Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5die_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N SER 1.A O no hydrogen 2.392 N/A SER 5.A N LEU 2.A O no hydrogen 3.096 N/A THR 7.A N GLN 10.A OE1 no hydrogen 2.984 N/A GLN 10.A N THR 7.A OG1 no hydrogen 3.090 N/A MET 11.A N THR 7.A O no hydrogen 2.925 N/A VAL 12.A N ALA 8.A O no hydrogen 3.038 N/A SER 13.A N ASP 9.A O no hydrogen 3.053 N/A SER 13.A OG ASP 9.A O no hydrogen 3.011 N/A ALA 14.A N GLN 10.A O no hydrogen 3.093 N/A LEU 15.A N MET 11.A O no hydrogen 3.230 N/A LEU 16.A N VAL 12.A O no hydrogen 2.892 N/A ASP 17.A N SER 13.A O no hydrogen 3.028 N/A ALA 18.A N LEU 15.A O no hydrogen 3.059 N/A GLU 19.A N LEU 16.A O no hydrogen 3.402 N/A SER 25.A N ASN 103.A OD1 no hydrogen 2.976 N/A SER 25.A OG ASN 103.A OD1 no hydrogen 2.878 N/A THR 30.A N ASP 28.A OD1 no hydrogen 2.898 N/A THR 30.A OG1 ASP 28.A OD1 no hydrogen 2.650 N/A SER 34.A N SER 37.A OG no hydrogen 2.656 N/A SER 34.A OG SER 37.A OG no hydrogen 3.125 N/A SER 37.A N SER 34.A OG no hydrogen 2.968 N/A SER 37.A OG SER 34.A O no hydrogen 3.041 N/A SER 37.A OG SER 34.A OG no hydrogen 3.125 N/A MET 38.A N SER 34.A O no hydrogen 3.003 N/A MET 39.A N GLU 35.A O no hydrogen 3.149 N/A GLY 40.A N ALA 36.A O no hydrogen 2.841 N/A LEU 41.A N SER 37.A O no hydrogen 2.877 N/A LEU 42.A N MET 38.A O no hydrogen 2.853 N/A THR 43.A N MET 39.A O no hydrogen 3.064 N/A THR 43.A OG1 MET 39.A O no hydrogen 2.609 N/A THR 43.A OG1 GLY 40.A O no hydrogen 3.203 N/A ASN 44.A N GLY 40.A O no hydrogen 2.935 N/A ASN 44.A ND2 GLU 26.A OE2 no hydrogen 3.246 N/A LEU 45.A N LEU 41.A O no hydrogen 3.073 N/A ALA 46.A N LEU 42.A O no hydrogen 3.026 N/A ASP 47.A N THR 43.A O no hydrogen 2.943 N/A ARG 48.A N ASN 44.A O no hydrogen 3.240 N/A ARG 48.A NE ASN 44.A OD1 no hydrogen 3.220 N/A ARG 48.A NH1 TYR 24.A O no hydrogen 2.739 N/A ARG 48.A NH2 TYR 24.A O no hydrogen 2.794 N/A ARG 48.A NH2 ASN 44.A OD1 no hydrogen 2.866 N/A GLU 49.A N LEU 45.A O no hydrogen 2.915 N/A LEU 50.A N ALA 46.A O no hydrogen 2.902 N/A HIS 52.A ND1 ARG 48.A O no hydrogen 3.286 N/A MET 53.A N GLU 49.A O no hydrogen 2.913 N/A ILE 54.A N LEU 50.A O no hydrogen 3.053 N/A ASN 55.A N VAL 51.A O no hydrogen 3.488 N/A ASN 55.A ND2 VAL 51.A O no hydrogen 2.636 N/A TRP 56.A N HIS 52.A O no hydrogen 2.864 N/A ALA 57.A N MET 53.A O no hydrogen 2.762 N/A LYS 58.A N ILE 54.A O no hydrogen 3.410 N/A ARG 59.A N TRP 56.A O no hydrogen 2.780 N/A ARG 59.A NH2 ALA 18.A O no hydrogen 3.318 N/A VAL 60.A N ALA 57.A O no hydrogen 3.085 N/A PHE 63.A N VAL 60.A O no hydrogen 2.979 N/A ASP 65.A N GLY 62.A O no hydrogen 3.271 N/A LEU 66.A N PHE 63.A O no hydrogen 