Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cra_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N ASN 1.A O no hydrogen 3.050 N/A LEU 6.A N GLN 2.A O no hydrogen 3.008 N/A LEU 7.A N ILE 3.A O no hydrogen 2.902 N/A THR 8.A N ASP 4.A O no hydrogen 3.165 N/A ILE 9.A N ARG 5.A O no hydrogen 2.740 N/A MET 10.A N LEU 6.A O no hydrogen 2.783 N/A GLN 11.A N LEU 7.A O no hydrogen 2.758 N/A ARG 12.A N THR 8.A O no hydrogen 2.452 N/A LEU 13.A N ILE 9.A O no hydrogen 2.675 N/A ARG 14.A N MET 10.A O no hydrogen 3.326 N/A ARG 14.A N GLN 11.A O no hydrogen 2.992 N/A ARG 14.A NE GLU 74.A OE1 no hydrogen 3.170 N/A ARG 14.A NE GLU 74.A OE2 no hydrogen 2.823 N/A ARG 14.A NH1 ASP 23.A O no hydrogen 2.793 N/A ARG 14.A NH1 GLN 26.A O no hydrogen 2.664 N/A ARG 14.A NH2 GLU 74.A OE1 no hydrogen 2.847 N/A ASP 15.A N GLN 11.A O no hydrogen 2.645 N/A GLY 19.A N ARG 12.A O no hydrogen 3.036 N/A CYS 20.A SG LEU 13.A O no hydrogen 3.844 N/A TRP 22.A N GLU 25.A OE2 no hydrogen 3.161 N/A GLU 25.A N TRP 22.A O no hydrogen 2.809 N/A GLN 26.A N ASP 23.A O no hydrogen 2.741 N/A GLN 26.A NE2 TRP 22.A O no hydrogen 3.546 N/A THR 27.A N THR 30.A OG1 no hydrogen 2.987 N/A THR 30.A N THR 27.A OG1 no hydrogen 3.111 N/A THR 30.A OG1 GLN 26.A OE1 no hydrogen 2.703 N/A THR 30.A OG1 THR 27.A O no hydrogen 3.304 N/A ILE 31.A N THR 27.A O no hydrogen 3.296 N/A ALA 32.A N PHE 28.A O no hydrogen 3.110 N/A THR 35.A N ILE 31.A O no hydrogen 3.144 N/A THR 35.A OG1 ILE 31.A O no hydrogen 3.516 N/A THR 35.A OG1 TYR 68.A OH no hydrogen 2.670 N/A LEU 36.A N ALA 32.A O no hydrogen 3.214 N/A GLU 37.A N PRO 33.A O no hydrogen 2.891 N/A GLU 38.A N TYR 34.A O no hydrogen 2.735 N/A THR 39.A N THR 35.A O no hydrogen 2.914 N/A THR 39.A OG1 THR 35.A O no hydrogen 3.207 N/A TYR 40.A N LEU 36.A O no hydrogen 3.335 N/A GLU 41.A N GLU 37.A O no hydrogen 3.333 N/A VAL 42.A N GLU 38.A O no hydrogen 2.967 N/A LEU 43.A N THR 39.A O no hydrogen 2.928 N/A ASP 44.A N TYR 40.A O no hydrogen 2.783 N/A ALA 45.A N GLU 41.A O no hydrogen 2.854 N/A ILE 46.A N VAL 42.A O no hydrogen 3.040 N/A ALA 47.A N LEU 43.A O no hydrogen 3.009 N/A ARG 48.A N ASP 44.A O no hydrogen 3.020 N/A ARG 48.A NE ASP 44.A OD1 no hydrogen 2.985 N/A ARG 48.A NE ASP 44.A OD2 no hydrogen 3.428 N/A ARG 48.A NH1 ASP 53.A OD1 no hydrogen 3.007 N/A ARG 48.A NH2 ASP 44.A OD1 no hydrogen 3.493 N/A ARG 48.A NH2 ASP 53.A OD1 no hydrogen 2.832 N/A GLU 49.A N ILE 46.A O no hydrogen 2.799 N/A ASP 50.A N ALA 45.A O no hydrogen 3.158 N/A ASP 53.A N ASP 50.A OD2 no hydrogen 3.289 N/A LEU 54.A N ASP 50.A O no hydrogen 3.074 N/A