Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4da8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N GLU 74.A OE1 no hydrogen 2.892 N/A HIS 3.A ND1 GLU 74.A OE2 no hydrogen 2.575 N/A GLY 5.A N ASN 39.A OD1 no hydrogen 3.129 N/A GLU 7.A N GLN 10.A OE1 no hydrogen 3.373 N/A GLN 10.A N GLU 7.A O no hydrogen 2.913 N/A GLN 10.A NE2 GLU 36.A OE1 no hydrogen 3.180 N/A ALA 12.A N SER 57.A OG no hydrogen 2.779 N/A VAL 15.A N ASN 83.A O no hydrogen 3.293 N/A LEU 16.A N SER 57.A O no hydrogen 2.796 N/A LEU 17.A N ILE 85.A O no hydrogen 2.501 N/A LEU 22.A N ASP 20.A OD1 no hydrogen 2.758 N/A ALA 24.A N ASP 20.A O no hydrogen 3.109 N/A LYS 25.A N PRO 21.A O no hydrogen 3.147 N/A PHE 26.A N LEU 22.A O no hydrogen 3.015 N/A ILE 27.A N ARG 23.A O no hydrogen 2.823 N/A ALA 28.A N ALA 24.A O no hydrogen 3.090 N/A GLU 29.A N LYS 25.A O no hydrogen 3.018 N/A THR 30.A N PHE 26.A O no hydrogen 2.913 N/A THR 30.A OG1 PHE 26.A O no hydrogen 2.817 N/A TYR 31.A N ILE 27.A O no hydrogen 2.925 N/A TYR 31.A N ALA 28.A O no hydrogen 3.291 N/A TYR 31.A OH HIS 220.A ND1 no hydrogen 2.712 N/A LEU 32.A N ALA 28.A O no hydrogen 2.821 N/A GLU 33.A N THR 50.A O no hydrogen 2.755 N/A GLU 36.A N THR 48.A O no hydrogen 2.625 N/A CYS 37.A SG ASN 39.A O no hydrogen 3.610 N/A CYS 37.A SG GLY 46.A O no hydrogen 3.471 N/A TYR 38.A N GLY 46.A O no hydrogen 3.097 N/A TYR 38.A OH GLN 59.A OE1 no hydrogen 3.068 N/A ASN 39.A N GLY 46.A O no hydrogen 3.516 N/A ASN 39.A ND2 VAL 41.A O no hydrogen 3.653 N/A ASN 39.A ND2 MET 44.A O no hydrogen 2.523 N/A VAL 41.A N ASN 39.A OD1 no hydrogen 2.843 N/A GLY 43.A N GLU 40.A O no hydrogen 3.210 N/A MET 44.A N VAL 41.A O no hydrogen 3.125 N/A TYR 45.A N GLY 43.A O no hydrogen 2.933 N/A GLY 46.A N ASN 39.A O no hydrogen 3.354 N/A PHE 47.A N VAL 58.A O no hydrogen 2.939 N/A THR 48.A N GLU 36.A O no hydrogen 2.744 N/A THR 48.A OG1 GLN 10.A O no hydrogen 2.622 N/A THR 48.A OG1 SER 57.A OG no hydrogen 2.776 N/A GLY 49.A N ILE 56.A O no hydrogen 3.085 N/A THR 50.A N GLU 33.A O no hydrogen 2.991 N/A TYR 51.A N LYS 54.A O no hydrogen 2.922 N/A TYR 51.A OH HIS 228.A NE2 no hydrogen 2.941 N/A LYS 54.A N TYR 51.A O no hydrogen 3.064 N/A ILE 56.A N GLY 49.A O no hydrogen 3.049 N/A SER 57.A N THR 14.A O no hydrogen 2.921 N/A SER 57.A OG THR 48.A OG1 no hydrogen 2.776 N/A VAL 58.A N PHE 47.A O no hydrogen 2.823 N/A GLN 59.A N LEU 16.A O no hydrogen 3.037 N/A GLN 59.A NE2 MET 44.A O no hydrogen 2.652 N/A GLN 59.A NE2 GLY 60.A O no hydrogen 3.265 N/A GLY 60.A N TYR 45.A O no hydrogen 3.197 N/A THR 61.A OG1 PRO 18.A O no