3.119 N/A ASP 70.A N THR 67.A OG1 no hydrogen 3.219 N/A GLN 71.A N THR 67.A O no hydrogen 3.052 N/A GLN 71.A NE2 PHE 63.A O no hydrogen 3.309 N/A GLN 71.A NE2 LEU 66.A O no hydrogen 3.044 N/A VAL 72.A N LEU 68.A O no hydrogen 3.000 N/A HIS 73.A N HIS 69.A O no hydrogen 3.077 N/A LEU 74.A N ASP 70.A O no hydrogen 2.984 N/A LEU 75.A N GLN 71.A O no hydrogen 3.087 N/A GLU 76.A N VAL 72.A O no hydrogen 2.820 N/A CYS 77.A N HIS 73.A O no hydrogen 2.984 N/A CYS 77.A SG HIS 73.A O no hydrogen 3.529 N/A ALA 78.A N LEU 74.A O no hydrogen 3.110 N/A ILE 82.A N ALA 78.A O no hydrogen 2.883 N/A LEU 83.A N TRP 79.A O no hydrogen 3.019 N/A MET 84.A N LEU 80.A O no hydrogen 2.891 N/A ILE 85.A N GLU 81.A O no hydrogen 2.900 N/A GLY 86.A N ILE 82.A O no hydrogen 3.264 N/A LEU 87.A N LEU 83.A O no hydrogen 2.868 N/A VAL 88.A N MET 84.A O no hydrogen 2.855 N/A TRP 89.A N ILE 85.A O no hydrogen 2.912 N/A ARG 90.A N GLY 86.A O no hydrogen 3.009 N/A ARG 90.A NE LEU 99.A O no hydrogen 2.798 N/A ARG 90.A NH2 PHE 100.A O no hydrogen 2.945 N/A SER 91.A N LEU 87.A O no hydrogen 3.003 N/A SER 91.A OG LEU 87.A O no hydrogen 2.643 N/A MET 92.A N TRP 89.A O no hydrogen 3.208 N/A HIS 94.A N SER 91.A O no hydrogen 3.030 N/A LYS 97.A N HIS 94.A O no hydrogen 2.993 N/A LEU 98.A N LEU 106.A O no hydrogen 2.796 N/A LEU 99.A N SER 91.A OG no hydrogen 2.746 N/A PHE 100.A N LEU 98.A O no hydrogen 3.064 N/A ALA 101.A N LEU 104.A O no hydrogen 3.330 N/A ASN 103.A ND2 SER 25.A O no hydrogen 2.943 N/A LEU 104.A N ALA 101.A O no hydrogen 3.025 N/A LEU 106.A N LEU 98.A O no hydrogen 3.124 N/A ASP 107.A N GLN 110.A OE1 no hydrogen 2.990 N/A ARG 108.A NE ASP 122.A OD1 no hydrogen 2.789 N/A ARG 108.A NH1 ASP 122.A OD1 no hydrogen 3.480 N/A ARG 108.A NH1 ASP 122.A OD2 no hydrogen 2.813 N/A GLN 110.A N ASP 107.A O no hydrogen 3.111 N/A GLN 110.A N ASP 107.A OD1 no hydrogen 3.213 N/A GLY 111.A N ARG 108.A O no hydrogen 2.984 N/A LYS 112.A N ASN 109.A O no hydrogen 3.369 N/A CYS 113.A SG GLN 110.A O no hydrogen 3.415 N/A VAL 114.A N GLY 111.A O no hydrogen 3.292 N/A GLU 115.A N GLU 35.A OE1 no hydrogen 2.878 N/A MET 117.A N VAL 114.A O no hydrogen 3.239 N/A PHE 121.A N MET 117.A O no hydrogen 2.918 N/A ASP 122.A N VAL 118.A O no hydrogen 2.902 N/A MET 123.A N GLU 119.A O no hydrogen 3.241 N/A LEU 124.A N ILE 120.A O no hydrogen 3.068 N/A LEU 125.A N PHE 121.A O no hydrogen 2.801 N/A ALA 126.A N ASP 122.A O no hydrogen 2.976 N/A THR 127.A N MET 123.A O no hydrogen 3.007 N/A THR 127.A OG1 MET 123.A O no hydrogen 2.942 N/A SER 128.A N LEU 124.A O no hydrogen 3.013 N/A SER 128.A OG VAL 88.A O no hydrogen 3.095 N/A SER 129.A N LEU 125.A O no hydrogen 