Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mxs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 261.A OE1 no hydrogen 2.778 N/A SER 1.A N GLU 261.A OE2 no hydrogen 3.388 N/A SER 1.A OG GLU 261.A OE2 no hydrogen 2.694 N/A GLN 3.A N GLU 6.A OE2 no hydrogen 2.996 N/A GLN 7.A N GLN 3.A O no hydrogen 2.902 N/A ILE 8.A N PRO 4.A O no hydrogen 2.880 N/A LYS 9.A N LEU 5.A O no hydrogen 3.027 N/A LEU 10.A N GLU 6.A O no hydrogen 2.993 N/A SER 11.A N GLN 7.A O no hydrogen 2.858 N/A SER 11.A OG GLN 7.A O no hydrogen 3.212 N/A SER 11.A OG GLN 7.A OE1 no hydrogen 3.065 N/A SER 11.A OG GLN 251.A OE1 no hydrogen 2.778 N/A GLU 12.A N ILE 8.A O no hydrogen 3.057 N/A SER 13.A N LYS 9.A O no hydrogen 3.031 N/A SER 13.A OG.B LYS 9.A O no hydrogen 3.474 N/A SER 13.A OG.B LEU 10.A O no hydrogen 2.875 N/A GLN 14.A N LEU 10.A O no hydrogen 2.891 N/A LEU 15.A N SER 11.A O no hydrogen 2.865 N/A GLY 17.A N GLU 12.A O no hydrogen 3.407 N/A ARG 18.A N ARG 239.A O no hydrogen 3.024 N/A VAL 19.A N GLU 12.A OE2 no hydrogen 2.923 N/A GLY 20.A N TYR 237.A O no hydrogen 2.820 N/A MET 21.A N TRP 35.A O no hydrogen 2.880 N/A ILE 22.A N VAL 235.A O no hydrogen 2.982 N/A GLU 23.A N THR 33.A O no hydrogen 2.950 N/A MET 24.A N ILE 233.A O no hydrogen 2.840 N/A ASP 25.A N ARG 30.A O no hydrogen 2.873 N/A LEU 26.A N GLU 231.A O no hydrogen 2.993 N/A SER 28.A N ASP 25.A OD1 no hydrogen 2.912 N/A GLY 29.A N ASP 25.A O no hydrogen 2.858 N/A ARG 30.A N SER 28.A OG no hydrogen 3.164 N/A ARG 30.A NH1 ARG 265.A O no hydrogen 3.134 N/A ARG 30.A NH2 ASP 25.A OD2 no hydrogen 3.447 N/A LEU 32.A N GLU 23.A O no hydrogen 2.800 N/A THR 33.A OG1 GLU 23.A OE1 no hydrogen 2.560 N/A TRP 35.A N MET 21.A O no hydrogen 2.918 N/A TRP 35.A NE1 GLU 12.A OE2 no hydrogen 2.955 N/A ARG 36.A NE GLU 12.A OE2 no hydrogen 2.772 N/A ARG 36.A NH1 GLU 39.A OE1 no hydrogen 2.893 N/A ARG 36.A NH2 GLU 12.A OE1 no hydrogen 2.942 N/A GLU 39.A N ARG 36.A O no hydrogen 3.097 N/A ARG 40.A NH1 VAL 134.A O no hydrogen 2.961 N/A ARG 40.A NH1 THR 155.A OG1 no hydrogen 2.858 N/A ARG 40.A NH2 VAL 134.A O no hydrogen 2.855 N/A PHE 41.A N THR 156.A O no hydrogen 2.909 N/A MET 43.A N ASP 154.A O no hydrogen 3.083 N/A SER 45.A OG SER 105.A OG no hydrogen 3.194 N/A THR 46.A N MET 43.A O no hydrogen 3.159 N/A THR 46.A OG1 MET 43.A O no hydrogen 2.662 N/A THR 46.A OG1 TYR 237.A OH no hydrogen 2.737 N/A PHE 47.A N MET 44.A O no hydrogen 3.153 N/A LYS 48.A N SER 