Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5lbu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASP 94.A OD2 no hydrogen 2.792 N/A VAL 4.A N THR 34.A O no hydrogen 2.744 N/A LEU 5.A N LEU 95.A O no hydrogen 3.014 N/A ILE 6.A N THR 36.A O no hydrogen 2.905 N/A VAL 7.A N ILE 97.A O no hydrogen 2.825 N/A TYR 8.A N SER 38.A O no hydrogen 2.960 N/A ALA 9.A N GLN 99.A O no hydrogen 2.960 N/A GLN 11.A N GLN 11.A OE1 no hydrogen 2.817 N/A GLN 11.A NE2 TYR 103.A OH no hydrogen 3.088 N/A GLU 12.A N HIS 10.A ND1 no hydrogen 3.061 N/A LYS 14.A N GLU 12.A OE2 no hydrogen 3.066 N/A SER 15.A N GLU 12.A O no hydrogen 3.151 N/A SER 15.A OG GLU 12.A O no hydrogen 2.714 N/A ASN 17.A ND2 THR 146.A OG1 no hydrogen 2.762 N/A GLY 18.A N SER 15.A OG no hydrogen 2.895 N/A SER 19.A N SER 15.A O no hydrogen 2.902 N/A SER 19.A OG SER 15.A O no hydrogen 3.391 N/A LEU 20.A N PHE 16.A O no hydrogen 2.920 N/A LYS 21.A N ASN 17.A O no hydrogen 2.877 N/A LYS 21.A NZ ASN 22.A OD1 no hydrogen 2.658 N/A ASN 22.A N GLY 18.A O no hydrogen 2.950 N/A VAL 23.A N SER 19.A O no hydrogen 2.974 N/A ALA 24.A N LEU 20.A O no hydrogen 3.106 N/A VAL 25.A N LYS 21.A O no hydrogen 2.994 N/A ASP 26.A N ASN 22.A O no hydrogen 2.802 N/A GLU 27.A N VAL 23.A O no hydrogen 2.919 N/A LEU 28.A N ALA 24.A O no hydrogen 2.946 N/A SER 29.A N VAL 25.A O no hydrogen 2.804 N/A ARG 30.A N.A ASP 26.A O no hydrogen 2.900 N/A ARG 30.A N.B ASP 26.A O no hydrogen 2.901 N/A ARG 30.A NE.A GLU 27.A OE1 no hydrogen 2.921 N/A ARG 30.A NE.B GLU 27.A OE1 no hydrogen 3.332 N/A ARG 30.A NH2.A GLU 27.A OE1 no hydrogen 3.497 N/A ARG 30.A NH2.A GLU 27.A OE2 no hydrogen 2.757 N/A ARG 30.A NH2.B GLU 27.A OE1 no hydrogen 2.709 N/A GLN 31.A N GLU 27.A O no hydrogen 3.024 N/A GLN 31.A NE2 GLU 27.A OE2 no hydrogen 2.831 N/A GLN 31.A NE2 LEU 210.A O no hydrogen 2.851 N/A GLY 32.A N SER 29.A O no hydrogen 3.005 N/A CYS 33.A N LEU 28.A O no hydrogen 3.004 N/A CYS 33.A SG GLN 31.A OE1 no hydrogen 3.763 N/A THR 34.A N LYS 2.A O no hydrogen 2.901 N/A THR 36.A N VAL 4.A O no hydrogen 2.972 N/A SER 38.A N ILE 6.A O no hydrogen 2.854 N/A SER 38.A OG GLU 86.A OE1 no hydrogen 2.679 N/A SER 38.A OG GLU 86.A OE2 no hydrogen 3.375 N/A LEU 40.A N TYR 8.A O no hydrogen 3.006 N/A ALA 42.A N ASP 39.A OD1 no hydrogen 3.194 N/A MET 43.A N ASP 39.A O no hydrogen 2.877 N/A ASN 44.A N TYR 41.A O no hydrogen 2.997 N/A LEU 45.A N LEU 40.A O no hydrogen 3.005 N/A ARG 48.A N GLU 46.A OE2 no hydrogen 2.936 N/A ARG 48.A NH1 GLU 46.A OE2 no hydrogen 2.999 N/A LYS 52.A N THR 50.A OG1 no hydrogen 3.218 N/A LYS 52.A NZ THR 50.A OG1 no hydrogen 2.782 N/A ASP 53.A N THR 50.A O no hydrogen 2.962 N/A ILE 54.A N ASP 51.A O no hydrogen 3.360 