2.987 N/A ARG 130.A N ALA 126.A O no hydrogen 2.950 N/A PHE 131.A N THR 127.A O no hydrogen 2.907 N/A ARG 132.A N SER 128.A O no hydrogen 3.041 N/A ARG 132.A NH1 MET 92.A O no hydrogen 2.548 N/A MET 133.A N SER 129.A O no hydrogen 2.888 N/A MET 134.A N ARG 130.A O no hydrogen 2.923 N/A ASN 135.A N ARG 132.A O no hydrogen 3.218 N/A LEU 136.A N PHE 131.A O no hydrogen 2.944 N/A GLN 137.A N GLU 140.A OE1 no hydrogen 2.968 N/A GLN 137.A NE2 ASN 135.A O no hydrogen 3.173 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.613 N/A PHE 141.A N GLN 137.A O no hydrogen 2.901 N/A VAL 142.A N GLY 138.A O no hydrogen 3.048 N/A CYS 143.A SG GLU 139.A O no hydrogen 3.277 N/A LEU 144.A N GLU 140.A O no hydrogen 3.017 N/A LYS 145.A N PHE 141.A O no hydrogen 2.956 N/A LYS 145.A NZ GLU 19.A OE1 no hydrogen 3.409 N/A LYS 145.A NZ GLU 19.A OE2 no hydrogen 2.688 N/A SER 146.A N VAL 142.A O no hydrogen 3.159 N/A SER 146.A OG VAL 142.A O no hydrogen 3.326 N/A ILE 147.A N CYS 143.A O no hydrogen 2.967 N/A ILE 148.A N LEU 144.A O no hydrogen 3.013 N/A LEU 149.A N LYS 145.A O no hydrogen 3.317 N/A LEU 150.A N SER 146.A O no hydrogen 3.158 N/A ASN 151.A N ILE 147.A O no hydrogen 2.848 N/A SER 152.A N ILE 148.A O no hydrogen 3.077 N/A SER 152.A OG GLU 81.A OE1 no hydrogen 3.495 N/A SER 152.A OG GLU 81.A OE2 no hydrogen 2.713 N/A SER 152.A OG ILE 148.A O no hydrogen 3.043 N/A VAL 154.A N ASN 151.A O no hydrogen 3.053 N/A THR 156.A N GLY 153.A O no hydrogen 3.437 N/A ILE 163.A N GLU 159.A O no hydrogen 3.196 N/A HIS 164.A N LYS 160.A O no hydrogen 3.442 N/A ARG 165.A N ASP 161.A O no hydrogen 3.148 N/A ARG 165.A NH2 HIS 162.A ND1 no hydrogen 3.524 N/A VAL 166.A N HIS 162.A O no hydrogen 3.161 N/A LEU 167.A N ILE 163.A O no hydrogen 2.791 N/A ASP 168.A N HIS 164.A O no hydrogen 2.794 N/A LYS 169.A N ARG 165.A O no hydrogen 3.018 N/A ILE 170.A N VAL 166.A O no hydrogen 3.016 N/A THR 171.A N LEU 167.A O no hydrogen 3.076 N/A THR 171.A OG1 LEU 167.A O no hydrogen 3.195 N/A ASP 172.A N ASP 168.A O no hydrogen 2.942 N/A THR 173.A N LYS 169.A O no hydrogen 2.982 N/A THR 173.A OG1 LYS 169.A O no hydrogen 2.971 N/A LEU 174.A N ILE 170.A O no hydrogen 2.794 N/A ILE 175.A N THR 171.A O no hydrogen 3.025 N/A HIS 176.A N ASP 172.A O no hydrogen 3.008 N/A HIS 176.A NE2 ASP 9.A OD1 no hydrogen 3.137 N/A LEU 177.A N THR 173.A O no hydrogen 2.987 N/A MET 178.A N LEU 174.A O no hydrogen 3.053 N/A ALA 179.A N ILE 175.A O no hydrogen 2.876 N/A LYS 180.A N HIS 176.A O no hydrogen 3.071 N/A ALA 181.A N LEU 177.A O no hydrogen 3.068 N/A GLY 182.A N ALA 179.A O no hydrogen 3.137 N/A LEU 183.A N MET 178.A O no hydrogen 3.152 N/A THR 184.A N GLN 