Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3d9w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ASP 3.A OD1 no hydrogen 2.717 N/A TYR 6.A N ASP 3.A O no hydrogen 2.819 N/A HIS 7.A N PRO 4.A O no hydrogen 3.099 N/A TRP 8.A N GLU 91.A OE2 no hydrogen 3.001 N/A GLY 10.A N GLU 91.A OE1 no hydrogen 2.918 N/A LEU 13.A N GLY 10.A O no hydrogen 3.032 N/A ASP 14.A N GLN 67.A OE1 no hydrogen 2.969 N/A ALA 17.A N ASP 14.A OD1 no hydrogen 2.807 N/A TYR 18.A N ASP 14.A O no hydrogen 3.047 N/A TYR 18.A OH HIS 42.A ND1 no hydrogen 2.555 N/A LEU 19.A N LEU 15.A O no hydrogen 2.866 N/A ALA 20.A N ASP 16.A O no hydrogen 3.045 N/A ARG 21.A N ALA 17.A O no hydrogen 2.864 N/A ARG 21.A NE LEU 70.A O no hydrogen 2.958 N/A ARG 21.A NH1 ARG 21.A O no hydrogen 2.957 N/A ILE 22.A N TYR 18.A O no hydrogen 3.066 N/A GLY 23.A N ALA 20.A O no hydrogen 3.315 N/A PHE 24.A N LEU 19.A O no hydrogen 2.797 N/A ALA 25.A N GLU 37.A OE2 no hydrogen 2.999 N/A ARG 28.A NH1 ASP 16.A OD1 no hydrogen 2.847 N/A ARG 28.A NH2 ASP 16.A OD1 no hydrogen 2.734 N/A ALA 29.A N GLU 27.A O no hydrogen 2.957 N/A THR 31.A N ALA 29.A O no hydrogen 2.881 N/A LEU 32.A N ASP 125.A OD2 no hydrogen 2.637 N/A THR 34.A N THR 31.A OG1 no hydrogen 3.333 N/A THR 34.A OG1 GLU 27.A O no hydrogen 2.564 N/A THR 34.A OG1 ALA 29.A O no hydrogen 3.076 N/A LEU 35.A N THR 31.A O no hydrogen 2.991 N/A ARG 36.A N LEU 32.A O no hydrogen 2.912 N/A GLU 37.A N THR 34.A O no hydrogen 2.875 N/A LEU 38.A N THR 34.A O no hydrogen 2.746 N/A VAL 39.A N LEU 35.A O no hydrogen 3.128 N/A ARG 41.A N GLU 37.A O no hydrogen 2.883 N/A ARG 41.A NE GLU 37.A OE2 no hydrogen 2.981 N/A ARG 41.A NH2 GLU 37.A OE2 no hydrogen 3.539 N/A HIS 42.A N LEU 38.A O no hydrogen 3.094 N/A HIS 42.A ND1 TYR 18.A OH no hydrogen 2.555 N/A HIS 42.A NE2 ASN 82.A OD1 no hydrogen 2.502 N/A THR 43.A N VAL 39.A O no hydrogen 3.010 N/A THR 43.A OG1 VAL 39.A O no hydrogen 2.601 N/A THR 43.A OG1 TYR 40.A O no hydrogen 3.129 N/A THR 44.A N TYR 40.A O no hydrogen 3.061 N/A THR 44.A OG1 TYR 40.A O no hydrogen 2.752 N/A THR 44.A OG1 ARG 41.A O no hydrogen 3.380 N/A ALA 45.A N HIS 42.A O no hydrogen 3.089 N/A ILE 46.A N HIS 42.A O no hydrogen 2.981 N/A PHE 48.A N GLN 222.A O no hydrogen 2.837 N/A GLU 49.A N GLY 77.A O no hydrogen 3.315 N/A ASN 50.A ND2 PHE 215.A O no hydrogen 2.565 N/A ASN 50.A ND2 ARG 218.A O no hydrogen 2.947 N/A LEU 51.A N GLU 49.A OE1 no hydrogen 3.241 N/A VAL 54.A N ASN 50.A O no hydrogen 3.142 N/A LEU 55.A N LEU 51.A O no hydrogen 2.863 N/A LEU 55.A N GLU 52.A O no hydrogen 