Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mwr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N THR 3.A OG1 no hydrogen 2.811 N/A LYS 7.A N THR 3.A O no hydrogen 2.773 N/A PHE 8.A N ALA 4.A O no hydrogen 3.033 N/A GLU 9.A N ALA 5.A O no hydrogen 3.177 N/A ARG 10.A N ALA 6.A O no hydrogen 2.913 N/A ARG 10.A NE GLU 2.A OE1 no hydrogen 3.446 N/A ARG 10.A NE GLU 2.A OE2 no hydrogen 2.775 N/A ARG 10.A NH1 ARG 33.A O no hydrogen 2.935 N/A ARG 10.A NH2 GLU 2.A OE1 no hydrogen 2.911 N/A GLN 11.A N LYS 7.A O no hydrogen 2.951 N/A HIS 12.A N PHE 8.A O no hydrogen 2.786 N/A HIS 12.A ND1 THR 45.A O no hydrogen 2.859 N/A MET 13.A N GLU 9.A O no hydrogen 3.072 N/A ASP 14.A N VAL 47.A O no hydrogen 2.936 N/A SER 15.A OG GLU 49.A O no hydrogen 3.069 N/A THR 17.A OG1 ASP 14.A OD2 no hydrogen 2.867 N/A THR 17.A OG1 ALA 19.A O no hydrogen 3.517 N/A THR 17.A OG1 HIS 48.A ND1 no hydrogen 2.957 N/A ALA 20.A N GLN 101.A OE1 no hydrogen 2.582 N/A ASN 24.A N SER 22.A OG no hydrogen 2.638 N/A TYR 25.A N SER 22.A O no hydrogen 3.047 N/A TYR 25.A OH ASP 14.A OD2 no hydrogen 2.441 N/A CYS 26.A N THR 99.A OG1 no hydrogen 2.950 N/A CYS 26.A SG ASP 83.A O no hydrogen 3.554 N/A CYS 26.A SG LYS 98.A O no hydrogen 4.024 N/A CYS 26.A SG THR 99.A OG1 no hydrogen 3.229 N/A ASN 27.A ND2 ASN 24.A OD1 no hydrogen 2.923 N/A GLN 28.A N ASN 24.A O no hydrogen 3.112 N/A MET 29.A N TYR 25.A O no hydrogen 2.884 N/A MET 30.A N CYS 26.A O no hydrogen 2.882 N/A LYS 31.A NZ THR 36.A OG1 no hydrogen 2.763 N/A LYS 31.A NZ PRO 93.A O no hydrogen 2.803 N/A SER 32.A N GLN 28.A O no hydrogen 2.945 N/A SER 32.A OG GLN 28.A O no hydrogen 2.792 N/A SER 32.A OG MET 29.A O no hydrogen 3.064 N/A ARG 33.A N MET 29.A O no hydrogen 2.927 N/A ARG 33.A NH1 ARG 10.A O no hydrogen 2.745 N/A ARG 33.A NH1 MET 13.A O no hydrogen 2.824 N/A ARG 33.A NH2 MET 13.A O no hydrogen 3.059 N/A ASN 34.A N LYS 31.A O no hydrogen 2.942 N/A LEU 35.A N MET 30.A O no hydrogen 2.791 N/A LYS 41.A N LEU 35.A O no hydrogen 3.193 N/A LYS 41.A NZ ASN 44.A OD1 no hydrogen 2.926 N/A ASN 44.A N CYS 84.A O no hydrogen 2.960 N/A ASN 44.A ND2 GLN 11.A O no hydrogen 2.889 N/A THR 45.A OG1 ASP 83.A OD1 no hydrogen 2.747 N/A PHE 46.A N THR 82.A O no hydrogen 2.933 N/A VAL 47.A N HIS 12.A O no hydrogen 2.689 N/A HIS 48.A N SER 80.A O no hydrogen 2.601 N/A HIS 48.A NE2 THR 82.A OG1 no hydrogen 2.660 N/A ASP 53.A N SER 50.A OG no hydrogen 3.083 N/A VAL 54.A N SER 50.A O no hydrogen 3.084 N/A GLN 55.A N LEU 51.A O no hydrogen 2.841 N/A ALA 56.A N ALA 52.A O no hydrogen 2.904 N/A VAL 57.A N VAL 54.A O no hydrogen 3.091 N/A CYS 58.A N GLN 55.A O no hydrogen 3.047 N/A CYS 58.A SG TYR 115.A O no hydrogen 3.848 N/A SER 59.A N.A ALA 56.A O no hydrogen 2.920 N/A SER 59.A N.B ALA 56.A O no hydrogen 2.923 N/A SER 59.A OG.A ALA 56.A O no hydrogen 2.830 N/A GLN 60.A N VAL 57.A O no hydrogen 2.954 