hydrogen 3.535 N/A THR 61.A OG1 GLY 62.A O no hydrogen 2.616 N/A GLY 62.A N GLY 19.A O no hydrogen 2.965 N/A GLY 64.A N GLU 179.A OE2 no hydrogen 3.068 N/A SER 67.A OG THR 61.A O no hydrogen 2.664 N/A ILE 68.A N GLY 64.A O no hydrogen 3.048 N/A SER 69.A N VAL 65.A O no hydrogen 2.958 N/A SER 69.A OG VAL 65.A O no hydrogen 2.562 N/A ILE 70.A N PRO 66.A O no hydrogen 3.470 N/A TYR 71.A N SER 67.A O no hydrogen 3.460 N/A VAL 72.A N ILE 68.A O no hydrogen 2.919 N/A ASN 73.A N SER 69.A O no hydrogen 2.780 N/A ASN 73.A ND2 SER 69.A O no hydrogen 3.147 N/A GLU 74.A N ILE 70.A O no hydrogen 3.000 N/A LEU 75.A N TYR 71.A O no hydrogen 2.837 N/A ILE 76.A N VAL 72.A O no hydrogen 3.008 N/A GLN 77.A N ASN 73.A O no hydrogen 2.850 N/A SER 78.A N GLU 74.A O no hydrogen 2.769 N/A TYR 79.A N LEU 75.A O no hydrogen 3.258 N/A TYR 79.A OH ILE 4.A O no hydrogen 3.046 N/A TYR 79.A OH ALA 6.A O no hydrogen 3.141 N/A VAL 81.A N LEU 75.A O no hydrogen 3.230 N/A GLN 82.A N ASP 13.A O no hydrogen 2.907 N/A GLN 82.A NE2 ASP 80.A O no hydrogen 2.483 N/A GLN 82.A NE2 ASP 80.A OD1 no hydrogen 3.122 N/A ASN 83.A N ASP 13.A O no hydrogen 2.852 N/A LEU 84.A N LYS 193.A O no hydrogen 2.711 N/A ILE 85.A N VAL 15.A O no hydrogen 3.010 N/A ARG 86.A N LEU 195.A O no hydrogen 2.746 N/A VAL 87.A N LEU 17.A O no hydrogen 3.187 N/A GLY 88.A N ILE 197.A O no hydrogen 3.245 N/A CYS 90.A N THR 199.A O no hydrogen 2.797 N/A CYS 90.A SG GLY 91.A O no hydrogen 3.958 N/A CYS 90.A SG THR 199.A O no hydrogen 3.661 N/A GLY 91.A N VAL 176.A O no hydrogen 2.992 N/A ALA 92.A N ASP 202.A O no hydrogen 2.749 N/A ILE 93.A N LEU 174.A O no hydrogen 2.912 N/A ARG 94.A NE ASP 96.A OD1 no hydrogen 3.323 N/A ARG 94.A NE ASP 96.A OD2 no hydrogen 3.056 N/A ARG 94.A NH1 ALA 169.A O no hydrogen 2.903 N/A ARG 94.A NH2 ASP 96.A OD1 no hydrogen 2.882 N/A VAL 97.A N ARG 94.A O no hydrogen 3.210 N/A LYS 98.A N ASP 101.A OD1 no hydrogen 3.160 N/A ASP 101.A N LYS 98.A O no hydrogen 2.824 N/A VAL 102.A N PRO 146.A O no hydrogen 3.142 N/A ILE 103.A N LEU 198.A O no hydrogen 2.722 N/A LEU 104.A N THR 148.A O no hydrogen 2.904 N/A ALA 105.A N SER 196.A O no hydrogen 3.382 N/A MET 106.A N GLY 150.A O no hydrogen 2.838 N/A THR 107.A OG1 PRO 126.A O no hydrogen 2.436 N/A SER 108.A N THR 107.A OG1 no hydrogen 2.796 N/A SER 108.A OG SER 109.A O no hydrogen 3.334 N/A SER 108.A OG VAL 152.A O no hydrogen 3.567 N/A SER 108.A OG THR 154.A OG1 no hydrogen 2.716 N/A SER 108.A OG THR 181.A OG1 no hydrogen 3.016 N/A SER 109.A N VAL 152.A O no hydrogen 2.834 N/A THR 110.A OG1 THR 154.A O no hydrogen 