N/A VAL 101.A N PRO 36.A O no hydrogen 2.737 N/A SER 104.A N VAL 107.A O no hydrogen 2.820 N/A SER 104.A OG HIS 106.A ND1.A no hydrogen 3.109 N/A SER 105.A OG HIS 106.A ND1.A no hydrogen 3.078 N/A HIS 106.A N.A HIS 106.A ND1.A no hydrogen 2.695 N/A VAL 107.A N SER 104.A OG no hydrogen 3.372 N/A HIS 108.A N PRO 13.A O no hydrogen 3.187 N/A HIS 108.A ND1 THR 109.A O no hydrogen 2.945 N/A VAL 110.A N LEU 33.A O no hydrogen 2.975 N/A GLU 117.A N PRO 114.A O no hydrogen 3.077 N/A PHE 119.A N GLU 117.A OE2 no hydrogen 2.791 N/A MET 123.A N PRO 120.A O no hydrogen 3.169 N/A CYS 125.A SG MET 123.A O no hydrogen 3.723 N/A TRP 126.A N VAL 199.A O no hydrogen 2.824 N/A VAL 127.A N VAL 148.A O no hydrogen 3.008 N/A THR 128.A OG1 GLN 15.A OE1 no hydrogen 2.594 N/A GLY 129.A N LYS 146.A O no hydrogen 3.014 N/A GLY 131.A N ASP 193.A OD1 no hydrogen 2.763 N/A ASP 132.A N GLN 191.A O.A no hydrogen 2.809 N/A ASP 132.A N GLN 191.A O.B no hydrogen 2.671 N/A VAL 133.A N GLU 137.A O.A no hydrogen 2.850 N/A VAL 133.A N GLU 137.A O.B no hydrogen 3.036 N/A ASN 135.A N ASP 134.A OD1 no hydrogen 2.889 N/A ASN 135.A ND2 CYS 218.A O no hydrogen 3.031 N/A ASN 135.A ND2 GLN 220.A OE1 no hydrogen 3.347 N/A GLU 137.A N.A ASP 134.A O no hydrogen 2.996 N/A GLU 137.A N.B ASP 134.A O no hydrogen 2.950 N/A ARG 138.A NE ASP 132.A OD1 no hydrogen 2.908 N/A ARG 138.A NH2 ASP 132.A OD2 no hydrogen 2.894 N/A PHE 143.A N PRO 140.A O no hydrogen 2.831 N/A LEU 145.A N GLN 63.A O no hydrogen 2.916 N/A LYS 146.A N GLY 129.A O no hydrogen 3.048 N/A LYS 146.A NZ ILE 1.A O no hydrogen 2.718 N/A GLN 147.A N GLN 5.A O no hydrogen 2.932 N/A VAL 148.A N VAL 127.A O no hydrogen 2.976 N/A VAL 150.A N CYS 125.A O no hydrogen 2.840 N/A MET 153.A N CYS 181.A O no hydrogen 3.004 N/A ASN 155.A ND2 MET 179.A O no hydrogen 2.877 N/A CYS 158.A N GLU 154.A O no hydrogen 2.928 N/A ASP 159.A N ASN 155.A O no hydrogen 2.741 N/A ALA 160.A N HIS 156.A O no hydrogen 2.960 N/A LYS 161.A N.A ILE 157.A O no hydrogen 3.002 N/A LYS 161.A N.B ILE 157.A O no hydrogen 2.932 N/A TYR 162.A N CYS 158.A O no hydrogen 3.001 N/A TYR 162.A OH PRO 224.A O no hydrogen 2.745 N/A HIS 163.A N ASP 159.A O no hydrogen 3.281 N/A HIS 163.A N ALA 160.A O no hydrogen 3.022 N/A HIS 163.A ND1 ASP 159.A O no hydrogen 2.714 N/A HIS 163.A NE2 VAL 172.A O no hydrogen 2.698 N/A LEU 164.A N ALA 160.A O no hydrogen 3.290 N/A LEU 164.A N LYS 161.A O.A no hydrogen 2.916 N/A LEU 164.A N LYS 161.A O.B no hydrogen 3.097 N/A ALA 166.A N HIS 163.A O no hydrogen 3.053 N/A VAL 172.A N GLY 169.A O no hydrogen 2.886 N/A ARG 173.A NH2 ASP 177.A OD1 no hydrogen 2.849 N/A ILE 174.A N ASP 159.A OD1 no hydrogen 2.783 N/A VAL 175.A N ASP 159.A OD1 no hydrogen 3.027 N/A MET 179.A N ARG 176.A O no hydrogen 3.082 N/A LEU 180.A N TYR 227.A O no hydrogen 2.790 N/A ALA 182.A N GLY 225.A O no hydrogen 2.904 N/A GLY 183.A N PRO 151.A O no hydrogen 2.890 