Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ls3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A NZ VAL 3.A O no hydrogen 2.625 N/A LYS 5.A NZ GLY 108.A O no hydrogen 3.526 N/A MET 8.A N GLY 31.A O no hydrogen 3.028 N/A LYS 9.A N ASP 109.A O.A no hydrogen 2.728 N/A LYS 9.A N ASP 109.A O.B no hydrogen 2.907 N/A ILE 10.A N GLY 29.A O no hydrogen 2.939 N/A LYS 11.A N TYR 111.A O no hydrogen 2.895 N/A LEU 12.A N GLY 27.A O no hydrogen 2.981 N/A ARG 13.A N CYS 113.A O no hydrogen 3.044 N/A ARG 13.A NE GLU 15.A OE2 no hydrogen 2.927 N/A ARG 13.A NH1 GLU 15.A OE2 no hydrogen 3.122 N/A ARG 13.A NH1 GLU 46.A OE2 no hydrogen 3.014 N/A ARG 13.A NH2 GLU 26.A OE2 no hydrogen 2.776 N/A MET 14.A N ILE 25.A O no hydrogen 2.768 N/A GLU 15.A N ILE 115.A O no hydrogen 2.978 N/A GLY 16.A N PHE 23.A O no hydrogen 2.991 N/A ALA 17.A N PHE 117.A O no hydrogen 2.919 N/A VAL 18.A N HIS 21.A O.A no hydrogen 3.093 N/A VAL 18.A N HIS 21.A O.B no hydrogen 3.214 N/A ASN 19.A N GLY 119.A O no hydrogen 2.804 N/A ASN 19.A ND2 PHE 122.A O no hydrogen 3.079 N/A HIS 21.A N.A VAL 18.A O no hydrogen 3.073 N/A HIS 21.A N.B VAL 18.A O no hydrogen 2.790 N/A HIS 21.A NE2.B GLY 47.A O no hydrogen 2.684 N/A PHE 23.A N GLY 16.A O no hydrogen 2.905 N/A ALA 24.A N GLU 46.A O no hydrogen 3.109 N/A ILE 25.A N MET 14.A O no hydrogen 2.917 N/A GLU 26.A N LYS 43.A O no hydrogen 2.937 N/A GLY 27.A N LEU 12.A O no hydrogen 2.968 N/A VAL 28.A N ASP 41.A O no hydrogen 3.174 N/A GLY 29.A N ILE 10.A O no hydrogen 2.965 N/A LEU 30.A N SER 39.A O no hydrogen 2.944 N/A GLY 31.A N MET 8.A O no hydrogen 2.884 N/A LYS 32.A N LYS 37.A O no hydrogen 2.764 N/A LYS 32.A NZ ASP 7.A OD1 no hydrogen 2.816 N/A GLU 35.A N LYS 32.A O no hydrogen 3.104 N/A LYS 37.A N LYS 32.A O no hydrogen 3.442 N/A GLN 38.A N GLU 208.A O no hydrogen 3.009 N/A GLN 38.A NE2 GLU 208.A OE1 no hydrogen 2.927 N/A SER 39.A N LEU 30.A O no hydrogen 2.959 N/A SER 39.A OG HIS 207.A NE2.B no hydrogen 3.123 N/A MET 40.A N LEU 206.A O.A no hydrogen 2.833 N/A MET 40.A N LEU 206.A O.B no hydrogen 2.819 N/A ASP 41.A N VAL 28.A O no hydrogen 2.936 N/A LEU 42.A N VAL 204.A O no hydrogen 2.757 N/A LYS 43.A N GLU 26.A O no hydrogen 2.807 N/A VAL 44.A N SER 202.A O no hydrogen 2.869 N/A LYS 45.A N ALA 24.A O no hydrogen 2.808 N/A GLU 46.A N ALA 24.A O no hydrogen 3.173 N/A ALA 53.A N VAL 128.A O no hydrogen 2.934 N/A ILE 56.A N ALA 53.A O no hydrogen 3.257 N/A LEU 57.A N TYR 54.A O no hydrogen 2.853 N/A THR 58.A OG1 ASP 55.A O no hydrogen 3.427 N/A ALA 60.A N LEU 57.A O no hydrogen 3.156 N/A PHE 61.A N LEU 57.A O no hydrogen 3.398 N/A ARG 63.A NE GLU 141.A OE1 no hydrogen 3.139 N/A ARG 63.A NH1 TYR 174.A OH no hydrogen 2.907 N/A VAL 64.A N ASN 62.A OD1 no hydrogen 3.161 N/A