N/A THR 55.A N SER 78.A O no hydrogen 2.746 N/A SER 59.A N GLU 69.A OE1 no hydrogen 2.762 N/A ASN 60.A N GLU 69.A OE2 no hydrogen 2.723 N/A GLU 62.A N ASN 60.A OD1 no hydrogen 2.987 N/A VAL 63.A N ASN 60.A OD1 no hydrogen 3.279 N/A TYR 66.A OH ASP 53.A OD2 no hydrogen 2.591 N/A VAL 68.A N ASN 65.A OD1 no hydrogen 3.079 N/A GLU 69.A N ASN 65.A O no hydrogen 2.928 N/A THR 70.A N TYR 66.A O no hydrogen 2.964 N/A THR 70.A OG1 TYR 66.A O no hydrogen 2.910 N/A THR 70.A OG1 GLY 67.A O no hydrogen 3.230 N/A HIS 71.A N GLY 67.A O no hydrogen 3.067 N/A GLU 72.A N VAL 68.A O no hydrogen 3.061 N/A ALA 73.A N GLU 69.A O no hydrogen 2.848 N/A TYR 74.A N THR 70.A O no hydrogen 2.799 N/A LYS 75.A N HIS 71.A O no hydrogen 3.172 N/A LYS 75.A NZ GLU 72.A OE2 no hydrogen 2.759 N/A GLN 76.A N GLU 72.A O no hydrogen 2.879 N/A ARG 77.A N TYR 74.A O no hydrogen 3.223 N/A SER 78.A N ALA 73.A O no hydrogen 2.815 N/A SER 78.A OG ALA 73.A O no hydrogen 3.531 N/A ALA 80.A N ASP 53.A O no hydrogen 2.871 N/A ILE 83.A N ASP 82.A OD1 no hydrogen 2.780 N/A THR 84.A N ALA 80.A O no hydrogen 3.077 N/A THR 84.A OG1 ALA 80.A O no hydrogen 3.411 N/A THR 84.A OG1 SER 81.A O no hydrogen 3.269 N/A ASP 85.A N SER 81.A O no hydrogen 2.813 N/A GLU 86.A N ASP 82.A O no hydrogen 3.220 N/A GLN 87.A N ILE 83.A O no hydrogen 2.940 N/A GLN 87.A NE2 VAL 118.A O no hydrogen 2.966 N/A LYS 88.A N THR 84.A O no hydrogen 3.033 N/A LYS 89.A N ASP 85.A O no hydrogen 3.390 N/A LYS 89.A NZ GLU 86.A OE2 no hydrogen 2.735 N/A VAL 90.A N GLU 86.A O no hydrogen 2.992 N/A ARG 91.A N GLN 87.A O no hydrogen 2.765 N/A ARG 91.A NH2 TYR 74.A OH no hydrogen 3.290 N/A GLU 92.A N LYS 88.A O no hydrogen 3.174 N/A ALA 93.A N LYS 89.A O no hydrogen 3.186 N/A ALA 93.A N VAL 90.A O no hydrogen 3.100 N/A ASP 94.A N LYS 3.A O no hydrogen 2.818 N/A LEU 95.A N LYS 3.A O no hydrogen 3.227 N/A VAL 96.A N LEU 140.A O no hydrogen 2.866 N/A ILE 97.A N LEU 5.A O no hydrogen 2.846 N/A PHE 98.A N LEU 142.A O no hydrogen 2.865 N/A GLN 99.A N VAL 7.A O no hydrogen 2.893 N/A GLN 99.A NE2 ASN 17.A OD1 no hydrogen 2.887 N/A PHE 100.A N SER 144.A O no hydrogen 3.077 N/A LEU 102.A N THR 146.A O no hydrogen 2.810 N/A TYR 103.A N SER 106.A O no hydrogen 2.910 N/A SER 106.A N TYR 103.A O no hydrogen 3.014 N/A VAL 107.A N SER 106.A OG no hydrogen 2.669 N/A LYS 112.A N PRO 108.A O no hydrogen 2.930 N/A LYS 112.A NZ ASP 116.A OD1 no hydrogen 2.797 N/A GLY 113.A N ALA 109.A O no hydrogen 2.765 N/A TRP 114.A N ILE 110.A O no hydrogen 3.126 N/A TRP 114.A NE1 GLU 86.A OE1 no hydrogen 2.816 N/A MET 115.A N LEU 111.A O no hydrogen 3.014 N/A ASP 116.A N LYS 112.A O no hydrogen 2.858 N/A ARG 117.A N GLY 113.A O no hydrogen 2.891 N/A