Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3enz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ILE 8.A O no hydrogen 2.859 N/A HIS 5.A N GLU 75.A OE1 no hydrogen 3.082 N/A HIS 5.A N GLU 75.A OE2 no hydrogen 3.144 N/A HIS 5.A ND1 GLU 75.A OE2 no hydrogen 2.593 N/A LEU 6.A N GLU 75.A OE1 no hydrogen 3.027 N/A LYS 7.A N LEU 3.A O no hydrogen 2.885 N/A LYS 7.A NZ ARG 4.A O no hydrogen 3.006 N/A SER 9.A N GLN 12.A OE1 no hydrogen 2.868 N/A SER 9.A OG GLU 11.A OE1 no hydrogen 3.481 N/A SER 9.A OG GLN 12.A OE1 no hydrogen 3.543 N/A GLU 11.A N GLU 11.A OE1 no hydrogen 2.796 N/A GLN 12.A N SER 9.A O no hydrogen 2.985 N/A ILE 13.A N LYS 10.A O no hydrogen 3.207 N/A THR 14.A OG1 VAL 16.A O no hydrogen 2.637 N/A VAL 17.A N VAL 83.A O no hydrogen 2.853 N/A LEU 18.A N LEU 58.A O no hydrogen 2.847 N/A VAL 19.A N ILE 85.A O no hydrogen 2.722 N/A VAL 20.A N VAL 60.A O no hydrogen 3.126 N/A GLY 24.A N ASP 22.A OD1 no hydrogen 2.920 N/A ARG 25.A N ASP 22.A O no hydrogen 2.806 N/A ARG 25.A NH1 ALA 87.A O no hydrogen 3.010 N/A VAL 26.A N PRO 23.A O no hydrogen 3.177 N/A ILE 29.A N ARG 25.A O no hydrogen 2.938 N/A LYS 30.A N VAL 26.A O no hydrogen 2.986 N/A LYS 30.A NZ ASP 27.A OD1 no hydrogen 2.747 N/A LYS 30.A NZ ASP 38.A OD1 no hydrogen 2.856 N/A LYS 30.A NZ ASP 38.A OD2 no hydrogen 3.384 N/A VAL 31.A N ASP 27.A O no hydrogen 3.493 N/A VAL 32.A N ILE 29.A O no hydrogen 2.949 N/A CYS 33.A N ILE 29.A O no hydrogen 3.362 N/A CYS 33.A SG ILE 29.A O no hydrogen 3.607 N/A ASP 34.A N HIS 51.A O no hydrogen 2.795 N/A SER 35.A N HIS 51.A O no hydrogen 3.345 N/A VAL 37.A N GLU 49.A O no hydrogen 2.815 N/A LEU 39.A N SER 47.A O no hydrogen 2.917 N/A ALA 40.A N SER 47.A O no hydrogen 3.208 N/A ASN 42.A N TYR 45.A O no hydrogen 2.978 N/A ASN 42.A ND2 HIS 5.A O no hydrogen 2.850 N/A GLU 44.A N GLU 44.A OE2 no hydrogen 2.737 N/A TYR 45.A N ASN 42.A O no hydrogen 2.826 N/A TYR 45.A OH GLY 68.A O no hydrogen 2.774 N/A LYS 46.A N SER 61.A OG no hydrogen 2.808 N/A LYS 46.A NZ ASP 27.A OD1 no hydrogen 2.848 N/A LYS 46.A NZ ASP 27.A OD2 no hydrogen 3.121 N/A SER 47.A N ALA 40.A O no hydrogen 2.812 N/A VAL 48.A N CYS 59.A O no hydrogen 2.837 N/A GLU 49.A N VAL 37.A O no hydrogen 2.804 N/A CYS 50.A N PHE 57.A O no hydrogen 2.760 N/A HIS 51.A N SER 35.A O no hydrogen 2.851 N/A TYR 52.A N GLN 55.A O no hydrogen 3.001 N/A LYS 53.A N ASP 34.A OD2 no hydrogen 3.023 N/A GLN 55.A N TYR 52.A O no hydrogen 3.001 N/A PHE 57.A N CYS 50.A O no hydrogen 2.990 N/A LEU 58.A N THR 14.A OG1 no hydrogen 2.930 N/A CYS 59.A N VAL 48.A O no hydrogen 2.727 N/A CYS 59.A SG LEU 18.A O no hydrogen 3.790 N/A VAL 60.A N LEU 18.A O no hydrogen 2.942 N/A SER 61.A N