Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dwu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A ND1 HIS 1.A O no hydrogen 2.740 N/A VAL 5.A N PRO 65.A O no hydrogen 2.798 N/A ILE 6.A N SER 30.A O no hydrogen 2.785 N/A GLY 7.A N ALA 68.A O no hydrogen 2.949 N/A VAL 8.A N CYS 32.A O.A no hydrogen 2.844 N/A VAL 8.A N CYS 32.A O.B no hydrogen 2.937 N/A LEU 9.A N VAL 70.A O no hydrogen 3.001 N/A ASP 10.A N ILE 34.A O.A no hydrogen 2.968 N/A ASP 10.A N ILE 34.A O.B no hydrogen 3.011 N/A GLY 12.A N ASP 10.A OD2 no hydrogen 2.932 N/A GLY 15.A N ASP 10.A OD2 no hydrogen 2.779 N/A LEU 16.A N VAL 13.A O.A no hydrogen 2.880 N/A LEU 16.A N VAL 13.A O.B no hydrogen 2.988 N/A THR 17.A N GLY 14.A O no hydrogen 2.998 N/A THR 17.A OG1 GLY 14.A O no hydrogen 3.100 N/A THR 17.A OG1 THR 185.A O no hydrogen 2.867 N/A ALA 19.A N GLY 15.A O no hydrogen 2.915 N/A SER 20.A N.A LEU 16.A O no hydrogen 2.900 N/A SER 20.A N.B LEU 16.A O no hydrogen 2.885 N/A SER 20.A OG.A LEU 16.A O no hydrogen 3.305 N/A SER 20.A OG.A THR 17.A O no hydrogen 2.765 N/A GLU 21.A N THR 17.A O no hydrogen 3.305 N/A ILE 22.A N VAL 18.A O no hydrogen 3.054 N/A ILE 23.A N ALA 19.A O no hydrogen 2.922 N/A ARG 24.A N SER 20.A O.A no hydrogen 2.987 N/A ARG 24.A N SER 20.A O.B no hydrogen 3.015 N/A ARG 24.A NE GLU 21.A OE2 no hydrogen 2.976 N/A ARG 24.A NH2 GLU 21.A OE1 no hydrogen 2.809 N/A GLN 25.A N GLU 21.A O no hydrogen 2.917 N/A GLN 25.A NE2 GLU 21.A OE1 no hydrogen 2.857 N/A GLN 25.A NE2 GLU 209.A O no hydrogen 3.137 N/A LEU 26.A N ILE 22.A O no hydrogen 2.795 N/A GLU 29.A N LEU 26.A O no hydrogen 3.050 N/A ILE 31.A N.A HIS 233.A ND1 no hydrogen 2.974 N/A ILE 31.A N.B HIS 233.A ND1 no hydrogen 3.025 N/A CYS 32.A N.A ILE 6.A O no hydrogen 2.976 N/A CYS 32.A N.B ILE 6.A O no hydrogen 2.997 N/A TYR 33.A N ARG 234.A O no hydrogen 2.905 N/A TYR 33.A OH GLY 12.A O no hydrogen 2.734 N/A ILE 34.A N.A VAL 8.A O no hydrogen 2.887 N/A ILE 34.A N.B VAL 8.A O no hydrogen 2.907 N/A GLY 35.A N PHE 236.A O no hydrogen 2.869 N/A ASP 36.A N ASP 10.A O no hydrogen 3.070 N/A GLU 38.A N THR 238.A OG1 no hydrogen 2.946 N/A ARG 39.A N ASP 36.A O no hydrogen 2.895 N/A ARG 39.A NE ASP 36.A OD2 no hydrogen 2.781 N/A ARG 39.A NH1 GLU 56.A OE1 no hydrogen 2.963 N/A ARG 39.A NH2 ASP 36.A OD2 no hydrogen 3.152 N/A ARG 39.A NH2 GLU 56.A OE1 no hydrogen 2.751 N/A CYS 40.A N ASN 37.A O no hydrogen 3.244 N/A CYS 40.A SG SER 11.A OG no hydrogen 3.657 N/A TYR 42.A OH ASP 36.A OD2 no hydrogen 2.606 N/A ARG 45.A N TYR 42.A O no hydrogen 2.930 N/A ARG 45.A NE ARG 39.A O