45.A O no hydrogen 3.022 N/A LYS 48.A NZ SER 45.A OG no hydrogen 2.749 N/A LYS 48.A NZ SER 105.A O no hydrogen 2.936 N/A LYS 48.A NZ ASN 107.A OD1 no hydrogen 2.706 N/A LYS 48.A NZ GLU 141.A OE1 no hydrogen 3.334 N/A VAL 49.A N THR 46.A O no hydrogen 3.316 N/A LEU 51.A N PHE 47.A O no hydrogen 2.896 N/A CYS 52.A N LYS 48.A O no hydrogen 3.142 N/A CYS 52.A SG LYS 48.A O no hydrogen 3.746 N/A GLY 53.A N VAL 49.A O no hydrogen 2.973 N/A ALA 54.A N VAL 50.A O no hydrogen 3.011 N/A VAL 55.A N LEU 51.A O no hydrogen 3.033 N/A LEU 56.A N CYS 52.A O no hydrogen 2.917 N/A ALA 57.A N GLY 53.A O no hydrogen 2.970 N/A ARG 58.A N ALA 54.A O no hydrogen 3.145 N/A ARG 58.A NH2 GLU 64.A OE1 no hydrogen 3.076 N/A VAL 59.A N VAL 55.A O no hydrogen 2.966 N/A ASP 60.A N LEU 56.A O no hydrogen 2.866 N/A ALA 61.A N ALA 57.A O no hydrogen 3.130 N/A GLY 62.A N VAL 59.A O no hydrogen 2.995 N/A ASP 63.A N ARG 58.A O no hydrogen 2.898 N/A GLN 65.A N GLU 64.A OE2 no hydrogen 2.874 N/A GLU 67.A N GLU 67.A OE2 no hydrogen 2.775 N/A ARG 68.A N GLN 65.A O no hydrogen 3.096 N/A ARG 68.A NE GLU 64.A OE2 no hydrogen 2.820 N/A ARG 68.A NH1 GLU 64.A OE1 no hydrogen 2.895 N/A LYS 69.A NZ ASP 90.A O no hydrogen 3.068 N/A ILE 70.A N MET 92.A O no hydrogen 2.838 N/A TYR 72.A OH SER 84.A O no hydrogen 2.605 N/A ARG 73.A N ASP 76.A OD1 no hydrogen 2.929 N/A ASP 76.A N ARG 73.A O no hydrogen 2.842 N/A LEU 77.A N GLN 74.A O no hydrogen 3.093 N/A VAL 78.A N SER 108.A OG no hydrogen 2.844 N/A TYR 80.A N ASP 79.A OD2 no hydrogen 2.687 N/A SER 81.A OG VAL 78.A O no hydrogen 2.809 N/A SER 81.A OG SER 108.A OG no hydrogen 2.647 N/A VAL 83.A N ASP 106.A OD2 no hydrogen 2.806 N/A SER 84.A N ASP 106.A OD2 no hydrogen 2.872 N/A SER 84.A OG ASP 106.A OD1 no hydrogen 2.766 N/A SER 84.A OG ASP 106.A OD2 no hydrogen 3.286 N/A GLU 85.A N SER 81.A O no hydrogen 3.050 N/A LYS 86.A N VAL 83.A O no hydrogen 2.957 N/A HIS 87.A N SER 84.A O no hydrogen 3.137 N/A HIS 87.A ND1 ASP 90.A OD1 no hydrogen 2.823 N/A HIS 87.A ND1 ASP 90.A OD2 no hydrogen 3.221 N/A GLY 91.A N HIS 87.A O no hydrogen 2.770 N/A MET 92.A N ILE 70.A O no hydrogen 3.148 N/A THR 93.A N GLU 96.A OE2 no hydrogen 2.972 N/A THR 93.A OG1 LEU 66.A O no hydrogen 3.401 N/A VAL 94.A N ARG 68.A O no hydrogen 2.853 N/A GLY 95.A N LEU 66.A O no hydrogen 2.850 N/A GLU 96.A N THR 93.A OG1 no hydrogen 2.923 N/A LEU 97.A N THR 93.A O no hydrogen 2.781 N/A CYS 98.A N VAL 94.A O no hydrogen 