Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s9c_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N LYS 127.A O no hydrogen 2.817 N/A VAL 1.A N ASP 179.A OD2 no hydrogen 2.632 N/A VAL 2.A N ASP 174.A O no hydrogen 2.946 N/A ASP 5.A N CYS 139.A O no hydrogen 3.096 N/A CYS 7.A N PRO 137.A O no hydrogen 2.897 N/A ASN 8.A N GLU 11.A OE2 no hydrogen 2.701 N/A ASN 10.A N ASN 8.A OD1 no hydrogen 2.885 N/A GLU 11.A N ASN 8.A O no hydrogen 3.087 N/A HIS 12.A NE2 HIS 56.A ND1 no hydrogen 2.875 N/A LEU 15.A N HIS 12.A O no hydrogen 2.958 N/A VAL 16.A N GLY 30.A O no hydrogen 2.999 N/A ALA 17.A N LYS 52.A O no hydrogen 3.012 N/A LEU 18.A N CYS 28.A O no hydrogen 2.836 N/A TYR 19.A N ARG 50.A O no hydrogen 2.980 N/A SER 21.A N ASN 48.A O no hydrogen 3.113 N/A SER 23.A N THR 20.A O no hydrogen 3.465 N/A SER 23.A N THR 20.A OG1 no hydrogen 3.248 N/A THR 25.A N SER 23.A OG no hydrogen 2.936 N/A THR 25.A OG1 SER 23.A OG no hydrogen 2.994 N/A HIS 27.A N LEU 18.A O no hydrogen 2.984 N/A HIS 27.A NE2 CYS 44.A O no hydrogen 2.808 N/A CYS 28.A SG HIS 27.A O no hydrogen 2.960 N/A ALA 29.A N SER 180.A O no hydrogen 2.879 N/A GLY 30.A N VAL 16.A O no hydrogen 2.973 N/A ALA 31.A N LEU 39.A O no hydrogen 2.861 N/A LEU 32.A N PHE 14.A O no hydrogen 2.823 N/A ILE 33.A N TRP 37.A O no hydrogen 2.986 N/A GLU 36.A N ASN 34.A OD1 no hydrogen 2.754 N/A TRP 37.A N ASN 34.A O no hydrogen 3.494 N/A VAL 38.A N ILE 92.A O no hydrogen 2.837 N/A LEU 39.A N ALA 31.A O no hydrogen 2.809 N/A THR 40.A N MET 90.A O no hydrogen 2.988 N/A THR 40.A OG1 ALA 29.A O no hydrogen 2.759 N/A ALA 41.A N THR 40.A OG1 no hydrogen 2.710 N/A HIS 43.A N ASP 88.A OD1 no hydrogen 2.964 N/A HIS 43.A ND1 ASP 88.A OD2 no hydrogen 2.646 N/A CYS 44.A N ALA 41.A O no hydrogen 3.070 N/A ASP 45.A N ALA 42.A O no hydrogen 3.161 N/A ARG 46.A NH1 HIS 43.A O no hydrogen 3.073 N/A ARG 46.A NH1 ASP 45.A O no hydrogen 2.943 N/A ASN 48.A ND2 SER 21.A OG no hydrogen 3.055 N/A ARG 50.A N TYR 19.A O no hydrogen 2.870 N/A ARG 50.A NH2 ILE 49.A O no hydrogen 2.969 N/A ILE 51.A N ARG 68.A O no hydrogen 2.869 N/A LYS 52.A N ALA 17.A O no hydrogen 2.962 N/A LYS 52.A NZ GLU 65.A OE2 no hydrogen 2.456 N/A LEU 53.A N GLN 66.A O no hydrogen 2.770 N/A HIS 56.A ND1 HIS 12.A NE2 no hydrogen 2.875 N/A HIS 56.A NE2 GLU 6.A OE2 no hydrogen 2.784 N/A LYS 58.A N ASP 135.A O no hydrogen 2.692 N/A LYS 58.A NZ SER 24.A O no hydrogen 3.480 N/A ASN 59.A N SER 57.A OG no hydrogen 3.123 N/A ILE 60.A N SER 57.A OG no hydrogen 3.069 N/A ASN 