Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n5e_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 ARG 225.A O no hydrogen 2.677 N/A GLU 5.A N HIS 3.A ND1 no hydrogen 3.037 N/A LEU 6.A N HIS 3.A O no hydrogen 3.042 N/A GLN 7.A N GLY 4.A O no hydrogen 3.152 N/A GLN 7.A NE2 GLY 4.A O no hydrogen 3.309 N/A GLN 7.A NE2 ARG 38.A O no hydrogen 2.506 N/A TYR 8.A OH MET 170.A O no hydrogen 2.613 N/A LEU 9.A N GLU 5.A O no hydrogen 2.972 N/A GLY 10.A N LEU 6.A O no hydrogen 2.853 N/A GLN 11.A N GLN 7.A O no hydrogen 2.937 N/A ILE 12.A N TYR 8.A O no hydrogen 3.046 N/A GLN 13.A N LEU 9.A O no hydrogen 2.946 N/A HIS 14.A N GLY 10.A O no hydrogen 2.813 N/A ILE 15.A N GLN 11.A O no hydrogen 3.020 N/A LEU 16.A N ILE 12.A O no hydrogen 2.898 N/A ARG 17.A N GLN 13.A O no hydrogen 3.140 N/A VAL 19.A N SER 31.A O no hydrogen 2.947 N/A LYS 21.A N THR 29.A O no hydrogen 3.090 N/A LYS 21.A NZ ASP 205.A OD2 no hydrogen 2.956 N/A ASP 23.A N THR 27.A O no hydrogen 2.839 N/A THR 25.A N ASP 23.A OD1 no hydrogen 2.937 N/A THR 25.A OG1 ASP 23.A OD1 no hydrogen 2.871 N/A THR 25.A OG1 THR 27.A OG1 no hydrogen 2.690 N/A GLY 26.A N ASP 23.A O no hydrogen 2.994 N/A THR 27.A N ASP 23.A OD1 no hydrogen 2.970 N/A THR 27.A OG1 THR 25.A OG1 no hydrogen 2.690 N/A THR 29.A N LYS 21.A O no hydrogen 2.908 N/A THR 29.A OG1 LYS 21.A O no hydrogen 2.712 N/A LEU 30.A N ILE 208.A O no hydrogen 2.792 N/A SER 31.A N VAL 19.A O no hydrogen 2.698 N/A SER 31.A OG ASP 205.A OD1 no hydrogen 2.452 N/A VAL 32.A N ALA 206.A O no hydrogen 2.970 N/A GLY 34.A N GLY 204.A O no hydrogen 2.802 N/A MET 35.A N LEU 203.A O no hydrogen 3.162 N/A GLN 36.A NE2 THR 202.A OG1 no hydrogen 3.116 N/A ALA 37.A N HIS 201.A O no hydrogen 2.919 N/A ARG 38.A N GLN 7.A OE1 no hydrogen 2.761 N/A ARG 38.A NH2 ASP 198.A OD2 no hydrogen 3.153 N/A TYR 39.A N PHE 199.A O no hydrogen 2.755 N/A LEU 41.A N GLY 197.A O no hydrogen 2.814 N/A ARG 42.A N SER 40.A OG no hydrogen 3.191 N/A ARG 42.A NE GLU 158.A OE1 no hydrogen 2.772 N/A ARG 42.A NE GLU 158.A OE2 no hydrogen 3.173 N/A ARG 42.A NH1 ASP 198.A OD1 no hydrogen 3.033 N/A ARG 42.A NH2 GLU 158.A OE1 no hydrogen 3.014 N/A ARG 42.A NH2 ASP 198.A OD2 no hydrogen 3.102 N/A PHE 45.A N PRO 228.A O no hydrogen 2.815 N/A LEU 47.A N PHE 45.A O no hydrogen 2.731 N/A THR 49.A N GLU 5.A OE1 no hydrogen 3.234 N/A THR 49.A N GLU 5.A OE2 no hydrogen 2.800 N/A THR 49.A OG1 GLU 5.A OE2 no hydrogen 2.858 N/A THR 49.A OG1 ARG 225.A O no hydrogen 3.389 N/A THR 50.A N GLU 5.A OE1 no hydrogen 2.732 N/A THR 50.A OG1 GLU 5.A OE1 no hydrogen 2.567 N/A LYS 51.A NZ GLY 171.A O no hydrogen 2.770 N/A VAL 53.A N TYR 252.A OH no hydrogen 2.982 N/A