no hydrogen 3.003 N/A ARG 45.A NE PRO 41.A O no hydrogen 3.197 N/A ARG 45.A NH1 GLU 49.A OE2 no hydrogen 2.710 N/A ARG 45.A NH2 ARG 39.A O no hydrogen 3.065 N/A GLU 49.A N SER 46.A OG no hydrogen 3.191 N/A VAL 50.A N SER 46.A O no hydrogen 2.983 N/A GLN 51.A N VAL 47.A O no hydrogen 2.886 N/A GLN 51.A NE2 ALA 79.A O no hydrogen 2.920 N/A SER 52.A N.A GLU 48.A O no hydrogen 3.087 N/A SER 52.A N.B GLU 48.A O no hydrogen 3.094 N/A SER 52.A OG.B GLU 49.A O no hydrogen 2.657 N/A PHE 53.A N GLU 49.A O no hydrogen 2.997 N/A VAL 54.A N VAL 50.A O no hydrogen 2.919 N/A PHE 55.A N GLN 51.A O no hydrogen 2.997 N/A GLU 56.A N SER 52.A O.A no hydrogen 3.122 N/A GLU 56.A N SER 52.A O.B no hydrogen 3.107 N/A MET 57.A N PHE 53.A O no hydrogen 3.079 N/A VAL 58.A N VAL 54.A O no hydrogen 2.878 N/A GLU 59.A N PHE 55.A O no hydrogen 3.041 N/A PHE 60.A N GLU 56.A O no hydrogen 3.180 N/A LEU 61.A N MET 57.A O no hydrogen 2.908 N/A LYS 62.A N VAL 58.A O no hydrogen 2.883 N/A LYS 62.A NZ GLU 59.A OE1 no hydrogen 3.012 N/A GLN 63.A N PHE 60.A O no hydrogen 3.210 N/A PHE 64.A N LEU 61.A O no hydrogen 2.976 N/A LYS 67.A N VAL 5.A O no hydrogen 2.887 N/A LYS 67.A NZ GLU 29.A OE1 no hydrogen 2.830 N/A LYS 67.A NZ GLU 29.A OE2 no hydrogen 3.539 N/A LYS 67.A NZ ILE 224.A O no hydrogen 2.734 N/A LEU 69.A N PRO 91.A O no hydrogen 2.974 N/A VAL 70.A N GLY 7.A O no hydrogen 2.797 N/A VAL 71.A N ILE 93.A O no hydrogen 2.865 N/A ALA 72.A N LEU 9.A O no hydrogen 2.924 N/A THR 75.A OG1 THR 117.A OG1 no hydrogen 2.728 N/A THR 75.A OG1 THR 120.A OG1 no hydrogen 3.376 N/A ALA 77.A N CYS 73.A O no hydrogen 2.859 N/A ALA 78.A N ASN 74.A O no hydrogen 2.946 N/A ALA 79.A N THR 75.A O no hydrogen 3.159 N/A THR 80.A N.A ALA 76.A O no hydrogen 2.869 N/A THR 80.A N.B ALA 76.A O no hydrogen 2.807 N/A THR 80.A OG1.B ALA 76.A O no hydrogen 2.973 N/A LEU 81.A N ALA 77.A O no hydrogen 2.972 N/A LEU 84.A N THR 80.A O.A no hydrogen 2.968 N/A LEU 84.A N THR 80.A O.B no hydrogen 3.031 N/A GLN 85.A N LEU 81.A O no hydrogen 2.973 N/A GLN 85.A NE2 VAL 92.A O no hydrogen 2.933 N/A GLU 86.A N ALA 82.A O no hydrogen 3.079 N/A ALA 87.A N ALA 83.A O no hydrogen 2.954 N/A LEU 88.A N LEU 84.A O no hydrogen 2.865 N/A ILE 93.A N LEU 69.A O no hydrogen 2.801 N/A ALA 100.A N ILE 96.A O no hydrogen 3.026 N/A ARG 101.A N HIS 97.A O no hydrogen 2.919 N/A ARG 101.A NE GLU 214.A OE1 no hydrogen 2.884 N/A ARG 101.A NH2 GLU 214.A OE1 no hydrogen 3.567 N/A ARG 101.A NH2 GLU 214.A OE2 no hydrogen 2.928 N/A ALA 102.A N PRO 98.A O no hydrogen 3.020 N/A ALA 103.A N GLY 99.A O no