Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bxe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N GLY 1.A O no hydrogen 2.562 N/A GLU 6.A N LEU 2.A O no hydrogen 2.861 N/A LYS 7.A N THR 3.A O no hydrogen 2.982 N/A LYS 7.A NZ GLU 11.A OE2 no hydrogen 2.773 N/A THR 8.A N LEU 4.A O no hydrogen 2.928 N/A THR 8.A OG1 LEU 4.A O no hydrogen 2.997 N/A LEU 9.A N LEU 5.A O no hydrogen 2.933 N/A LYS 10.A N GLU 6.A O no hydrogen 2.948 N/A LYS 10.A NZ LYS 16.A O no hydrogen 3.252 N/A LYS 10.A NZ ASP 17.A OD1 no hydrogen 3.525 N/A GLU 11.A N LYS 7.A O no hydrogen 3.146 N/A ARG 12.A N THR 8.A O no hydrogen 2.821 N/A LEU 13.A N LEU 9.A O no hydrogen 2.929 N/A ASN 14.A N GLU 11.A O no hydrogen 3.423 N/A LEU 15.A N LYS 10.A O no hydrogen 2.952 N/A LYS 16.A N THR 232.A O no hydrogen 2.886 N/A ILE 19.A N LEU 234.A O no hydrogen 2.783 N/A ILE 20.A N GLU 6.A OE2 no hydrogen 2.986 N/A VAL 21.A N THR 236.A O no hydrogen 2.926 N/A GLY 23.A N GLU 238.A OE1 no hydrogen 2.864 N/A SER 25.A N ASP 237.A OD2 no hydrogen 2.760 N/A SER 25.A OG ASP 237.A OD2 no hydrogen 2.745 N/A ASP 26.A N ASP 24.A OD1 no hydrogen 3.023 N/A GLN 27.A N ASP 24.A O no hydrogen 2.852 N/A SER 28.A N ASP 24.A O no hydrogen 2.784 N/A VAL 31.A N SER 28.A O no hydrogen 3.001 N/A LYS 32.A N PRO 29.A O no hydrogen 3.084 N/A LYS 32.A NZ THR 59.A OG1 no hydrogen 2.713 N/A LYS 33.A N TRP 30.A O no hydrogen 2.997 N/A GLU 34.A N TRP 30.A O no hydrogen 3.331 N/A MET 35.A N VAL 31.A O no hydrogen 2.879 N/A GLY 36.A N LYS 32.A O no hydrogen 2.929 N/A ARG 37.A N LYS 33.A O no hydrogen 2.849 N/A ARG 37.A NE GLU 34.A OE1 no hydrogen 2.753 N/A ARG 37.A NE GLU 34.A OE2 no hydrogen 3.429 N/A ARG 37.A NH2 GLU 34.A OE2 no hydrogen 2.827 N/A ALA 38.A N GLU 34.A O no hydrogen 3.037 N/A ALA 39.A N MET 35.A O no hydrogen 2.897 N/A VAL 40.A N GLY 36.A O no hydrogen 2.964 N/A ALA 41.A N ARG 37.A O no hydrogen 3.176 N/A CYS 42.A N ALA 38.A O no hydrogen 2.965 N/A CYS 42.A SG.A ALA 38.A O no hydrogen 3.190 N/A MET 43.A N ALA 39.A O no hydrogen 2.850 N/A LYS 44.A N VAL 40.A O no hydrogen 3.038 N/A LYS 44.A NZ THR 69.A O no hydrogen 3.222 N/A LYS 44.A NZ THR 69.A OG1 no hydrogen 2.720 N/A LYS 44.A NZ PRO 70.A O no hydrogen 3.044 N/A LYS 45.A N ALA 41.A O no hydrogen 3.205 N/A ARG 46.A N MET 43.A O no hydrogen 2.984 N/A ARG 46.A NE ASP 208.A OD1 no hydrogen 2.753 N/A PHE 47.A N MET 43.A O no hydrogen 3.064 N/A SER 48.A N ASN 51.A OD1 no hydrogen 2.910 N/A ASN 51.A ND2 SER 48.A O no hydrogen 2.776 N/A ASN 51.A ND2 GLU 76.A O no hydrogen 3.061 N/A ILE 52.A N SER 143.A OG no hydrogen 2.907 N/A VAL 53.A N LEU 78.A O no hydrogen 2.733 N/A ALA 54.A N MET 144.A O no hydrogen 2.878 N/A VAL 55.A N VAL 80.A O no hydrogen 2.865 N/A THR 56.A N VAL 146.A O no hydrogen 3.071 N/A THR 56.A OG1 GLY 57.A O no hydrogen 3.296 N/A GLY 58.A N ASN 92.A O no hydrogen 3.012 N/A GLU 62.A N GLY 58.A O no hydrogen 3.035 N/A ALA 