3.052 N/A GLY 56.A N ALA 53.A O no hydrogen 3.209 N/A ARG 57.A N GLU 52.A O no hydrogen 2.895 N/A ARG 57.A NE GLU 52.A OE1 no hydrogen 2.739 N/A ARG 57.A NH1 ASP 272.A OD1 no hydrogen 2.957 N/A ARG 57.A NH2 GLU 52.A OE1 no hydrogen 3.465 N/A ARG 57.A NH2 GLU 52.A OE2 no hydrogen 3.398 N/A ARG 57.A NH2 ASP 272.A OD1 no hydrogen 3.437 N/A ARG 57.A NH2 ASP 272.A OD2 no hydrogen 2.856 N/A THR 65.A N ASP 62.A OD2 no hydrogen 2.859 N/A THR 65.A OG1 ASP 62.A OD1 no hydrogen 3.314 N/A THR 65.A OG1 ASP 62.A OD2 no hydrogen 2.906 N/A LEU 66.A N ASP 62.A O no hydrogen 3.113 N/A GLN 67.A N LEU 63.A O no hydrogen 2.852 N/A GLN 67.A N ALA 64.A O no hydrogen 3.186 N/A GLN 67.A NE2 GLU 12.A O no hydrogen 2.758 N/A GLN 67.A NE2 LEU 63.A O no hydrogen 3.633 N/A ASP 68.A N ALA 64.A O no hydrogen 3.131 N/A LYS 69.A N THR 65.A O no hydrogen 2.910 N/A LYS 69.A NZ GLU 81.A OE2 no hydrogen 2.702 N/A LEU 70.A N LEU 66.A O no hydrogen 3.037 N/A VAL 71.A N GLN 67.A O no hydrogen 3.077 N/A HIS 72.A N GLN 67.A O no hydrogen 3.025 N/A SER 73.A OG ASP 68.A O no hydrogen 2.766 N/A ARG 74.A NE GLU 267.A OE1 no hydrogen 2.783 N/A ARG 74.A NH1 ASP 265.A OD1 no hydrogen 3.246 N/A ARG 74.A NH2 ASN 261.A O no hydrogen 3.371 N/A ARG 74.A NH2 GLU 267.A OE1 no hydrogen 2.963 N/A ARG 75.A NE GLU 49.A OE2 no hydrogen 2.643 N/A ARG 75.A NH1 GLU 52.A OE2 no hydrogen 3.060 N/A ARG 75.A NH2 GLU 49.A OE1 no hydrogen 2.901 N/A ARG 75.A NH2 GLU 52.A OE2 no hydrogen 2.538 N/A GLY 76.A N GLU 49.A OE2 no hydrogen 2.726 N/A GLY 77.A N PRO 47.A O no hydrogen 3.350 N/A TYR 78.A N GLU 81.A OE1 no hydrogen 2.581 N/A TYR 78.A OH ASN 204.A OD1 no hydrogen 2.527 N/A CYS 79.A SG THR 115.A O no hydrogen 3.420 N/A ASN 82.A N TYR 78.A O no hydrogen 2.901 N/A ASN 82.A ND2 TYR 78.A O no hydrogen 3.615 N/A ALA 83.A N CYS 79.A O no hydrogen 2.724 N/A GLY 84.A N TYR 80.A O no hydrogen 2.840 N/A LEU 85.A N GLU 81.A O no hydrogen 3.310 N/A PHE 86.A N ASN 82.A O no hydrogen 3.029 N/A ALA 87.A N ALA 83.A O no hydrogen 2.767 N/A ALA 88.A N GLY 84.A O no hydrogen 3.412 N/A ALA 89.A N LEU 85.A O no hydrogen 3.229 N/A LEU 90.A N PHE 86.A O no hydrogen 2.960 N/A GLU 91.A N ALA 87.A O no hydrogen 2.890 N/A ARG 92.A N ALA 88.A O no hydrogen 2.971 N/A ARG 92.A NH1 GLY 10.A O no hydrogen 3.023 N/A ARG 92.A NH1 LEU 13.A O no hydrogen 2.860 N/A LEU 93.A N ALA 89.A O no hydrogen 2.983 N/A GLY 94.A N GLU 91.A O no hydrogen 2.651 N/A PHE 95.A N LEU 90.A O no hydrogen 3.071 N/A GLY 96.A N THR 122.A O no hydrogen 3.095 N/A THR 98.A N ARG 120.A O no hydrogen 3.196 