2.353 N/A SER 112.A N THR 110.A OG1 no hydrogen 3.043 N/A MET 114.A N SER 112.A OG no hydrogen 3.115 N/A VAL 117.A N GLN 113.A O no hydrogen 2.835 N/A PHE 119.A N ASN 115.A O no hydrogen 2.816 N/A GLY 120.A N ARG 116.A O no hydrogen 2.714 N/A CYS 127.A SG ALA 128.A O no hydrogen 3.531 N/A ALA 128.A N MET 106.A O no hydrogen 3.080 N/A ASP 129.A N ALA 194.A O no hydrogen 2.900 N/A LEU 132.A N ASP 129.A OD2 no hydrogen 3.194 N/A LEU 133.A N ASP 129.A O no hydrogen 2.999 N/A LYS 134.A N PHE 130.A O no hydrogen 2.669 N/A ASN 135.A N GLU 131.A O no hydrogen 3.084 N/A ASN 135.A ND2 SER 229.A O no hydrogen 3.402 N/A ALA 136.A N LEU 132.A O no hydrogen 2.923 N/A TYR 137.A N LEU 133.A O no hydrogen 2.873 N/A ASP 138.A N LYS 134.A O no hydrogen 2.849 N/A ALA 139.A N ASN 135.A O no hydrogen 2.845 N/A ALA 140.A N ALA 136.A O no hydrogen 3.114 N/A LYS 141.A N TYR 137.A O no hydrogen 2.938 N/A LYS 141.A NZ TYR 137.A OH no hydrogen 3.212 N/A ASP 142.A N ASP 138.A O no hydrogen 2.857 N/A LYS 143.A N ALA 140.A O no hydrogen 3.112 N/A GLY 144.A N LYS 141.A O no hydrogen 2.927 N/A VAL 145.A N ALA 140.A O no hydrogen 2.882 N/A THR 148.A N VAL 102.A O no hydrogen 2.721 N/A GLY 150.A N LEU 104.A O no hydrogen 3.205 N/A VAL 152.A N THR 107.A O no hydrogen 3.354 N/A PHE 153.A N GLY 175.A O no hydrogen 2.849 N/A THR 154.A N SER 109.A O no hydrogen 2.752 N/A THR 154.A OG1 SER 108.A OG no hydrogen 2.716 N/A THR 154.A OG1 GLU 177.A OE2 no hydrogen 2.761 N/A THR 154.A OG1 THR 181.A OG1 no hydrogen 3.049 N/A ALA 155.A N GLU 177.A O no hydrogen 2.830 N/A SER 163.A N ASN 160.A O no hydrogen 3.111 N/A LEU 168.A N GLN 164.A O no hydrogen 3.106 N/A ALA 169.A N ILE 165.A O no hydrogen 2.811 N/A LYS 170.A N GLU 166.A O no hydrogen 3.334 N/A TYR 171.A N LEU 168.A O no hydrogen 3.213 N/A GLY 172.A N ALA 169.A O no hydrogen 2.873 N/A VAL 173.A N LEU 168.A O no hydrogen 3.119 N/A LEU 174.A N SER 151.A O no hydrogen 2.892 N/A VAL 176.A N GLY 91.A O no hydrogen 2.710 N/A GLU 177.A N PHE 153.A O no hydrogen 2.991 N/A GLU 179.A N GLU 177.A OE1 no hydrogen 3.226 N/A GLU 179.A N GLU 177.A OE2 no hydrogen 3.267 N/A THR 180.A N GLU 177.A OE1 no hydrogen 2.884 N/A THR 180.A N GLU 177.A OE2 no hydrogen 2.978 N/A THR 180.A OG1 GLU 177.A OE1 no hydrogen 2.593 N/A THR 180.A OG1 SER 196.A OG no hydrogen 2.692 N/A THR 181.A N THR 154.A OG1 no hydrogen 2.912 N/A THR 181.A OG1 SER 109.A O no hydrogen 3.472 N/A THR 181.A OG1 THR 154.A OG1 no hydrogen 3.049 N/A LEU 183.A N GLU 179.A O no hydrogen 3.276 N/A TYR 184.A N THR 180.A O no hydrogen 2.859 N/A TYR 184.A