Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s9b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N LYS 127.A O no hydrogen 2.838 N/A VAL 1.A N ASP 179.A OD2 no hydrogen 2.697 N/A VAL 2.A N ASP 174.A O no hydrogen 3.042 N/A ASP 5.A N CYS 139.A O no hydrogen 3.227 N/A CYS 7.A N PRO 137.A O no hydrogen 2.890 N/A CYS 7.A SG PRO 137.A O no hydrogen 3.383 N/A ASN 8.A N GLU 11.A OE2 no hydrogen 2.922 N/A ASN 10.A N ASN 8.A OD1 no hydrogen 2.718 N/A GLU 11.A N ASN 8.A O no hydrogen 3.228 N/A HIS 12.A NE2 HIS 56.A ND1 no hydrogen 2.832 N/A LEU 15.A N HIS 12.A O no hydrogen 3.007 N/A VAL 16.A N GLY 30.A O no hydrogen 3.016 N/A ALA 17.A N LYS 52.A O no hydrogen 2.990 N/A LEU 18.A N CYS 28.A O no hydrogen 2.906 N/A TYR 19.A N ARG 50.A O no hydrogen 2.878 N/A THR 20.A N SER 23.A O no hydrogen 3.161 N/A SER 21.A N ASN 48.A O no hydrogen 3.058 N/A SER 23.A N THR 20.A OG1 no hydrogen 2.973 N/A THR 25.A N SER 23.A OG no hydrogen 3.067 N/A THR 25.A OG1 SER 23.A OG no hydrogen 3.136 N/A HIS 27.A N LEU 18.A O no hydrogen 3.133 N/A HIS 27.A NE2 CYS 44.A O no hydrogen 2.872 N/A CYS 28.A SG HIS 27.A O no hydrogen 3.032 N/A ALA 29.A N SER 180.A O no hydrogen 2.910 N/A GLY 30.A N VAL 16.A O no hydrogen 2.949 N/A ALA 31.A N LEU 39.A O no hydrogen 2.777 N/A LEU 32.A N PHE 14.A O no hydrogen 2.766 N/A ILE 33.A N TRP 37.A O no hydrogen 2.799 N/A GLU 36.A N ASN 34.A OD1 no hydrogen 2.819 N/A VAL 38.A N ILE 92.A O no hydrogen 2.935 N/A LEU 39.A N ALA 31.A O no hydrogen 2.722 N/A THR 40.A N MET 90.A O no hydrogen 3.070 N/A THR 40.A OG1 ALA 29.A O no hydrogen 2.796 N/A THR 40.A OG1 GLY 181.A O no hydrogen 3.556 N/A ALA 41.A N THR 40.A OG1 no hydrogen 2.663 N/A HIS 43.A N ASP 88.A OD1 no hydrogen 3.004 N/A HIS 43.A ND1 ASP 88.A OD2 no hydrogen 2.633 N/A CYS 44.A N ALA 41.A O no hydrogen 3.075 N/A ASP 45.A N ALA 42.A O no hydrogen 2.992 N/A ARG 46.A NH1 HIS 43.A O no hydrogen 2.971 N/A ARG 46.A NH1 ASP 45.A O no hydrogen 2.793 N/A ARG 50.A N TYR 19.A O no hydrogen 2.828 N/A ARG 50.A NH2 ILE 49.A O no hydrogen 2.781 N/A ILE 51.A N ARG 68.A O no hydrogen 2.862 N/A LYS 52.A N ALA 17.A O no hydrogen 2.840 N/A LEU 53.A N GLN 66.A O no hydrogen 2.785 N/A HIS 56.A ND1 HIS 12.A NE2 no hydrogen 2.832 N/A HIS 56.A NE2 GLU 6.A OE2 no hydrogen 2.710 N/A LYS 58.A N ASP 135.A O no hydrogen 2.757 N/A LYS 58.A NZ PRO 134.A O no hydrogen 3.450 N/A ASN 59.A N SER 57.A OG no hydrogen 2.931 N/A ILE 60.A N SER 57.A OG no hydrogen 