Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ast_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N GLN 4.A OE1 no hydrogen 3.338 N/A THR 1.A OG1 GLN 4.A OE1 no hydrogen 3.074 N/A GLN 4.A N THR 1.A OG1 no hydrogen 3.330 N/A LYS 5.A N THR 1.A O no hydrogen 3.179 N/A THR 6.A N GLU 3.A O no hydrogen 3.337 N/A THR 6.A OG1 ILE 2.A O no hydrogen 2.671 N/A THR 6.A OG1 GLU 3.A O no hydrogen 3.495 N/A ARG 7.A NE GLU 3.A OE2 no hydrogen 3.081 N/A ARG 7.A NH1 GLU 240.A O no hydrogen 2.752 N/A ARG 7.A NH2 GLU 3.A OE1 no hydrogen 2.746 N/A THR 10.A OG1 HIS 236.A NE2 no hydrogen 2.766 N/A LEU 16.A N GLY 291.A O no hydrogen 2.932 N/A GLN 17.A N LEU 289.A O no hydrogen 2.915 N/A THR 18.A N PRO 15.A O no hydrogen 2.978 N/A LEU 19.A N LEU 16.A O no hydrogen 2.920 N/A SER 20.A N GLU 232.A OE1 no hydrogen 2.800 N/A SER 20.A OG GLU 232.A OE2 no hydrogen 2.744 N/A ASN 21.A N SER 26.A O no hydrogen 2.746 N/A ASN 21.A ND2 SER 211.A OG no hydrogen 3.089 N/A ASN 21.A ND2 VAL 225.A O no hydrogen 3.121 N/A SER 22.A OG LEU 229.A O no hydrogen 2.652 N/A ARG 23.A N ASN 21.A OD1 no hydrogen 2.841 N/A ARG 23.A NE ASP 102.A OD1 no hydrogen 2.759 N/A ARG 23.A NE ASP 102.A OD2 no hydrogen 3.343 N/A ARG 23.A NH1 LEU 177.A O no hydrogen 2.825 N/A ARG 23.A NH1 PRO 226.A O no hydrogen 2.936 N/A ARG 23.A NH2 ASP 102.A O no hydrogen 3.048 N/A ARG 23.A NH2 ASP 102.A OD1 no hydrogen 3.291 N/A ARG 23.A NH2 LEU 177.A O no hydrogen 3.319 N/A SER 26.A OG LEU 27.A O no hydrogen 3.169 N/A ILE 28.A N LEU 19.A O no hydrogen 2.828 N/A GLN 29.A N VAL 210.A O no hydrogen 2.819 N/A ILE 32.A N TYR 208.A O no hydrogen 2.821 N/A SER 34.A OG ASP 36.A O no hydrogen 2.715 N/A SER 38.A N ASP 36.A OD1 no hydrogen 2.901 N/A SER 38.A OG ASP 36.A OD1 no hydrogen 2.695 N/A SER 38.A OG ASP 36.A OD2 no hydrogen 3.129 N/A GLN 39.A N ASP 36.A O no hydrogen 3.084 N/A GLN 39.A NE2 VAL 40.A O no hydrogen 2.999 N/A VAL 41.A N VAL 197.A O no hydrogen 3.132 N/A GLN 42.A NE2 ALA 194.A O no hydrogen 3.055 N/A GLN 44.A N ASP 102.A OD2 no hydrogen 2.829 N/A GLN 44.A NE2 GLN 42.A O no hydrogen 2.947 N/A GLN 44.A NE2 ALA 194.A O no hydrogen 3.191 N/A ASN 45.A N ASP 102.A OD2 no hydrogen 3.066 N/A ASN 45.A ND2 PHE 100.A O no hydrogen 2.832 N/A ARG 47.A N THR 58.A OG1 no hydrogen 2.838 N/A ARG 47.A NH1 PHE 43.A O no hydrogen 2.844 N/A ARG 47.A NH1 PRO 195.A O no hydrogen 2.884 N/A ARG 47.A NH2 PRO 195.A O no hydrogen 2.814 N/A CYS 48.A SG LEU 49.A O no hydrogen 3.353 N/A CYS 48.A SG GLN 53.A O no hydrogen 3.640 N/A LEU 49.A N GLN 53.A O no hydrogen 2.854 N/A ILE 50.A N PRO 269.A O no hydrogen 3.021 N/A GLY 52.A N LEU 49.A O no hydrogen 2.865 N/A GLN 53.A NE2 LEU 54.A O no hydrogen 3.063 N/A LEU 55.A N ARG 47.A O no hydrogen 2.964 N/A THR 57.A N GLN 44.A O no hydrogen 2.926 N/A THR 57.A OG1 GLN 