hydrogen 2.964 N/A ILE 104.A N ALA 100.A O no hydrogen 3.037 N/A LYS 105.A N ARG 101.A O no hydrogen 3.174 N/A VAL 106.A N ALA 102.A O no hydrogen 3.055 N/A THR 107.A N ALA 103.A O no hydrogen 2.972 N/A THR 107.A OG1 ASP 178.A OD1 no hydrogen 2.734 N/A THR 107.A OG1 ASP 178.A OD2 no hydrogen 3.460 N/A LYS 108.A N ASP 178.A OD2 no hydrogen 2.865 N/A LYS 109.A N.A ASP 178.A OD2 no hydrogen 2.883 N/A LYS 109.A N.B ASP 178.A OD2 no hydrogen 2.945 N/A LYS 109.A NZ.A ASP 176.A OD1 no hydrogen 2.806 N/A LYS 109.A NZ.A ASP 176.A OD2 no hydrogen 3.369 N/A LYS 109.A NZ.B ASP 176.A OD1 no hydrogen 2.586 N/A LYS 109.A NZ.B ASP 176.A OD2 no hydrogen 2.985 N/A GLY 110.A N THR 107.A OG1 no hydrogen 2.828 N/A ILE 112.A N LYS 138.A O no hydrogen 2.884 N/A GLY 113.A N THR 179.A O no hydrogen 2.787 N/A VAL 114.A N.A HIS 140.A O no hydrogen 2.952 N/A VAL 114.A N.B HIS 140.A O no hydrogen 2.905 N/A ILE 115.A N ILE 181.A O no hydrogen 3.226 N/A THR 117.A OG1 THR 75.A OG1 no hydrogen 2.728 N/A THR 117.A OG1 THR 120.A OG1 no hydrogen 3.107 N/A GLY 119.A N GLY 43.A O no hydrogen 3.065 N/A THR 120.A N THR 117.A OG1 no hydrogen 3.055 N/A THR 120.A OG1 THR 75.A OG1 no hydrogen 3.376 N/A THR 120.A OG1 THR 117.A OG1 no hydrogen 3.107 N/A ILE 121.A N THR 117.A O no hydrogen 2.935 N/A GLN 122.A N VAL 118.A O no hydrogen 2.796 N/A SER 123.A N GLY 119.A O no hydrogen 3.226 N/A SER 123.A OG THR 120.A O no hydrogen 2.744 N/A ASN 124.A N ILE 121.A O no hydrogen 3.001 N/A ASN 124.A ND2 GLU 127.A OE2 no hydrogen 2.805 N/A MET 125.A N.A SER 123.A OG no hydrogen 3.018 N/A MET 125.A N.B SER 123.A OG no hydrogen 3.014 N/A TYR 126.A OH ASN 74.A OD1 no hydrogen 2.856 N/A LYS 128.A N ASN 124.A O no hydrogen 3.064 N/A LYS 128.A NZ SER 123.A O no hydrogen 3.238 N/A ALA 129.A N MET 125.A O.A no hydrogen 2.827 N/A ALA 129.A N MET 125.A O.B no hydrogen 2.836 N/A LEU 130.A N TYR 126.A O no hydrogen 2.900 N/A HIS 131.A N GLU 127.A O no hydrogen 2.881 N/A HIS 131.A NE2 LEU 137.A O no hydrogen 2.860 N/A GLU 132.A N LYS 128.A O no hydrogen 2.964 N/A LEU 133.A N LEU 130.A O no hydrogen 3.152 N/A ASP 134.A N LEU 130.A O no hydrogen 2.923 N/A THR 135.A OG1 HIS 131.A O no hydrogen 3.490 N/A TYR 136.A N ASP 134.A OD2 no hydrogen 3.109 N/A LYS 138.A N GLY 110.A O no hydrogen 2.960 N/A HIS 140.A N ILE 112.A O no hydrogen 2.875 N/A HIS 142.A N VAL 114.A O.A no hydrogen 3.019 N/A HIS 142.A N VAL 114.A O.B no hydrogen 2.919 N/A CYS 144.A N GLY 116.A O no hydrogen 2.904 N/A CYS 144.A SG HIS 142.A O no hydrogen 3.861 N/A CYS 144.A SG ALA 168.A O no hydrogen 3.749 