3.087 N/A ASN 62.A N GLU 65.A OE1 no hydrogen 3.238 N/A ASN 62.A ND2 GLY 54.A O no hydrogen 2.781 N/A ASP 64.A N ASP 64.A OD2 no hydrogen 2.538 N/A GLU 65.A N ASN 62.A O no hydrogen 3.174 N/A GLN 66.A N LEU 53.A O no hydrogen 2.798 N/A ARG 68.A N ILE 51.A O no hydrogen 2.894 N/A ARG 68.A NE ARG 96.A O no hydrogen 2.843 N/A ARG 68.A NE PRO 97.A O no hydrogen 3.465 N/A ARG 68.A NH1 GLN 66.A OE1 no hydrogen 2.951 N/A ARG 68.A NH1 ILE 67.A O no hydrogen 2.874 N/A ARG 68.A NH2 GLN 66.A OE1 no hydrogen 3.152 N/A ARG 68.A NH2 PRO 97.A O no hydrogen 2.953 N/A ARG 71.A N ARG 93.A O no hydrogen 2.714 N/A LYS 73.A NZ ASP 45.A OD2 no hydrogen 2.690 N/A TYR 74.A N LEU 91.A O no hydrogen 2.785 N/A ASN 78.A ND2 CYS 232E.A O no hydrogen 3.100 N/A THR 79.A OG1 PHE 81A.A O no hydrogen 2.591 N/A LYS 80.A N ASP 86.A OD2 no hydrogen 2.722 N/A GLY 84.A N PHE 81A.A O no hydrogen 2.853 N/A LEU 85.A N ASN 83.A OD1 no hydrogen 2.855 N/A LYS 87.A N GLY 84.A O no hydrogen 3.225 N/A LYS 87.A NZ ASN 78.A O no hydrogen 2.720 N/A LYS 87.A NZ ASN 78.A OD1 no hydrogen 3.197 N/A LYS 87.A NZ PRO 233F.A O no hydrogen 2.898 N/A LYS 87.A NZ PRO 234G.A O no hydrogen 3.170 N/A ILE 89.A N LYS 87.A O no hydrogen 2.903 N/A MET 90.A N THR 40.A O no hydrogen 2.892 N/A LEU 91.A N TYR 74.A O no hydrogen 2.954 N/A ILE 92.A N VAL 38.A O no hydrogen 2.906 N/A ARG 93.A N GLY 72.A O no hydrogen 2.789 N/A ARG 93.A NE GLU 36.A OE1 no hydrogen 2.878 N/A ARG 93.A NH2 GLU 36.A OE1 no hydrogen 2.951 N/A LEU 94.A N GLU 36.A O no hydrogen 2.727 N/A ARG 95.A N VAL 69.A O no hydrogen 2.873 N/A VAL 98.A N ARG 35.A O no hydrogen 2.903 N/A SER 101.A N ILE 104.A O no hydrogen 2.803 N/A SER 101.A OG ASP 64.A OD1 no hydrogen 2.520 N/A HIS 103.A N ASP 64.A OD1 no hydrogen 3.046 N/A HIS 103.A ND1 ASP 64.A OD2 no hydrogen 2.684 N/A ILE 104.A N SER 101.A O no hydrogen 3.161 N/A ALA 105.A N PRO 13.A O no hydrogen 3.079 N/A VAL 107.A N LEU 32.A O no hydrogen 2.932 N/A SER 108.A OG GLY 188.A O no hydrogen 3.444 N/A SER 111.A N GLU 189.A OE2 no hydrogen 3.055 N/A SER 111.A OG GLU 189.A OE1 no hydrogen 2.719 N/A SER 111.A OG GLU 189.A OE2 no hydrogen 3.493 N/A ARG 112.A NE SER 113.A O no hydrogen 3.029 N/A ARG 112.A NH2 SER 113.A O no hydrogen 3.018 N/A GLY 117.A N ILE 144.A O no hydrogen 2.857 N/A SER 118.A N GLY 115.A O no hydrogen 3.004 N/A SER 118.A OG GLY 115.A O no hydrogen 2.661 N/A CYS 120.A N ILE 142.A O no hydrogen 2.792 N/A CYS 120.A SG SER 118.A O no