44.A O no hydrogen 3.306 N/A THR 57.A OG1 ASN 45.A OD1 no hydrogen 2.727 N/A THR 58.A N LEU 55.A O no hydrogen 3.082 N/A THR 58.A OG1 GLN 44.A O no hydrogen 2.997 N/A THR 58.A OG1 ARG 47.A O no hydrogen 3.229 N/A THR 58.A OG1 LEU 55.A O no hydrogen 2.960 N/A LEU 65.A N SER 62.A O no hydrogen 3.209 N/A PHE 66.A N GLY 99.A O no hydrogen 2.730 N/A ARG 67.A NH1 LEU 65.A O no hydrogen 2.823 N/A VAL 68.A N GLY 159.A O no hydrogen 2.910 N/A ARG 69.A NE ASP 156.A OD1 no hydrogen 2.985 N/A ARG 69.A NE ASP 156.A OD2 no hydrogen 3.326 N/A ARG 69.A NH1 VAL 84.A O no hydrogen 2.956 N/A ARG 69.A NH2 ASP 156.A OD2 no hydrogen 2.730 N/A GLY 70.A N TYR 157.A O no hydrogen 3.021 N/A LYS 71.A N ASN 80.A O no hydrogen 2.875 N/A ILE 72.A N GLY 155.A O no hydrogen 3.076 N/A GLN 74.A N THR 154.A OG1 no hydrogen 2.873 N/A GLY 75.A N PHE 150.A O no hydrogen 2.813 N/A ALA 76.A N ASN 73.A O no hydrogen 3.046 N/A ARG 77.A NE PHE 146.A O no hydrogen 2.861 N/A ARG 77.A NH2 PHE 146.A O no hydrogen 3.203 N/A LEU 79.A N ILE 144.A O no hydrogen 2.849 N/A ASN 80.A N LYS 71.A O no hydrogen 2.855 N/A LEU 81.A N GLY 142.A O no hydrogen 2.791 N/A THR 82.A N ARG 69.A O no hydrogen 2.929 N/A THR 82.A OG1 GLU 83.A O no hydrogen 2.956 N/A GLU 83.A N LYS 87.A O no hydrogen 2.874 N/A GLY 86.A N GLU 83.A O no hydrogen 2.919 N/A LYS 87.A N ASP 85.A OD1 no hydrogen 3.094 N/A LYS 87.A NZ ASP 85.A OD2 no hydrogen 3.452 N/A VAL 98.A N GLU 83.A OE1 no hydrogen 2.983 N/A GLY 99.A N THR 57.A O no hydrogen 2.803 N/A PHE 100.A N PRO 97.A O no hydrogen 3.050 N/A GLY 104.A N GLU 179.A O no hydrogen 2.993 N/A LYS 105.A NZ GLU 179.A OE1 no hydrogen 3.162 N/A CYS 106.A SG PHE 103.A O no hydrogen 3.742 N/A CYS 106.A SG GLY 104.A O no hydrogen 3.534 N/A ASP 107.A N SER 165.A O no hydrogen 2.870 N/A TRP 108.A N VAL 130.A O no hydrogen 2.822 N/A TRP 108.A NE1 PHE 103.A O no hydrogen 3.009 N/A HIS 109.A N TRP 163.A O no hydrogen 2.977 N/A MET 110.A N VAL 128.A O no hydrogen 2.779 N/A ARG 111.A N THR 160.A O no hydrogen 3.053 N/A ARG 111.A NH1 SER 127.A OG no hydrogen 2.756 N/A ILE 112.A N ARG 126.A O no hydrogen 2.906 N/A SER 113.A N ILE 158.A O no hydrogen 2.941 N/A THR 115.A N ASP 156.A O no hydrogen 2.775 N/A ASN 117.A ND2 THR 119.A O no hydrogen 3.052 N/A THR 119.A N ASN 117.A OD1 no hydrogen 3.098 N/A THR 119.A OG1 ASN 117.A OD1 no hydrogen 2.564 N/A MET 125.A N ASP 123.A OD1 no hydrogen 2.868 N/A ARG 126.A N ILE 112.A O no hydrogen 2.813 N/A ARG 126.A NH1 ASP 123.A O no hydrogen 2.813 N/A ARG 126.A NH1 MET 125.A O no hydrogen 2.941 N/A ARG 126.A NH2 ASP 123.A O no hydrogen 3.526 N/A VAL 128.A N MET 110.A O no hydrogen 3.123 N/A VAL 130.A N TRP 108.A O no hydrogen 2.837 N/A THR 132.A OG1 CYS 106.A O no hydrogen 3.520 N/A ASN 133.A ND2 THR 169.A O no hydrogen 2.636 N/A PHE 137.A