ARG 117.A NE ASP 53.A OD1 no hydrogen 3.325 N/A ARG 117.A NE ASP 53.A OD2 no hydrogen 3.040 N/A ARG 117.A NH1 ASP 82.A OD2 no hydrogen 2.984 N/A ARG 117.A NH2 ASP 53.A OD1 no hydrogen 2.796 N/A ARG 117.A NH2 ASP 82.A OD1 no hydrogen 3.169 N/A ARG 117.A NH2 ASP 82.A OD2 no hydrogen 2.948 N/A VAL 118.A N TRP 114.A O no hydrogen 2.806 N/A LEU 119.A N MET 115.A O no hydrogen 3.291 N/A CYS 120.A N VAL 118.A O no hydrogen 2.935 N/A CYS 120.A SG GLN 121.A O no hydrogen 3.529 N/A GLN 121.A NE2 ASP 126.A OD1 no hydrogen 3.176 N/A GLY 122.A N PHE 125.A O no hydrogen 2.760 N/A PHE 123.A N CYS 120.A O no hydrogen 3.058 N/A ALA 124.A N CYS 120.A O no hydrogen 2.950 N/A ASP 126.A N GLY 129.A O no hydrogen 3.095 N/A ILE 127.A N ASP 126.A OD1 no hydrogen 2.974 N/A TYR 131.A N PHE 177.A O no hydrogen 2.815 N/A TYR 131.A OH HIS 172.A NE2 no hydrogen 3.262 N/A SER 133.A N PHE 130.A O no hydrogen 3.061 N/A SER 133.A OG.A PHE 130.A O no hydrogen 2.835 N/A GLY 134.A N TYR 131.A O no hydrogen 2.877 N/A LEU 135.A N ALA 124.A O no hydrogen 3.112 N/A LEU 136.A N CYS 178.A O no hydrogen 2.839 N/A GLN 137.A N GLY 134.A O no hydrogen 3.069 N/A GLN 137.A NE2 ASP 132.A O no hydrogen 2.872 N/A LYS 139.A N LEU 136.A O no hydrogen 3.161 N/A LYS 139.A NZ VAL 90.A O no hydrogen 3.199 N/A LYS 139.A NZ ARG 91.A O no hydrogen 2.668 N/A LYS 139.A NZ ALA 93.A O no hydrogen 2.718 N/A LEU 140.A N ASP 94.A O no hydrogen 2.884 N/A ALA 141.A N LYS 181.A O no hydrogen 2.988 N/A LEU 142.A N VAL 96.A O no hydrogen 2.958 N/A SER 144.A N PHE 98.A O no hydrogen 2.765 N/A SER 144.A OG GLN 99.A OE1 no hydrogen 2.625 N/A VAL 145.A N GLN 186.A O no hydrogen 2.866 N/A THR 146.A N PHE 100.A O no hydrogen 3.063 N/A THR 147.A N SER 188.A O no hydrogen 3.232 N/A THR 147.A OG1 GLY 149.A O no hydrogen 2.621 N/A GLU 152.A N GLU 152.A OE1 no hydrogen 2.801 N/A MET 153.A N THR 150.A O no hydrogen 3.073 N/A TYR 154.A N ALA 151.A O no hydrogen 3.002 N/A THR 155.A OG1 GLU 152.A O no hydrogen 3.380 N/A GLY 158.A N THR 155.A O no hydrogen 3.117 N/A GLY 158.A N THR 155.A OG1 no hydrogen 3.108 N/A GLY 161.A N GLY 158.A O no hydrogen 3.168 N/A SER 163.A N TYR 154.A O no hydrogen 3.395 N/A ARG 164.A N ASP 162.A OD1 no hydrogen 3.100 N/A ARG 164.A NH1 TRP 225.A O no hydrogen 2.835 N/A TYR 165.A N ASP 162.A O no hydrogen 2.990 N/A LEU 167.A N SER 163.A O no hydrogen 3.392 N/A LEU 167.A N ARG 164.A O no hydrogen 3.247 N/A TRP 168.A N TYR 165.A O no hydrogen 3.318 N/A LEU 170.A N LEU 167.A O no hydrogen 3.095 N/A GLN 171.A N LEU 167.A O no hydrogen 2.792 N/A GLN 171.A NE2 HIS 226.A NE2 no hydrogen 3.163 N/A HIS 172.A N TRP 168.A O no hydrogen 2.937 N/A GLY 173.A N TRP 168.A O no hydrogen 3.106 N/A THR 174.A