hydrogen 3.990 N/A ARG 121.A N ILE 185.A O no hydrogen 2.729 N/A ARG 121.A NE GLU 11.A OE1 no hydrogen 2.740 N/A ARG 121.A NH1 ASN 141.A OD1 no hydrogen 2.992 N/A ARG 121.A NH2 GLU 11.A OE1 no hydrogen 3.500 N/A ARG 121.A NH2 GLU 11.A OE2 no hydrogen 3.121 N/A ILE 122.A N THR 140.A O no hydrogen 2.949 N/A GLY 124.A N HIS 138.A O no hydrogen 3.084 N/A TRP 125.A NE1 HIS 56.A O no hydrogen 2.966 N/A GLY 126.A N ASP 179.A OD1 no hydrogen 2.835 N/A LYS 127.A N HIS 177.A O no hydrogen 3.066 N/A ILE 128.A N THR 132.A O no hydrogen 2.901 N/A THR 131.A OG1 THR 131.A O no hydrogen 2.582 N/A THR 132.A N SER 129.A O no hydrogen 3.004 N/A THR 132.A OG1 SER 129.A OG no hydrogen 2.809 N/A THR 132.A OG1 THR 130.A O no hydrogen 2.993 N/A TYR 133.A OH HIS 177.A ND1 no hydrogen 2.851 N/A HIS 138.A N GLY 124.A O no hydrogen 2.834 N/A CYS 139.A N ASP 5.A O no hydrogen 2.879 N/A CYS 139.A SG ILE 122.A O no hydrogen 4.026 N/A THR 140.A N ILE 122.A O no hydrogen 3.214 N/A THR 140.A OG1 GLY 3.A O no hydrogen 3.442 N/A ILE 142.A N CYS 120.A O no hydrogen 2.792 N/A PHE 143.A N GLY 167.A O no hydrogen 3.047 N/A ILE 144.A N SER 118.A O no hydrogen 3.042 N/A VAL 145.A N CYS 165.A O no hydrogen 2.829 N/A HIS 147.A ND1 GLU 151.A OE1 no hydrogen 2.722 N/A HIS 147.A NE2 THR 163.A OG1 no hydrogen 2.834 N/A TRP 149.A N LYS 146.A O no hydrogen 3.046 N/A CYS 150.A N HIS 147.A O no hydrogen 3.067 N/A CYS 150.A SG ALA 208.A O no hydrogen 3.403 N/A GLU 151.A N HIS 147.A O no hydrogen 3.392 N/A TYR 154.A N CYS 150.A O no hydrogen 2.918 N/A TYR 154.A OH SER 198.A OG no hydrogen 2.807 N/A TYR 154.A OH PRO 207.A O no hydrogen 2.738 N/A VAL 157.A N TYR 154.A O no hydrogen 2.509 N/A SER 161.A N PRO 158.A O no hydrogen 2.858 N/A SER 161.A OG THR 163.A OG1 no hydrogen 2.698 N/A ARG 162.A NE PRO 234G.A OXT no hydrogen 2.721 N/A ARG 162.A NH1 ASP 215.A OD2 no hydrogen 3.070 N/A ARG 162.A NH2 PRO 234G.A OXT no hydrogen 2.659 N/A THR 163.A OG1 HIS 147.A NE2 no hydrogen 2.834 N/A THR 163.A OG1 SER 161.A OG no hydrogen 2.698 N/A LEU 164.A N TYR 210.A O no hydrogen 2.675 N/A CYS 165.A SG LYS 146.A O no hydrogen 3.992 N/A ALA 166.A N ALA 208.A O no hydrogen 3.000 N/A GLY 167.A N PHE 143.A O no hydrogen 2.891 N/A GLY 172.A N GLY 202.A O no hydrogen 2.883 N/A ASP 174.A N VAL 2.A O no hydrogen 3.356 N/A THR 175.A N ASP 174.A OD2 no hydrogen 2.752 N/A THR 175.A OG1 TYR 210.A OH no hydrogen 2.925 N/A CYS 176.A N ASP 179.A OD2 no hydrogen 2.662 N/A CYS 