Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7crn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 VAL 168.A O no hydrogen 2.880 N/A LEU 8.A N GLY 47.A O no hydrogen 2.688 N/A ARG 11.A N LEU 45.A O no hydrogen 2.926 N/A ARG 11.A NE ARG 43.A O no hydrogen 2.994 N/A ARG 11.A NH2 ARG 43.A O no hydrogen 2.801 N/A LYS 16.A N ASP 42.A O no hydrogen 3.390 N/A LEU 19.A N PRO 44.A O no hydrogen 2.971 N/A PHE 20.A N HIS 85.A O no hydrogen 2.897 N/A CYS 21.A N TYR 46.A O no hydrogen 2.884 N/A VAL 22.A N LEU 87.A O no hydrogen 2.883 N/A HIS 23.A N LEU 48.A O no hydrogen 3.117 N/A HIS 23.A ND1 PRO 24.A O no hydrogen 2.629 N/A HIS 23.A NE2 TYR 71.A OH no hydrogen 2.581 N/A GLY 27.A N PRO 24.A O no hydrogen 3.123 N/A SER 29.A N GLN 49.A OE1 no hydrogen 2.912 N/A SER 29.A OG CYS 21.A O no hydrogen 3.527 N/A SER 29.A OG LEU 48.A O no hydrogen 2.540 N/A TRP 30.A NE1 THR 3.A O no hydrogen 2.989 N/A TYR 32.A N SER 29.A O no hydrogen 3.260 N/A TYR 32.A OH VAL 22.A O no hydrogen 2.506 N/A SER 33.A N TRP 30.A O no hydrogen 2.942 N/A SER 33.A OG TRP 30.A O no hydrogen 2.893 N/A GLY 34.A N VAL 31.A O no hydrogen 3.045 N/A LEU 35.A N TYR 32.A O no hydrogen 2.911 N/A MET 36.A N SER 33.A O no hydrogen 3.296 N/A HIS 38.A N LEU 35.A O no hydrogen 2.881 N/A ILE 39.A N LEU 35.A O no hydrogen 3.021 N/A ASP 42.A N ASP 42.A OD1 no hydrogen 2.410 N/A ARG 43.A N GLY 40.A O no hydrogen 2.881 N/A ARG 43.A NH1 ALA 17.A O no hydrogen 2.885 N/A LEU 45.A N ARG 11.A O no hydrogen 2.861 N/A TYR 46.A N LEU 19.A O no hydrogen 2.939 N/A GLY 47.A N LEU 8.A O no hydrogen 2.735 N/A LEU 48.A N CYS 21.A O no hydrogen 2.859 N/A GLN 49.A N VAL 6.A O no hydrogen 2.723 N/A GLN 49.A NE2 THR 3.A O no hydrogen 2.867 N/A GLN 49.A NE2 ASP 5.A O no hydrogen 2.879 N/A ALA 50.A N GLY 27.A O no hydrogen 3.034 N/A ARG 51.A NE ASP 70.A OD2 no hydrogen 2.793 N/A ARG 51.A NH2 ASP 70.A OD1 no hydrogen 2.971 N/A SER 57.A N ASP 55.A OD1 no hydrogen 3.075 N/A SER 57.A OG ASP 55.A OD1 no hydrogen 2.597 N/A SER 57.A OG ASP 55.A OD2 no hydrogen 3.247 N/A ALA 58.A N ASP 55.A O no hydrogen 3.006 N/A SER 62.A N GLU 66.A OE1 no hydrogen 3.178 N/A SER 62.A OG GLU 66.A OE1 no hydrogen 3.176 N/A SER 63.A OG GLU 65.A OE1 no hydrogen 3.548 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.744 N/A GLU 66.A N SER 63.A OG no hydrogen 3.157 N/A MET 67.A N SER 63.A O no hydrogen 3.149 N/A ALA 68.A N ILE 64.A O no hydrogen 2.856 N/A ALA 69.A N GLU 65.A O no hydrogen 2.909 N/A ASP 70.A N GLU 66.A O no hydrogen 3.008 N/A TYR 71.A N MET 67.A O no hydrogen 2.969 N/A TYR 71.A OH HIS 23.A NE2 no hydrogen 2.581 N/A TYR 71.A OH GLN 49.A O no hydrogen 3.262 N/A VAL 72.A N ALA 68.A O no hydrogen 2.831 N/A THR 73.A N ALA 69.A O no hydrogen 2.990 N/A THR 