62.A N GLU 65.A OE1 no hydrogen 3.064 N/A ASN 62.A ND2 GLY 54.A O no hydrogen 2.833 N/A ASP 64.A N ASP 64.A OD2 no hydrogen 2.583 N/A GLU 65.A N ASN 62.A O no hydrogen 3.138 N/A GLN 66.A N LEU 53.A O no hydrogen 2.835 N/A GLN 66.A NE2 ASP 64.A O no hydrogen 3.541 N/A ARG 68.A N ILE 51.A O no hydrogen 2.828 N/A ARG 68.A NE ARG 96.A O no hydrogen 2.877 N/A ARG 68.A NH1 GLN 66.A OE1 no hydrogen 2.980 N/A ARG 68.A NH1 ILE 67.A O no hydrogen 2.987 N/A ARG 68.A NH2 GLN 66.A OE1 no hydrogen 3.401 N/A ARG 68.A NH2 PRO 97.A O no hydrogen 2.956 N/A ARG 71.A N ARG 93.A O no hydrogen 2.745 N/A LYS 73.A NZ ASP 45.A OD2 no hydrogen 2.738 N/A LYS 73.A NZ ARG 46.A O no hydrogen 2.935 N/A TYR 74.A N LEU 91.A O no hydrogen 2.816 N/A ASN 78.A ND2 CYS 232E.A O no hydrogen 3.039 N/A THR 79.A OG1 PHE 81A.A O no hydrogen 2.820 N/A LYS 80.A N ASP 86.A OD2 no hydrogen 2.766 N/A LYS 80.A NZ PRO 234G.A O no hydrogen 3.196 N/A GLY 84.A N PHE 81A.A O no hydrogen 2.897 N/A LEU 85.A N ASN 83.A OD1 no hydrogen 2.934 N/A LYS 87.A N GLY 84.A O no hydrogen 2.985 N/A LYS 87.A NZ ASN 78.A O no hydrogen 2.626 N/A LYS 87.A NZ PRO 233F.A O no hydrogen 2.581 N/A LYS 87.A NZ PRO 234G.A O no hydrogen 2.971 N/A MET 90.A N THR 40.A O no hydrogen 2.955 N/A LEU 91.A N TYR 74.A O no hydrogen 2.923 N/A ILE 92.A N VAL 38.A O no hydrogen 2.810 N/A ARG 93.A N GLY 72.A O no hydrogen 2.863 N/A ARG 93.A NE GLU 36.A OE1 no hydrogen 3.253 N/A ARG 93.A NH2 GLU 36.A OE1 no hydrogen 3.024 N/A LEU 94.A N GLU 36.A O no hydrogen 2.720 N/A ARG 95.A N VAL 69.A O no hydrogen 2.879 N/A VAL 98.A N ARG 35.A O no hydrogen 2.801 N/A SER 101.A N ILE 104.A O no hydrogen 2.766 N/A SER 101.A OG ASP 64.A OD1 no hydrogen 2.620 N/A HIS 103.A N ASP 64.A OD1 no hydrogen 2.843 N/A HIS 103.A ND1 ASP 64.A OD2 no hydrogen 2.620 N/A ILE 104.A N SER 101.A O no hydrogen 3.077 N/A ALA 105.A N PRO 13.A O no hydrogen 3.110 N/A VAL 107.A N LEU 32.A O no hydrogen 2.971 N/A SER 108.A OG LEU 109.A O no hydrogen 2.607 N/A SER 111.A N GLU 189.A OE2 no hydrogen 2.837 N/A SER 111.A OG GLU 189.A OE1 no hydrogen 2.578 N/A SER 111.A OG GLU 189.A OE2 no hydrogen 3.290 N/A ARG 112.A NE SER 113.A O no hydrogen 3.235 N/A ARG 112.A NH2 SER 113.A O no hydrogen 3.369 N/A GLY 117.A N ILE 144.A O no hydrogen 2.916 N/A SER 118.A N GLY 115.A O no hydrogen 3.037 N/A SER 118.A OG GLY 115.A O no hydrogen 2.659 N/A CYS 120.A N ILE 142.A O no hydrogen 2.752 N/A CYS 120.A SG SER 118.A O no hydrogen 3.966 N/A ARG 121.A N ILE 185.A O no hydrogen 2.713 N/A ARG 121.A