OH ALA 105.A O no hydrogen 2.669 N/A THR 185.A N THR 181.A O no hydrogen 2.868 N/A THR 185.A OG1 THR 181.A O no hydrogen 2.758 N/A LEU 186.A N ALA 182.A O no hydrogen 2.870 N/A ALA 187.A N LEU 183.A O no hydrogen 2.916 N/A ALA 188.A N TYR 184.A O no hydrogen 3.223 N/A LYS 189.A N THR 185.A O no hydrogen 3.150 N/A HIS 190.A N LEU 186.A O no hydrogen 3.281 N/A HIS 190.A N ALA 187.A O no hydrogen 3.037 N/A GLY 191.A N ALA 188.A O no hydrogen 2.981 N/A ARG 192.A N ALA 187.A O no hydrogen 2.908 N/A ARG 192.A NE HIS 190.A O no hydrogen 3.164 N/A ARG 192.A NH1 ILE 76.A O no hydrogen 3.285 N/A ARG 192.A NH1 VAL 81.A O no hydrogen 2.816 N/A LYS 193.A N GLN 82.A O no hydrogen 2.961 N/A LEU 195.A N LEU 84.A O no hydrogen 3.070 N/A SER 196.A N TYR 184.A OH no hydrogen 2.700 N/A SER 196.A OG THR 180.A OG1 no hydrogen 2.692 N/A ILE 197.A N ARG 86.A O no hydrogen 2.700 N/A LEU 198.A N ILE 103.A O no hydrogen 2.770 N/A THR 199.A N GLY 88.A O no hydrogen 3.104 N/A SER 201.A N CYS 90.A O no hydrogen 2.838 N/A SER 201.A OG CYS 90.A O no hydrogen 2.795 N/A SER 201.A OG ASP 202.A OD1 no hydrogen 3.508 N/A HIS 203.A N GLU 208.A O no hydrogen 3.350 N/A HIS 203.A NE2 ARG 94.A O no hydrogen 2.854 N/A VAL 204.A N ALA 92.A O no hydrogen 2.840 N/A THR 206.A OG1 GLU 208.A OE1 no hydrogen 2.735 N/A GLU 208.A N THR 206.A O no hydrogen 2.792 N/A THR 210.A OG1 SER 201.A O no hydrogen 3.231 N/A THR 211.A N GLU 214.A OE2 no hydrogen 2.573 N/A THR 211.A OG1 GLU 214.A OE2 no hydrogen 2.382 N/A GLU 214.A N THR 211.A OG1 no hydrogen 3.316 N/A ARG 215.A N THR 211.A O no hydrogen 3.129 N/A GLN 216.A N ALA 212.A O no hydrogen 3.031 N/A THR 217.A N GLU 213.A O no hydrogen 3.228 N/A THR 217.A OG1 GLU 213.A O no hydrogen 2.880 N/A THR 218.A N GLU 214.A O no hydrogen 3.234 N/A THR 218.A OG1 GLU 214.A O no hydrogen 3.135 N/A THR 218.A OG1 ARG 215.A O no hydrogen 3.225 N/A PHE 219.A N ARG 215.A O no hydrogen 2.783 N/A HIS 220.A N GLN 216.A O no hydrogen 3.012 N/A HIS 220.A ND1 TYR 31.A OH no hydrogen 2.712 N/A ASP 221.A N THR 217.A O no hydrogen 2.905 N/A MET 222.A N THR 218.A O no hydrogen 2.925 N/A MET 222.A N PHE 219.A O no hydrogen 2.941 N/A ILE 223.A N PHE 219.A O no hydrogen 3.098 N/A ASP 224.A N HIS 220.A O no hydrogen 2.988 N/A VAL 225.A N ASP 221.A O no hydrogen 2.917 N/A ALA 226.A N MET 222.A O no hydrogen 2.902 N/A LEU 227.A N ILE 223.A O no hydrogen 2.947 N/A HIS 228.A N ASP 224.A O no hydrogen 2.960 N/A SER 229.A N VAL 225.A O no hydrogen 2.921 N/A SER 229.A OG ALA 226.A O no hydrogen 2.445 N/A SER 231.A OG LEU 227.A O no hydrogen 3.450 N/A