2.990 N/A ALA 99.A N GLY 95.A O no hydrogen 2.917 N/A ALA 100.A N GLU 96.A O no hydrogen 2.848 N/A ALA 101.A N LEU 97.A O no hydrogen 2.866 N/A ILE 102.A N CYS 98.A O no hydrogen 2.908 N/A THR 103.A N ALA 99.A O no hydrogen 2.774 N/A THR 103.A OG1 ALA 99.A O no hydrogen 2.731 N/A MET 104.A N ALA 100.A O no hydrogen 3.018 N/A SER 105.A OG SER 45.A OG no hydrogen 3.194 N/A ASP 106.A N ALA 100.A O no hydrogen 3.032 N/A ASN 107.A N TYR 80.A O no hydrogen 2.989 N/A ASN 107.A ND2 ASP 79.A O no hydrogen 2.970 N/A SER 108.A N SER 81.A OG no hydrogen 3.132 N/A SER 108.A OG VAL 78.A O no hydrogen 3.332 N/A SER 108.A OG SER 81.A OG no hydrogen 2.647 N/A ALA 109.A N ASP 106.A OD1 no hydrogen 2.923 N/A ALA 110.A N ASP 106.A O no hydrogen 3.131 N/A ASN 111.A N ASN 107.A O no hydrogen 2.964 N/A ASN 111.A ND2 GLU 141.A O no hydrogen 2.959 N/A LEU 112.A N SER 108.A O no hydrogen 2.891 N/A LEU 113.A N ALA 109.A O no hydrogen 3.012 N/A LEU 114.A N ALA 110.A O no hydrogen 2.796 N/A ALA 115.A N ASN 111.A O no hydrogen 3.112 N/A THR 116.A N LEU 112.A O no hydrogen 3.390 N/A THR 116.A OG1 LEU 113.A O no hydrogen 2.650 N/A VAL 117.A N LEU 114.A O no hydrogen 3.183 N/A GLY 118.A N ALA 115.A O no hydrogen 3.096 N/A GLY 119.A N LEU 114.A O no hydrogen 2.778 N/A GLY 122.A N GLY 118.A O no hydrogen 3.014 N/A LEU 123.A N GLY 119.A O no hydrogen 2.946 N/A THR 124.A N PRO 120.A O no hydrogen 2.943 N/A THR 124.A OG1 PRO 120.A O no hydrogen 2.906 N/A THR 124.A OG1 LEU 137.A O no hydrogen 2.930 N/A ALA 125.A N ALA 121.A O no hydrogen 2.942 N/A PHE 126.A N GLY 122.A O no hydrogen 2.959 N/A LEU 127.A N LEU 123.A O no hydrogen 2.993 N/A ARG 128.A N THR 124.A O no hydrogen 2.997 N/A ARG 128.A NH1 THR 135.A O no hydrogen 3.148 N/A ARG 128.A NH2 ASP 132.A O no hydrogen 2.756 N/A ARG 128.A NH2 THR 135.A O no hydrogen 2.800 N/A GLN 129.A N ALA 125.A O no hydrogen 2.918 N/A ILE 130.A N PHE 126.A O no hydrogen 3.090 N/A ILE 130.A N LEU 127.A O no hydrogen 3.136 N/A GLY 131.A N ARG 128.A O no hydrogen 2.974 N/A ASP 132.A N LEU 127.A O no hydrogen 2.906 N/A VAL 134.A N ASP 132.A OD2 no hydrogen 2.890 N/A THR 135.A N ASP 132.A OD2 no hydrogen 2.830 N/A THR 135.A OG1 ASP 132.A OD1 no hydrogen 2.631 N/A THR 135.A OG1 ASP 132.A OD2 no hydrogen 3.287 N/A THR 135.A OG1 THR 156.A OG1 no hydrogen 2.747 N/A ARG 136.A N THR 155.A O no hydrogen 2.965 N/A ARG 136.A NE ASP 138.A OD1 no hydrogen 2.902 N/A ARG 136.A NH2 ASP 138.A OD1 no