ARG 55.A N PHE 51.A O no hydrogen 3.003 N/A GLY 56.A N ASP 52.A O no hydrogen 3.378 N/A GLU 57.A N ASP 53.A O no hydrogen 2.910 N/A LEU 58.A N LEU 54.A O no hydrogen 2.771 N/A GLY 59.A N ARG 55.A O no hydrogen 3.310 N/A ASP 60.A N GLY 56.A O no hydrogen 3.031 N/A LEU 61.A N GLU 57.A O no hydrogen 3.008 N/A LEU 62.A N LEU 58.A O no hydrogen 2.880 N/A PHE 63.A N GLY 59.A O no hydrogen 2.783 N/A GLN 64.A N ASP 60.A O no hydrogen 3.266 N/A GLN 64.A NE2 THR 35.A OG1 no hydrogen 2.476 N/A VAL 65.A N LEU 61.A O no hydrogen 2.961 N/A VAL 66.A N LEU 62.A O no hydrogen 2.896 N/A PHE 67.A N PHE 63.A O no hydrogen 2.794 N/A TYR 68.A N GLN 64.A O no hydrogen 2.928 N/A TYR 68.A OH THR 35.A OG1 no hydrogen 2.670 N/A ALA 69.A N VAL 65.A O no hydrogen 3.053 N/A GLN 70.A N VAL 66.A O no hydrogen 2.964 N/A GLN 70.A NE2 GLU 74.A OE2 no hydrogen 3.097 N/A MET 71.A N PHE 67.A O no hydrogen 3.047 N/A ALA 72.A N TYR 68.A O no hydrogen 2.839 N/A GLN 73.A N ALA 69.A O no hydrogen 2.752 N/A GLU 74.A N GLN 70.A O no hydrogen 2.904 N/A GLU 75.A N ALA 72.A O no hydrogen 3.116 N/A GLY 76.A N GLN 73.A O no hydrogen 3.078 N/A ARG 77.A N ALA 72.A O no hydrogen 3.075 N/A ARG 77.A NE GLU 75.A OE1 no hydrogen 2.623 N/A ASP 79.A N ASP 82.A OD2 no hydrogen 3.070 N/A ASP 82.A N ASP 79.A OD2 no hydrogen 2.809 N/A ILE 83.A N ASP 79.A O no hydrogen 3.070 N/A CYS 84.A N PHE 80.A O no hydrogen 2.823 N/A CYS 84.A SG PHE 80.A O no hydrogen 3.349 N/A ALA 85.A N ASN 81.A O no hydrogen 2.557 N/A ALA 86.A N ASP 82.A O no hydrogen 2.942 N/A ILE 87.A N ILE 83.A O no hydrogen 3.181 N/A SER 88.A N CYS 84.A O no hydrogen 3.037 N/A SER 88.A OG CYS 84.A O no hydrogen 2.807 N/A ASP 89.A N ALA 85.A O no hydrogen 2.992 N/A LYS 90.A N ALA 86.A O no hydrogen 3.031 N/A LYS 90.A NZ ILE 101.A O no hydrogen 2.941 N/A LYS 90.A NZ GLU 104.A OE2 no hydrogen 2.961 N/A LEU 91.A N ILE 87.A O no hydrogen 2.808 N/A GLU 92.A N SER 88.A O no hydrogen 3.075 N/A ARG 93.A N ASP 89.A O no hydrogen 2.980 N/A ARG 93.A NH2 GLU 104.A OE2 no hydrogen 2.746 N/A ARG 94.A N LEU 91.A O no hydrogen 3.392 N/A ARG 94.A NE GLU 104.A OE1 no hydrogen 2.630 N/A LYS 102.A N TRP 98.A O no hydrogen 3.371 N/A LYS 102.A NZ GLU 105.A OE1 no hydrogen 3.162 N/A THR 103.A N GLU 99.A O no hydrogen 2.871 N/A THR 103.A OG1 GLU 99.A O no hydrogen 2.583 N/A GLU 104.A N GLN 100.A O no hydrogen 3.121 N/A GLU 105.A N ILE 101.A O no hydrogen 3.246 N/A ARG 106.A N LYS 102.A O no hydrogen 3.168 N/A ALA 107.A N THR 103.A O no hydrogen 3.036 N/A GLN 108.A N GLU 105.A O no hydrogen 3.458 N/A SER 113.A N ASP 116.A OD2 no hydrogen 2.936 N/A