TRP 55.A N VAL 53.A O no hydrogen 2.820 N/A LYS 56.A NZ GLU 60.A OE1 no hydrogen 2.769 N/A GLY 57.A N PHE 54.A O no hydrogen 3.163 N/A VAL 58.A N PHE 54.A O no hydrogen 3.234 N/A LEU 59.A N TRP 55.A O no hydrogen 3.058 N/A GLU 60.A N LYS 56.A O no hydrogen 2.970 N/A GLU 61.A N GLY 57.A O no hydrogen 2.967 N/A LEU 62.A N VAL 58.A O no hydrogen 2.972 N/A LEU 63.A N LEU 59.A O no hydrogen 2.989 N/A TRP 64.A N GLU 60.A O no hydrogen 3.123 N/A PHE 65.A N GLU 61.A O no hydrogen 2.976 N/A ILE 66.A N LEU 62.A O no hydrogen 2.848 N/A LYS 67.A N LEU 63.A O no hydrogen 3.157 N/A GLY 68.A N PHE 65.A O no hydrogen 2.964 N/A SER 69.A OG GLU 74.A OE1 no hydrogen 2.739 N/A THR 70.A OG1 TYR 98.A OH no hydrogen 3.407 N/A ASN 71.A N SER 69.A OG no hydrogen 3.248 N/A LYS 73.A NZ ASP 82.A OD2 no hydrogen 3.364 N/A LEU 75.A N ALA 72.A O no hydrogen 2.978 N/A SER 76.A N LYS 73.A O no hydrogen 3.352 N/A SER 76.A OG ALA 72.A O no hydrogen 3.382 N/A SER 77.A N LYS 73.A O no hydrogen 3.109 N/A LEU 83.A N THR 70.A O no hydrogen 3.278 N/A PHE 89.A N VAL 86.A O no hydrogen 3.016 N/A GLN 90.A NE2 TRP 134.A O no hydrogen 3.309 N/A TRP 91.A N TYR 87.A O no hydrogen 3.036 N/A ARG 92.A N GLY 88.A O no hydrogen 3.010 N/A ARG 92.A NE ASP 111.A OD1 no hydrogen 2.951 N/A ARG 92.A NE ASP 111.A OD2 no hydrogen 3.268 N/A ARG 92.A NH1 ILE 66.A O no hydrogen 2.594 N/A ARG 92.A NH1 ASP 240.A OD1 no hydrogen 2.807 N/A ARG 92.A NH2 ASP 111.A OD2 no hydrogen 2.797 N/A ARG 92.A NH2 ASP 240.A OD1 no hydrogen 3.538 N/A HIS 93.A N PHE 89.A O no hydrogen 2.840 N/A PHE 94.A N VAL 110.A O no hydrogen 2.939 N/A ALA 96.A N HIS 93.A O no hydrogen 3.460 N/A TYR 98.A OH THR 70.A OG1 no hydrogen 3.407 N/A ARG 99.A N TYR 105.A OH no hydrogen 3.191 N/A TYR 105.A OH ASP 100.A O no hydrogen 2.471 N/A SER 106.A N ASP 104.A OD2 no hydrogen 3.309 N/A SER 106.A OG ASP 104.A OD2 no hydrogen 2.656 N/A GLN 108.A N TYR 105.A O no hydrogen 3.043 N/A VAL 110.A N PHE 94.A O no hydrogen 3.153 N/A GLN 112.A NE2 GLN 90.A O no hydrogen 2.890 N/A GLN 112.A NE2 CYS 132.A O no hydrogen 2.905 N/A LEU 113.A N TRP 91.A O no hydrogen 3.119 N/A GLN 114.A N ASP 111.A OD1 no hydrogen 3.032 N/A GLN 114.A NE2 ASP 118.A OD1 no hydrogen 2.660 N/A ARG 115.A N ASP 111.A O no hydrogen 2.919 N/A VAL 116.A N GLN 112.A O no hydrogen 3.104 N/A ILE 117.A N LEU 113.A O no hydrogen 3.186 N/A ASP 118.A N GLN 114.A O no hydrogen 2.878 N/A THR 119.A N ARG 115.A O no hydrogen 2.959 N/A THR 119.A OG1 ARG 115.A O no hydrogen 2.902 N/A ILE 120.A N VAL 116.A O no hydrogen 3.036 N/A LYS 121.A N ILE 117.A O no hydrogen 3.188 N/A THR 122.A N ASP 118.A O no hydrogen 2.805 N/A THR 122.A OG1 ASP 118.A O no hydrogen 