OG1 PRO 169.A O no hydrogen 2.936 N/A LEU 175.A N LEU 170.A O no hydrogen 2.928 N/A HIS 176.A N GLN 171.A O no hydrogen 2.725 N/A HIS 176.A NE2 ASP 132.A OD1 no hydrogen 2.644 N/A PHE 177.A N HIS 172.A O no hydrogen 3.120 N/A CYS 178.A N THR 174.A O no hydrogen 3.118 N/A CYS 178.A SG THR 174.A O no hydrogen 3.348 N/A GLY 179.A N HIS 176.A O no hydrogen 2.842 N/A PHE 180.A N LEU 175.A O no hydrogen 3.033 N/A LYS 181.A N LYS 139.A O no hydrogen 2.935 N/A LEU 183.A N ALA 141.A O no hydrogen 2.880 N/A GLN 186.A N LEU 143.A O no hydrogen 2.886 N/A SER 188.A N VAL 145.A O no hydrogen 2.876 N/A ALA 190.A N THR 147.A OG1 no hydrogen 3.206 N/A ILE 193.A N ALA 190.A O no hydrogen 3.135 N/A ALA 194.A N ALA 190.A O no hydrogen 2.821 N/A SER 195.A N GLU 198.A OE1 no hydrogen 3.066 N/A GLU 197.A N GLU 197.A OE1.A no hydrogen 2.773 N/A GLU 198.A N SER 195.A OG no hydrogen 3.114 N/A ARG 199.A N SER 195.A O no hydrogen 2.912 N/A ARG 199.A NE.A PRO 191.A O no hydrogen 3.120 N/A ARG 199.A NH1.A GLU 196.A OE1 no hydrogen 2.462 N/A ARG 199.A NH1.B PRO 191.A O no hydrogen 2.958 N/A ARG 199.A NH2.B GLU 196.A OE1 no hydrogen 2.922 N/A LYS 200.A N GLU 196.A O no hydrogen 2.979 N/A GLY 201.A N GLU 197.A O no hydrogen 2.987 N/A MET 202.A N GLU 198.A O no hydrogen 2.986 N/A VAL 203.A N ARG 199.A O no hydrogen 2.966 N/A ALA 204.A N LYS 200.A O no hydrogen 2.851 N/A ALA 205.A N GLY 201.A O no hydrogen 2.862 N/A TRP 206.A N MET 202.A O no hydrogen 3.191 N/A TRP 206.A NE1 LEU 20.A O no hydrogen 3.063 N/A SER 207.A N VAL 203.A O no hydrogen 2.950 N/A GLN 208.A N ALA 204.A O no hydrogen 2.892 N/A ARG 209.A N ALA 205.A O no hydrogen 2.897 N/A ARG 209.A NE GLU 216.A OE2 no hydrogen 2.750 N/A ARG 209.A NH1 ALA 184.A O no hydrogen 2.828 N/A ARG 209.A NH1 GLN 186.A OE1 no hydrogen 3.029 N/A ARG 209.A NH2 ALA 184.A O no hydrogen 2.694 N/A ARG 209.A NH2 GLU 216.A OE1 no hydrogen 2.806 N/A LEU 210.A N TRP 206.A O no hydrogen 2.997 N/A GLN 211.A N SER 207.A O no hydrogen 3.399 N/A GLN 211.A N GLN 208.A O no hydrogen 3.128 N/A THR 212.A N ARG 209.A O no hydrogen 3.101 N/A THR 212.A OG1 ARG 209.A O no hydrogen 3.554 N/A ILE 213.A N LEU 210.A O no hydrogen 3.354 N/A LYS 215.A N THR 212.A O no hydrogen 2.930 N/A GLU 216.A N ILE 213.A O no hydrogen 3.381 N/A ILE 219.A N VAL 182.A O no hydrogen 2.790 N/A CYS 221.A SG HIS 172.A ND1 no hydrogen 3.873 N/A CYS 221.A SG HIS 176.A ND1 no hydrogen 3.821 N/A THR 222.A N PRO 220.A O no hydrogen 2.875 N/A TRP 225.A N THR 222.A OG1 no hydrogen 2.925 N/A HIS 226.A N THR 222.A O no hydrogen 3.277 N/A HIS 226.A ND1 THR 222.A O no hydrogen 2.828 N/A PHE 227.A N ALA 223.A O no hydrogen 2.840 N/A GLY 228.A N HIS 224.A O no hydrogen 2.848 N/A