N VAL 134.A O no hydrogen 3.169 N/A VAL 138.A N SER 143.A O no hydrogen 3.015 N/A HIS 140.A N TYR 183.A O no hydrogen 3.077 N/A HIS 140.A ND1 SER 94.A O no hydrogen 2.920 N/A LEU 141.A N VAL 138.A O no hydrogen 2.833 N/A GLY 142.A N PRO 139.A O no hydrogen 2.938 N/A SER 143.A N VAL 138.A O no hydrogen 3.239 N/A ILE 144.A N LEU 79.A O no hydrogen 3.096 N/A PHE 146.A N ARG 77.A O no hydrogen 2.775 N/A ASP 147.A N SER 129.A O no hydrogen 2.883 N/A PHE 150.A N ALA 76.A O no hydrogen 2.899 N/A GLY 155.A N ILE 72.A O no hydrogen 3.112 N/A TYR 157.A N GLY 70.A O no hydrogen 2.832 N/A TYR 157.A OH PRO 153.A O no hydrogen 2.644 N/A ILE 158.A N SER 113.A O no hydrogen 3.001 N/A GLY 159.A N VAL 68.A O no hydrogen 2.956 N/A THR 160.A N ARG 111.A O no hydrogen 3.169 N/A THR 160.A OG1 PHE 66.A O no hydrogen 2.641 N/A THR 160.A OG1 ILE 161.A O no hydrogen 3.538 N/A GLU 162.A N HIS 109.A O no hydrogen 2.786 N/A TRP 163.A N HIS 109.A O no hydrogen 3.276 N/A ILE 164.A N PRO 214.A O no hydrogen 3.065 N/A SER 165.A N ASP 107.A O no hydrogen 3.247 N/A ASN 166.A ND2 ASP 174.A OD1 no hydrogen 2.650 N/A SER 168.A N ASP 107.A OD1 no hydrogen 3.117 N/A SER 168.A OG ASP 107.A OD2 no hydrogen 2.640 N/A THR 173.A OG1 PRO 170.A O no hydrogen 2.731 N/A ASN 176.A N LYS 105.A O no hydrogen 3.272 N/A TRP 178.A N ASN 176.A OD1 no hydrogen 3.175 N/A GLU 179.A N ASN 176.A O no hydrogen 3.232 N/A GLY 184.A N ASP 182.A OD1 no hydrogen 3.262 N/A SER 185.A N SER 188.A O no hydrogen 2.754 N/A SER 186.A N SER 185.A OG no hydrogen 2.697 N/A ALA 194.A N GLN 44.A OE1 no hydrogen 2.792 N/A VAL 197.A N VAL 41.A O no hydrogen 2.742 N/A GLU 204.A N GLY 201.A O no hydrogen 3.002 N/A ALA 205.A N CYS 275.A O no hydrogen 2.831 N/A VAL 207.A N LEU 273.A O no hydrogen 2.932 N/A TYR 208.A N ILE 32.A O no hydrogen 2.868 N/A PHE 209.A N CYS 227.A O no hydrogen 2.902 N/A VAL 210.A N GLY 30.A O no hydrogen 2.928 N/A SER 211.A N VAL 225.A O no hydrogen 3.290 N/A SER 211.A OG LEU 27.A O no hydrogen 2.752 N/A ALA 212.A N GLN 29.A OE1 no hydrogen 2.712 N/A PHE 213.A N ASN 223.A O no hydrogen 2.809 N/A ASN 217.A ND2 ALA 221.A O no hydrogen 2.703 N/A ASN 218.A N ASP 174.A OD1 no hydrogen 3.436 N/A ARG 219.A N ASN 217.A OD1 no hydrogen 3.047 N/A SER 220.A N ASN 217.A O no hydrogen 3.030 N/A ALA 221.A N ASN 217.A OD1 no hydrogen 3.136 N/A VAL 225.A N SER 211.A O no hydrogen 2.839 N/A CYS 227.A N PHE 209.A O no hydrogen 2.830 N/A CYS 227.A SG SER 22.A OG no hydrogen 3.389 N/A CYS 227.A SG PHE 209.A O no hydrogen 3.656 N/A CYS 227.A SG LEU 229.A O no hydrogen 3.530 N/A GLN 231.A N SER 20.A O no hydrogen 2.921 N/A GLN 231.A NE2 PRO 59.A O no hydrogen 3.201 N/A GLU 232.A N GLU 232.A OE1 no hydrogen 2.770 N/A TYR 233.A N PRO 230.A O no hydrogen 3.040 N/A ILE 234.A N PRO 230.A O no hydrogen 3.388 