PHE 65.A N ASN 62.A O no hydrogen 3.043 N/A LYS 67.A N ALA 210.A O no hydrogen 2.909 N/A LYS 67.A NZ GLU 211.A OE2.A no hydrogen 3.019 N/A TYR 68.A OH HIS 186.A NE2 no hydrogen 2.758 N/A ILE 72.A N PRO 69.A O no hydrogen 3.354 N/A PHE 76.A N ASP 74.A OD1 no hydrogen 3.185 N/A LYS 77.A N ASP 74.A OD1 no hydrogen 3.010 N/A LYS 77.A NZ PRO 33.A O no hydrogen 3.016 N/A LYS 77.A NZ VAL 64.A O no hydrogen 3.017 N/A LYS 77.A NZ ALA 66.A O no hydrogen 2.857 N/A LYS 77.A NZ ASP 74.A OD2 no hydrogen 3.181 N/A GLN 78.A N.A ASP 74.A O no hydrogen 3.339 N/A GLN 78.A N.B ASP 74.A O no hydrogen 3.342 N/A GLN 78.A NE2.A ASP 74.A O no hydrogen 3.078 N/A GLN 78.A NE2.A GLN 181.A O no hydrogen 2.965 N/A SER 79.A N PHE 76.A O no hydrogen 3.177 N/A SER 79.A OG PHE 76.A O no hydrogen 2.869 N/A PHE 80.A N LYS 77.A O no hydrogen 3.463 N/A GLU 82.A N GLU 82.A OE1 no hydrogen 2.703 N/A GLY 83.A N SER 79.A O no hydrogen 2.778 N/A TYR 84.A N ILE 104.A O no hydrogen 3.258 N/A TYR 84.A OH ASN 62.A OD1 no hydrogen 2.707 N/A SER 85.A N LYS 175.A O no hydrogen 3.013 N/A TRP 86.A N ASN 102.A O no hydrogen 2.887 N/A GLU 87.A N THR 173.A O no hydrogen 2.989 N/A ARG 88.A N ALA 100.A O no hydrogen 2.870 N/A ARG 88.A NE THR 172.A OG1 no hydrogen 2.835 N/A ARG 88.A NH1 MET 59.A O.A no hydrogen 2.743 N/A ARG 88.A NH1 MET 59.A O.B no hydrogen 3.179 N/A ARG 88.A NH2 TYR 174.A OH no hydrogen 3.483 N/A SER 89.A N.A LYS 171.A O no hydrogen 2.880 N/A SER 89.A N.B LYS 171.A O no hydrogen 2.876 N/A SER 89.A OG.A ASN 99.A OD1.A no hydrogen 2.846 N/A MET 90.A N CYS 98.A O no hydrogen 2.804 N/A ILE 91.A N ASP 169.A O no hydrogen 2.853 N/A TYR 92.A N GLY 96.A O no hydrogen 2.841 N/A GLU 93.A N ARG 167.A O no hydrogen 2.967 N/A GLY 95.A N TYR 92.A O no hydrogen 2.991 N/A ILE 97.A N VAL 120.A O no hydrogen 3.065 N/A CYS 98.A N MET 90.A O no hydrogen 2.894 N/A ASN 99.A N.A ASP 118.A O no hydrogen 2.815 N/A ASN 99.A N.B ASP 118.A O no hydrogen 2.841 N/A ALA 100.A N ARG 88.A O no hydrogen 2.906 N/A THR 101.A N ARG 116.A O no hydrogen 2.916 N/A ASN 102.A N TRP 86.A O no hydrogen 3.026 N/A ASP 103.A N GLU 114.A O no hydrogen 3.060 N/A ILE 104.A N TYR 84.A O no hydrogen 2.900 N/A THR 105.A N ILE 112.A O no hydrogen 3.003 N/A ASP 107.A N CYS 110.A O no hydrogen 2.960 N/A CYS 110.A N ASP 107.A O no hydrogen 2.917 N/A CYS 110.A SG TYR 111.A O no hydrogen 3.551 N/A TYR 111.A N LYS 9.A O no hydrogen 2.884 N/A ILE 112.A N THR 105.A O no hydrogen 2.830 N/A CYS 113.A N LYS 11.A O no hydrogen 2.884 N/A GLU 114.A N ASP 103.A O no hydrogen 3.123 N/A ILE 115.A N ARG 13.A O no hydrogen 2.919 N/A ARG 116.A N THR 101.A O no hydrogen 2.947 N/A ARG 116.A NE ASP 118.A OD2 no hydrogen 2.851 N/A ARG 116.A NH1 ASP 118.A OD1 no hydrogen 2.869 N/A PHE 117.A N GLU 