63.A N THR 59.A O no hydrogen 2.990 N/A VAL 64.A N THR 60.A O no hydrogen 3.177 N/A ALA 65.A N ILE 61.A O no hydrogen 2.947 N/A GLU 66.A N GLU 62.A O no hydrogen 2.835 N/A MET 67.A N ALA 63.A O no hydrogen 3.078 N/A MET 67.A N VAL 64.A O no hydrogen 3.128 N/A MET 68.A N ALA 65.A O no hydrogen 3.125 N/A LYS 73.A N ASP 71.A OD1 no hydrogen 3.368 N/A ASN 74.A N ASP 71.A O no hydrogen 2.903 N/A ARG 75.A N ASP 71.A OD2 no hydrogen 2.788 N/A ARG 75.A NE ASP 71.A OD2 no hydrogen 2.754 N/A ARG 75.A NH1 LYS 44.A O no hydrogen 2.953 N/A ARG 75.A NH1 PHE 47.A O no hydrogen 3.217 N/A ARG 75.A NH2 LYS 44.A O no hydrogen 2.828 N/A ARG 75.A NH2 ASP 71.A OD1 no hydrogen 2.615 N/A ARG 75.A NH2 ASP 71.A OD2 no hydrogen 3.507 N/A GLU 76.A N GLY 49.A O no hydrogen 2.989 N/A LEU 78.A N ASN 51.A O no hydrogen 2.976 N/A PHE 79.A N THR 108.A O no hydrogen 2.902 N/A VAL 80.A N VAL 53.A O no hydrogen 2.855 N/A ALA 82.A N VAL 55.A O no hydrogen 2.900 N/A ARG 83.A NH1 VAL 193.A O no hydrogen 2.820 N/A ARG 83.A NH1 SER 195.A O no hydrogen 3.044 N/A ARG 83.A NH2 PHE 179.A O no hydrogen 3.037 N/A ARG 83.A NH2 VAL 193.A O no hydrogen 3.257 N/A GLY 84.A N SER 195.A OG no hydrogen 2.721 N/A GLU 88.A N GLY 85.A O no hydrogen 3.091 N/A ASN 92.A N ASP 89.A O no hydrogen 2.868 N/A GLN 93.A N VAL 90.A O no hydrogen 3.136 N/A GLN 93.A NE2 GLU 88.A O no hydrogen 2.936 N/A ASN 95.A ND2 LEU 112.A O no hydrogen 2.796 N/A THR 96.A N GLN 93.A O no hydrogen 3.015 N/A THR 96.A OG1 VAL 90.A O no hydrogen 2.686 N/A ILE 97.A N GLN 93.A O no hydrogen 3.195 N/A CYS 98.A N ALA 94.A O no hydrogen 2.839 N/A CYS 98.A SG ARG 110.A O no hydrogen 3.885 N/A ALA 99.A N ASN 95.A O no hydrogen 3.070 N/A HIS 100.A N THR 96.A O no hydrogen 3.025 N/A HIS 100.A ND1 GLU 62.A OE1 no hydrogen 3.143 N/A MET 101.A N ILE 97.A O no hydrogen 2.802 N/A ALA 102.A N CYS 98.A O no hydrogen 3.033 N/A GLU 103.A N ALA 99.A O no hydrogen 3.045 N/A LYS 104.A N HIS 100.A O no hydrogen 3.108 N/A ALA 105.A N MET 101.A O no hydrogen 2.912 N/A SER 106.A N GLU 103.A O no hydrogen 3.202 N/A GLY 107.A N ALA 102.A O no hydrogen 2.826 N/A THR 108.A N LEU 77.A O no hydrogen 3.046 N/A THR 108.A OG1 LEU 77.A O no hydrogen 3.327 N/A ARG 110.A N PHE 79.A O no hydrogen 3.095 N/A LEU 112.A N ASN 95.A OD1 no hydrogen 3.358 N/A ALA 122.A N SER 119.A OG no hydrogen 3.356 N/A TYR 123.A N SER 119.A O no hydrogen 2.930 N/A TYR 123.A OH HIS 194.A NE2.A no hydrogen 3.275 N/A SER 124.A N GLN 120.A O no hydrogen 3.001 N/A SER 124.A OG.A GLN 120.A O no hydrogen 3.373 N/A SER 124.A OG.A GLY 121.A O no hydrogen 2.817 N/A SER 124.A OG.B GLN 120.A O no hydrogen 3.260 N/A SER 125.A N GLY 121.A O no hydrogen 3.095 N/A SER 125.A OG GLY 121.A O no hydrogen 3.060 N/A ILE 126.A N ALA 122.A O no hydrogen 2.904 N/A ILE 127.A N TYR 123.A O no hydrogen 3.092 N/A GLU 128.A N SER 124.A O no hydrogen 3.232 N/A GLU 128.A N SER 125.A O no hydrogen 3.310 