73.A OG1 ALA 69.A O no hydrogen 3.045 N/A GLN 74.A N ASP 70.A O no hydrogen 3.066 N/A ILE 75.A N TYR 71.A O no hydrogen 2.917 N/A ARG 76.A N VAL 72.A O no hydrogen 2.901 N/A ARG 76.A NH1 TYR 84.A OH no hydrogen 3.420 N/A GLY 77.A N THR 73.A O no hydrogen 3.059 N/A VAL 78.A N ILE 75.A O no hydrogen 2.955 N/A GLN 79.A N ILE 75.A O no hydrogen 2.851 N/A GLY 82.A N SER 81.A OG no hydrogen 2.623 N/A TYR 84.A N GLU 109.A O no hydrogen 3.103 N/A TYR 84.A OH GLN 79.A O no hydrogen 2.365 N/A LEU 86.A N LEU 112.A O no hydrogen 2.800 N/A LEU 87.A N PHE 20.A O no hydrogen 2.855 N/A GLY 88.A N VAL 114.A O no hydrogen 2.772 N/A LEU 91.A N SER 90.A OG no hydrogen 2.626 N/A GLY 92.A N TRP 89.A O no hydrogen 3.001 N/A SER 93.A N SER 90.A O no hydrogen 2.954 N/A SER 93.A OG ASN 115.A OD1 no hydrogen 2.694 N/A VAL 95.A N LEU 91.A O no hydrogen 2.923 N/A ILE 96.A N GLY 92.A O no hydrogen 2.653 N/A HIS 97.A N SER 93.A O no hydrogen 2.930 N/A HIS 97.A NE2 GLN 197.A O no hydrogen 2.746 N/A ALA 98.A N LEU 94.A O no hydrogen 3.036 N/A MET 99.A N VAL 95.A O no hydrogen 2.725 N/A ALA 100.A N ILE 96.A O no hydrogen 2.686 N/A THR 101.A N HIS 97.A O no hydrogen 2.964 N/A THR 101.A OG1 HIS 97.A O no hydrogen 3.264 N/A THR 101.A OG1 ALA 98.A O no hydrogen 2.694 N/A GLN 102.A N ALA 98.A O no hydrogen 2.894 N/A GLN 102.A NE2 GLU 65.A O no hydrogen 2.990 N/A LEU 103.A N MET 99.A O no hydrogen 2.704 N/A ARG 104.A N ALA 100.A O no hydrogen 2.740 N/A ARG 104.A NE ASP 200.A OD1 no hydrogen 3.215 N/A ARG 104.A NH1 GLU 108.A O no hydrogen 3.281 N/A ARG 104.A NH2 ASP 200.A OD1 no hydrogen 2.616 N/A ARG 104.A NH2 ASP 200.A OD2 no hydrogen 3.304 N/A ALA 105.A N THR 101.A O no hydrogen 2.727 N/A GLU 106.A N GLN 102.A O no hydrogen 3.011 N/A GLU 106.A N LEU 103.A O no hydrogen 3.277 N/A GLY 107.A N ARG 104.A O no hydrogen 3.154 N/A GLU 108.A N LEU 103.A O no hydrogen 2.854 N/A GLY 111.A N TYR 84.A O no hydrogen 2.851 N/A LEU 112.A N HIS 85.A ND1 no hydrogen 3.019 N/A VAL 114.A N LEU 86.A O no hydrogen 2.914 N/A ASN 115.A N LEU 204.A O no hydrogen 2.855 N/A ASN 115.A ND2 GLN 118.A O no hydrogen 2.802 N/A LEU 116.A N GLY 88.A O no hydrogen 2.889 N/A ASP 117.A N ASN 115.A O no hydrogen 3.208 N/A GLN 118.A N ASN 115.A OD1 no hydrogen 3.057 N/A GLN 118.A NE2 TYR 119.A O no hydrogen 3.009 N/A GLN 118.A NE2 SER 130.A O no hydrogen 2.966 N/A TYR 119.A OH ASP 117.A OD1 no hydrogen 2.712 N/A SER 124.A N ASP 122.A OD1 no hydrogen 3.374 N/A SER 124.A OG ASP 122.A OD1 no hydrogen 3.061 N/A ARG 125.A N ASP 122.A O no hydrogen 3.066 N/A ARG 125.A NH1 ASP 122.A OD2 no hydrogen 3.359 N/A SER 130.A N ALA 127.A O no hydrogen 3.253 N/A GLN 131.A N PRO 128.A O no hydrogen 2.965 N/A GLN 131.A NE2 ALA 127.A O no hydrogen 3.003 N/A