N/A THR 146.A OG1 GLN 164.A OE1 no hydrogen 3.323 N/A LEU 147.A N CYS 144.A O no hydrogen 3.227 N/A VAL 150.A N THR 146.A O no hydrogen 3.085 N/A VAL 151.A N LEU 147.A O no hydrogen 3.015 N/A GLU 152.A N ALA 148.A O no hydrogen 3.019 N/A ASN 153.A N THR 149.A O no hydrogen 2.811 N/A ARG 154.A N VAL 150.A O no hydrogen 2.845 N/A ASP 157.A N ARG 154.A O no hydrogen 3.013 N/A TYR 160.A N ASP 157.A OD2 no hydrogen 3.292 N/A VAL 161.A N ASP 157.A O no hydrogen 2.963 N/A THR 162.A N THR 158.A O no hydrogen 2.923 N/A THR 162.A OG1 THR 158.A O no hydrogen 2.980 N/A GLN 163.A N ALA 159.A O no hydrogen 3.048 N/A GLN 164.A N TYR 160.A O no hydrogen 2.943 N/A VAL 165.A N VAL 161.A O no hydrogen 2.871 N/A LYS 166.A N THR 162.A O no hydrogen 2.927 N/A LYS 166.A NZ GLU 197.A OE1 no hydrogen 3.450 N/A LYS 166.A NZ GLU 197.A OE2 no hydrogen 2.693 N/A GLN 167.A N GLN 163.A O no hydrogen 3.009 N/A GLN 167.A NE2 GLN 163.A OE1 no hydrogen 2.789 N/A ALA 168.A N GLN 164.A O no hydrogen 2.986 N/A LEU 169.A N VAL 165.A O no hydrogen 2.972 N/A LEU 170.A N.B LYS 166.A O no hydrogen 3.074 N/A LEU 172.A N LEU 169.A O no hydrogen 2.877 N/A THR 173.A N LEU 169.A O no hydrogen 3.058 N/A THR 173.A N LEU 170.A O.A no hydrogen 3.114 N/A THR 173.A N LEU 170.A O.B no hydrogen 3.080 N/A THR 173.A OG1 LEU 170.A O.A no hydrogen 2.680 N/A THR 173.A OG1 LEU 170.A O.B no hydrogen 2.679 N/A GLU 175.A N LEU 172.A O no hydrogen 3.072 N/A ASP 178.A N LYS 111.A O.A no hydrogen 3.039 N/A ASP 178.A N LYS 111.A O.B no hydrogen 3.138 N/A THR 179.A OG1 ASP 178.A OD1 no hydrogen 2.891 N/A LEU 180.A N THR 203.A O no hydrogen 2.856 N/A ILE 181.A N GLY 113.A O no hydrogen 2.823 N/A LEU 182.A N ILE 205.A O.A no hydrogen 2.913 N/A LEU 182.A N ILE 205.A O.B no hydrogen 2.893 N/A GLY 183.A N ILE 115.A O no hydrogen 2.846 N/A THR 185.A OG1 HIS 186.A ND1 no hydrogen 2.797 N/A HIS 186.A ND1 THR 185.A OG1 no hydrogen 2.797 N/A HIS 186.A NE2 GLU 152.A OE2 no hydrogen 2.766 N/A TYR 187.A N CYS 184.A O no hydrogen 3.291 N/A LEU 189.A N.A HIS 186.A O no hydrogen 3.131 N/A LEU 189.A N.B HIS 186.A O no hydrogen 3.196 N/A LEU 190.A N TYR 187.A O no hydrogen 2.802 N/A GLU 191.A N PRO 188.A O no hydrogen 3.175 N/A ILE 194.A N LEU 190.A O no hydrogen 2.969 N/A LYS 195.A N GLU 191.A O no hydrogen 2.889 N/A LYS 195.A NZ GLU 191.A OE2 no hydrogen 2.354 N/A LYS 196.A N SER 192.A O no hydrogen 3.059 N/A GLU 197.A N TYR 193.A O no hydrogen 3.066 N/A LEU 198.A N ILE 194.A O no hydrogen 2.954 N/A GLY 199.A N LYS 195.A O no hydrogen 2.887 N/A VAL 202.A N GLY 199.A O no hydrogen 