Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i53_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 9.A N GLY 5.A O no hydrogen 2.927 N/A ALA 10.A N LEU 6.A O no hydrogen 3.094 N/A ALA 10.A N ARG 7.A O no hydrogen 2.943 N/A ASP 11.A N ALA 8.A O no hydrogen 3.286 N/A THR 14.A N ASP 11.A OD2 no hydrogen 3.004 N/A THR 14.A OG1 ASP 11.A OD2 no hydrogen 3.251 N/A THR 14.A OG1 HIS 57.A NE2 no hydrogen 2.725 N/A MET 16.A N LEU 12.A O no hydrogen 3.094 N/A ALA 17.A N ALA 13.A O no hydrogen 2.873 N/A VAL 18.A N THR 14.A O no hydrogen 2.952 N/A ARG 19.A N PRO 15.A O no hydrogen 3.089 N/A ARG 19.A NH2 ASP 103.A OD1 no hydrogen 3.215 N/A VAL 20.A N MET 16.A O no hydrogen 2.767 N/A ALA 21.A N ALA 17.A O no hydrogen 2.979 N/A ALA 22.A N VAL 18.A O no hydrogen 2.850 N/A THR 23.A N ARG 19.A O no hydrogen 2.975 N/A THR 23.A OG1 ARG 19.A O no hydrogen 2.500 N/A LEU 24.A N VAL 20.A O no hydrogen 2.764 N/A ARG 25.A N ALA 22.A O no hydrogen 3.171 N/A VAL 26.A N ALA 21.A O no hydrogen 3.221 N/A ASP 28.A N ARG 25.A O no hydrogen 3.122 N/A HIS 29.A N ARG 25.A O no hydrogen 3.182 N/A ILE 30.A N VAL 26.A O no hydrogen 3.076 N/A ALA 31.A N ALA 27.A O no hydrogen 3.170 N/A ALA 32.A N HIS 29.A O no hydrogen 3.116 N/A GLY 33.A N ILE 30.A O no hydrogen 3.154 N/A HIS 34.A N HIS 29.A O no hydrogen 2.876 N/A ARG 35.A N GLU 39.A OE1 no hydrogen 2.983 N/A ILE 40.A N THR 36.A O no hydrogen 2.889 N/A ALA 41.A N ALA 37.A O no hydrogen 2.839 N/A SER 42.A N ALA 38.A O no hydrogen 3.057 N/A SER 42.A OG ALA 38.A O no hydrogen 3.292 N/A SER 42.A OG GLU 39.A O no hydrogen 3.111 N/A ALA 43.A N GLU 39.A O no hydrogen 3.130 N/A ALA 44.A N ILE 40.A O no hydrogen 2.797 N/A GLY 45.A N ALA 41.A O no hydrogen 2.740 N/A ALA 46.A N ALA 41.A O no hydrogen 2.826 N/A LEU 51.A N HIS 47.A O no hydrogen 2.813 N/A ASP 52.A N ALA 48.A O no hydrogen 2.921 N/A ARG 53.A N ASP 49.A O no hydrogen 3.364 N/A LEU 54.A N SER 50.A O no hydrogen 3.167 N/A LEU 55.A N LEU 51.A O no hydrogen 2.847 N/A ARG 56.A N ASP 52.A O no hydrogen 2.887 N/A HIS 57.A N ARG 53.A O no hydrogen 3.182 N/A HIS 57.A NE2 THR 14.A OG1 no hydrogen 2.725 N/A LEU 58.A N LEU 54.A O no hydrogen 3.008 N/A VAL 59.A N LEU 55.A O no hydrogen 2.781 N/A VAL 59.A N ARG 56.A O no hydrogen 3.126 N/A ALA 60.A N ARG 56.A O no hydrogen 2.981 N/A VAL 61.A N HIS 57.A O no hydrogen 3.073 N/A GLY 62.A N VAL 59.A O no hydrogen 2.763 N/A LEU 63.A N LEU 58.A O no hydrogen 2.988 N/A THR 65.A N GLY 