Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dcb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N TRP 204.A O no hydrogen 2.849 N/A ALA 7.A N LEU 202.A O no hydrogen 3.013 N/A ARG 8.A N ASP 6.A OD1 no hydrogen 2.987 N/A ARG 8.A NE ASP 6.A OD1 no hydrogen 3.038 N/A ARG 8.A NE ASP 6.A OD2 no hydrogen 3.269 N/A ARG 8.A NH2 ASP 6.A OD2 no hydrogen 2.892 N/A GLU 9.A N ASP 6.A O no hydrogen 2.948 N/A GLN 10.A N ASP 6.A O no hydrogen 3.055 N/A TRP 11.A N ALA 7.A O no hydrogen 3.053 N/A CYS 14.A N TRP 11.A O no hydrogen 3.076 N/A THR 16.A OG1 ASP 40.A OD1 no hydrogen 2.698 N/A ILE 17.A N CYS 14.A O no hydrogen 3.136 N/A LYS 18.A N PRO 15.A O no hydrogen 3.003 N/A GLU 19.A N THR 16.A O no hydrogen 3.013 N/A ARG 21.A NH1 VAL 52.A O no hydrogen 3.013 N/A ARG 21.A NH2 VAL 52.A O no hydrogen 3.220 N/A GLN 23.A N SER 218.A O no hydrogen 2.982 N/A GLN 23.A NE2 CYS 26.A O no hydrogen 2.807 N/A GLY 24.A N ASP 22.A OD2 no hydrogen 2.750 N/A SER 25.A OG THR 118.A OG1 no hydrogen 3.411 N/A CYS 26.A N GLY 24.A O no hydrogen 2.895 N/A CYS 26.A SG SER 28.A OG no hydrogen 3.363 N/A GLY 27.A N CYS 69.A O no hydrogen 2.918 N/A SER 28.A OG TYR 101.A OH no hydrogen 3.016 N/A CYS 29.A SG HIS 197.A ND1 no hydrogen 3.567 N/A TRP 30.A NE1 GLY 68.A O no hydrogen 2.940 N/A PHE 32.A N SER 28.A O no hydrogen 3.008 N/A GLY 33.A N CYS 29.A O no hydrogen 2.885 N/A VAL 35.A N ALA 31.A O no hydrogen 2.965 N/A GLU 36.A N PHE 32.A O no hydrogen 2.997 N/A ALA 37.A N GLY 33.A O no hydrogen 3.287 N/A ILE 38.A N ALA 34.A O no hydrogen 2.831 N/A SER 39.A N VAL 35.A O no hydrogen 2.900 N/A SER 39.A OG VAL 35.A O no hydrogen 2.654 N/A SER 39.A OG VAL 50.A O no hydrogen 3.405 N/A ASP 40.A N GLU 36.A O no hydrogen 3.046 N/A ARG 41.A N ALA 37.A O no hydrogen 2.861 N/A ARG 41.A NE PRO 167.A O no hydrogen 2.893 N/A ARG 41.A NH1 TYR 149.A OH no hydrogen 3.267 N/A ARG 41.A NH1 GLU 161.A OE2 no hydrogen 3.129 N/A ARG 41.A NH1 GLY 247.A O no hydrogen 2.834 N/A ARG 41.A NH2 GLU 161.A OE2 no hydrogen 2.726 N/A ARG 41.A NH2 GLY 166.A O no hydrogen 3.036 N/A ILE 42.A N ILE 38.A O no hydrogen 2.852 N/A CYS 43.A N SER 39.A O no hydrogen 3.300 N/A CYS 43.A SG ASN 13.A O no hydrogen 3.362 N/A CYS 43.A SG ASN 47.A OD1 no hydrogen 3.595 N/A CYS 43.A SG ASN 49.A OD1 no hydrogen 4.037 N/A ILE 44.A N ASP 40.A O no hydrogen 2.897 N/A HIS 45.A N ARG 41.A O no hydrogen 2.808 N/A HIS 45.A ND1 ARG 41.A O no hydrogen 3.224 N/A SER 46.A OG ILE 42.A O no hydrogen 2.421 N/A SER 46.A OG VAL 48.A O no hydrogen 3.374 N/A VAL 48.A N SER 46.A OG no hydrogen 2.691 N/A VAL 52.A N SER 39.A OG no hydrogen 3.024 N/A SER 53.A N VAL 87.A O no hydrogen 2.954 N/A SER 53.A OG ARG 99.A O no hydrogen 2.692 N/A ASP 56.A N SER 53.A OG no hydrogen 2.919 N/A MET 