hydrogen 3.503 N/A ARG 136.A NH2 ASP 138.A OD2 no hydrogen 2.845 N/A LEU 137.A N THR 124.A OG1 no hydrogen 2.957 N/A ASP 138.A N ASP 154.A OD2 no hydrogen 2.702 N/A ARG 139.A N ASP 154.A OD2 no hydrogen 2.889 N/A ARG 139.A NE ASP 154.A OD1 no hydrogen 2.707 N/A ARG 139.A NH1 ASP 154.A OD1 no hydrogen 2.961 N/A ARG 139.A NH2 GLU 146.A OE2 no hydrogen 2.861 N/A GLU 141.A N ASN 111.A OD1 no hydrogen 2.933 N/A LEU 144.A N TRP 140.A O no hydrogen 3.030 N/A ASN 145.A N THR 142.A O no hydrogen 3.182 N/A ASN 145.A ND2 GLU 141.A OE2 no hydrogen 2.803 N/A ASN 145.A ND2 THR 142.A O no hydrogen 3.047 N/A GLU 146.A N GLU 143.A O no hydrogen 3.114 N/A ASP 151.A N LEU 148.A O no hydrogen 3.149 N/A ARG 153.A N ASP 151.A OD1 no hydrogen 3.043 N/A ARG 153.A NE ASP 151.A OD1 no hydrogen 3.136 N/A ARG 153.A NE ASP 151.A OD2 no hydrogen 3.012 N/A ARG 153.A NH2 ASP 151.A OD2 no hydrogen 2.745 N/A ASP 154.A N ASP 138.A OD1 no hydrogen 2.915 N/A THR 155.A OG1 ALA 152.A O no hydrogen 2.651 N/A THR 156.A N PHE 41.A O no hydrogen 2.972 N/A THR 156.A OG1 THR 135.A OG1 no hydrogen 2.747 N/A THR 156.A OG1 THR 157.A O no hydrogen 3.276 N/A THR 157.A OG1 ALA 37.A O no hydrogen 3.418 N/A THR 157.A OG1 SER 160.A OG no hydrogen 2.769 N/A ALA 159.A N ALA 37.A O no hydrogen 2.925 N/A SER 160.A N THR 157.A OG1 no hydrogen 3.040 N/A SER 160.A OG THR 157.A OG1 no hydrogen 2.769 N/A MET 161.A N THR 157.A O no hydrogen 2.909 N/A ALA 162.A N PRO 158.A O no hydrogen 2.966 N/A ALA 163.A N ALA 159.A O no hydrogen 3.071 N/A THR 164.A N SER 160.A O no hydrogen 2.871 N/A THR 164.A OG1 ASP 132.A OD1 no hydrogen 2.738 N/A THR 164.A OG1 SER 160.A O no hydrogen 3.199 N/A LEU 165.A N MET 161.A O no hydrogen 2.886 N/A ARG 166.A N ALA 162.A O no hydrogen 2.955 N/A ARG 166.A NE LEU 26.A O no hydrogen 2.797 N/A ARG 166.A NH2 ALA 27.A O no hydrogen 2.804 N/A LYS 167.A N ALA 163.A O no hydrogen 2.910 N/A LYS 167.A NZ ILE 130.A O no hydrogen 2.782 N/A LEU 168.A N THR 164.A O no hydrogen 2.919 N/A LEU 169.A N LEU 165.A O no hydrogen 2.950 N/A THR 170.A N ARG 166.A O no hydrogen 2.921 N/A THR 170.A OG1 ARG 166.A O no hydrogen 2.827 N/A SER 171.A N LYS 167.A O no hydrogen 3.195 N/A SER 171.A OG LYS 167.A O no hydrogen 2.677 N/A ARG 173.A N SER 171.A OG no hydrogen 3.406 N/A ARG 173.A NH2 SER 171.A OG no hydrogen 2.934 N/A SER 175.A N ASP 60.A OD2 no hydrogen 2.834 N/A SER 175.A OG ASP 60.A OD1 no hydrogen 2.743 N/A SER 178.A N SER 175.A OG