73.A O no hydrogen 2.751 N/A ASP 67.A N VAL 71.A O no hydrogen 3.082 N/A GLN 69.A N ASP 67.A OD2 no hydrogen 2.577 N/A GLY 70.A N ASP 67.A O no hydrogen 3.056 N/A VAL 71.A N ASP 67.A OD2 no hydrogen 3.119 N/A TYR 72.A N ARG 35.A O no hydrogen 2.994 N/A TYR 72.A OH ASP 52.A OD1 no hydrogen 2.485 N/A GLY 73.A N THR 65.A O no hydrogen 2.912 N/A THR 75.A N LEU 63.A O no hydrogen 3.214 N/A THR 75.A OG1 GLY 62.A O no hydrogen 2.795 N/A THR 75.A OG1 LEU 63.A O no hydrogen 2.992 N/A GLY 78.A N THR 75.A OG1 no hydrogen 3.006 N/A GLU 79.A N THR 75.A O no hydrogen 3.037 N/A GLN 80.A N PHE 77.A O no hydrogen 3.321 N/A LEU 81.A N GLY 78.A O no hydrogen 2.893 N/A ARG 82.A N GLU 79.A O no hydrogen 3.120 N/A ARG 82.A NH1 GLU 79.A OE1 no hydrogen 2.825 N/A ASP 83.A N ASP 28.A OD1 no hydrogen 3.330 N/A ASP 83.A N ASP 28.A OD2 no hydrogen 3.263 N/A HIS 85.A N ARG 82.A O no hydrogen 3.017 N/A GLY 88.A N HIS 85.A O no hydrogen 3.056 N/A ARG 90.A NE ASP 83.A OD1 no hydrogen 3.053 N/A ARG 90.A NH1 ALA 22.A O no hydrogen 2.832 N/A ARG 90.A NH1 ASP 94.A OD2 no hydrogen 2.709 N/A ARG 90.A NH2 ASP 83.A OD1 no hydrogen 3.375 N/A ARG 90.A NH2 ASP 94.A OD2 no hydrogen 3.375 N/A TRP 92.A N LYS 89.A O no hydrogen 3.086 N/A LEU 93.A N ARG 90.A O no hydrogen 3.124 N/A ASP 94.A N ARG 90.A O no hydrogen 2.986 N/A MET 95.A N THR 23.A OG1 no hydrogen 2.999 N/A ASN 96.A N ASP 94.A OD1 no hydrogen 2.647 N/A SER 97.A N ASP 94.A O no hydrogen 2.839 N/A SER 97.A OG LYS 91.A O no hydrogen 2.803 N/A SER 97.A OG ASP 94.A O no hydrogen 2.901 N/A ALA 98.A N SER 141.A OG no hydrogen 2.966 N/A GLY 100.A N SER 97.A OG no hydrogen 2.837 N/A ARG 101.A N SER 97.A O no hydrogen 2.732 N/A ARG 101.A NE TYR 120.A OH no hydrogen 2.779 N/A ARG 101.A NH2 ASP 131.A OD2 no hydrogen 3.305 N/A GLY 102.A N ALA 98.A O no hydrogen 2.868 N/A ASP 103.A N VAL 99.A O no hydrogen 2.796 N/A LEU 104.A N ARG 101.A O no hydrogen 3.308 N/A GLY 105.A N GLY 102.A O no hydrogen 2.916 N/A PHE 106.A N ASP 103.A O no hydrogen 3.095 N/A VAL 107.A N LEU 104.A O no hydrogen 2.968 N/A GLU 108.A N GLY 105.A O no hydrogen 2.810 N/A LEU 109.A N PHE 106.A O no hydrogen 2.999 N/A HIS 111.A N GLU 108.A O no hydrogen 2.957 N/A SER 112.A OG GLN 117.A O no hydrogen 2.570 N/A ILE 113.A N LEU 109.A O no hydrogen 2.966 N/A ARG 114.A N ALA 110.A O no hydrogen 3.005 N/A THR 115.A N HIS 111.A O no hydrogen 2.832 N/A THR 115.A OG1 HIS 111.A O no hydrogen 2.894 N/A GLY 116.A N SER 112.A O no