GLN 135.A NE2 LEU 153.A O no hydrogen 2.974 N/A ASP 136.A N ASP 133.A OD2 no hydrogen 3.022 N/A ALA 137.A N ASP 133.A O no hydrogen 3.047 N/A LEU 138.A N GLN 134.A O no hydrogen 2.994 N/A ARG 139.A N GLN 135.A O no hydrogen 2.890 N/A ILE 140.A N ASP 136.A O no hydrogen 2.884 N/A MET 141.A N ALA 137.A O no hydrogen 3.084 N/A LEU 142.A N LEU 138.A O no hydrogen 2.914 N/A ASP 143.A N ARG 139.A O no hydrogen 2.857 N/A PHE 144.A N ILE 140.A O no hydrogen 3.044 N/A VAL 145.A N LEU 142.A O no hydrogen 3.174 N/A GLY 146.A N ASP 143.A O no hydrogen 2.845 N/A TYR 147.A N LEU 142.A O no hydrogen 3.115 N/A SER 151.A OG ASP 148.A O no hydrogen 3.197 N/A LEU 153.A N GLN 135.A OE1 no hydrogen 2.652 N/A MET 157.A N ASP 154.A OD2 no hydrogen 3.094 N/A VAL 158.A N ASP 154.A O no hydrogen 3.249 N/A ALA 159.A N TYR 155.A O no hydrogen 2.887 N/A ASP 160.A N ALA 156.A O no hydrogen 2.977 N/A VAL 161.A N MET 157.A O no hydrogen 3.030 N/A LEU 162.A N VAL 158.A O no hydrogen 2.891 N/A ARG 163.A N ALA 159.A O no hydrogen 2.908 N/A ARG 163.A NH1 LEU 172.A O no hydrogen 2.423 N/A ARG 163.A NH2 ASP 160.A OD1 no hydrogen 2.415 N/A GLU 164.A N ASP 160.A O no hydrogen 2.925 N/A ARG 165.A N VAL 161.A O no hydrogen 2.893 N/A ARG 165.A NH1 VAL 145.A O no hydrogen 2.950 N/A ARG 165.A NH1 GLY 146.A O no hydrogen 3.340 N/A GLN 166.A N LEU 162.A O no hydrogen 3.111 N/A VAL 168.A N GLN 166.A OE1 no hydrogen 3.022 N/A PHE 169.A N GLN 166.A O no hydrogen 3.132 N/A ALA 170.A N SER 167.A O no hydrogen 3.241 N/A ALA 176.A N ASP 173.A OD1 no hydrogen 3.110 N/A ILE 177.A N ASP 173.A O no hydrogen 3.015 N/A THR 178.A N GLU 174.A O no hydrogen 2.946 N/A THR 178.A OG1 GLU 174.A O no hydrogen 3.025 N/A ALA 179.A N THR 175.A O no hydrogen 2.901 N/A LEU 180.A N ALA 176.A O no hydrogen 2.846 N/A ALA 181.A N ILE 177.A O no hydrogen 3.019 N/A ASN 182.A N THR 178.A O no hydrogen 2.867 N/A VAL 183.A N ALA 179.A O no hydrogen 2.883 N/A PHE 184.A N LEU 180.A O no hydrogen 2.920 N/A ALA 185.A N ALA 181.A O no hydrogen 2.915 N/A ASN 186.A N ASN 182.A O no hydrogen 2.936 N/A ASN 186.A ND2 PRO 61.A O no hydrogen 2.893 N/A SER 187.A N VAL 183.A O no hydrogen 2.919 N/A SER 187.A OG ALA 25.A O no hydrogen 3.532 N/A SER 187.A OG VAL 183.A O no hydrogen 2.813 N/A ARG 188.A N PHE 184.A O no hydrogen 2.920 N/A ARG 188.A NH1 GLN 131.A OE1 no hydrogen 3.221 N/A SER 189.A N ALA 185.A O no hydrogen 2.977 N/A SER 189.A OG ASN 186.A O no hydrogen 2.773 N/A LEU 190.A N SER 187.A O no hydrogen 2.963 N/A GLN 197.A NE2 ALA 195.A O no hydrogen 2.806 N/A LEU 199.A N PHE 229.A O no hydrogen 2.874 N/A SER 201.A OG ASP 202.A O no hydrogen 3.071 N/A VAL 203.A N LYS 233.A O no hydrogen 2.892 N/A LEU 204.A N LEU 113.A O no hydrogen 2.875 N/A VAL 205.A N