57.A N SER 53.A O no hydrogen 3.380 N/A LEU 58.A N ALA 54.A O no hydrogen 2.801 N/A THR 59.A N GLU 55.A O no hydrogen 2.929 N/A THR 59.A OG1 GLU 55.A O no hydrogen 2.679 N/A THR 59.A OG1 LYS 125.A O no hydrogen 3.506 N/A CYS 60.A N ASP 56.A O no hydrogen 3.015 N/A CYS 60.A SG ASP 56.A OD2 no hydrogen 3.749 N/A CYS 60.A SG TYR 138.A OH no hydrogen 3.881 N/A CYS 61.A N MET 57.A O no hydrogen 3.403 N/A CYS 61.A SG GLY 62.A O no hydrogen 4.005 N/A CYS 61.A SG GLU 64.A OE1 no hydrogen 3.609 N/A CYS 65.A N GLY 62.A O no hydrogen 2.911 N/A CYS 65.A SG GLU 64.A OE1 no hydrogen 3.834 N/A GLY 66.A N GLY 63.A O no hydrogen 2.952 N/A ASP 67.A N GLY 71.A O no hydrogen 2.846 N/A CYS 69.A N THR 123.A OG1 no hydrogen 2.775 N/A ASN 70.A N ASP 67.A O no hydrogen 2.789 N/A GLY 71.A N GLY 68.A O no hydrogen 3.188 N/A PHE 73.A N CYS 65.A O no hydrogen 2.728 N/A GLY 76.A N PHE 73.A O no hydrogen 2.891 N/A ALA 77.A N PHE 73.A O no hydrogen 3.172 N/A ALA 77.A N PRO 74.A O no hydrogen 2.860 N/A TRP 78.A N PRO 74.A O no hydrogen 3.263 N/A TRP 78.A NE1 GLU 169.A OE2 no hydrogen 2.875 N/A ASN 79.A N SER 75.A O no hydrogen 3.172 N/A ASN 79.A ND2 GLU 64.A OE2 no hydrogen 3.242 N/A PHE 80.A N GLY 76.A O no hydrogen 3.070 N/A TRP 81.A N ALA 77.A O no hydrogen 3.195 N/A THR 82.A N TRP 78.A O no hydrogen 3.273 N/A THR 82.A OG1 ASN 79.A O no hydrogen 2.771 N/A LYS 83.A N ASN 79.A O no hydrogen 2.831 N/A LYS 83.A NZ THR 82.A OG1 no hydrogen 2.831 N/A LYS 84.A N PHE 80.A O no hydrogen 2.761 N/A GLY 85.A N PHE 80.A O no hydrogen 3.023 N/A LEU 86.A N HIS 143.A O no hydrogen 2.875 N/A VAL 87.A N ASP 56.A OD1 no hydrogen 3.102 N/A SER 88.A N ASP 141.A OD2 no hydrogen 2.860 N/A SER 88.A OG TYR 134.A OH no hydrogen 3.202 N/A SER 88.A OG ASP 141.A OD2 no hydrogen 2.823 N/A GLY 89.A N GLU 51.A O no hydrogen 2.707 N/A GLY 90.A N VAL 96.A O no hydrogen 2.717 N/A SER 94.A N LEU 91.A O no hydrogen 3.034 N/A SER 94.A OG LEU 91.A O no hydrogen 2.593 N/A VAL 96.A N SER 94.A OG no hydrogen 3.171 N/A CYS 98.A N SER 88.A OG no hydrogen 3.075 N/A CYS 98.A SG THR 129.A O no hydrogen 3.928 N/A ARG 99.A N SER 88.A O no hydrogen 2.838 N/A ARG 99.A NH1 ASP 56.A OD2 no hydrogen 3.100 N/A ARG 99.A NH1 THR 59.A OG1 no hydrogen 3.291 N/A ARG 99.A NH2 THR 59.A OG1 no hydrogen 3.057 N/A ARG 99.A NH2 LYS 125.A O no hydrogen 3.100 N/A TYR 101.A N GLY 90.A O no hydrogen 2.917 N/A TYR 101.A OH GLN 23.A O no hydrogen 2.638 N/A TYR 101.A OH SER 28.A OG no hydrogen 3.016 N/A SER 102.A N GLU 55.A OE1 no hydrogen 2.994 N/A SER 102.A OG GLU 55.A OE1 no hydrogen 3.192 N/A SER 102.A OG GLU 55.A OE2 no hydrogen 2.670 N/A CYS 106.A N ASP 22.A OD1 no hydrogen 3.006 N/A CYS 106.A SG SER 25.A OG no hydrogen 3.610 N/A CYS 106.A SG HIS 108.A NE2 no hydrogen 