hydrogen 2.658 N/A GLN 117.A N THR 115.A OG1 no hydrogen 3.023 N/A ALA 119.A N THR 285.A O no hydrogen 2.712 N/A TYR 120.A N THR 285.A O no hydrogen 2.858 N/A TYR 120.A OH ASP 131.A OD2 no hydrogen 2.484 N/A VAL 122.A N ALA 119.A O no hydrogen 2.954 N/A ARG 123.A N TYR 120.A O no hydrogen 3.199 N/A ARG 123.A NE TYR 124.A OH no hydrogen 2.993 N/A TYR 124.A N TYR 120.A O no hydrogen 2.984 N/A TYR 124.A OH ARG 101.A O no hydrogen 2.617 N/A GLY 125.A N PRO 121.A O no hydrogen 2.756 N/A GLU 130.A N SER 127.A OG no hydrogen 2.990 N/A ASP 131.A N SER 127.A O no hydrogen 2.976 N/A LEU 132.A N PHE 128.A O no hydrogen 2.961 N/A GLY 133.A N TRP 129.A O no hydrogen 2.761 N/A SER 134.A N GLU 130.A O no hydrogen 3.049 N/A SER 134.A N ASP 131.A O no hydrogen 3.228 N/A SER 134.A OG ASP 131.A O no hydrogen 3.098 N/A ASP 135.A N ASP 131.A O no hydrogen 3.074 N/A VAL 137.A N ASP 135.A OD1 no hydrogen 2.514 N/A LEU 138.A N ASP 135.A OD1 no hydrogen 3.142 N/A SER 139.A N ASP 135.A O no hydrogen 2.912 N/A ALA 140.A N PRO 136.A O no hydrogen 2.804 N/A SER 141.A N VAL 137.A O no hydrogen 2.882 N/A PHE 142.A N LEU 138.A O no hydrogen 2.852 N/A ASP 143.A N SER 139.A O no hydrogen 2.930 N/A THR 144.A N ALA 140.A O no hydrogen 3.031 N/A THR 144.A OG1 ALA 140.A O no hydrogen 2.985 N/A LEU 145.A N SER 141.A O no hydrogen 2.937 N/A MET 146.A N PHE 142.A O no hydrogen 2.852 N/A SER 147.A N ASP 143.A O no hydrogen 2.879 N/A HIS 148.A N THR 144.A O no hydrogen 3.184 N/A HIS 149.A N LEU 145.A O no hydrogen 3.196 N/A HIS 149.A ND1 MET 146.A O no hydrogen 2.724 N/A LEU 150.A N MET 146.A O no hydrogen 2.772 N/A GLU 151.A N SER 147.A O no hydrogen 3.097 N/A LEU 152.A N HIS 148.A O no hydrogen 3.272 N/A ASP 153.A N HIS 149.A O no hydrogen 3.210 N/A TYR 154.A N LEU 150.A O no hydrogen 2.774 N/A TYR 154.A OH SER 238.A OG no hydrogen 2.732 N/A THR 155.A OG1 GLU 151.A O no hydrogen 2.706 N/A ILE 157.A N TYR 154.A O no hydrogen 2.805 N/A ALA 159.A N GLY 156.A O no hydrogen 3.055 N/A LYS 160.A N ILE 157.A O no hydrogen 3.057 N/A LYS 160.A NZ ILE 314.A O no hydrogen 2.540 N/A TYR 161.A OH GLU 321.A OE2 no hydrogen 2.660 N/A TRP 163.A N TYR 161.A O no hydrogen 2.832 N/A TRP 163.A NE1 ILE 157.A O no hydrogen 3.010 N/A ALA 165.A N ASP 162.A OD1 no hydrogen 3.462 N/A LEU 166.A N TRP 163.A O no hydrogen 2.967 N/A GLY 167.A N ALA 164.A O no hydrogen 3.196 N/A HIS 168.A N LEU 166.A O no hydrogen 2.686 N/A HIS 168.A ND1 SER 191.A OG no hydrogen 