GLU 235.A O no hydrogen 2.870 N/A ILE 206.A N ASN 115.A O no hydrogen 2.854 N/A VAL 207.A N GLN 237.A O no hydrogen 2.870 N/A ALA 208.A N ASP 117.A OD1 no hydrogen 3.127 N/A GLU 209.A N VAL 239.A O no hydrogen 3.137 N/A ASP 211.A N GLU 209.A OE1 no hydrogen 3.096 N/A THR 213.A N ASP 211.A OD1 no hydrogen 2.758 N/A THR 213.A OG1 ASP 211.A OD1 no hydrogen 2.631 N/A THR 213.A OG1 ASP 211.A OD2 no hydrogen 3.170 N/A VAL 214.A N ASP 211.A O no hydrogen 3.371 N/A GLU 218.A N PRO 215.A O no hydrogen 3.030 N/A LEU 219.A N PRO 215.A O no hydrogen 3.435 N/A ALA 220.A N ALA 216.A O no hydrogen 2.984 N/A ALA 221.A N ALA 217.A O no hydrogen 2.898 N/A ARG 222.A N GLU 218.A O no hydrogen 2.923 N/A ARG 222.A NH1 GLU 209.A OE2 no hydrogen 2.859 N/A ARG 222.A NH2 GLU 209.A OE2 no hydrogen 3.226 N/A ARG 222.A NH2 GLU 218.A OE2 no hydrogen 3.344 N/A VAL 223.A N LEU 219.A O no hydrogen 3.049 N/A GLU 224.A N ALA 220.A O no hydrogen 2.884 N/A GLN 225.A N ALA 221.A O no hydrogen 3.149 N/A GLN 225.A N ARG 222.A O no hydrogen 3.294 N/A GLN 225.A NE2 ARG 222.A O no hydrogen 2.983 N/A TRP 226.A N VAL 223.A O no hydrogen 3.049 N/A TRP 226.A NE1 GLN 118.A O no hydrogen 2.705 N/A ARG 227.A N GLU 224.A O no hydrogen 2.930 N/A ARG 227.A NE GLU 224.A OE2 no hydrogen 3.018 N/A ARG 227.A NH1 VAL 230.A O no hydrogen 3.330 N/A ARG 227.A NH1 GLY 232.A O no hydrogen 2.710 N/A ARG 227.A NH2 GLU 224.A OE1 no hydrogen 2.789 N/A PHE 229.A N TRP 226.A O no hydrogen 2.967 N/A VAL 230.A N ARG 227.A O no hydrogen 3.302 N/A THR 231.A N LEU 199.A O no hydrogen 2.859 N/A THR 231.A OG1 LEU 199.A O no hydrogen 3.082 N/A LYS 233.A N ASP 202.A OD1 no hydrogen 2.709 N/A GLU 235.A N VAL 203.A O no hydrogen 2.820 N/A GLN 237.A N VAL 205.A O no hydrogen 3.079 N/A GLN 237.A NE2 THR 238.A O no hydrogen 3.190 N/A VAL 239.A N VAL 207.A O no hydrogen 2.893 N/A ARG 240.A NH1 GLU 209.A O no hydrogen 2.980 N/A CYS 241.A SG SER 242.A O no hydrogen 3.513 N/A HIS 243.A ND1 ASP 117.A OD2 no hydrogen 2.970 N/A HIS 245.A N SER 242.A O no hydrogen 2.923 N/A HIS 245.A ND1 ASP 143.A OD2 no hydrogen 2.913 N/A GLN 248.A N HIS 245.A O no hydrogen 3.101 N/A GLN 248.A NE2 ASP 143.A OD1 no hydrogen 2.922 N/A ALA 252.A N GLN 248.A O no hydrogen 2.819 N/A ALA 253.A N PRO 249.A O no hydrogen 2.893 N/A GLU 254.A N GLU 250.A O no hydrogen 2.966 N/A ILE 255.A N PRO 251.A O no hydrogen 2.862 N/A GLY 256.A N ALA 252.A O no hydrogen 2.835 N/A ARG 257.A N ALA 253.A O no hydrogen 2.892 N/A LEU 258.A N GLU 254.A O no hydrogen 2.927 N/A ILE 259.A N ILE 255.A O no hydrogen 2.902 N/A ALA 260.A N GLY 256.A O no hydrogen 2.897 N/A GLU 261.A N ARG 257.A O no hydrogen 2.880 N/A LYS 262.A N LEU 258.A O no hydrogen 2.995 N/A LEU 263.A N ILE 259.A O no hydrogen 2.877 N/A