Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mxo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ALA 140.A O no hydrogen 3.000 N/A MET 2.A N GLY 167.A O no hydrogen 2.964 N/A ALA 7.A N PRO 165.A O no hydrogen 2.932 N/A LYS 8.A NZ ALA 116.A O no hydrogen 3.284 N/A THR 10.A N ASP 121.A OD1 no hydrogen 3.057 N/A ARG 11.A N ILE 163.A O no hydrogen 2.862 N/A ARG 11.A NE GLU 124.A OE2 no hydrogen 2.868 N/A ARG 11.A NH1 TYR 5.A OH no hydrogen 3.205 N/A ARG 11.A NH1 ILE 111.A O no hydrogen 2.797 N/A ARG 11.A NH2 TYR 110.A O no hydrogen 2.830 N/A ARG 11.A NH2 GLU 124.A OE1 no hydrogen 2.939 N/A HIS 12.A N SER 122.A O no hydrogen 2.831 N/A HIS 12.A ND1 HIS 160.A NE2 no hydrogen 3.040 N/A ILE 13.A N LEU 161.A O no hydrogen 2.827 N/A PHE 14.A N GLU 124.A O no hydrogen 2.806 N/A LEU 15.A N THR 159.A O no hydrogen 2.782 N/A ILE 16.A N PHE 126.A O no hydrogen 2.754 N/A ARG 17.A N SER 157.A O no hydrogen 3.140 N/A ARG 17.A NH1 LEU 153.A O no hydrogen 2.775 N/A ARG 17.A NH1 ARG 187.A O no hydrogen 2.796 N/A ARG 17.A NH2 ARG 187.A O no hydrogen 3.250 N/A HIS 18.A N CYS 128.A O no hydrogen 2.929 N/A HIS 18.A ND1 SER 19.A O no hydrogen 2.792 N/A SER 19.A N THR 69.A OG1 no hydrogen 3.050 N/A SER 19.A OG GLY 37.A O no hydrogen 3.132 N/A GLN 20.A N GLN 40.A OE1 no hydrogen 2.983 N/A GLN 20.A NE2 SER 188.A OXT no hydrogen 2.911 N/A HIS 22.A N THR 32.A O no hydrogen 2.801 N/A GLY 25.A N HIS 22.A O no hydrogen 3.241 N/A LEU 27.A N ASP 30.A OD2 no hydrogen 2.905 N/A ASP 30.A N LEU 27.A O no hydrogen 2.881 N/A ARG 31.A N GLU 28.A O no hydrogen 3.078 N/A ARG 31.A NE GLY 25.A O no hydrogen 3.147 N/A ARG 31.A NH1 SER 26.A O no hydrogen 2.732 N/A LEU 33.A N GLU 68.A OE1 no hydrogen 2.881 N/A THR 34.A N GLN 20.A O no hydrogen 3.081 N/A THR 34.A OG1 GLN 20.A O no hydrogen 3.417 N/A THR 34.A OG1 GLN 20.A OE1 no hydrogen 2.620 N/A GLY 37.A N THR 34.A OG1 no hydrogen 2.872 N/A ARG 38.A N THR 34.A O no hydrogen 2.979 N/A GLU 39.A N PRO 35.A O no hydrogen 3.138 N/A GLN 40.A N LEU 36.A O no hydrogen 2.803 N/A GLN 40.A NE2 LYS 184.A O no hydrogen 2.921 N/A GLN 40.A NE2 THR 186.A OG1 no hydrogen 2.909 N/A ALA 41.A N GLY 37.A O no hydrogen 2.924 N/A GLU 42.A N ARG 38.A O no hydrogen 3.032 N/A LEU 43.A N GLU 39.A O no hydrogen 3.033 N/A THR 44.A N GLN 40.A O no hydrogen 2.914 N/A THR 44.A OG1 GLN 40.A O no hydrogen 3.015 N/A THR 44.A OG1 GLY 156.A O no hydrogen 2.722 N/A GLY 45.A N ALA 41.A O no hydrogen 2.790 N/A LEU 46.A N GLU 42.A O no hydrogen 2.884 N/A ARG 47.A N LEU 43.A O no hydrogen 2.967 N/A LEU 48.A N THR 44.A O no hydrogen 2.881 N/A ALA 49.A N GLY 45.A O no hydrogen 2.972 N/A SER 50.A N LEU 46.A O no hydrogen 3.076 N/A SER 50.A N ARG 47.A O no hydrogen 3.130 N/A SER 50.A OG ARG 47.A O no hydrogen 2.661 N/A LEU 51.A N LEU 48.A O no hydrogen 3.304 N/A LYS 54.A NZ PHE 55.A O no hydrogen 2.703 N/A ASN 56.A N TYR 123.A O no hydrogen 2.811 N/A LYS 57.A NZ.B GLU 124.A OE1 no hydrogen 2.979 N/A ILE 58.A N CYS 81.A O no hydrogen 2.772 N/A VAL 59.A N ILE 125.A O no hydrogen 2.786 N/A HIS 60.A N VAL 83.A O no hydrogen 