2.897 N/A ASN 123.A N THR 119.A O no hydrogen 2.684 N/A ASN 123.A ND2 ASP 126.A OD2 no hydrogen 3.548 N/A ASP 126.A N ASN 123.A O no hydrogen 2.996 N/A ARG 128.A N ASP 126.A OD1 no hydrogen 2.644 N/A ARG 128.A NE ASP 126.A OD1 no hydrogen 2.990 N/A ARG 128.A NH2 ASP 126.A OD2 no hydrogen 2.776 N/A MET 131.A N CYS 150.A O no hydrogen 2.874 N/A CYS 132.A N GLN 112.A OE1 no hydrogen 2.688 N/A ALA 133.A N ALA 148.A O no hydrogen 2.919 N/A TRP 134.A N GLN 90.A OE1 no hydrogen 2.818 N/A TRP 134.A NE1 PRO 145.A O no hydrogen 2.933 N/A ARG 137.A N ASN 135.A OD1 no hydrogen 3.107 N/A ASP 138.A N ASN 135.A O no hydrogen 3.050 N/A LEU 139.A N PRO 136.A O no hydrogen 3.371 N/A LEU 141.A N ASP 138.A O no hydrogen 3.074 N/A HIS 147.A N ALA 133.A O no hydrogen 2.789 N/A ALA 148.A N ALA 133.A O no hydrogen 3.142 N/A LEU 149.A N TYR 164.A O no hydrogen 2.864 N/A CYS 150.A N MET 131.A O no hydrogen 2.921 N/A GLN 151.A N GLN 162.A O no hydrogen 2.801 N/A PHE 152.A N ILE 129.A O no hydrogen 2.799 N/A TYR 153.A N SER 160.A O no hydrogen 2.972 N/A VAL 155.A N GLU 158.A O no hydrogen 3.303 N/A GLU 158.A N VAL 155.A O no hydrogen 2.932 N/A LEU 159.A N LYS 195.A O no hydrogen 2.800 N/A SER 160.A N TYR 153.A O no hydrogen 2.747 N/A CYS 161.A N ASP 198.A O no hydrogen 2.890 N/A GLN 162.A N GLN 151.A O no hydrogen 2.800 N/A GLN 162.A NE2 THR 202.A OG1 no hydrogen 2.645 N/A LEU 163.A N ILE 200.A O no hydrogen 2.924 N/A TYR 164.A N LEU 149.A O no hydrogen 2.703 N/A GLN 165.A N THR 202.A O no hydrogen 2.874 N/A ARG 166.A N HIS 147.A O no hydrogen 3.034 N/A ARG 166.A NH1 ASP 138.A OD2 no hydrogen 2.738 N/A ARG 166.A NH2 ASP 138.A OD2 no hydrogen 3.201 N/A GLY 168.A N ASP 205.A O no hydrogen 2.775 N/A MET 170.A N HIS 207.A O no hydrogen 2.878 N/A LEU 172.A N ASP 169.A OD1 no hydrogen 3.282 N/A GLY 173.A N ASP 169.A O no hydrogen 2.955 N/A VAL 174.A N ASP 169.A O no hydrogen 2.837 N/A ASN 177.A N GLY 173.A O no hydrogen 2.965 N/A ILE 178.A N VAL 174.A O no hydrogen 3.015 N/A ALA 179.A N PRO 175.A O no hydrogen 3.315 N/A SER 180.A N PHE 176.A O no hydrogen 3.035 N/A TYR 181.A N ASN 177.A O no hydrogen 2.873 N/A ALA 182.A N ILE 178.A O no hydrogen 2.954 N/A LEU 183.A N ALA 179.A O no hydrogen 2.882 N/A LEU 184.A N SER 180.A O no hydrogen 2.949 N/A THR 185.A N TYR 181.A O no hydrogen 2.988 N/A THR 185.A OG1 TYR 181.A O no hydrogen 2.819 N/A TYR 186.A N ALA 182.A O no hydrogen 3.045 N/A TYR 186.A OH LEU 41.A O no hydrogen 2.795 N/A TYR 186.A OH GLU 44.A O no hydrogen 2.830 N/A MET 187.A N LEU 183.A O no hydrogen 2.905 N/A ILE 188.A N LEU 184.A O no hydrogen 2.940 N/A ALA 189.A N THR 185.A O no hydrogen 2.810 N/A HIS 190.A N TYR 