no hydrogen 3.049 N/A SER 178.A OG ASP 60.A OD1 no hydrogen 2.749 N/A SER 178.A OG SER 175.A OG no hydrogen 3.246 N/A GLN 179.A N SER 175.A O no hydrogen 2.820 N/A ARG 180.A N ALA 176.A O no hydrogen 2.995 N/A GLN 181.A N ARG 177.A O no hydrogen 2.891 N/A GLN 181.A NE2 GLN 181.A O no hydrogen 3.077 N/A LEU 182.A N SER 178.A O no hydrogen 2.941 N/A LEU 183.A N GLN 179.A O no hydrogen 3.143 N/A GLN 184.A N ARG 180.A O no hydrogen 2.985 N/A TRP 185.A N GLN 181.A O no hydrogen 2.978 N/A MET 186.A N LEU 182.A O no hydrogen 3.280 N/A VAL 187.A N LEU 183.A O no hydrogen 2.910 N/A ASP 188.A N GLN 184.A O no hydrogen 2.940 N/A ASP 188.A N TRP 185.A O no hydrogen 3.224 N/A ASP 189.A N MET 186.A O no hydrogen 3.277 N/A ARG 190.A N THR 103.A O no hydrogen 2.802 N/A VAL 191.A N ASP 189.A OD1 no hydrogen 3.045 N/A ALA 192.A N ASP 189.A OD2 no hydrogen 2.833 N/A GLY 193.A N ASP 189.A OD2 no hydrogen 3.081 N/A ILE 196.A N ALA 192.A O no hydrogen 2.834 N/A ARG 197.A N GLY 193.A O no hydrogen 2.915 N/A ARG 197.A NH2 VAL 187.A O no hydrogen 3.148 N/A ARG 197.A NH2 ILE 206.A O no hydrogen 2.932 N/A SER 198.A N PRO 194.A O no hydrogen 3.042 N/A SER 198.A OG LEU 195.A O no hydrogen 2.645 N/A VAL 199.A N ILE 196.A O no hydrogen 3.083 N/A LEU 200.A N ARG 197.A O no hydrogen 3.217 N/A TRP 204.A N PRO 201.A O no hydrogen 3.426 N/A PHE 205.A N GLY 225.A O no hydrogen 2.813 N/A ALA 207.A N LEU 223.A O no hydrogen 3.091 N/A ASP 208.A N MET 186.A O no hydrogen 3.071 N/A LYS 209.A N VAL 221.A O no hydrogen 2.899 N/A LYS 209.A NZ SER 105.A OG no hydrogen 2.865 N/A LYS 209.A NZ THR 210.A O no hydrogen 2.836 N/A GLY 211.A N GLY 219.A O no hydrogen 2.847 N/A GLY 213.A N ALA 217.A O no hydrogen 2.905 N/A GLU 214.A N ASN 145.A O no hydrogen 2.987 N/A ARG 215.A NE GLU 146.A O no hydrogen 3.091 N/A ARG 215.A NE ALA 147.A O no hydrogen 3.206 N/A ARG 215.A NH1 GLU 146.A O no hydrogen 2.823 N/A ALA 217.A N GLU 214.A O no hydrogen 2.954 N/A ARG 218.A N LEU 238.A O no hydrogen 3.176 N/A ARG 218.A NE ASN 249.A OD1 no hydrogen 2.824 N/A ARG 218.A NH1 ASN 249.A OD1 no hydrogen 3.122 N/A ARG 218.A NH2 GLY 211.A O no hydrogen 2.906 N/A GLY 219.A N GLY 211.A O no hydrogen 2.937 N/A ILE 220.A N ILE 236.A O no hydrogen 2.915 N/A VAL 221.A N LYS 209.A O no hydrogen 2.932 N/A ALA 222.A N VAL 234.A O no hydrogen 2.879 N/A LEU 223.A N ALA 207.A O no hydrogen 2.870 N/A LEU 224.A N ARG 232.A O no hydrogen 2.878 N/A GLY 225.A N PHE 