3.702 N/A GLU 107.A N PRO 115.A O no hydrogen 2.878 N/A HIS 108.A NE2 ASP 22.A OD2 no hydrogen 2.663 N/A ARG 114.A N GLU 107.A OE2 no hydrogen 2.893 N/A ARG 114.A NH1 CYS 106.A O no hydrogen 2.606 N/A CYS 117.A N GLU 107.A O no hydrogen 3.118 N/A THR 118.A N SER 25.A OG no hydrogen 2.901 N/A THR 118.A OG1 SER 25.A OG no hydrogen 3.411 N/A THR 118.A OG1 GLU 120.A O no hydrogen 3.226 N/A SER 127.A OG THR 129.A OG1 no hydrogen 2.874 N/A THR 129.A OG1 SER 127.A OG no hydrogen 2.874 N/A CYS 130.A SG PRO 136.A O no hydrogen 3.734 N/A GLU 131.A N CYS 98.A O no hydrogen 2.819 N/A TYR 134.A N GLU 131.A O no hydrogen 3.312 N/A TYR 134.A OH ASP 141.A OD1 no hydrogen 2.590 N/A SER 137.A N GLU 140.A OE1 no hydrogen 3.326 N/A SER 137.A OG GLU 140.A OE1 no hydrogen 3.122 N/A TYR 138.A OH ASP 56.A OD2 no hydrogen 2.586 N/A GLU 140.A N SER 137.A OG no hydrogen 3.179 N/A ASP 141.A N SER 137.A O no hydrogen 2.902 N/A ASP 141.A N TYR 138.A O no hydrogen 3.124 N/A LYS 142.A N LYS 139.A O no hydrogen 3.432 N/A LYS 142.A NZ ASP 56.A OD1 no hydrogen 2.811 N/A LYS 142.A NZ LYS 84.A O no hydrogen 3.514 N/A LYS 142.A NZ GLY 85.A O no hydrogen 2.792 N/A LYS 142.A NZ TYR 138.A OH no hydrogen 3.124 N/A HIS 143.A N LEU 86.A O no hydrogen 2.771 N/A GLY 145.A N TRP 81.A O no hydrogen 3.012 N/A CYS 146.A N MET 248.A O no hydrogen 2.686 N/A SER 148.A OG ASN 79.A OD1 no hydrogen 2.851 N/A TYR 149.A N ALA 246.A O no hydrogen 2.957 N/A TYR 149.A OH GLU 161.A OE2 no hydrogen 2.677 N/A VAL 151.A N ILE 244.A O no hydrogen 2.918 N/A ASN 153.A ND2 ASP 236.A OD2 no hydrogen 3.314 N/A ASN 154.A N ALA 152.A O no hydrogen 2.660 N/A GLU 157.A N ASN 154.A OD1 no hydrogen 2.938 N/A ILE 158.A N ASN 154.A O no hydrogen 2.916 N/A MET 159.A N GLU 155.A O no hydrogen 2.921 N/A ALA 160.A N LYS 156.A O no hydrogen 2.876 N/A GLU 161.A N GLU 157.A O no hydrogen 2.994 N/A ILE 162.A N ILE 158.A O no hydrogen 3.111 N/A TYR 163.A N MET 159.A O no hydrogen 2.822 N/A LYS 164.A N ALA 160.A O no hydrogen 2.984 N/A ASN 165.A N GLU 161.A O no hydrogen 2.759 N/A ASN 165.A ND2 HIS 45.A NE2 no hydrogen 3.346 N/A GLY 166.A N ILE 162.A O no hydrogen 2.822 N/A VAL 168.A N ILE 201.A O no hydrogen 3.098 N/A GLU 169.A N VAL 245.A O no hydrogen 3.069 N/A GLY 170.A N ILE 199.A O no hydrogen 2.926 N/A PHE 172.A N HIS 197.A O no hydrogen 3.079 N/A SER 173.A N CYS 238.A O no hydrogen 2.829 N/A VAL 174.A N GLY 195.A O no hydrogen 2.875 N/A SER 176.A N GLU 192.A O no hydrogen 2.958 N/A PHE 178.A N TYR 175.A O no hydrogen 2.983 N/A LEU 179.A N SER 176.A O no hydrogen 3.122 N/A TYR 181.A N PHE 178.A O no hydrogen 3.016 N/A TYR 181.A OH GLY 184.A O no hydrogen 2.553 N/A TYR 186.A N LYS 230.A O no hydrogen 2.763 N/A TYR 186.A OH ASP 177.A OD2 no hydrogen 2.614 