2.711 N/A VAL 169.A N SER 191.A O no hydrogen 2.938 N/A VAL 170.A N GLY 234.A O no hydrogen 2.770 N/A ASP 171.A N THR 193.A O no hydrogen 2.928 N/A VAL 172.A N VAL 236.A O no hydrogen 2.807 N/A GLY 173.A N LEU 195.A O no hydrogen 2.764 N/A GLY 174.A N LEU 195.A O no hydrogen 3.320 N/A GLY 175.A N ASP 196.A OD2 no hydrogen 2.976 N/A SER 176.A OG ASP 143.A OD1 no hydrogen 2.507 N/A SER 176.A OG ASP 143.A OD2 no hydrogen 3.151 N/A GLY 177.A N GLY 174.A O no hydrogen 3.166 N/A SER 181.A N GLY 177.A O no hydrogen 2.916 N/A ALA 182.A N GLY 178.A O no hydrogen 3.082 N/A LEU 183.A N LEU 179.A O no hydrogen 2.996 N/A LEU 184.A N LEU 180.A O no hydrogen 2.964 N/A THR 185.A N SER 181.A O no hydrogen 3.126 N/A THR 185.A OG1 SER 181.A O no hydrogen 2.887 N/A ALA 186.A N ALA 182.A O no hydrogen 3.438 N/A HIS 187.A N LEU 183.A O no hydrogen 2.911 N/A HIS 187.A NE2 ALA 158.A O no hydrogen 3.165 N/A LEU 190.A N HIS 187.A O no hydrogen 3.259 N/A SER 191.A N GLY 167.A O no hydrogen 3.072 N/A SER 191.A OG GLY 167.A O no hydrogen 3.168 N/A SER 191.A OG HIS 168.A ND1 no hydrogen 2.711 N/A GLY 192.A N ARG 216.A O no hydrogen 3.173 N/A THR 193.A N VAL 169.A O no hydrogen 2.996 N/A VAL 194.A N GLN 218.A O no hydrogen 3.029 N/A LEU 195.A N ASP 171.A O no hydrogen 3.114 N/A ASP 196.A N VAL 220.A O no hydrogen 3.350 N/A LEU 197.A N ASP 196.A OD1 no hydrogen 2.534 N/A ALA 201.A N LEU 197.A O no hydrogen 2.968 N/A SER 202.A N GLN 198.A O no hydrogen 2.858 N/A SER 202.A OG GLN 198.A O no hydrogen 2.803 N/A ALA 203.A N GLY 199.A O no hydrogen 3.210 N/A ALA 204.A N PRO 200.A O no hydrogen 2.766 N/A HIS 205.A N ALA 201.A O no hydrogen 2.960 N/A ARG 206.A N SER 202.A O no hydrogen 3.006 N/A ARG 207.A N ALA 203.A O no hydrogen 2.819 N/A ARG 207.A NE SER 176.A O no hydrogen 2.779 N/A ARG 207.A NH2 SER 176.A OG no hydrogen 3.124 N/A PHE 208.A N ALA 204.A O no hydrogen 2.849 N/A LEU 209.A N HIS 205.A O no hydrogen 3.112 N/A ASP 210.A N ARG 206.A O no hydrogen 3.032 N/A THR 211.A N ARG 207.A O no hydrogen 2.933 N/A THR 211.A OG1 ARG 207.A O no hydrogen 3.319 N/A GLY 212.A N LEU 209.A O no hydrogen 3.229 N/A LEU 213.A N PHE 208.A O no hydrogen 2.771 N/A SER 214.A N PHE 208.A O no hydrogen 3.136 N/A ARG 216.A N LEU 213.A O no hydrogen 2.717 N/A ARG 216.A NH1 LEU 184.A O no hydrogen 3.008 N/A ARG 216.A NH1 HIS 187.A O no hydrogen 2.828 N/A ARG 216.A NH1 LEU 190.A O no hydrogen 2.923 N/A ARG 216.A NH2 LEU 184.A O no hydrogen 2.695 