N/A LYS 61.A N GLN 74.A O no hydrogen 3.223 N/A ASN 62.A ND2 THR 70.A O no hydrogen 2.939 N/A ASN 62.A ND2 CYS 72.A O no hydrogen 2.826 N/A VAL 63.A N CYS 72.A O no hydrogen 2.860 N/A CYS 65.A N GLN 69.A O no hydrogen 2.807 N/A LYS 66.A N ASP 121.A OD1 no hydrogen 3.015 N/A LYS 66.A NZ ASP 121.A O no hydrogen 3.419 N/A ASN 67.A ND2 GLN 69.A OE1 no hydrogen 2.699 N/A GLY 68.A N CYS 65.A O no hydrogen 2.913 N/A GLN 69.A N ASN 67.A OD1 no hydrogen 2.817 N/A TYR 73.A N VAL 108.A O no hydrogen 2.823 N/A TYR 73.A OH TYR 115.A OH no hydrogen 2.804 N/A GLN 74.A N LYS 61.A O no hydrogen 2.733 N/A SER 75.A N ILE 106.A O no hydrogen 2.933 N/A SER 75.A OG SER 77.A O no hydrogen 2.683 N/A TYR 76.A N GLN 60.A OE1 no hydrogen 2.929 N/A MET 79.A N LYS 104.A O no hydrogen 2.774 N/A SER 80.A N GLU 49.A OE2 no hydrogen 2.782 N/A SER 80.A OG SER 18.A O no hydrogen 2.598 N/A ILE 81.A N ALA 102.A O no hydrogen 2.996 N/A THR 82.A N PHE 46.A O no hydrogen 2.839 N/A THR 82.A OG1 HIS 48.A NE2 no hydrogen 2.660 N/A THR 82.A OG1 GLN 101.A OE1 no hydrogen 2.594 N/A ASP 83.A N THR 100.A O no hydrogen 2.850 N/A CYS 84.A N ASN 44.A O no hydrogen 2.650 N/A ARG 85.A N LYS 98.A O no hydrogen 3.123 N/A GLU 86.A N PRO 42.A O no hydrogen 2.882 N/A THR 87.A N ALA 96.A O no hydrogen 2.817 N/A SER 90.A N THR 87.A OG1 no hydrogen 2.897 N/A SER 90.A OG GLU 86.A OE2 no hydrogen 2.617 N/A SER 90.A OG ALA 96.A O no hydrogen 3.525 N/A TYR 92.A OH LYS 37.A O no hydrogen 2.643 N/A CYS 95.A N PRO 93.A O no hydrogen 2.878 N/A CYS 95.A SG PRO 93.A O no hydrogen 3.615 N/A ALA 96.A N SER 90.A OG no hydrogen 2.843 N/A TYR 97.A N ASN 27.A OD1 no hydrogen 2.635 N/A TYR 97.A OH LYS 41.A O no hydrogen 2.785 N/A LYS 98.A N ARG 85.A O no hydrogen 2.616 N/A THR 99.A OG1 SER 23.A O no hydrogen 3.235 N/A THR 100.A N ASP 83.A O no hydrogen 2.975 N/A ALA 102.A N ILE 81.A O no hydrogen 3.165 N/A LYS 104.A N MET 79.A O no hydrogen 3.188 N/A HIS 105.A N VAL 124.A O no hydrogen 2.772 N/A HIS 105.A ND1 SER 75.A O no hydrogen 2.871 N/A ILE 106.A N SER 75.A OG no hydrogen 3.136 N/A ILE 107.A N ALA 122.A O no hydrogen 2.826 N/A VAL 108.A N TYR 73.A O no hydrogen 2.957 N/A ALA 109.A N HIS 119.A O no hydrogen 2.895 N/A CYS 110.A N ASN 71.A O no hydrogen 2.934 N/A GLU 111.A N VAL 116.A O no hydrogen 2.939 N/A TYR 115.A OH TYR 73.A OH no hydrogen 2.804 N/A VAL 116.A N GLU 111.A O no hydrogen 3.094 N/A VAL 118.A N ALA 109.A O no hydrogen 2.800 N/A HIS 119.A N ALA 109.A O no hydrogen 3.364 N/A ASP 121.A N ILE 107.A O no hydrogen 2.768 N/A ALA 122.A N ILE 107.A O no hydrogen 3.253 N/A VAL 124.A N HIS 105.A O no hydrogen 2.658 N/A ALA 134.A N THR 131.A OG1 no hydrogen 3.008 N/A LYS 135.A N THR 131.A O no hydrogen 2.972 N/A PHE 136.A N ALA 132.A O no hydrogen 3.016 N/A GLU 137.A N ALA 133.A O no hydrogen 3.151 N/A ARG 138.A N ALA 134.A O no hydrogen 3.011 N/A ARG 138.A NE GLU 