N/A VAL 189.A N ASP 177.A OD1 no hydrogen 2.847 N/A SER 190.A N ASP 177.A OD1 no hydrogen 3.157 N/A MET 194.A N VAL 174.A O no hydrogen 2.593 N/A HIS 197.A N PHE 172.A O no hydrogen 2.911 N/A HIS 197.A NE2 ASN 217.A OD1 no hydrogen 2.815 N/A ILE 199.A N GLY 170.A O no hydrogen 2.824 N/A ARG 200.A N GLY 216.A O no hydrogen 3.352 N/A ARG 200.A NH1 ILE 17.A O no hydrogen 2.917 N/A ARG 200.A NH1 ASP 40.A OD2 no hydrogen 2.809 N/A ARG 200.A NH2 ILE 17.A O no hydrogen 2.967 N/A ILE 201.A N VAL 168.A O no hydrogen 2.942 N/A LEU 202.A N LEU 214.A O no hydrogen 2.990 N/A TRP 204.A N PHE 5.A O no hydrogen 2.879 N/A TRP 204.A NE1 PRO 2.A O no hydrogen 3.082 N/A GLY 205.A N TYR 212.A O no hydrogen 3.115 N/A GLU 207.A N THR 210.A O no hydrogen 2.920 N/A THR 210.A N GLU 207.A O no hydrogen 2.920 N/A TYR 212.A N GLY 205.A O no hydrogen 2.872 N/A TRP 213.A N ILE 231.A O no hydrogen 2.883 N/A TRP 213.A NE1 GLU 241.A OE2 no hydrogen 2.708 N/A LEU 214.A N GLY 203.A O no hydrogen 2.810 N/A VAL 215.A N PHE 229.A O no hydrogen 2.880 N/A GLY 216.A N ARG 200.A O no hydrogen 2.864 N/A ASN 217.A N GLY 227.A O no hydrogen 3.041 N/A SER 218.A N ASN 217.A OD1 no hydrogen 2.695 N/A SER 218.A OG GLN 23.A OE1 no hydrogen 2.655 N/A ASN 220.A N ARG 21.A O no hydrogen 3.076 N/A ASN 220.A ND2 ASP 22.A OD1 no hydrogen 2.969 N/A THR 221.A N ASN 220.A OD1 no hydrogen 2.678 N/A THR 221.A OG1 ASN 220.A OD1 no hydrogen 3.303 N/A TRP 223.A NE1 LEU 179.A O no hydrogen 3.058 N/A ASP 225.A N PHE 228.A O no hydrogen 2.930 N/A GLY 227.A N TRP 223.A O no hydrogen 2.884 N/A PHE 228.A N ASP 225.A O no hydrogen 2.966 N/A PHE 229.A N VAL 215.A O no hydrogen 2.876 N/A LYS 230.A N TYR 181.A OH no hydrogen 3.247 N/A LYS 230.A NZ GLU 207.A OE1 no hydrogen 2.996 N/A LYS 230.A NZ TYR 212.A OH no hydrogen 3.421 N/A ILE 231.A N TRP 213.A O no hydrogen 3.269 N/A LEU 232.A N TYR 186.A O no hydrogen 3.150 N/A ARG 233.A N PRO 211.A O no hydrogen 2.975 N/A ARG 233.A NE TYR 212.A O no hydrogen 3.005 N/A ARG 233.A NH1 GLU 155.A OE1 no hydrogen 2.614 N/A ARG 233.A NH2 GLY 205.A O no hydrogen 2.957 N/A GLY 234.A N GLU 241.A OE2 no hydrogen 2.914 N/A ASP 236.A N GLU 241.A OE1 no hydrogen 2.828 N/A CYS 238.A SG SER 173.A O no hydrogen 3.726 N/A GLY 239.A N ASP 236.A O no hydrogen 2.917 N/A ILE 240.A N HIS 237.A O no hydrogen 3.011 N/A GLU 241.A N ASP 236.A OD1 no hydrogen 2.978 N/A SER 242.A N GLY 239.A O no hydrogen 2.909 N/A SER 242.A OG GLY 239.A O no hydrogen 2.867 N/A VAL 245.A N GLU 169.A O no hydrogen 2.935 N/A ALA 246.A N TYR 149.A O no hydrogen 3.023 N/A MET 248.A N SER 147.A O no hydrogen 3.264 N/A MET 248.A N SER 147.A OG no hydrogen 3.010 N/A CYS 250.A N PHE 144.A O no hydrogen 3.118 N/A CYS 250.A SG PHE 144.A O no hydrogen 3.580 N/A