NE GLU 11.A OE1 no hydrogen 2.841 N/A ARG 121.A NH1 ASN 141.A OD1 no hydrogen 3.062 N/A ARG 121.A NH2 GLU 11.A OE1 no hydrogen 3.560 N/A ARG 121.A NH2 GLU 11.A OE2 no hydrogen 3.218 N/A ILE 122.A N THR 140.A O no hydrogen 2.931 N/A GLY 124.A N HIS 138.A O no hydrogen 3.122 N/A TRP 125.A NE1 HIS 56.A O no hydrogen 2.860 N/A GLY 126.A N ASP 179.A OD1 no hydrogen 2.836 N/A LYS 127.A N HIS 177.A O no hydrogen 2.836 N/A LYS 127.A NZ THR 130.A O no hydrogen 2.827 N/A ILE 128.A N THR 132.A O no hydrogen 2.842 N/A THR 131.A N SER 129.A OG no hydrogen 3.275 N/A THR 132.A N SER 129.A O no hydrogen 3.378 N/A HIS 138.A N GLY 124.A O no hydrogen 2.905 N/A HIS 138.A ND1 VAL 136.A O no hydrogen 2.870 N/A CYS 139.A N ASP 5.A O no hydrogen 2.800 N/A THR 140.A N ILE 122.A O no hydrogen 3.183 N/A ILE 142.A N CYS 120.A O no hydrogen 2.883 N/A PHE 143.A N GLY 167.A O no hydrogen 2.935 N/A ILE 144.A N SER 118.A O no hydrogen 3.013 N/A VAL 145.A N CYS 165.A O no hydrogen 2.860 N/A HIS 147.A ND1 GLU 151.A OE2 no hydrogen 3.173 N/A HIS 147.A NE2 THR 163.A O no hydrogen 2.967 N/A HIS 147.A NE2 THR 163.A OG1 no hydrogen 2.985 N/A TRP 149.A N LYS 146.A O no hydrogen 3.119 N/A CYS 150.A N HIS 147.A O no hydrogen 2.913 N/A CYS 150.A SG PRO 207.A O no hydrogen 3.977 N/A CYS 150.A SG ALA 208.A O no hydrogen 3.664 N/A GLU 151.A N HIS 147.A O no hydrogen 3.115 N/A LEU 153.A N CYS 150.A O no hydrogen 2.935 N/A TYR 154.A N CYS 150.A O no hydrogen 2.963 N/A TYR 154.A OH SER 198.A OG no hydrogen 2.693 N/A TYR 154.A OH PRO 207.A O no hydrogen 2.737 N/A VAL 157.A N TYR 154.A O no hydrogen 2.773 N/A SER 161.A N PRO 158.A O no hydrogen 2.900 N/A SER 161.A OG THR 163.A OG1 no hydrogen 2.840 N/A ARG 162.A NH1 ASP 215.A OD2 no hydrogen 3.413 N/A ARG 162.A NH2 PRO 234G.A OXT no hydrogen 2.408 N/A THR 163.A OG1 HIS 147.A NE2 no hydrogen 2.985 N/A THR 163.A OG1 SER 161.A OG no hydrogen 2.840 N/A LEU 164.A N TYR 210.A O no hydrogen 2.732 N/A CYS 165.A SG LYS 146.A O no hydrogen 3.791 N/A ALA 166.A N ALA 208.A O no hydrogen 2.860 N/A GLY 167.A N PHE 143.A O no hydrogen 2.871 N/A GLY 172.A N GLY 202.A O no hydrogen 2.667 N/A ASP 174.A N VAL 2.A O no hydrogen 3.219 N/A THR 175.A OG1 TYR 210.A OH no hydrogen 3.102 N/A CYS 176.A N ASP 179.A OD2 no hydrogen 2.807 N/A HIS 177.A NE2 GLU 199.A OE2 no hydrogen 3.105 N/A ASP 179.A N CYS 176.A O no hydrogen 2.896 N/A SER 180.A OG HIS 43.A NE2 no hydrogen 3.077 N/A SER 180.A OG ALA 195.A O no hydrogen 2.821 N/A GLY 181.A N VAL 194.A O no hydrogen 2.919 N/A