130.A OE1 no hydrogen 3.461 N/A ARG 138.A NE GLU 130.A OE2 no hydrogen 2.890 N/A ARG 138.A NH1 ARG 161.A O no hydrogen 2.909 N/A ARG 138.A NH2 GLU 130.A OE1 no hydrogen 2.983 N/A GLN 139.A N LYS 135.A O no hydrogen 2.904 N/A HIS 140.A N PHE 136.A O no hydrogen 2.770 N/A MET 141.A N GLU 137.A O no hydrogen 3.035 N/A ASP 142.A N VAL 175.A O no hydrogen 2.952 N/A SER 143.A OG GLU 177.A O no hydrogen 2.855 N/A SER 144.A N ASP 142.A OD1 no hydrogen 3.274 N/A SER 144.A OG ASP 142.A OD1 no hydrogen 2.625 N/A THR 145.A OG1 ALA 147.A O no hydrogen 3.046 N/A ALA 148.A N GLN 229.A OE1 no hydrogen 3.018 N/A ASN 152.A N SER 150.A OG no hydrogen 3.314 N/A TYR 153.A N SER 150.A O no hydrogen 3.291 N/A TYR 153.A OH ASP 142.A OD2 no hydrogen 2.452 N/A CYS 154.A N THR 227.A OG1 no hydrogen 3.050 N/A CYS 154.A SG ASP 211.A O.A no hydrogen 3.685 N/A CYS 154.A SG ASP 211.A O.B no hydrogen 3.903 N/A CYS 154.A SG LYS 226.A O no hydrogen 3.922 N/A CYS 154.A SG THR 227.A OG1 no hydrogen 3.150 N/A ASN 155.A ND2 TYR 225.A O no hydrogen 3.466 N/A GLN 156.A N ASN 152.A O no hydrogen 3.168 N/A MET 157.A N TYR 153.A O no hydrogen 2.858 N/A MET 158.A N CYS 154.A O no hydrogen 2.849 N/A SER 160.A N GLN 156.A O no hydrogen 2.790 N/A SER 160.A OG GLN 156.A O no hydrogen 3.236 N/A SER 160.A OG MET 157.A O no hydrogen 3.301 N/A ARG 161.A N MET 157.A O no hydrogen 2.890 N/A ARG 161.A NH1 ARG 138.A O no hydrogen 2.814 N/A ARG 161.A NH1 MET 141.A O no hydrogen 2.806 N/A ARG 161.A NH2 MET 141.A O no hydrogen 3.093 N/A ASN 162.A N LYS 159.A O no hydrogen 2.871 N/A ASN 162.A ND2 LYS 159.A O no hydrogen 3.591 N/A LEU 163.A N MET 158.A O no hydrogen 2.814 N/A LYS 169.A N LEU 163.A O no hydrogen 3.167 N/A LYS 169.A NZ GLN 139.A OE1 no hydrogen 3.497 N/A LYS 169.A NZ ASN 172.A OD1 no hydrogen 2.740 N/A ASN 172.A N CYS 212.A O no hydrogen 2.907 N/A ASN 172.A ND2 GLN 139.A O no hydrogen 2.905 N/A THR 173.A OG1 ASP 211.A OD1.A no hydrogen 2.626 N/A PHE 174.A N THR 210.A O no hydrogen 2.949 N/A VAL 175.A N HIS 140.A O no hydrogen 2.719 N/A HIS 176.A N SER 208.A O no hydrogen 2.695 N/A HIS 176.A NE2 THR 210.A OG1 no hydrogen 2.579 N/A ASP 181.A N SER 178.A OG no hydrogen 3.014 N/A VAL 182.A N SER 178.A O no hydrogen 3.086 N/A GLN 183.A N LEU 179.A O no hydrogen 2.732 N/A ALA 184.A N ALA 180.A O no hydrogen 2.939 N/A VAL 185.A N VAL 182.A O no hydrogen 3.014 N/A CYS 186.A N GLN 183.A O no hydrogen 3.160 N/A CYS 186.A SG GLN 183.A O no hydrogen 3.728 N/A CYS 186.A SG TYR 243.A O no hydrogen 3.685 N/A SER 187.A N ALA 184.A O no hydrogen 2.996 N/A GLN 188.A N VAL 185.A O no hydrogen 2.941 N/A LYS 189.A N.A GLN 202.A O no hydrogen 3.366 N/A LYS 189.A N.B GLN 202.A O no hydrogen 3.357 N/A ASN 190.A ND2 THR 198.A O no hydrogen 3.047 N/A ASN 190.A ND2 CYS 200.A O no hydrogen 2.866 N/A VAL 191.A N CYS 200.A O no hydrogen 2.867 N/A CYS 193.A N GLN 197.A