LYS 46.A O no hydrogen 2.993 N/A SER 61.A OG GLU 44.A O no hydrogen 2.668 N/A HIS 62.A N VAL 20.A O no hydrogen 2.748 N/A HIS 62.A ND1 GLY 63.A O no hydrogen 2.755 N/A GLY 63.A N GLY 21.A O no hydrogen 3.014 N/A GLY 65.A N GLU 182.A OE2 no hydrogen 2.780 N/A SER 66.A OG ASP 156.A OD1 no hydrogen 2.624 N/A SER 66.A OG ASP 156.A OD2 no hydrogen 3.049 N/A CYS 69.A N GLY 65.A O no hydrogen 2.985 N/A CYS 69.A SG GLY 65.A O no hydrogen 3.609 N/A CYS 69.A SG SER 66.A O no hydrogen 3.282 N/A ALA 70.A N SER 66.A O no hydrogen 2.840 N/A VAL 71.A N ALA 67.A O no hydrogen 3.395 N/A PHE 73.A N CYS 69.A O no hydrogen 2.773 N/A GLU 74.A N ALA 70.A O no hydrogen 2.864 N/A GLU 75.A N VAL 71.A O no hydrogen 3.188 N/A LEU 76.A N CYS 72.A O no hydrogen 3.024 N/A CYS 77.A N PHE 73.A O no hydrogen 2.878 N/A CYS 77.A SG PHE 73.A O no hydrogen 3.224 N/A GLN 78.A N GLU 74.A O no hydrogen 2.848 N/A GLN 78.A NE2 GLU 74.A OE1 no hydrogen 2.970 N/A ASN 79.A N LEU 76.A O no hydrogen 3.151 N/A ASN 79.A ND2 GLU 75.A O no hydrogen 2.778 N/A ALA 81.A N LEU 76.A O no hydrogen 3.050 N/A LYS 82.A N PRO 15.A O no hydrogen 2.715 N/A VAL 83.A N PRO 15.A O no hydrogen 2.884 N/A ILE 84.A N LYS 196.A O no hydrogen 2.800 N/A ILE 85.A N VAL 17.A O no hydrogen 3.030 N/A ARG 86.A N GLY 198.A O no hydrogen 2.945 N/A ARG 86.A NE GLU 180.A OE2 no hydrogen 2.984 N/A ARG 86.A NH2 GLU 180.A OE2 no hydrogen 3.066 N/A ALA 87.A N VAL 19.A O no hydrogen 2.816 N/A GLY 88.A N ILE 200.A O no hydrogen 3.023 N/A CYS 90.A N ILE 202.A O no hydrogen 2.899 N/A GLY 91.A N VAL 179.A O no hydrogen 2.842 N/A SER 92.A N GLY 205.A O no hydrogen 2.947 N/A SER 92.A OG ILE 98.A O no hydrogen 2.645 N/A LEU 93.A N ALA 177.A O no hydrogen 2.823 N/A GLN 94.A N SER 92.A OG no hydrogen 3.093 N/A GLN 94.A NE2 SER 172.A O no hydrogen 2.925 N/A GLN 94.A NE2 ALA 176.A O no hydrogen 2.842 N/A LEU 97.A N GLN 94.A O no hydrogen 2.906 N/A ILE 98.A N GLN 94.A O no hydrogen 2.767 N/A LYS 99.A N ASP 102.A OD2 no hydrogen 2.802 N/A LYS 99.A NZ PRO 95.A O no hydrogen 2.805 N/A LYS 99.A NZ ASP 96.A O no hydrogen 3.504 N/A GLY 101.A N VAL 203.A O no hydrogen 2.724 N/A ASP 102.A N LYS 99.A O no hydrogen 3.022 N/A CYS 104.A N LEU 201.A O no hydrogen 2.824 N/A ILE 105.A N PHE 148.A O no hydrogen 2.846 N/A CYS 106.A N GLY 199.A O no hydrogen 3.034 N/A ASN 107.A N GLY 150.A O no hydrogen 3.423 N/A ALA 109.A N ALA 126.A O no hydrogen 3.001 N/A VAL 110.A N SER 152.A O no hydrogen 2.811 N/A ARG 111.A NE SER 116.A OG no hydrogen 2.910 N/A ARG 111.A NH1 HIS 121.A O no hydrogen 2.756 N/A ARG 111.A NH1 PHE 124.A O no hydrogen 2.787 N/A ARG 111.A NH2 SER 116.A OG no hydrogen 3.078 N/A ARG 111.A NH2 ILE 120.A O no hydrogen 