3.487 N/A THR 203.A N ASP 178.A O no hydrogen 2.924 N/A ILE 205.A N.A LEU 180.A O no hydrogen 2.828 N/A ILE 205.A N.B LEU 180.A O no hydrogen 2.864 N/A SER 207.A OG ASN 74.A OD1 no hydrogen 3.212 N/A SER 207.A OG LEU 182.A O no hydrogen 2.764 N/A GLU 209.A N SER 206.A OG no hydrogen 3.237 N/A GLU 210.A N SER 206.A O no hydrogen 3.261 N/A THR 211.A N SER 207.A O no hydrogen 2.944 N/A THR 211.A OG1 SER 207.A O no hydrogen 2.788 N/A ALA 212.A N ALA 208.A O no hydrogen 3.178 N/A ILE 213.A N GLU 209.A O no hydrogen 3.490 N/A GLU 214.A N GLU 210.A O no hydrogen 3.017 N/A LEU 215.A N THR 211.A O no hydrogen 2.864 N/A SER 216.A N ALA 212.A O no hydrogen 2.895 N/A THR 217.A N ILE 213.A O no hydrogen 2.937 N/A THR 217.A OG1 ILE 213.A O no hydrogen 2.898 N/A ILE 218.A N GLU 214.A O no hydrogen 3.044 N/A LEU 219.A N LEU 215.A O no hydrogen 2.816 N/A GLN 220.A N SER 216.A O no hydrogen 3.039 N/A HIS 221.A N THR 217.A O no hydrogen 2.938 N/A LYS 222.A N ILE 218.A O no hydrogen 3.013 N/A GLY 223.A N GLN 220.A O no hydrogen 3.022 N/A ILE 224.A N LEU 219.A O no hydrogen 2.953 N/A ALA 226.A N GLU 29.A OE2 no hydrogen 2.797 N/A ASN 230.A N ASN 228.A OD1 no hydrogen 2.990 N/A ARG 234.A N ILE 31.A O.A no hydrogen 2.982 N/A ARG 234.A N ILE 31.A O.B no hydrogen 3.004 N/A ARG 234.A NH1 ASP 259.A OD2 no hydrogen 2.659 N/A PHE 235.A N SER 257.A O.A no hydrogen 2.960 N/A PHE 235.A N SER 257.A O.B no hydrogen 2.957 N/A PHE 236.A N TYR 33.A O no hydrogen 2.710 N/A THR 237.A N ASP 259.A O no hydrogen 2.952 N/A THR 237.A OG1 GLY 35.A O no hydrogen 3.520 N/A THR 237.A OG1 ASN 37.A OD1 no hydrogen 2.680 N/A THR 238.A N GLY 35.A O no hydrogen 3.119 N/A THR 238.A OG1 ASP 36.A OD1 no hydrogen 2.765 N/A GLY 239.A N THR 237.A OG1 no hydrogen 3.050 N/A SER 242.A OG SER 240.A OG no hydrogen 3.241 N/A SER 243.A N SER 240.A OG no hydrogen 3.123 N/A PHE 244.A N SER 240.A O no hydrogen 3.119 N/A GLU 245.A N VAL 241.A O no hydrogen 2.964 N/A HIS 246.A N SER 242.A O no hydrogen 3.067 N/A ILE 247.A N SER 243.A O no hydrogen 3.195 N/A ALA 248.A N PHE 244.A O no hydrogen 2.917 N/A GLU 249.A N GLU 245.A O no hydrogen 2.992 N/A ARG 250.A N HIS 246.A O no hydrogen 3.137 N/A TRP 251.A N ILE 247.A O no hydrogen 2.781 N/A LEU 252.A N ALA 248.A O no hydrogen 2.808 N/A GLY 253.A N GLU 249.A O no hydrogen 2.924 N/A GLN 255.A NE2 GLU 249.A OE1 no hydrogen 2.854 N/A ASP 259.A N PHE 235.A O no hydrogen 2.976 N/A CYS 260.A SG.A THR 237.A O no hydrogen 3.698 N/A CYS 260.A SG.A GLY 239.A O no hydrogen 3.215 N/A VAL 261.A N THR 237.A O no hydrogen 3.012 N/A