O no hydrogen 2.721 N/A CYS 193.A SG GLN 197.A O no hydrogen 3.586 N/A LYS 194.A N ASP 249.A OD1 no hydrogen 3.389 N/A LYS 194.A N ASP 249.A OD2 no hydrogen 3.104 N/A LYS 194.A NZ ASP 249.A O no hydrogen 3.170 N/A ASN 195.A ND2 GLN 197.A OE1 no hydrogen 3.160 N/A GLY 196.A N CYS 193.A O no hydrogen 2.966 N/A GLN 197.A N ASN 195.A OD1 no hydrogen 2.753 N/A CYS 200.A SG VAL 236.A O no hydrogen 3.725 N/A TYR 201.A N VAL 236.A O no hydrogen 2.885 N/A TYR 201.A OH TYR 243.A OH no hydrogen 2.778 N/A GLN 202.A N LYS 189.A O.A no hydrogen 2.790 N/A GLN 202.A N LYS 189.A O.B no hydrogen 2.759 N/A GLN 202.A NE2 SER 203.A O no hydrogen 3.139 N/A SER 203.A N ILE 234.A O no hydrogen 2.890 N/A SER 203.A OG SER 205.A O no hydrogen 2.723 N/A SER 203.A OG ILE 234.A O no hydrogen 3.567 N/A TYR 204.A N GLN 188.A OE1 no hydrogen 2.850 N/A MET 207.A N LYS 232.A O no hydrogen 2.755 N/A SER 208.A N GLU 177.A OE2 no hydrogen 2.784 N/A SER 208.A OG SER 146.A O no hydrogen 2.586 N/A ILE 209.A N ALA 230.A O no hydrogen 2.901 N/A THR 210.A N PHE 174.A O no hydrogen 2.819 N/A THR 210.A OG1 HIS 176.A NE2 no hydrogen 2.579 N/A THR 210.A OG1 GLN 229.A OE1 no hydrogen 2.537 N/A ASP 211.A N.A THR 228.A O no hydrogen 2.763 N/A ASP 211.A N.B THR 228.A O no hydrogen 2.752 N/A CYS 212.A N ASN 172.A O no hydrogen 2.761 N/A ARG 213.A N LYS 226.A O no hydrogen 3.245 N/A GLU 214.A N PRO 170.A O no hydrogen 2.771 N/A THR 215.A N ALA 224.A O no hydrogen 2.934 N/A SER 218.A N THR 215.A O no hydrogen 3.248 N/A SER 218.A OG GLU 214.A OE2 no hydrogen 2.724 N/A SER 218.A OG ALA 224.A O no hydrogen 3.479 N/A TYR 220.A OH LYS 165.A O no hydrogen 2.866 N/A ASN 222.A N LYS 219.A O no hydrogen 2.628 N/A ALA 224.A N SER 218.A OG no hydrogen 2.820 N/A TYR 225.A OH LYS 169.A O no hydrogen 2.649 N/A LYS 226.A N ARG 213.A O no hydrogen 2.846 N/A LYS 226.A NZ THR 227.A O no hydrogen 3.312 N/A THR 227.A OG1 SER 151.A O no hydrogen 3.149 N/A THR 228.A N ASP 211.A O.A no hydrogen 2.986 N/A THR 228.A N ASP 211.A O.B no hydrogen 3.045 N/A GLN 229.A NE2 SER 208.A OG no hydrogen 2.745 N/A ALA 230.A N ILE 209.A O no hydrogen 2.950 N/A LYS 232.A N MET 207.A O no hydrogen 3.072 N/A HIS 233.A N VAL 252.A O no hydrogen 2.937 N/A HIS 233.A ND1 SER 203.A O no hydrogen 2.934 N/A ILE 234.A N SER 203.A OG no hydrogen 2.951 N/A ILE 235.A N ALA 250.A O no hydrogen 2.693 N/A VAL 236.A N TYR 201.A O no hydrogen 3.037 N/A ALA 237.A N HIS 247.A O no hydrogen 2.852 N/A CYS 238.A N ASN 199.A O no hydrogen 2.890 N/A GLU 239.A N VAL 244.A O no hydrogen 2.923 N/A TYR 243.A OH TYR 201.A OH no hydrogen 2.778 N/A VAL 244.A N GLU 239.A O no hydrogen 3.388 N/A VAL 246.A N ALA 237.A O no hydrogen 2.751 N/A HIS 247.A N ALA 237.A O no hydrogen 3.371 N/A ASP 249.A N ILE 235.A O no hydrogen 2.768 N/A ALA 250.A N ILE 235.A O no hydrogen 3.222 N/A VAL 252.A N HIS 233.A O no hydrogen 2.814 N/A