ASP 116.A N SER 113.A O no hydrogen 3.368 N/A ARG 127.A N PRO 123.A O no hydrogen 2.928 N/A ARG 127.A NH1 PRO 119.A O no hydrogen 2.935 N/A ALA 128.A N ALA 124.A O no hydrogen 2.884 N/A GLN 129.A N LEU 125.A O no hydrogen 3.140 N/A LYS 130.A N MET 126.A O no hydrogen 2.969 N/A ILE 131.A N ARG 127.A O no hydrogen 2.887 N/A GLN 132.A N ALA 128.A O no hydrogen 2.959 N/A GLN 132.A NE2 PHE 182.A O no hydrogen 3.048 N/A LYS 133.A N GLN 129.A O no hydrogen 2.925 N/A ARG 134.A N LYS 130.A O no hydrogen 2.896 N/A ARG 134.A NH1 ALA 114.A O no hydrogen 3.147 N/A ARG 134.A NH1 ASP 116.A O no hydrogen 2.743 N/A ARG 134.A NH2 ASP 117.A O no hydrogen 3.023 N/A CYS 135.A N ILE 131.A O no hydrogen 3.133 N/A CYS 135.A SG ILE 131.A O no hydrogen 3.372 N/A ALA 136.A N GLN 132.A O no hydrogen 2.817 N/A ASN 137.A N LYS 133.A O no hydrogen 2.701 N/A VAL 138.A N CYS 135.A O no hydrogen 3.187 N/A GLY 139.A N ALA 136.A O no hydrogen 2.606 N/A PHE 140.A N CYS 135.A O no hydrogen 2.858 N/A TRP 142.A N ASP 141.A OD1 no hydrogen 2.735 N/A VAL 149.A N LEU 145.A O no hydrogen 3.281 N/A ASP 150.A N GLY 146.A O no hydrogen 2.898 N/A LYS 151.A N PRO 147.A O no hydrogen 2.824 N/A LYS 151.A NZ GLU 155.A OE2 no hydrogen 3.510 N/A VAL 152.A N VAL 148.A O no hydrogen 3.328 N/A TYR 153.A N VAL 149.A O no hydrogen 3.236 N/A GLU 154.A N ASP 150.A O no hydrogen 2.922 N/A GLU 155.A N LYS 151.A O no hydrogen 3.078 N/A ILE 156.A N VAL 152.A O no hydrogen 2.869 N/A ASP 157.A N TYR 153.A O no hydrogen 3.161 N/A GLU 158.A N GLU 154.A O no hydrogen 3.034 N/A VAL 159.A N GLU 155.A O no hydrogen 2.893 N/A MET 160.A N ILE 156.A O no hydrogen 2.949 N/A TYR 161.A N ASP 157.A O no hydrogen 2.799 N/A GLU 162.A N GLU 158.A O no hydrogen 3.143 N/A ALA 163.A N VAL 159.A O no hydrogen 3.069 N/A ARG 164.A N MET 160.A O no hydrogen 2.970 N/A ARG 164.A N TYR 161.A O no hydrogen 3.193 N/A GLN 165.A N GLU 162.A O no hydrogen 3.263 N/A LYS 172.A N ASP 169.A OD2 no hydrogen 3.341 N/A LYS 172.A NZ GLU 175.A OE1 no hydrogen 3.102 N/A LYS 172.A NZ GLU 176.A OE1 no hydrogen 3.530 N/A LEU 173.A N ASP 169.A O no hydrogen 2.876 N/A GLU 174.A N GLN 170.A O no hydrogen 2.885 N/A GLU 175.A N ALA 171.A O no hydrogen 2.843 N/A GLU 176.A N LYS 172.A O no hydrogen 2.899 N/A MET 177.A N LEU 173.A O no hydrogen 2.863 N/A GLY 178.A N GLU 174.A O no hydrogen 2.925 N/A ASP 179.A N GLU 175.A O no hydrogen 2.990 N/A LEU 180.A N GLU 176.A O no hydrogen 2.785 N/A LEU 181.A N MET 177.A O no hydrogen 2.943 N/A PHE 182.A N GLY 178.A O no hydrogen 2.976 N/A ALA 183.A N ASP 179.A O no hydrogen 2.988 N/A THR 184.A N