2.993 N/A SER 116.A N ASP 113.A OD2 no hydrogen 2.991 N/A SER 116.A OG ASP 113.A OD1 no hydrogen 2.615 N/A SER 116.A OG ASP 113.A OD2 no hydrogen 3.315 N/A HIS 117.A N ARG 114.A O no hydrogen 2.925 N/A HIS 117.A NE2 ARG 111.A O no hydrogen 2.813 N/A LEU 118.A N ARG 114.A O no hydrogen 3.055 N/A LEU 119.A N SER 116.A O no hydrogen 3.138 N/A ILE 120.A N SER 116.A O no hydrogen 2.845 N/A PHE 124.A N HIS 121.A O no hydrogen 3.201 N/A GLY 128.A N ASN 107.A O no hydrogen 2.831 N/A ASP 129.A N THR 197.A O no hydrogen 2.756 N/A VAL 132.A N ASP 129.A OD1 no hydrogen 3.064 N/A TYR 133.A N ASP 129.A O no hydrogen 3.135 N/A ASP 134.A N PHE 130.A O no hydrogen 2.912 N/A THR 135.A N ASP 131.A O no hydrogen 2.885 N/A THR 135.A OG1 ASP 131.A O no hydrogen 2.656 N/A LEU 136.A N VAL 132.A O no hydrogen 3.003 N/A ASN 137.A N TYR 133.A O no hydrogen 3.047 N/A LYS 138.A N ASP 134.A O no hydrogen 2.905 N/A CYS 139.A N THR 135.A O no hydrogen 2.855 N/A CYS 139.A SG THR 135.A O no hydrogen 3.319 N/A ALA 140.A N LEU 136.A O no hydrogen 3.030 N/A GLN 141.A N ASN 137.A O no hydrogen 3.000 N/A GLU 142.A N LYS 138.A O no hydrogen 2.994 N/A LEU 143.A N CYS 139.A O no hydrogen 3.036 N/A ASN 144.A N GLN 141.A O no hydrogen 2.954 N/A VAL 145.A N ALA 140.A O no hydrogen 2.947 N/A PHE 148.A N ILE 103.A O no hydrogen 2.875 N/A SER 152.A N ALA 108.A O no hydrogen 3.077 N/A SER 152.A OG VAL 153.A O no hydrogen 3.375 N/A SER 152.A OG GLU 180.A OE1 no hydrogen 2.767 N/A VAL 153.A N VAL 178.A O no hydrogen 2.819 N/A SER 154.A N VAL 110.A O no hydrogen 3.124 N/A SER 154.A OG GLU 180.A OE1 no hydrogen 2.801 N/A SER 155.A N GLU 180.A O no hydrogen 2.942 N/A SER 155.A OG GLU 112.A OE1 no hydrogen 2.583 N/A SER 155.A OG MET 157.A O no hydrogen 3.467 N/A ASP 156.A N GLU 112.A O no hydrogen 2.930 N/A MET 157.A N SER 155.A OG no hydrogen 3.046 N/A ILE 163.A N ASN 161.A OD1 no hydrogen 2.772 N/A ILE 164.A N ASN 161.A OD1 no hydrogen 3.188 N/A LEU 168.A N SER 166.A OG no hydrogen 3.180 N/A TYR 171.A N ARG 167.A O no hydrogen 2.978 N/A SER 172.A N LEU 168.A O no hydrogen 2.928 N/A SER 172.A OG LEU 93.A O no hydrogen 2.605 N/A LYS 173.A N GLU 169.A O no hydrogen 2.952 N/A ALA 174.A N ASP 170.A O no hydrogen 2.955 N/A ASN 175.A N SER 172.A O no hydrogen 2.965 N/A ALA 176.A N TYR 171.A O no hydrogen 3.035 N/A ALA 177.A N ILE 151.A O no hydrogen 2.851 N/A VAL 179.A N GLY 91.A O no hydrogen 2.850 N/A GLU 180.A N VAL 153.A O no hydrogen 2.864 N/A GLU 182.A N GLU 180.A OE2 no hydrogen 3.053 N/A LEU 183.A N GLU 180.A OE2 no hydrogen 2.971 N/A ALA 184.A N SER 154.A OG no hydrogen 2.794 N/A THR 185.A OG1 ASP 113.A OD2 no hydrogen 2.688 N/A LEU 186.A N GLU 182.A O no hydrogen 