N/A ASN 184.A N ARG 187.A O no hydrogen 2.871 N/A ARG 186.A N ASN 184.A OD1 no hydrogen 2.880 N/A ARG 187.A N ASN 184.A O no hydrogen 3.463 N/A ARG 187.A NH2 LYS 149.A O no hydrogen 3.048 N/A ASP 188.A N VAL 2.A O no hydrogen 3.156 N/A SER 189.A N ASP 188.A OD1 no hydrogen 2.923 N/A SER 189.A OG ASP 188.A OD1 no hydrogen 3.500 N/A CYS 190.A N ASP 193.A OD2 no hydrogen 2.837 N/A ASP 193.A N CYS 190.A O no hydrogen 2.885 N/A SER 194.A OG HIS 44.A NE2 no hydrogen 3.117 N/A GLY 195.A N VAL 212.A O no hydrogen 2.927 N/A GLY 196.A N ASP 193.A O no hydrogen 3.044 N/A LEU 198.A N GLY 210.A O no hydrogen 2.911 N/A VAL 199.A N TRP 126.A O no hydrogen 2.856 N/A CYS 200.A N LEU 207.A O no hydrogen 2.915 N/A LYS 201.A N PRO 124.A O no hydrogen 3.215 N/A VAL 202.A N THR 205.A O.A no hydrogen 3.131 N/A VAL 202.A N THR 205.A O.B no hydrogen 2.760 N/A THR 205.A N.A VAL 202.A O no hydrogen 3.110 N/A THR 205.A N.B VAL 202.A O no hydrogen 3.064 N/A THR 205.A OG1.B VAL 202.A O no hydrogen 2.901 N/A LEU 207.A N CYS 200.A O no hydrogen 2.881 N/A GLN 208.A N THR 111.A O no hydrogen 2.964 N/A GLN 208.A NE2 GLY 210.A O no hydrogen 2.952 N/A ALA 209.A N LEU 198.A O no hydrogen 2.837 N/A GLY 210.A N LEU 198.A O no hydrogen 3.201 N/A VAL 211.A N THR 228.A O no hydrogen 2.952 N/A VAL 212.A N GLY 196.A O no hydrogen 2.851 N/A SER 213.A N ILE 226.A O no hydrogen 3.040 N/A SER 213.A OG ASP 91.A OD2 no hydrogen 2.587 N/A TRP 214.A N ILE 226.A O no hydrogen 2.962 N/A GLU 216.A N TYR 162.A OH no hydrogen 3.122 N/A CYS 218.A N ASN 135.A OD1 no hydrogen 2.933 N/A CYS 218.A SG SER 189.A O no hydrogen 3.811 N/A ALA 219.A N ASP 188.A OD2 no hydrogen 2.875 N/A ARG 223.A N GLN 220.A O no hydrogen 3.119 N/A ARG 223.A NE GLU 216.A OE1.B no hydrogen 2.552 N/A ARG 223.A NE GLU 216.A OE2.A no hydrogen 3.228 N/A ARG 223.A NH1 LEU 164.A O no hydrogen 2.931 N/A ARG 223.A NH1 ASN 222.A O no hydrogen 3.018 N/A ARG 223.A NH2 LEU 164.A O no hydrogen 2.775 N/A ILE 226.A N TRP 214.A O no hydrogen 2.817 N/A TYR 227.A N LEU 180.A O no hydrogen 2.834 N/A THR 228.A N VAL 211.A O no hydrogen 2.835 N/A THR 228.A OG1 ASP 91.A O no hydrogen 2.660 N/A ARG 229.A N ASP 178.A O no hydrogen 2.872 N/A ARG 229.A NE MET 179.A O no hydrogen 2.991 N/A ARG 229.A NH1 ASN 155.A OD1 no hydrogen 2.878 N/A ARG 229.A NH1 MET 179.A O no hydrogen 3.420 N/A ARG 229.A NH2 THR 118.A O no hydrogen 2.908 N/A VAL 230.A N ALA 209.A O no hydrogen 3.061 N/A TYR 232.A N ARG 229.A O no hydrogen 3.064 N/A TYR 233.A N VAL 230.A O no hydrogen 2.976 N/A TYR 233.A OH ASP 178.A OD2 no hydrogen 2.606 N/A LEU 234.A N THR 231.A O no hydrogen 3.496 N/A ILE 237.A N TYR 233.A O no hydrogen 2.870 N/A HIS 238.A N LEU 234.A O no hydrogen 2.913 N/A HIS 239.A N ASP 235.A O no hydrogen 3.158 N/A HIS 239.A N TRP 236.A O no hydrogen 3.040 N/A TYR 240.A N ILE 237.A O no hydrogen 2.915 N/A VAL 241.A N ILE 237.A O no hydrogen 2.882 N/A