N/A ALA 217.A N LEU 213.A O no hydrogen 2.788 N/A GLN 218.A N GLY 192.A O no hydrogen 3.171 N/A VAL 220.A N VAL 194.A O no hydrogen 2.830 N/A GLY 222.A N ASP 196.A O no hydrogen 3.024 N/A PHE 225.A N SER 223.A OG no hydrogen 3.322 N/A ASP 226.A N SER 223.A O no hydrogen 3.037 N/A GLY 231.A N ALA 259.A O no hydrogen 3.353 N/A ALA 232.A N TYR 235.A OH no hydrogen 3.211 N/A GLY 233.A N HIS 168.A O no hydrogen 3.010 N/A GLY 234.A N HIS 168.A O no hydrogen 3.331 N/A TYR 235.A N VAL 265.A O no hydrogen 2.914 N/A TYR 235.A OH PRO 229.A O no hydrogen 2.574 N/A TYR 235.A OH ALA 259.A O no hydrogen 3.238 N/A VAL 236.A N VAL 170.A O no hydrogen 2.727 N/A LEU 237.A N LEU 267.A O no hydrogen 2.818 N/A SER 238.A OG TYR 154.A OH no hydrogen 2.732 N/A ALA 239.A N ILE 269.A O no hydrogen 2.874 N/A HIS 242.A N GLU 270.A OE2 no hydrogen 3.301 N/A ASP 243.A N VAL 240.A O no hydrogen 2.835 N/A TRP 244.A N LEU 241.A O no hydrogen 2.971 N/A SER 248.A N ASP 245.A OD1 no hydrogen 2.922 N/A SER 248.A OG ASP 245.A OD1 no hydrogen 3.521 N/A SER 248.A OG ASP 245.A OD2 no hydrogen 2.813 N/A ALA 249.A N ASP 245.A O no hydrogen 2.862 N/A VAL 250.A N ASP 246.A O no hydrogen 2.875 N/A ALA 251.A N LEU 247.A O no hydrogen 3.196 N/A ILE 252.A N SER 248.A O no hydrogen 2.915 N/A LEU 253.A N ALA 249.A O no hydrogen 2.876 N/A ARG 254.A N VAL 250.A O no hydrogen 2.714 N/A ARG 254.A NH1 GLN 303.A O no hydrogen 2.779 N/A ARG 255.A N ALA 251.A O no hydrogen 3.153 N/A ARG 255.A NE PHE 225.A O no hydrogen 2.883 N/A ARG 255.A NH1 GLU 258.A OE1 no hydrogen 2.696 N/A ARG 255.A NH1 GLU 258.A OE2 no hydrogen 3.347 N/A ARG 255.A NH2 PHE 225.A O no hydrogen 3.516 N/A CYS 256.A N ILE 252.A O no hydrogen 3.112 N/A CYS 256.A SG ILE 252.A O no hydrogen 3.623 N/A ALA 257.A N LEU 253.A O no hydrogen 2.872 N/A GLU 258.A N ARG 254.A O no hydrogen 3.038 N/A ALA 259.A N ARG 255.A O no hydrogen 3.157 N/A ALA 260.A N CYS 256.A O no hydrogen 2.844 N/A GLY 261.A N ALA 257.A O no hydrogen 2.835 N/A GLY 264.A N ALA 260.A O no hydrogen 2.864 N/A VAL 265.A N GLY 233.A O no hydrogen 2.807 N/A VAL 266.A N MET 322.A O no hydrogen 2.863 N/A LEU 267.A N TYR 235.A O no hydrogen 2.825 N/A VAL 268.A N VAL 320.A O no hydrogen 2.854 N/A ILE 269.A N LEU 237.A O no hydrogen 2.867 N/A GLU 270.A N SER 318.A O no hydrogen 3.124 N/A ALA 273.A N ARG 292.A O no hydrogen 2.609 N/A ASP 280.A N GLY 276.A O no hydrogen 2.984 N/A LEU 281.A N THR 277.A O no hydrogen 3.050 N/A ARG 