2.796 N/A HIS 60.A ND1 SER 61.A O no hydrogen 2.820 N/A SER 61.A N ILE 127.A O no hydrogen 3.076 N/A SER 62.A N THR 85.A O no hydrogen 3.133 N/A SER 62.A OG ASP 86.A OD1 no hydrogen 2.503 N/A MET 63.A N SER 61.A OG no hydrogen 2.949 N/A THR 64.A N GLU 28.A OE2 no hydrogen 2.772 N/A THR 64.A OG1 GLU 28.A O no hydrogen 2.868 N/A THR 64.A OG1 GLU 28.A OE2 no hydrogen 2.847 N/A ARG 65.A NH1 GLU 90.A OE2.B no hydrogen 3.416 N/A ARG 65.A NH2 GLU 90.A OE1.A no hydrogen 2.817 N/A ARG 65.A NH2 GLU 90.A OE2.B no hydrogen 3.083 N/A ILE 67.A N MET 63.A O no hydrogen 2.872 N/A GLU 68.A N THR 64.A O no hydrogen 2.924 N/A THR 69.A N ARG 65.A O no hydrogen 3.141 N/A THR 69.A OG1 ARG 65.A O no hydrogen 2.815 N/A THR 70.A N ALA 66.A O no hydrogen 2.898 N/A THR 70.A OG1 ALA 66.A O no hydrogen 2.783 N/A ASP 71.A N ILE 67.A O no hydrogen 2.784 N/A ILE 72.A N GLU 68.A O no hydrogen 3.202 N/A ILE 73.A N THR 69.A O no hydrogen 3.024 N/A SER 74.A N THR 70.A O no hydrogen 2.821 N/A SER 74.A OG.A THR 70.A O no hydrogen 3.045 N/A SER 74.A OG.A ASP 71.A O no hydrogen 2.955 N/A ARG 75.A N ASP 71.A O no hydrogen 3.428 N/A ARG 75.A N ILE 72.A O no hydrogen 3.138 N/A HIS 76.A N ILE 73.A O no hydrogen 2.946 N/A HIS 76.A NE2 GLU 42.A OE1 no hydrogen 2.825 N/A LEU 77.A N SER 74.A O no hydrogen 2.853 N/A VAL 80.A N LEU 77.A O no hydrogen 3.237 N/A VAL 83.A N ILE 58.A O no hydrogen 2.806 N/A THR 85.A N HIS 60.A O no hydrogen 2.795 N/A THR 85.A OG1 TYR 110.A OH no hydrogen 2.853 N/A LEU 87.A N THR 85.A OG1 no hydrogen 3.061 N/A ARG 89.A N ASP 86.A O no hydrogen 3.062 N/A ARG 89.A NH1 SER 62.A OG no hydrogen 3.088 N/A GLU 98.A N GLN 95.A O no hydrogen 3.200 N/A ASP 99.A N GLN 95.A O no hydrogen 3.281 N/A GLY 100.A N TYR 96.A O no hydrogen 2.868 N/A ALA 101.A N TYR 97.A O no hydrogen 2.928 N/A ARG 102.A N GLU 98.A O no hydrogen 2.944 N/A ARG 102.A NE.A ARG 89.A O no hydrogen 3.192 N/A ARG 102.A NH1.A ASP 99.A OD1 no hydrogen 3.467 N/A ARG 102.A NH2.A ARG 89.A O no hydrogen 3.263 N/A ARG 102.A NH2.A ASP 99.A OD1 no hydrogen 2.829 N/A ILE 103.A N ASP 99.A O no hydrogen 3.149 N/A GLU 104.A N GLY 100.A O no hydrogen 3.203 N/A ALA 105.A N ALA 101.A O no hydrogen 2.936 N/A ALA 106.A N ARG 102.A O no hydrogen 2.873 N/A PHE 107.A N ILE 103.A O no hydrogen 3.019 N/A ARG 108.A N GLU 104.A O no hydrogen 2.940 N/A ARG 108.A NE GLU 104.A OE2 no hydrogen 2.693 N/A ARG 108.A NH2 GLU 104.A OE2 no hydrogen 3.168 N/A ASN 109.A N ALA 105.A O no hydrogen 2.778 N/A TYR 110.A N ALA 106.A O no hydrogen 3.069 N/A TYR 110.A OH THR 85.A OG1 no hydrogen 2.853 N/A ILE 111.A N PHE 107.A O no hydrogen 2.958 N/A HIS 112.A N PHE 107.A O no hydrogen 2.979 N/A HIS 112.A NE2 ASP 3.A O no hydrogen 2.691 N/A ARG 113.A N ARG 108.A O no hydrogen 3.124 N/A ARG 113.A NE ASN 109.A O no hydrogen 3.013 N/A ARG 117.A N ASP 115.A OD1 no hydrogen 3.119 N/A GLN 118.A N ASP 115.A O no hydrogen 3.069 N/A GLN 118.A NE2.A THR 10.A O no hydrogen 3.300 N/A GLN 118.A NE2.A GLU 120.A O no hydrogen 2.870 N/A GLN 118.A NE2.B GLU 120.A O no hydrogen 2.590 N/A SER 122.A N THR 10.A O