N/A HIS 100.A N LEU 118.A O no hydrogen 3.053 N/A HIS 100.A ND1 ALA 193.A O no hydrogen 3.166 N/A THR 101.A OG1 GLN 195.A OE1 no hydrogen 2.816 N/A GLY 102.A N HIS 116.A O no hydrogen 3.037 N/A ARG 103.A N THR 189.A O no hydrogen 2.605 N/A ARG 103.A NH1 ARG 112.A O no hydrogen 3.178 N/A THR 105.A N ARG 187.A O no hydrogen 2.839 N/A THR 105.A OG1 ASP 186.A O no hydrogen 3.235 N/A THR 105.A OG1 ASP 186.A OD1 no hydrogen 2.550 N/A THR 105.A OG1 ARG 187.A O no hydrogen 2.999 N/A MET 106.A N ARG 187.A O no hydrogen 2.829 N/A GLY 107.A N ASP 186.A O no hydrogen 3.199 N/A GLY 107.A N ASP 186.A OD1 no hydrogen 2.915 N/A ALA 108.A N THR 105.A O no hydrogen 2.789 N/A ARG 112.A NH2 THR 105.A O no hydrogen 2.575 N/A HIS 116.A N GLY 102.A O no hydrogen 3.182 N/A HIS 116.A NE2 ASP 133.A OD1 no hydrogen 2.901 N/A LEU 118.A N HIS 100.A O no hydrogen 2.997 N/A LEU 119.A N CYS 132.A O no hydrogen 3.143 N/A ARG 120.A N THR 98.A O no hydrogen 2.920 N/A VAL 121.A N TRP 130.A O no hydrogen 2.447 N/A THR 122.A N GLY 96.A O no hydrogen 3.027 N/A THR 123.A OG1 ASP 125.A OD2 no hydrogen 2.998 N/A ALA 124.A N PRO 30.A O no hydrogen 2.876 N/A ASP 125.A N THR 123.A OG1 no hydrogen 3.139 N/A ARG 128.A N ASP 126.A OD1 no hydrogen 2.519 N/A ARG 128.A NH1 ASP 126.A OD2 no hydrogen 2.828 N/A TRP 130.A N VAL 121.A O no hydrogen 2.635 N/A MET 131.A N TYR 144.A O no hydrogen 2.827 N/A CYS 132.A N LEU 119.A O no hydrogen 2.629 N/A ARG 138.A NE GLU 240.A OE1 no hydrogen 3.514 N/A ARG 138.A NH2 PHE 179.A O no hydrogen 3.069 N/A ARG 138.A NH2 GLU 240.A OE2 no hydrogen 2.759 N/A ARG 142.A NE ARG 36.A O no hydrogen 3.172 N/A ARG 142.A NH2 ARG 36.A O no hydrogen 2.669 N/A TYR 144.A N MET 131.A O no hydrogen 3.116 N/A TYR 144.A OH TYR 188.A OH no hydrogen 2.610 N/A LEU 146.A N VAL 129.A O no hydrogen 2.722 N/A ARG 147.A N GLU 145.A O no hydrogen 2.914 N/A ARG 147.A NE GLU 145.A OE1 no hydrogen 2.754 N/A GLN 149.A N LEU 162.A O no hydrogen 2.805 N/A GLN 149.A NE2 ARG 147.A O no hydrogen 3.414 N/A PHE 153.A N PHE 160.A O no hydrogen 2.911 N/A LEU 155.A N TRP 158.A O no hydrogen 3.048 N/A TRP 158.A N LEU 155.A O no hydrogen 3.327 N/A TRP 158.A NE1 SER 226.A O no hydrogen 3.051 N/A ARG 159.A NE GLU 152.A OE2 no hydrogen 2.965 N/A ARG 159.A NH2 GLU 152.A OE1 no hydrogen 2.983 N/A PHE 160.A N PHE 153.A O no hydrogen 2.896 N/A ARG 161.A N HIS 177.A O no hydrogen 3.059 N/A LEU 162.A N GLN 149.A O no hydrogen 2.833 N/A GLU 163.A N VAL 175.A O no hydrogen 2.859 N/A ARG 165.A N LEU 173.A O no hydrogen 2.772 N/A ARG 165.A NE GLU 