282.A N GLY 278.A O no hydrogen 3.142 N/A ARG 282.A NE ASP 103.A OD2 no hydrogen 3.014 N/A ARG 282.A NH2 ASP 103.A OD1 no hydrogen 3.148 N/A MET 283.A N MET 279.A O no hydrogen 2.772 N/A LEU 284.A N ASP 280.A O no hydrogen 2.980 N/A THR 285.A N LEU 281.A O no hydrogen 2.824 N/A THR 285.A OG1 LEU 281.A O no hydrogen 3.218 N/A THR 285.A OG1 ARG 282.A O no hydrogen 2.890 N/A TYR 286.A N ARG 282.A O no hydrogen 2.852 N/A TYR 286.A OH ASP 103.A OD2 no hydrogen 2.693 N/A PHE 287.A N MET 283.A O no hydrogen 3.010 N/A GLY 288.A N MET 283.A O no hydrogen 3.024 N/A GLY 288.A N LEU 284.A O no hydrogen 2.902 N/A GLY 289.A N MET 283.A O no hydrogen 2.986 N/A LYS 290.A N HIS 242.A O no hydrogen 2.768 N/A LYS 290.A NZ GLU 296.A OE2 no hydrogen 3.329 N/A GLU 291.A N ASP 280.A OD1 no hydrogen 3.221 N/A ARG 292.A NE ASP 246.A OD1 no hydrogen 3.204 N/A ARG 292.A NH1 LEU 241.A O no hydrogen 3.009 N/A ARG 292.A NH1 TRP 244.A O no hydrogen 3.488 N/A ARG 292.A NH2 TRP 244.A O no hydrogen 2.839 N/A ARG 292.A NH2 ASP 246.A OD1 no hydrogen 2.918 N/A SER 293.A N GLU 296.A OE1 no hydrogen 2.767 N/A GLU 296.A N SER 293.A OG no hydrogen 2.914 N/A LEU 297.A N SER 293.A O no hydrogen 2.927 N/A GLY 298.A N LEU 294.A O no hydrogen 2.867 N/A GLU 299.A N ALA 295.A O no hydrogen 2.939 N/A LEU 300.A N GLU 296.A O no hydrogen 2.989 N/A ALA 301.A N LEU 297.A O no hydrogen 2.815 N/A ALA 302.A N GLY 298.A O no hydrogen 2.969 N/A GLN 303.A N GLU 299.A O no hydrogen 3.373 N/A GLN 303.A NE2 GLU 299.A O no hydrogen 3.185 N/A ALA 304.A N ALA 301.A O no hydrogen 2.926 N/A GLY 305.A N ALA 302.A O no hydrogen 2.883 N/A LEU 306.A N ALA 301.A O no hydrogen 2.792 N/A ALA 307.A N THR 323.A O no hydrogen 2.978 N/A ARG 309.A N GLU 321.A O no hydrogen 2.769 N/A ARG 309.A NE THR 323.A OG1 no hydrogen 2.695 N/A ARG 309.A NH2 THR 323.A OG1 no hydrogen 3.409 N/A ARG 309.A NH2 ALA 324.A O no hydrogen 2.852 N/A HIS 312.A N ILE 319.A O no hydrogen 2.626 N/A ILE 314.A N VAL 317.A O no hydrogen 3.024 N/A SER 315.A N VAL 317.A O no hydrogen 3.264 N/A SER 315.A OG ASP 153.A O no hydrogen 2.931 N/A VAL 317.A N SER 315.A OG no hydrogen 3.350 N/A SER 318.A N GLU 270.A O no hydrogen 3.133 N/A ILE 319.A N HIS 312.A O no hydrogen 2.630 N/A VAL 320.A N VAL 268.A O no hydrogen 2.681 N/A GLU 321.A N ALA 310.A O no hydrogen 2.817 N/A MET 322.A N VAL 266.A O no hydrogen 2.773 N/A THR 323.A N ALA 307.A O no hydrogen 3.029 N/A LEU 325.A N GLY 305.A O no hydrogen 2.772 N/A