186.A O no hydrogen 3.055 N/A ILE 191.A N MET 187.A O no hydrogen 3.209 N/A THR 192.A N ILE 188.A O no hydrogen 3.095 N/A THR 192.A N ALA 189.A O no hydrogen 3.133 N/A THR 192.A OG1 ILE 188.A O no hydrogen 2.860 N/A THR 192.A OG1 ALA 189.A O no hydrogen 3.330 N/A LEU 194.A N ALA 189.A O no hydrogen 2.946 N/A LYS 195.A N SER 157.A O no hydrogen 2.866 N/A GLY 197.A N LEU 159.A O no hydrogen 2.710 N/A ASP 198.A N SER 160.A OG no hydrogen 3.061 N/A PHE 199.A N TYR 39.A O no hydrogen 2.832 N/A ILE 200.A N CYS 161.A O no hydrogen 2.742 N/A HIS 201.A N ALA 37.A O no hydrogen 2.744 N/A HIS 201.A NE2 GLN 165.A OE1 no hydrogen 2.646 N/A THR 202.A N LEU 163.A O no hydrogen 2.797 N/A LEU 203.A N MET 35.A O no hydrogen 2.988 N/A GLY 204.A N GLN 165.A O no hydrogen 2.790 N/A ASP 205.A N ARG 166.A O no hydrogen 3.059 N/A ALA 206.A N VAL 32.A O no hydrogen 2.889 N/A HIS 207.A N GLY 168.A O no hydrogen 2.946 N/A HIS 207.A ND1 ASP 205.A O no hydrogen 3.020 N/A ILE 208.A N LEU 30.A O no hydrogen 2.870 N/A TYR 209.A OH ASP 23.A OD2 no hydrogen 2.673 N/A LEU 210.A N GLY 28.A O no hydrogen 3.306 N/A HIS 212.A N TYR 209.A O no hydrogen 2.860 N/A ILE 213.A N LEU 210.A O no hydrogen 3.282 N/A LEU 216.A N HIS 212.A O no hydrogen 2.910 N/A LYS 217.A N ILE 213.A O no hydrogen 2.914 N/A ILE 218.A N GLU 214.A O no hydrogen 3.234 N/A GLN 219.A N PRO 215.A O no hydrogen 2.930 N/A GLN 219.A NE2 THR 50.A OG1 no hydrogen 2.682 N/A LEU 220.A N LEU 216.A O no hydrogen 2.788 N/A GLN 221.A N ILE 218.A O no hydrogen 3.055 N/A ARG 222.A N GLN 219.A O no hydrogen 3.061 N/A ARG 222.A NH2 THR 50.A O no hydrogen 2.827 N/A ARG 222.A NH2 PRO 256.A O no hydrogen 2.798 N/A ARG 225.A N THR 49.A OG1 no hydrogen 2.927 N/A ARG 225.A NH2 ASN 253.A O no hydrogen 2.881 N/A LYS 229.A N GLU 250.A O no hydrogen 3.015 N/A LYS 229.A NZ ASP 43.A O no hydrogen 2.709 N/A ARG 231.A N GLN 248.A O no hydrogen 2.894 N/A ARG 231.A NE GLU 250.A OE1 no hydrogen 2.400 N/A ARG 231.A NH1 GLU 250.A OE1 no hydrogen 3.106 N/A LEU 233.A N ASP 246.A O no hydrogen 2.755 N/A ARG 234.A NE ASP 246.A OD1 no hydrogen 2.985 N/A ARG 234.A NE ASP 246.A OD2 no hydrogen 3.368 N/A ARG 234.A NH2 ASP 246.A OD2 no hydrogen 3.114 N/A VAL 236.A N HIS 190.A NE2 no hydrogen 2.969 N/A ASP 241.A N LYS 238.A O no hydrogen 2.776 N/A LYS 243.A N ASP 246.A OD2 no hydrogen 2.899 N/A ASP 246.A N LYS 243.A O no hydrogen 3.040 N/A PHE 247.A N ALA 244.A O no hydrogen 3.256 N/A GLN 248.A N ARG 231.A O no hydrogen 2.946 N/A GLU 250.A N LYS 229.A O no hydrogen 2.897 N/A TYR 252.A OH LEU 48.A O no hydrogen 2.679 N/A HIS 255.A N THR 49.A O no hydrogen 2.774 N/A HIS 255.A NE2 GLU 223.A O no hydrogen 2.911 N/A