N/A THR 235.A N GLN 231.A O no hydrogen 2.981 N/A THR 235.A OG1 ALA 60.A O no hydrogen 2.691 N/A THR 235.A OG1 GLN 231.A O no hydrogen 3.230 N/A HIS 236.A N GLU 232.A O no hydrogen 2.948 N/A HIS 236.A NE2 THR 10.A OG1 no hydrogen 2.766 N/A PHE 237.A N TYR 233.A O no hydrogen 2.873 N/A VAL 238.A N ILE 234.A O no hydrogen 2.912 N/A SER 239.A N THR 235.A O no hydrogen 2.969 N/A GLU 240.A N HIS 236.A O no hydrogen 2.825 N/A GLN 241.A N PHE 237.A O no hydrogen 2.847 N/A ALA 248.A N VAL 299.A O no hydrogen 3.044 N/A ALA 249.A N LEU 267.A O no hydrogen 2.809 N/A LEU 250.A N SER 297.A O no hydrogen 2.820 N/A LEU 251.A N PHE 265.A O no hydrogen 2.821 N/A HIS 252.A N LEU 294.A O no hydrogen 2.919 N/A HIS 252.A NE2 GLU 264.A OE2 no hydrogen 2.789 N/A TYR 253.A N GLY 263.A O no hydrogen 2.863 N/A TYR 253.A OH PRO 288.A O no hydrogen 2.658 N/A VAL 254.A N VAL 292.A O no hydrogen 2.834 N/A ASP 255.A N ARG 260.A O no hydrogen 2.969 N/A ASP 257.A N ASP 255.A OD1 no hydrogen 2.842 N/A ASN 259.A N ASP 255.A O no hydrogen 2.776 N/A ARG 260.A N THR 258.A OG1 no hydrogen 3.260 N/A LEU 262.A N TYR 253.A O no hydrogen 2.754 N/A GLY 263.A N ASN 261.A OD1 no hydrogen 3.027 N/A PHE 265.A N LEU 251.A O no hydrogen 2.939 N/A LYS 266.A N THR 274.A O no hydrogen 3.003 N/A LYS 266.A NZ GLU 204.A OE2 no hydrogen 2.775 N/A LYS 266.A NZ TYR 268.A OH no hydrogen 3.054 N/A LYS 266.A NZ ARG 301.A O no hydrogen 2.779 N/A LYS 266.A NZ TYR 303.A O no hydrogen 2.812 N/A LEU 267.A N ALA 249.A O no hydrogen 2.795 N/A TYR 268.A N TYR 272.A O no hydrogen 2.887 N/A TYR 268.A OH GLU 204.A OE1 no hydrogen 2.750 N/A GLY 271.A N TYR 268.A O no hydrogen 2.896 N/A THR 274.A N LYS 266.A O no hydrogen 2.867 N/A THR 274.A OG1 GLU 204.A OE1 no hydrogen 2.789 N/A CYS 275.A N ALA 205.A O no hydrogen 3.013 N/A ASN 278.A N VAL 308.A O no hydrogen 2.953 N/A ASN 278.A ND2 GLY 309.A O no hydrogen 3.110 N/A ALA 282.A N GLY 279.A O no hydrogen 3.189 N/A GLY 283.A N GLN 286.A OE1 no hydrogen 3.231 N/A GLN 285.A N GLN 285.A OE1 no hydrogen 2.850 N/A GLN 285.A NE2 GLY 281.A O no hydrogen 2.998 N/A GLN 286.A N GLY 283.A O no hydrogen 3.185 N/A GLN 286.A NE2 THR 310.A O no hydrogen 2.735 N/A LEU 287.A N PRO 284.A O no hydrogen 3.113 N/A GLY 291.A N TYR 253.A OH no hydrogen 3.124 N/A VAL 292.A N VAL 254.A O no hydrogen 2.967 N/A LEU 294.A N HIS 252.A O no hydrogen 2.779 N/A VAL 296.A N LEU 250.A O no hydrogen 2.859 N/A SER 297.A OG TRP 298.A O no hydrogen 2.778 N/A VAL 299.A N ALA 248.A O no hydrogen 2.821 N/A ARG 301.A N ASP 247.A OD2 no hydrogen 3.084 N/A PHE 302.A N SER 300.A OG no hydrogen 2.986 N/A TYR 303.A N SER 300.A O no hydrogen 3.048 N/A LYS 306.A N GLU 264.A OE1 no hydrogen 2.965 N/A VAL 308.A N VAL 276.A O no hydrogen 2.750 N/A THR 310.A N GLN 286.A OE1 no hydrogen 2.768 N/A