187.A OE1 no hydrogen 2.924 N/A GLN 187.A N THR 184.A OG1 no hydrogen 3.285 N/A GLN 188.A N THR 184.A O no hydrogen 2.894 N/A GLN 188.A NE2 LEU 183.A O no hydrogen 3.021 N/A GLN 190.A N GLN 186.A O no hydrogen 3.097 N/A ARG 191.A N GLN 187.A O no hydrogen 2.880 N/A ARG 191.A NE GLU 140.A OE2 no hydrogen 2.843 N/A ARG 191.A NH1 MET 134.A O no hydrogen 3.039 N/A ARG 191.A NH2 MET 134.A O no hydrogen 3.051 N/A ARG 191.A NH2 GLU 140.A OE1 no hydrogen 2.939 N/A LEU 192.A N GLN 188.A O no hydrogen 3.021 N/A ALA 193.A N HIS 189.A O no hydrogen 3.081 N/A GLN 194.A N GLN 190.A O no hydrogen 2.994 N/A LEU 195.A N ARG 191.A O no hydrogen 2.820 N/A LEU 196.A N LEU 192.A O no hydrogen 3.061 N/A LEU 197.A N ALA 193.A O no hydrogen 2.892 N/A ILE 198.A N LEU 195.A O no hydrogen 3.167 N/A LEU 199.A N LEU 196.A O no hydrogen 3.068 N/A SER 200.A N LEU 197.A O no hydrogen 3.202 N/A ILE 202.A N ILE 198.A O no hydrogen 2.927 N/A ARG 203.A N LEU 199.A O no hydrogen 2.869 N/A ARG 203.A NH1 SER 152.A O no hydrogen 3.246 N/A ARG 203.A NH2 SER 152.A O no hydrogen 2.995 N/A HIS 204.A N SER 200.A O no hydrogen 3.096 N/A MET 205.A N HIS 201.A O no hydrogen 2.895 N/A SER 206.A N ILE 202.A O no hydrogen 3.007 N/A ASN 207.A N ARG 203.A O no hydrogen 2.997 N/A LYS 208.A N HIS 204.A O no hydrogen 3.043 N/A GLY 209.A N MET 205.A O no hydrogen 2.830 N/A MET 210.A N SER 206.A O no hydrogen 2.687 N/A GLU 211.A N ASN 207.A O no hydrogen 3.256 N/A HIS 212.A N LYS 208.A O no hydrogen 3.069 N/A HIS 212.A NE2 GLU 115.A O no hydrogen 2.865 N/A LEU 213.A N GLY 209.A O no hydrogen 2.942 N/A TYR 214.A N MET 210.A O no hydrogen 2.963 N/A SER 215.A N GLU 211.A O no hydrogen 2.877 N/A MET 216.A N HIS 212.A O no hydrogen 3.072 N/A LYS 217.A N LEU 213.A O no hydrogen 3.035 N/A CYS 218.A N TYR 214.A O no hydrogen 3.039 N/A CYS 218.A SG TYR 214.A O no hydrogen 3.343 N/A LYS 219.A N MET 216.A O no hydrogen 3.308 N/A LYS 219.A NZ SER 215.A O no hydrogen 3.475 N/A LYS 219.A NZ SER 215.A OG no hydrogen 2.638 N/A ASN 220.A N LYS 217.A O no hydrogen 3.066 N/A VAL 221.A N MET 216.A O no hydrogen 3.033 N/A SER 225.A OG ASP 47.A OD1 no hydrogen 2.645 N/A LEU 228.A N SER 225.A OG no hydrogen 3.102 N/A LEU 229.A N SER 225.A O no hydrogen 2.886 N/A GLU 230.A N ASP 226.A O no hydrogen 3.055 N/A MET 231.A N LEU 227.A O no hydrogen 2.832 N/A LEU 232.A N LEU 228.A O no hydrogen 2.761 N/A ASP 233.A N LEU 229.A O no hydrogen 2.866 N/A ALA 234.A N MET 231.A O no hydrogen 3.364 N/A HIS 235.A N LEU 232.A O no hydrogen 3.244 N/A HIS 235.A ND1.B LEU 232.A O no hydrogen 2.291 N/A HIS 235.A NE2.A GLU 76.A O no hydrogen 2.833 N/A ARG 236.A N ASP 233.A O no hydrogen 3.363 N/A