LEU 180.A O no hydrogen 2.906 N/A THR 184.A OG1 LEU 181.A O no hydrogen 2.822 N/A VAL 185.A N LEU 181.A O no hydrogen 3.067 N/A ASN 186.A N PHE 182.A O no hydrogen 3.024 N/A LEU 187.A N ALA 183.A O no hydrogen 3.143 N/A ALA 188.A N THR 184.A O no hydrogen 2.965 N/A ARG 189.A N VAL 185.A O no hydrogen 2.840 N/A ARG 189.A NE GLN 132.A OE1 no hydrogen 2.905 N/A ARG 189.A NH1 ASP 141.A OD2 no hydrogen 2.917 N/A ARG 189.A NH2 ASP 141.A OD1 no hydrogen 3.015 N/A ARG 189.A NH2 ASP 141.A OD2 no hydrogen 3.508 N/A HIS 190.A N ASN 186.A O no hydrogen 2.870 N/A HIS 190.A NE2 ASP 141.A OD1 no hydrogen 2.718 N/A LEU 191.A N LEU 187.A O no hydrogen 2.830 N/A GLY 192.A N ARG 189.A O no hydrogen 3.058 N/A THR 193.A N ALA 188.A O no hydrogen 2.954 N/A THR 193.A OG1 ALA 188.A O no hydrogen 2.797 N/A ALA 198.A N LYS 194.A O no hydrogen 2.834 N/A LEU 199.A N ALA 195.A O no hydrogen 3.001 N/A GLN 200.A N GLU 196.A O no hydrogen 2.833 N/A LYS 201.A N ILE 197.A O no hydrogen 2.975 N/A ALA 202.A N ALA 198.A O no hydrogen 3.093 N/A ASN 203.A N LEU 199.A O no hydrogen 2.877 N/A GLU 204.A N GLN 200.A O no hydrogen 3.053 N/A LYS 205.A N LYS 201.A O no hydrogen 2.929 N/A PHE 206.A N ALA 202.A O no hydrogen 2.967 N/A GLU 207.A N ASN 203.A O no hydrogen 2.923 N/A ARG 208.A N GLU 204.A O no hydrogen 2.896 N/A ARG 208.A NH1 GLU 239.A OE2 no hydrogen 3.260 N/A ARG 209.A N LYS 205.A O no hydrogen 3.008 N/A ARG 209.A NE GLU 239.A OE1 no hydrogen 2.464 N/A ARG 209.A NH2 GLU 239.A OE1 no hydrogen 3.025 N/A PHE 210.A N PHE 206.A O no hydrogen 2.794 N/A ARG 211.A N GLU 207.A O no hydrogen 2.924 N/A ARG 211.A NH1 GLU 207.A OE2 no hydrogen 2.552 N/A GLU 212.A N ARG 208.A O no hydrogen 3.087 N/A VAL 213.A N ARG 209.A O no hydrogen 3.013 N/A GLU 214.A N PHE 210.A O no hydrogen 2.904 N/A ARG 215.A N ARG 211.A O no hydrogen 2.844 N/A ARG 215.A NH1 GLU 212.A OE1 no hydrogen 2.822 N/A ILE 216.A N GLU 212.A O no hydrogen 2.770 N/A VAL 217.A N VAL 213.A O no hydrogen 2.698 N/A ALA 218.A N GLU 214.A O no hydrogen 2.839 N/A ALA 219.A N ARG 215.A O no hydrogen 2.863 N/A ARG 220.A N VAL 217.A O no hydrogen 3.260 N/A GLU 229.A N GLU 226.A OE1 no hydrogen 3.259 N/A TRP 232.A N MET 228.A O no hydrogen 2.974 N/A GLN 233.A N GLU 229.A O no hydrogen 3.043 N/A GLN 233.A NE2 GLU 229.A OE2 no hydrogen 2.482 N/A GLN 234.A N GLU 230.A O no hydrogen 2.920 N/A VAL 235.A N VAL 231.A O no hydrogen 2.883 N/A LYS 236.A N TRP 232.A O no hydrogen 2.947 N/A ARG 237.A N GLN 233.A O no hydrogen 2.868 N/A GLN 238.A N GLN 234.A O no hydrogen 2.750 N/A GLU 239.A N LYS 236.A O no hydrogen 3.428 N/A