no hydrogen 3.007 N/A SER 122.A OG GLU 124.A OE2 no hydrogen 2.708 N/A TYR 123.A N ASN 56.A OD1 no hydrogen 2.906 N/A GLU 124.A N HIS 12.A O no hydrogen 2.797 N/A ILE 125.A N LYS 57.A O no hydrogen 3.104 N/A PHE 126.A N PHE 14.A O no hydrogen 2.849 N/A ILE 127.A N VAL 59.A O no hydrogen 2.871 N/A CYS 128.A N ILE 16.A O no hydrogen 2.967 N/A VAL 132.A N HIS 129.A ND1 no hydrogen 3.372 N/A ILE 133.A N HIS 129.A O no hydrogen 3.090 N/A ARG 134.A N ALA 130.A O no hydrogen 2.908 N/A ARG 134.A NE ALA 130.A O no hydrogen 3.188 N/A ARG 134.A NH1 LEU 151.A O no hydrogen 2.820 N/A ARG 134.A NH2 ASN 131.A OD1 no hydrogen 2.693 N/A TYR 135.A N ASN 131.A O no hydrogen 3.003 N/A TYR 135.A OH GLU 104.A OE1 no hydrogen 2.571 N/A ILE 136.A N VAL 132.A O no hydrogen 2.934 N/A VAL 137.A N ILE 133.A O no hydrogen 2.990 N/A CYS 138.A N ARG 134.A O no hydrogen 3.080 N/A CYS 138.A SG ARG 134.A O no hydrogen 3.529 N/A CYS 138.A SG PRO 144.A O.A no hydrogen 3.992 N/A ARG 139.A N TYR 135.A O no hydrogen 2.816 N/A ARG 139.A NE GLU 104.A OE1 no hydrogen 2.810 N/A ARG 139.A NH2 GLU 104.A OE1 no hydrogen 3.534 N/A ARG 139.A NH2 GLU 104.A OE2 no hydrogen 2.790 N/A ALA 140.A N ILE 136.A O no hydrogen 2.807 N/A LEU 141.A N VAL 137.A O no hydrogen 3.056 N/A GLN 142.A N ARG 139.A O no hydrogen 3.173 N/A PHE 143.A N CYS 138.A O no hydrogen 2.815 N/A GLY 147.A N PRO 144.A O.A no hydrogen 2.845 N/A GLY 147.A N PRO 144.A O.B no hydrogen 3.055 N/A TRP 148.A N PRO 145.A O.A no hydrogen 2.950 N/A ARG 150.A N GLY 147.A O no hydrogen 2.941 N/A ARG 150.A NH1 GLU 146.A OE2.B no hydrogen 3.435 N/A ARG 150.A NH2 GLU 146.A OE2.B no hydrogen 3.266 N/A LEU 151.A N TRP 148.A O no hydrogen 3.238 N/A ASN 154.A ND2 THR 177.A OG1 no hydrogen 2.875 N/A ASN 155.A N THR 186.A O no hydrogen 2.826 N/A ASN 155.A ND2 HIS 18.A O no hydrogen 3.199 N/A GLY 156.A N HIS 18.A O no hydrogen 3.190 N/A SER 157.A N ASN 154.A O no hydrogen 3.051 N/A SER 157.A OG ASN 154.A O no hydrogen 2.733 N/A ILE 158.A N ASP 176.A O no hydrogen 2.885 N/A THR 159.A N LEU 15.A O no hydrogen 2.893 N/A HIS 160.A N THR 173.A O no hydrogen 2.862 N/A HIS 160.A NE2 HIS 12.A ND1 no hydrogen 3.040 N/A LEU 161.A N ILE 13.A O no hydrogen 2.944 N/A VAL 162.A N ALA 170.A O no hydrogen 2.706 N/A ILE 163.A N ARG 11.A O no hydrogen 2.834 N/A ARG 164.A N ARG 168.A O no hydrogen 2.874 N/A GLY 167.A N ARG 164.A O no hydrogen 2.862 N/A ARG 168.A N ASN 166.A OD1 no hydrogen 3.118 N/A ARG 168.A NE ASN 166.A OD1 no hydrogen 2.873 N/A ALA 170.A N VAL 162.A O no hydrogen 2.869 N/A ARG 172.A N HIS 160.A O no hydrogen 2.817 N/A GLY 175.A N THR 159.A OG1 no hydrogen 2.968 N/A ASP 176.A N ILE 158.A O no hydrogen 2.868 N/A GLY 178.A N ASP 176.A OD1 no hydrogen 2.713 N/A MET 180.A N THR 177.A O no hydrogen 3.006 N/A LYS 184.A N PRO 181.A O no hydrogen 2.849 N/A LYS 184.A NZ.A GLU 39.A OE1 no hydrogen 2.788 N/A LYS 184.A NZ.A GLU 39.A OE2 no hydrogen 3.560 N/A LYS 184.A NZ.B ASP 183.A OD1 no hydrogen 2.825 N/A ILE 185.A N PRO 182.A O no hydrogen 3.169 N/A THR 186.A OG1 ASN 155.A OD1 no hydrogen 2.758 N/A