205.A O no hydrogen 3.427 N/A ASN 228.A N GLY 203.A O no hydrogen 2.765 N/A LYS 229.A N PRO 226.A O no hydrogen 3.256 N/A GLU 231.A N LYS 229.A O no hydrogen 2.872 N/A ARG 232.A N LEU 224.A O no hydrogen 2.948 N/A ARG 232.A NH1 GLU 23.A OE2 no hydrogen 2.780 N/A ARG 232.A NH1 TRP 263.A O no hydrogen 2.888 N/A ARG 232.A NH2 GLU 231.A OE2 no hydrogen 3.464 N/A ARG 232.A NH2 TRP 263.A O no hydrogen 2.982 N/A ILE 233.A N MET 24.A O no hydrogen 2.792 N/A VAL 234.A N ALA 222.A O no hydrogen 2.865 N/A VAL 235.A N ILE 22.A O no hydrogen 2.929 N/A ILE 236.A N ILE 220.A O no hydrogen 2.973 N/A TYR 237.A N GLY 20.A O no hydrogen 2.851 N/A TYR 237.A OH THR 46.A OG1 no hydrogen 2.737 N/A LEU 238.A N ARG 218.A O no hydrogen 2.763 N/A ARG 239.A N ARG 18.A O no hydrogen 2.948 N/A ARG 239.A NE ASP 240.A OD2 no hydrogen 2.910 N/A ARG 239.A NH1 ARG 40.A O no hydrogen 2.849 N/A THR 241.A N ARG 215.A O no hydrogen 3.292 N/A THR 241.A OG1 LEU 15.A O no hydrogen 2.631 N/A ALA 243.A N THR 241.A OG1 no hydrogen 3.046 N/A GLU 247.A N SER 244.A OG no hydrogen 2.987 N/A ARG 248.A N SER 244.A O no hydrogen 2.937 N/A ARG 248.A NE ALA 243.A O no hydrogen 3.092 N/A ARG 248.A NE SER 244.A O no hydrogen 3.423 N/A ARG 248.A NH2 ALA 243.A O no hydrogen 3.506 N/A ASN 249.A N MET 245.A O no hydrogen 2.865 N/A GLN 250.A N ALA 246.A O no hydrogen 2.935 N/A GLN 250.A NE2 ALA 246.A O no hydrogen 3.529 N/A GLN 251.A N GLU 247.A O no hydrogen 2.793 N/A GLN 251.A NE2 GLN 14.A OE1 no hydrogen 2.906 N/A GLN 251.A NE2 GLU 247.A OE2 no hydrogen 3.006 N/A ILE 252.A N ARG 248.A O no hydrogen 3.104 N/A ALA 253.A N ASN 249.A O no hydrogen 2.930 N/A GLY 254.A N GLN 250.A O no hydrogen 2.782 N/A ILE 255.A N GLN 251.A O no hydrogen 3.015 N/A GLY 256.A N ILE 252.A O no hydrogen 2.977 N/A ALA 257.A N ALA 253.A O no hydrogen 2.783 N/A ALA 258.A N GLY 254.A O no hydrogen 3.019 N/A LEU 259.A N ILE 255.A O no hydrogen 3.011 N/A ILE 260.A N GLY 256.A O no hydrogen 2.907 N/A GLU 261.A N ALA 257.A O no hydrogen 2.967 N/A HIS 262.A N ALA 258.A O no hydrogen 3.066 N/A HIS 262.A N LEU 259.A O no hydrogen 3.188 N/A HIS 262.A NE2 SER 1.A O no hydrogen 3.172 N/A TRP 263.A NE1 GLU 231.A OE1 no hydrogen 2.909 N/A ARG 265.A NE HIS 262.A O no hydrogen 2.660 N/A ARG 265.A NH1 GLU 23.A OE1 no hydrogen 2.815 N/A ARG 265.A NH2 GLU 23.A OE1 no hydrogen 3.363 N/A ARG 265.A NH2 GLU 23.A OE2 no hydrogen 2.979 N/A ARG 265.A NH2 HIS 262.A O no hydrogen 2.916 N/A