3.095 N/A MET 187.A N LEU 183.A O no hydrogen 2.965 N/A VAL 188.A N ALA 184.A O no hydrogen 2.952 N/A ILE 189.A N THR 185.A O no hydrogen 3.050 N/A GLY 190.A N LEU 186.A O no hydrogen 2.876 N/A THR 191.A N MET 187.A O no hydrogen 2.947 N/A THR 191.A OG1 MET 187.A O no hydrogen 3.157 N/A LEU 192.A N VAL 188.A O no hydrogen 3.018 N/A ARG 193.A N ILE 189.A O no hydrogen 2.951 N/A ARG 193.A NE GLU 74.A OE1 no hydrogen 2.987 N/A LYS 194.A N THR 191.A O no hydrogen 3.367 N/A VAL 195.A N GLY 190.A O no hydrogen 2.696 N/A LYS 196.A N LYS 82.A O no hydrogen 2.897 N/A GLY 198.A N ILE 84.A O no hydrogen 3.098 N/A ILE 200.A N ARG 86.A O no hydrogen 2.926 N/A LEU 201.A N CYS 104.A O no hydrogen 2.807 N/A ILE 202.A N GLY 88.A O no hydrogen 2.920 N/A VAL 203.A N ASP 102.A O no hydrogen 2.844 N/A ASP 204.A N CYS 90.A O no hydrogen 2.856 N/A CYS 206.A N ASP 214.A O no hydrogen 2.947 N/A CYS 206.A SG SER 92.A O no hydrogen 3.362 N/A LYS 209.A N CYS 206.A O no hydrogen 2.792 N/A GLU 212.A N LYS 209.A O no hydrogen 2.854 N/A GLY 213.A N TRP 210.A O no hydrogen 3.194 N/A ASP 214.A N LYS 209.A O no hydrogen 3.245 N/A PHE 215.A N GLY 213.A O no hydrogen 2.863 N/A ASP 216.A N ASP 204.A O no hydrogen 2.989 N/A ASN 218.A N ASP 216.A OD1 no hydrogen 2.898 N/A ASN 218.A ND2 ASP 216.A OD1 no hydrogen 3.352 N/A GLN 223.A NE2 GLY 101.A O no hydrogen 3.011 N/A LEU 224.A N VAL 220.A O no hydrogen 2.881 N/A GLU 225.A N PRO 221.A O no hydrogen 3.026 N/A ASN 226.A N HIS 222.A O no hydrogen 2.965 N/A ASN 226.A ND2 GLN 223.A OE1 no hydrogen 3.121 N/A MET 227.A N GLN 223.A O no hydrogen 2.857 N/A ILE 228.A N LEU 224.A O no hydrogen 2.938 N/A LYS 229.A N GLU 225.A O no hydrogen 2.963 N/A LYS 229.A NZ GLU 225.A OE1 no hydrogen 2.712 N/A ILE 230.A N ASN 226.A O no hydrogen 2.865 N/A ALA 231.A N MET 227.A O no hydrogen 2.885 N/A LEU 232.A N ILE 228.A O no hydrogen 2.830 N/A GLY 233.A N LYS 229.A O no hydrogen 2.945 N/A ALA 234.A N ILE 230.A O no hydrogen 2.974 N/A CYS 235.A N ALA 231.A O no hydrogen 2.888 N/A CYS 235.A SG ALA 231.A O no hydrogen 3.359 N/A ALA 236.A N LEU 232.A O no hydrogen 2.982 N/A LYS 237.A N GLY 233.A O no hydrogen 3.004 N/A LYS 237.A NZ GLU 142.A OE1 no hydrogen 3.298 N/A LYS 237.A NZ GLU 142.A OE2 no hydrogen 2.880 N/A LEU 238.A N ALA 234.A O no hydrogen 2.853 N/A ALA 239.A N CYS 235.A O no hydrogen 2.936 N/A THR 240.A N ALA 236.A O no hydrogen 3.152 N/A THR 240.A OG1 LYS 237.A O no hydrogen 2.782 N/A LYS 241.A N LYS 237.A O no hydrogen 2.767 N/A LYS 241.A NZ ASP 131.A OD1 no hydrogen 3.305 N/A TYR 242.A N LEU 238.A O no hydrogen 2.823 N/A ALA 243.A N ALA 239.A O no hydrogen 3.193 N/A LEU 244.A N THR 240.A O no hydrogen 3.028 N/A