163.A OE2 no hydrogen 2.952 N/A ARG 165.A NH2 GLU 163.A OE2 no hydrogen 2.985 N/A GLY 167.A N THR 171.A O no hydrogen 2.785 N/A GLY 170.A N GLY 167.A O no hydrogen 3.352 N/A THR 171.A OG1 GLU 168.A O no hydrogen 2.704 N/A LEU 173.A N ARG 165.A O no hydrogen 2.962 N/A TRP 174.A N PHE 190.A O no hydrogen 2.923 N/A VAL 175.A N GLU 163.A O no hydrogen 2.855 N/A LEU 176.A N TYR 188.A O no hydrogen 3.317 N/A HIS 177.A N ARG 161.A O no hydrogen 2.738 N/A GLN 178.A N VAL 185.A O no hydrogen 2.897 N/A PHE 179.A N ARG 159.A O no hydrogen 3.161 N/A GLY 180.A N GLY 183.A O no hydrogen 3.034 N/A GLY 183.A N GLY 180.A O no hydrogen 2.554 N/A ARG 187.A N LEU 176.A O no hydrogen 2.931 N/A ARG 187.A NE GLN 178.A OE1 no hydrogen 2.862 N/A ARG 187.A NH1 GLY 139.A O no hydrogen 2.882 N/A ARG 187.A NH2 ARG 138.A O no hydrogen 2.946 N/A ARG 187.A NH2 GLN 178.A OE1 no hydrogen 3.084 N/A TYR 188.A OH ASP 133.A OD2 no hydrogen 3.252 N/A TYR 188.A OH TYR 144.A OH no hydrogen 2.610 N/A THR 189.A N ARG 103.A O no hydrogen 2.877 N/A PHE 190.A N TRP 174.A O no hydrogen 2.992 N/A GLN 195.A N GLY 99.A O no hydrogen 2.726 N/A GLN 195.A NE2 PRO 194.A O no hydrogen 3.280 N/A TYR 196.A N ASP 199.A OD2 no hydrogen 2.359 N/A ARG 197.A NE HIS 7.A O no hydrogen 2.943 N/A PHE 200.A N TYR 196.A O no hydrogen 3.025 N/A GLU 201.A N ARG 197.A O no hydrogen 2.949 N/A VAL 202.A N ILE 198.A O no hydrogen 3.272 N/A GLY 203.A N ASP 199.A O no hydrogen 3.141 N/A ASN 204.A N PHE 200.A O no hydrogen 2.626 N/A ASN 204.A ND2 VAL 59.A O no hydrogen 2.932 N/A HIS 205.A N GLU 201.A O no hydrogen 2.766 N/A PHE 206.A N VAL 202.A O no hydrogen 3.047 N/A VAL 207.A N GLY 203.A O no hydrogen 3.008 N/A SER 208.A N ASN 204.A O no hydrogen 3.098 N/A SER 208.A OG ASN 204.A O no hydrogen 2.547 N/A THR 209.A N HIS 205.A O no hydrogen 3.162 N/A THR 209.A OG1 HIS 205.A O no hydrogen 2.413 N/A SER 210.A N PHE 206.A O no hydrogen 2.910 N/A SER 213.A N SER 210.A O no hydrogen 3.182 N/A SER 213.A OG VAL 207.A O no hydrogen 2.699 N/A THR 216.A OG1 SER 210.A O no hydrogen 3.160 N/A THR 216.A OG1 SER 213.A O no hydrogen 2.752 N/A THR 217.A N PRO 214.A O no hydrogen 2.981 N/A THR 217.A OG1 PRO 214.A O no hydrogen 2.418 N/A ARG 218.A N THR 217.A OG1 no hydrogen 2.624 N/A PHE 220.A N ASN 50.A OD1 no hydrogen 2.733 N/A LEU 221.A N LEU 232.A O no hydrogen 2.878 N/A GLN 222.A N PHE 48.A O no hydrogen 3.101 N/A GLN 222.A NE2 PHE 136.A O no hydrogen 2.986 N/A ARG 223.A N HIS 230.A O no hydrogen 3.031 N/A ARG 223.A NE ASP 265.A OD2 no hydrogen 2.916 N/A ARG 223.A