N/A GLU 129.A N ILE 126.A O no hydrogen 3.324 N/A SER 131.A N GLU 129.A OE1 no hydrogen 2.963 N/A SER 131.A OG GLU 129.A OE1 no hydrogen 3.177 N/A SER 131.A OG GLU 129.A OE2 no hydrogen 2.411 N/A VAL 132.A N GLU 129.A OE2 no hydrogen 3.197 N/A LYS 133.A N GLU 129.A O no hydrogen 2.948 N/A GLU 134.A N PRO 130.A O no hydrogen 2.942 N/A VAL 135.A N SER 131.A O no hydrogen 3.225 N/A LEU 136.A N VAL 132.A O no hydrogen 2.931 N/A ASN 137.A N LYS 133.A O no hydrogen 2.876 N/A THR 138.A N GLU 134.A O no hydrogen 2.997 N/A THR 138.A OG1 GLU 134.A O no hydrogen 2.934 N/A ILE 139.A N VAL 135.A O no hydrogen 2.953 N/A LYS 140.A N LEU 136.A O no hydrogen 3.001 N/A LYS 140.A NZ ASP 202.A OD1 no hydrogen 2.920 N/A SER 141.A N THR 138.A O no hydrogen 2.961 N/A SER 141.A OG.A THR 138.A O no hydrogen 3.071 N/A SER 141.A OG.B ASN 137.A O no hydrogen 3.294 N/A ALA 142.A N ILE 139.A O no hydrogen 2.986 N/A SER 143.A N ILE 52.A O no hydrogen 2.793 N/A SER 143.A OG ILE 52.A O no hydrogen 3.203 N/A MET 144.A N ILE 52.A O no hydrogen 3.146 N/A LEU 145.A N ASP 208.A O no hydrogen 2.918 N/A VAL 146.A N ALA 54.A O no hydrogen 2.816 N/A HIS 147.A N ILE 210.A O no hydrogen 3.023 N/A HIS 147.A ND1 GLY 148.A O no hydrogen 2.833 N/A GLY 148.A N THR 56.A OG1 no hydrogen 3.208 N/A GLY 150.A N GLU 177.A O no hydrogen 2.909 N/A ALA 152.A N VAL 175.A O no hydrogen 3.203 N/A MET 155.A N GLU 151.A O no hydrogen 3.018 N/A ALA 156.A N ALA 152.A O no hydrogen 2.922 N/A GLN 157.A N LYS 153.A O no hydrogen 2.944 N/A ARG 158.A N THR 154.A O no hydrogen 3.053 N/A ARG 158.A NE GLU 88.A OE1 no hydrogen 3.006 N/A ARG 158.A NH1 GLU 88.A OE2 no hydrogen 2.941 N/A ARG 159.A N MET 155.A O no hydrogen 3.074 N/A ARG 159.A NE GLU 88.A OE2 no hydrogen 2.898 N/A ARG 159.A NH1 GLU 177.A OE2 no hydrogen 2.852 N/A ARG 159.A NH1 TYR 182.A OH no hydrogen 3.106 N/A ARG 159.A NH2 GLU 177.A OE2 no hydrogen 2.776 N/A THR 161.A OG1 ALA 156.A O no hydrogen 2.575 N/A LEU 166.A N PRO 162.A O no hydrogen 2.972 N/A LYS 167.A N LEU 163.A O no hydrogen 2.997 N/A LYS 167.A NZ ASP 171.A OD2 no hydrogen 3.414 N/A LYS 168.A N GLU 164.A O no hydrogen 3.166 N/A LYS 168.A NZ HIS 191.A ND1 no hydrogen 3.159 N/A ILE 169.A N ASP 165.A O no hydrogen 2.885 N/A ASP 170.A N LEU 166.A O no hydrogen 2.978 N/A ASP 171.A N LYS 167.A O no hydrogen 2.750 N/A ASN 172.A N LYS 168.A O no hydrogen 2.951 N/A ASN 172.A ND2 LYS 168.A O no hydrogen 2.883 N/A ASP 173.A N ASP 170.A O no hydrogen 3.071 N/A ALA 174.A N ILE 169.A O no hydrogen 3.120 N/A VAL 175.A N PHE 183.A O no hydrogen 2.831 N/A THR 176.A N PHE 183.A O no hydrogen 3.225 N/A THR 176.A OG1 GLY 150.A O no hydrogen 3.423 N/A THR 176.A OG1 ALA 221.A O no hydrogen 2.789 N/A GLU 177.A N GLY 150.A O no hydrogen 2.851 N/A ALA 178.A N TYR 181.A O no hydrogen 3.025 N/A GLY 180.A N GLU 177.A OE2 no hydrogen 2.807 N/A TYR 181.A N ALA 178.A O no hydrogen 2.879 N/A TYR 182.A N HIS 