15.A O no hydrogen 2.998 N/A ASP 118.A N ASN 99.A O.A no hydrogen 2.796 N/A ASP 118.A N ASN 99.A O.B no hydrogen 2.814 N/A GLY 119.A N ALA 17.A O no hydrogen 2.845 N/A VAL 120.A N ILE 97.A O no hydrogen 2.962 N/A PHE 122.A N ASN 19.A OD1 no hydrogen 3.162 N/A GLY 126.A N PRO 123.A O no hydrogen 3.002 N/A GLN 130.A N GLY 126.A O no hydrogen 3.032 N/A GLN 130.A NE2 ALA 124.A O no hydrogen 2.726 N/A LYS 131.A N VAL 128.A O no hydrogen 3.257 N/A LYS 131.A NZ LEU 50.A O no hydrogen 2.971 N/A ARG 132.A N PRO 127.A O no hydrogen 2.886 N/A ARG 132.A NH1.A ASN 125.A O no hydrogen 3.301 N/A ARG 132.A NH2.A ASN 125.A O no hydrogen 2.603 N/A ARG 132.A NH2.B ASN 125.A O no hydrogen 3.506 N/A THR 133.A OG1 ASP 55.A OD2 no hydrogen 2.770 N/A VAL 134.A N SER 159.A O no hydrogen 2.845 N/A LYS 135.A NZ TRP 136.A O no hydrogen 3.530 N/A TRP 136.A NE1 ASP 55.A O no hydrogen 2.856 N/A GLU 137.A N ALA 157.A O no hydrogen 2.974 N/A SER 139.A N HIS 190.A O no hydrogen 3.029 N/A SER 139.A OG.A GLU 137.A O no hydrogen 3.265 N/A SER 139.A OG.B HIS 190.A O no hydrogen 3.468 N/A THR 140.A OG1 ASP 189.A OD1 no hydrogen 2.958 N/A GLU 141.A N VAL 188.A O no hydrogen 2.775 N/A LYS 142.A N ASP 153.A O.A no hydrogen 2.909 N/A LYS 142.A N ASP 153.A O.B no hydrogen 3.015 N/A LYS 142.A NZ SER 187.A OG no hydrogen 2.539 N/A LEU 143.A N HIS 186.A O no hydrogen 2.829 N/A TYR 144.A N LYS 151.A O no hydrogen 2.920 N/A ARG 146.A N VAL 149.A O no hydrogen 2.977 N/A VAL 149.A N ARG 146.A O no hydrogen 3.036 N/A LEU 150.A N TYR 174.A O no hydrogen 3.212 N/A LYS 151.A N TYR 144.A O no hydrogen 2.759 N/A LYS 151.A NZ THR 173.A OG1 no hydrogen 2.814 N/A SER 152.A N THR 172.A O no hydrogen 2.830 N/A SER 152.A OG GLU 141.A OE2 no hydrogen 2.576 N/A ASP 153.A N.A LYS 142.A O no hydrogen 3.032 N/A ASP 153.A N.B LYS 142.A O no hydrogen 3.091 N/A GLY 154.A N PHE 170.A O no hydrogen 3.001 N/A ASN 155.A N ASN 155.A OD1.B no hydrogen 2.539 N/A ASN 155.A ND2.A ASP 169.A OD1 no hydrogen 2.675 N/A TYR 156.A N CYS 168.A O no hydrogen 2.861 N/A LEU 158.A N TYR 166.A O no hydrogen 2.841 N/A SER 159.A N LYS 135.A O no hydrogen 2.880 N/A SER 159.A OG LYS 135.A O no hydrogen 3.404 N/A LEU 160.A N GLY 164.A O no hydrogen 2.966 N/A GLU 161.A N ARG 132.A O no hydrogen 2.768 N/A GLY 163.A N LEU 160.A O no hydrogen 2.958 N/A HIS 165.A NE2 GLU 137.A OE2 no hydrogen 2.744 N/A TYR 166.A N LEU 158.A O no hydrogen 2.831 N/A TYR 166.A OH ASP 94.A OD1 no hydrogen 2.615 N/A TYR 166.A OH ASP 94.A OD2 no hydrogen 3.400 N/A ARG 167.A N GLU 93.A OE2 no hydrogen 2.803 N/A ARG 167.A NH1 TYR 156.A O no hydrogen 2.831 N/A ARG 167.A NH1 CYS 168.A O no hydrogen 3.088 N/A ARG 167.A NH1 ASP 169.A OD1 no hydrogen 3.263 N/A ARG 167.A NH2 ASP 169.A OD1 no hydrogen 2.928 N/A