NH1 THR 44.A O no hydrogen 2.844 N/A ARG 223.A NH2 THR 44.A O no hydrogen 3.535 N/A ARG 223.A NH2 ASP 265.A OD2 no hydrogen 3.233 N/A HIS 225.A N ARG 228.A O no hydrogen 2.787 N/A ARG 228.A NE HIS 230.A NE2 no hydrogen 3.026 N/A ARG 228.A NH1 ASP 227.A OD1 no hydrogen 3.497 N/A HIS 229.A N GLU 240.A O no hydrogen 2.802 N/A HIS 229.A NE2 GLN 222.A OE1 no hydrogen 2.867 N/A HIS 230.A N ARG 223.A O no hydrogen 2.920 N/A HIS 230.A ND1 THR 239.A OG1 no hydrogen 2.991 N/A VAL 231.A N ILE 238.A O no hydrogen 2.657 N/A LEU 232.A N LEU 221.A O no hydrogen 2.605 N/A ASP 233.A N THR 236.A O no hydrogen 2.945 N/A GLY 234.A N PRO 219.A O no hydrogen 3.176 N/A THR 236.A N ASP 233.A O no hydrogen 3.450 N/A LEU 237.A N ARG 249.A O no hydrogen 2.862 N/A ILE 238.A N VAL 231.A O no hydrogen 2.712 N/A THR 239.A N ASP 247.A O no hydrogen 3.146 N/A THR 239.A OG1 HIS 230.A ND1 no hydrogen 2.991 N/A GLU 240.A N HIS 229.A O no hydrogen 2.732 N/A ARG 241.A N SER 245.A O no hydrogen 3.124 N/A ARG 241.A NH1 ASP 247.A OD2 no hydrogen 3.520 N/A GLY 244.A N ARG 241.A O no hydrogen 2.863 N/A SER 245.A N ASP 243.A OD1 no hydrogen 2.926 N/A SER 245.A OG ASP 243.A OD1 no hydrogen 2.583 N/A SER 245.A OG ASP 243.A OD2 no hydrogen 3.179 N/A ASP 247.A N THR 239.A O no hydrogen 3.200 N/A ARG 249.A N LEU 237.A O no hydrogen 2.899 N/A ARG 249.A NH1 GLU 255.A OE2 no hydrogen 3.368 N/A LEU 251.A N LEU 235.A O no hydrogen 2.752 N/A THR 252.A N GLU 255.A OE1 no hydrogen 2.665 N/A GLU 255.A N THR 252.A O no hydrogen 2.867 N/A LEU 256.A N PRO 253.A O no hydrogen 2.997 N/A VAL 259.A N GLU 255.A O no hydrogen 3.339 N/A ILE 260.A N LEU 256.A O no hydrogen 2.856 N/A ASN 261.A N PRO 257.A O no hydrogen 3.084 N/A ASN 261.A N GLU 258.A O no hydrogen 3.169 N/A GLU 262.A N GLU 258.A O no hydrogen 2.911 N/A LEU 263.A N VAL 259.A O no hydrogen 2.786 N/A ILE 266.A N ILE 260.A O no hydrogen 3.091 N/A GLU 267.A N ARG 74.A O no hydrogen 2.696 N/A ASP 272.A N PRO 269.A O no hydrogen 3.173 N/A LEU 273.A N PRO 269.A O no hydrogen 3.133 N/A ASP 274.A N GLY 270.A O no hydrogen 2.630 N/A ALA 275.A N PRO 271.A O no hydrogen 2.782 N/A LEU 276.A N ASP 272.A O no hydrogen 2.470 N/A THR 277.A N LEU 273.A O no hydrogen 2.473 N/A THR 277.A OG1 LEU 273.A O no hydrogen 3.160 N/A THR 278.A OG1 ASP 274.A O no hydrogen 3.334 N/A GLY 279.A N LEU 276.A O no hydrogen 3.098 N/A TRP 281.A NE1 LEU 276.A O no hydrogen 2.949 N/A LEU 282.A N GLY 279.A O no hydrogen 3.039 N/A GLU 283.A N SER 280.A O no hydrogen 3.195 N/A ARG 284.A N TRP 281.A O no hydrogen 2.860 N/A