191.A O no hydrogen 2.809 N/A PHE 183.A N THR 176.A O no hydrogen 2.896 N/A ASN 184.A N GLU 188.A O no hydrogen 2.967 N/A ASN 184.A ND2 GLU 188.A OE1 no hydrogen 3.136 N/A ASP 186.A N ASN 184.A OD1 no hydrogen 3.005 N/A GLY 187.A N ASN 184.A O no hydrogen 2.963 N/A GLU 188.A N ASN 184.A OD1 no hydrogen 3.001 N/A VAL 190.A N TYR 182.A O no hydrogen 2.835 N/A HIS 191.A N TYR 182.A O no hydrogen 3.379 N/A LYS 192.A NZ TYR 181.A OH no hydrogen 2.684 N/A VAL 193.A N GLY 180.A O no hydrogen 2.784 N/A SER 195.A OG VAL 196.A O no hydrogen 3.362 N/A MET 198.A N ALA 82.A O no hydrogen 2.832 N/A GLN 199.A N ASP 202.A OD2 no hydrogen 2.765 N/A LEU 200.A N TYR 181.A OH no hydrogen 2.945 N/A ASP 202.A N GLN 199.A O no hydrogen 2.907 N/A ILE 203.A N LEU 200.A O no hydrogen 3.161 N/A ALA 205.A N ASP 202.A O no hydrogen 3.326 N/A ILE 206.A N ILE 203.A O no hydrogen 3.035 N/A ASP 208.A N SER 143.A O no hydrogen 3.410 N/A ILE 210.A N LEU 145.A O no hydrogen 2.813 N/A ALA 211.A N VAL 233.A O no hydrogen 2.811 N/A VAL 212.A N HIS 147.A O no hydrogen 2.918 N/A ALA 213.A N VAL 235.A O no hydrogen 2.987 N/A GLY 215.A N ASP 237.A OD1 no hydrogen 2.723 N/A SER 216.A N ASP 24.A OD1 no hydrogen 2.927 N/A SER 216.A OG ASP 24.A OD1 no hydrogen 3.562 N/A SER 216.A OG ASP 24.A OD2 no hydrogen 2.757 N/A SER 217.A N ASP 26.A OD2 no hydrogen 2.628 N/A SER 217.A OG ASP 26.A OD1 no hydrogen 3.549 N/A SER 217.A OG ASP 26.A OD2 no hydrogen 2.811 N/A LYS 218.A N GLY 215.A O no hydrogen 3.035 N/A LYS 218.A NZ ILE 149.A O no hydrogen 2.761 N/A ALA 219.A N SER 216.A O no hydrogen 3.217 N/A ILE 222.A N LYS 218.A O no hydrogen 2.887 N/A GLU 223.A N ALA 219.A O no hydrogen 3.062 N/A ALA 224.A N GLU 220.A O no hydrogen 3.009 N/A TYR 225.A N ALA 221.A O no hydrogen 3.041 N/A PHE 226.A N ILE 222.A O no hydrogen 3.154 N/A LYS 227.A N ALA 224.A O no hydrogen 3.075 N/A ARG 230.A NE TYR 225.A O no hydrogen 2.823 N/A ARG 230.A NH2 GLY 187.A O no hydrogen 3.057 N/A ARG 230.A NH2 TYR 225.A O no hydrogen 2.978 N/A THR 232.A OG1 ARG 230.A O no hydrogen 2.756 N/A VAL 233.A N ILE 209.A O no hydrogen 2.863 N/A LEU 234.A N ASP 17.A O no hydrogen 2.996 N/A VAL 235.A N ALA 211.A O no hydrogen 2.700 N/A THR 236.A N ILE 19.A O no hydrogen 2.878 N/A THR 236.A OG1 ALA 213.A O no hydrogen 2.598 N/A ASP 237.A N THR 236.A OG1 no hydrogen 2.802 N/A GLU 238.A N VAL 21.A O no hydrogen 3.031 N/A GLY 239.A N GLY 23.A O no hydrogen 2.983 N/A ALA 240.A N ASP 237.A OD1 no hydrogen 2.966 N/A ALA 241.A N ASP 237.A O no hydrogen 2.993 N/A LYS 242.A N GLU 238.A O no hydrogen 2.805 N/A LYS 242.A NZ ASP 247.A O no hydrogen 3.528 N/A LYS 242.A NZ ASP 247.A OD2 no hydrogen 3.401 N/A LYS 243.A NZ.A SER 216.A O no hydrogen 2.899 N/A LEU 244.A N ALA 240.A O no hydrogen 2.925 N/A LEU 245.A N ALA 241.A O no hydrogen 2.917 N/A ARG 246.A N LYS 243.A O no hydrogen 3.172 N/A ASP 247.A N LYS 242.A O no hydrogen 2.806 N/A