176.A SG LYS 127.A O no hydrogen 3.558 N/A CYS 176.A SG ASP 174.A O no hydrogen 3.730 N/A ASP 179.A N CYS 176.A O no hydrogen 2.839 N/A SER 180.A OG HIS 43.A NE2 no hydrogen 3.220 N/A GLY 181.A N VAL 194.A O no hydrogen 2.732 N/A GLY 182.A N ASP 179.A O no hydrogen 3.137 N/A LEU 184.A N GLY 192.A O no hydrogen 2.920 N/A ILE 185.A N ARG 121.A O no hydrogen 2.970 N/A CYS 186.A N GLU 189.A O no hydrogen 2.883 N/A GLU 189.A N CYS 186.A O no hydrogen 3.173 N/A MET 190.A N SER 108.A O no hydrogen 2.966 N/A HIS 191.A N LEU 184.A O no hydrogen 2.926 N/A GLY 192.A N LEU 184.A O no hydrogen 3.310 N/A ILE 193.A N THR 211.A O no hydrogen 3.129 N/A VAL 194.A N GLY 182.A O no hydrogen 2.768 N/A ALA 195.A N VAL 209.A O no hydrogen 2.939 N/A GLY 196.A N VAL 209.A O no hydrogen 3.211 N/A SER 198.A OG TYR 154.A OH no hydrogen 2.807 N/A GLY 202.A N ASP 174.A OD1 no hydrogen 2.932 N/A LEU 205.A N LEU 169.A O no hydrogen 2.692 N/A LYS 206.A N GLN 203A.A O no hydrogen 3.219 N/A LYS 206.A NZ GLN 203A.A OE1 no hydrogen 2.860 N/A ALA 208.A N ALA 166.A O no hydrogen 2.857 N/A VAL 209.A N GLY 196.A O no hydrogen 2.803 N/A TYR 210.A N LEU 164.A O no hydrogen 2.876 N/A THR 211.A N ILE 193.A O no hydrogen 2.832 N/A THR 211.A OG1 ASP 88.A O no hydrogen 2.827 N/A LYS 212.A N ARG 162.A O no hydrogen 2.975 N/A LYS 212.A NZ SER 113.A OG no hydrogen 2.818 N/A VAL 213.A N HIS 191.A O no hydrogen 3.083 N/A TYR 216.A N VAL 213.A O no hydrogen 2.710 N/A ASN 217.A N PHE 214.A O no hydrogen 3.146 N/A ASN 217.A ND2 PRO 110.A O no hydrogen 2.845 N/A ILE 220.A N TYR 216.A O no hydrogen 2.791 N/A GLN 221.A N ASN 217.A O no hydrogen 2.920 N/A SER 222.A N ASN 218.A O no hydrogen 2.907 N/A SER 222.A OG ASN 218.A O no hydrogen 2.703 N/A ILE 223.A N TRP 219.A O no hydrogen 2.970 N/A ILE 224.A N ILE 220.A O no hydrogen 2.958 N/A ALA 225.A N GLN 221.A O no hydrogen 2.950 N/A GLY 226.A N ILE 223.A O no hydrogen 2.876 N/A ASN 227.A N SER 222.A O no hydrogen 3.057 N/A ALA 22A.A N THR 20.A OG1 no hydrogen 3.242 N/A PHE 81A.A N ASP 86.A OD1 no hydrogen 2.982 N/A GLN 203A.A NE2 PRO 200.A O no hydrogen 2.735 N/A ARG 228A.A NH1 ILE 223.A O no hydrogen 2.988 N/A ARG 228A.A NH1 ASN 227.A O no hydrogen 2.722 N/A GLY 171B.A N ILE 168.A O no hydrogen 2.646 N/A THR 229B.A N ASN 227.A OD1 no hydrogen 2.880 N/A THR 229B.A OG1 ASN 227.A OD1 no hydrogen 3.311 N/A VAL 230C.A N ASN 227.A OD1 no hydrogen 2.846 N/A THR 231D.A OG1 CYS 232E.A O no hydrogen 3.570 N/A