CYS 168.A N TYR 156.A O no hydrogen 2.946 N/A CYS 168.A SG ASP 169.A O no hydrogen 3.967 N/A ASP 169.A N ILE 91.A O no hydrogen 2.902 N/A PHE 170.A N GLY 154.A O no hydrogen 2.970 N/A LYS 171.A N SER 89.A O.A no hydrogen 2.893 N/A LYS 171.A N SER 89.A O.B no hydrogen 2.848 N/A LYS 171.A NZ ASP 153.A OD1.A no hydrogen 3.115 N/A THR 172.A N SER 152.A O no hydrogen 2.926 N/A THR 173.A N GLU 87.A O no hydrogen 2.896 N/A TYR 174.A N LEU 150.A O no hydrogen 2.732 N/A TYR 174.A OH GLU 141.A OE2 no hydrogen 2.572 N/A LYS 175.A N SER 85.A O no hydrogen 2.830 N/A LYS 175.A NZ GLU 87.A OE2 no hydrogen 2.800 N/A ALA 176.A N TYR 75.A OH no hydrogen 2.778 N/A LYS 177.A N GLY 83.A O no hydrogen 2.916 N/A LYS 177.A NZ ASP 103.A OD1 no hydrogen 2.976 N/A LYS 177.A NZ ILE 104.A O no hydrogen 3.198 N/A LYS 178.A NZ PHE 80.A O no hydrogen 3.148 N/A LYS 178.A NZ GLU 82.A OE1 no hydrogen 3.002 N/A GLN 181.A N GLN 78.A OE1.A no hydrogen 2.952 N/A GLN 181.A N GLN 78.A OE1.B no hydrogen 3.086 N/A HIS 186.A N LEU 143.A O no hydrogen 3.133 N/A HIS 186.A ND1 ASP 184.A O no hydrogen 2.932 N/A HIS 186.A NE2 TYR 68.A OH no hydrogen 2.758 N/A SER 187.A N HIS 213.A O no hydrogen 2.880 N/A VAL 188.A N GLU 141.A O no hydrogen 2.871 N/A ASP 189.A N GLU 211.A O no hydrogen 2.902 N/A HIS 190.A N SER 139.A O no hydrogen 2.836 N/A HIS 190.A ND1 GLU 208.A OE2 no hydrogen 3.027 N/A HIS 190.A NE2 GLU 141.A OE1 no hydrogen 2.842 N/A HIS 191.A N HIS 209.A O no hydrogen 2.892 N/A GLU 193.A N HIS 207.A O.A no hydrogen 2.943 N/A GLU 193.A N HIS 207.A O.B no hydrogen 2.874 N/A ILE 195.A N ASN 205.A O no hydrogen 2.750 N/A SER 196.A N ASN 205.A O no hydrogen 3.495 N/A HIS 197.A ND1 ASP 198.A O no hydrogen 2.818 N/A ASP 198.A N ASN 203.A O no hydrogen 3.028 N/A TYR 201.A N ASP 198.A O no hydrogen 2.985 N/A SER 202.A N ASP 200.A OD1 no hydrogen 3.359 N/A SER 202.A OG ASP 200.A OD1 no hydrogen 3.167 N/A ASN 203.A N ASP 198.A OD1 no hydrogen 2.802 N/A ASN 203.A ND2 ASP 198.A OD2 no hydrogen 3.029 N/A VAL 204.A N LEU 42.A O no hydrogen 2.998 N/A ASN 205.A N SER 196.A O no hydrogen 2.872 N/A ASN 205.A ND2 ASP 41.A OD1 no hydrogen 2.578 N/A LEU 206.A N.A MET 40.A O no hydrogen 2.856 N/A LEU 206.A N.B MET 40.A O no hydrogen 2.827 N/A HIS 207.A N.A GLU 193.A O no hydrogen 2.846 N/A HIS 207.A N.B GLU 193.A O no hydrogen 2.895 N/A GLU 208.A N GLN 38.A O no hydrogen 2.972 N/A HIS 209.A N HIS 191.A O no hydrogen 2.950 N/A HIS 209.A ND1 GLY 36.A O no hydrogen 2.733 N/A ALA 210.A N GLY 36.A O no hydrogen 2.769 N/A GLU 211.A N ASP 189.A O no hydrogen 3.050 N/A ALA 212.A N LYS 67.A O no hydrogen 2.885 N/A HIS 213.A N SER 187.A O no hydrogen 2.871 N/A SER 214.A N GLU 215.A OE2 no hydrogen 3.119 N/A SER 214.A OG GLU 215.A OE2 no hydrogen 3.535 N/A