GLY 182.A N ASP 179.A O no hydrogen 3.185 N/A LEU 184.A N GLY 192.A O no hydrogen 2.878 N/A ILE 185.A N ARG 121.A O no hydrogen 2.925 N/A CYS 186.A N GLU 189.A O no hydrogen 2.822 N/A GLU 189.A N CYS 186.A O no hydrogen 3.093 N/A MET 190.A N SER 108.A O no hydrogen 2.934 N/A HIS 191.A N LEU 184.A O no hydrogen 2.938 N/A HIS 191.A NE2 GLU 189.A OE2 no hydrogen 3.114 N/A GLY 192.A N LEU 184.A O no hydrogen 3.257 N/A ILE 193.A N THR 211.A O no hydrogen 3.094 N/A VAL 194.A N GLY 182.A O no hydrogen 2.946 N/A ALA 195.A N VAL 209.A O no hydrogen 2.945 N/A GLY 196.A N VAL 209.A O no hydrogen 3.290 N/A SER 198.A OG TYR 154.A OH no hydrogen 2.693 N/A CYS 201.A SG HIS 177.A NE2 no hydrogen 4.001 N/A GLY 202.A N ASP 174.A OD1 no hydrogen 2.880 N/A HIS 204.A ND1 LEU 169.A O no hydrogen 2.632 N/A LEU 205.A N LEU 169.A O no hydrogen 2.829 N/A LYS 206.A N GLN 203A.A O no hydrogen 3.218 N/A LYS 206.A NZ GLN 203A.A OE1 no hydrogen 3.417 N/A ALA 208.A N ALA 166.A O no hydrogen 2.787 N/A VAL 209.A N GLY 196.A O no hydrogen 2.824 N/A TYR 210.A N LEU 164.A O no hydrogen 2.906 N/A TYR 210.A OH THR 175.A OG1 no hydrogen 3.102 N/A THR 211.A N ILE 193.A O no hydrogen 2.763 N/A THR 211.A OG1 ASP 88.A O no hydrogen 2.886 N/A LYS 212.A N ARG 162.A O no hydrogen 2.965 N/A LYS 212.A NZ SER 113.A OG no hydrogen 3.147 N/A VAL 213.A N HIS 191.A O no hydrogen 2.961 N/A TYR 216.A N VAL 213.A O no hydrogen 2.741 N/A ASN 217.A N PHE 214.A O no hydrogen 3.173 N/A ASN 217.A ND2 PRO 110.A O no hydrogen 2.910 N/A ILE 220.A N TYR 216.A O no hydrogen 2.811 N/A GLN 221.A N ASN 217.A O no hydrogen 3.001 N/A SER 222.A N ASN 218.A O no hydrogen 2.872 N/A SER 222.A OG ASN 218.A O no hydrogen 3.399 N/A SER 222.A OG TRP 219.A O no hydrogen 2.808 N/A ILE 223.A N TRP 219.A O no hydrogen 2.979 N/A ILE 224.A N ILE 220.A O no hydrogen 3.083 N/A ALA 225.A N GLN 221.A O no hydrogen 2.902 N/A GLY 226.A N SER 222.A O no hydrogen 3.069 N/A GLY 226.A N ILE 223.A O no hydrogen 2.954 N/A ASN 227.A N SER 222.A O no hydrogen 2.880 N/A ALA 22A.A N THR 20.A OG1 no hydrogen 3.085 N/A PHE 81A.A N ASP 86.A OD1 no hydrogen 2.961 N/A GLN 203A.A NE2 PRO 200.A O no hydrogen 2.839 N/A ARG 228A.A NH1 ILE 223.A O no hydrogen 2.705 N/A ARG 228A.A NH1 ASN 227.A O no hydrogen 2.582 N/A GLY 171B.A N ILE 168.A O no hydrogen 2.890 N/A THR 229B.A N ASN 227.A OD1 no hydrogen 2.800 N/A THR 229B.A OG1 ASN 227.A OD1 no hydrogen 3.309 N/A VAL 230C.A N ASN 227.A OD1 no hydrogen 3.047 N/A CYS 232E.A N ASN 78.A OD1 no hydrogen 3.046 N/A