Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a0q_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N TRP 141.A O no hydrogen 2.952 N/A ILE 1.A N ASP 189.A OD1 no hydrogen 3.404 N/A ILE 1.A N ASP 189.A OD2 no hydrogen 2.453 N/A VAL 2.A N ASP 184.A O no hydrogen 3.076 N/A SER 5.A N VAL 147.A O no hydrogen 2.936 N/A ALA 7.A N LEU 145.A O no hydrogen 2.861 N/A MET 11.A N GLU 8.A O no hydrogen 3.047 N/A SER 12.A OG GLN 15.A OE1 no hydrogen 2.857 N/A GLN 15.A N SER 12.A O no hydrogen 2.949 N/A GLN 15.A NE2 THR 139.A O no hydrogen 3.538 N/A VAL 16.A N ALA 30.A O no hydrogen 2.973 N/A MET 17.A N ARG 62.A O no hydrogen 2.948 N/A LEU 18.A N CYS 28.A O no hydrogen 2.868 N/A PHE 19.A N LEU 60.A O no hydrogen 2.888 N/A ARG 20.A N GLU 25.A O no hydrogen 2.712 N/A ARG 20.A NH1 GLU 25.A OE1 no hydrogen 2.611 N/A LYS 21.A N ASP 58.A O no hydrogen 2.833 N/A LYS 21.A NZ ASN 57.A O no hydrogen 2.896 N/A GLU 25.A N ARG 20.A O no hydrogen 3.354 N/A LEU 27.A N LEU 18.A O no hydrogen 2.751 N/A CYS 28.A N LEU 18.A O no hydrogen 3.299 N/A CYS 28.A SG LEU 27.A O no hydrogen 3.044 N/A GLY 29.A N SER 190.A O no hydrogen 2.816 N/A SER 31.A N LEU 39.A O no hydrogen 2.869 N/A LEU 32.A N TRP 14.A O no hydrogen 2.785 N/A ILE 33.A N TRP 37.A O no hydrogen 3.083 N/A ARG 36.A N SER 34.A OG no hydrogen 3.298 N/A ARG 36.A NH1 LEU 105.A O no hydrogen 3.450 N/A TRP 37.A N SER 34.A OG no hydrogen 3.159 N/A VAL 38.A N MET 103.A O no hydrogen 2.893 N/A LEU 39.A N SER 31.A O no hydrogen 2.789 N/A THR 40.A N ALA 101.A O no hydrogen 2.985 N/A THR 40.A OG1 GLY 29.A O no hydrogen 2.993 N/A ALA 41.A N THR 40.A OG1 no hydrogen 2.743 N/A HIS 43.A N ASP 99.A OD1 no hydrogen 2.765 N/A HIS 43.A ND1 ASP 99.A OD2 no hydrogen 2.598 N/A HIS 43.A NE2 GLU 187.A OE2 no hydrogen 3.055 N/A HIS 43.A NE2 SER 190.A OG no hydrogen 3.118 N/A CYS 44.A N ALA 41.A O no hydrogen 3.246 N/A CYS 44.A SG SER 190.A O no hydrogen 3.638 N/A LEU 45.A N ALA 42.A O no hydrogen 2.852 N/A LEU 46.A N ALA 42.A O no hydrogen 2.796 N/A ASP 58.A N THR 55I.A O no hydrogen 3.078 N/A LEU 60.A N PHE 19.A O no hydrogen 3.107 N/A VAL 61.A N SER 79.A O no hydrogen 3.046 N/A ARG 62.A N MET 17.A O no hydrogen 2.874 N/A ARG 62.A NH2 GLU 76.A OE1 no hydrogen 3.323 N/A ARG 62.A NH2 GLU 76.A OE2 no hydrogen 3.374 N/A ILE 63.A N LYS 77.A O no hydrogen 2.774 N/A LYS 65.A NZ SER 67.A O no hydrogen 3.033 N/A LYS 65.A NZ ARG 70.A O no hydrogen 2.836 N/A LYS 65.A NZ GLU 72.A OE2 no hydrogen 2.806 N/A LYS 65.A NZ GLU 76.A OE2 no hydrogen 2.923 N/A HIS 66.A N GLU 72.A OE1 no hydrogen 3.146 N/A HIS 66.A N GLU 72.A OE2 no hydrogen 2.876 N/A SER 67.A N GLU 72.A OE2 no hydrogen 2.842 N/A ARG 68.A N SER 143.A O no hydrogen 2.791 N/A ARG 68.A NH2 ARG 68.A O no hydrogen 3.056 N/A ARG 70.A N SER 67.A OG no hydrogen 3.014 N/A GLU 72.A N GLU 76.A OE2 no hydrogen 2.760 N/A ILE 75.A N GLU 72.A O no hydrogen 3.039 N/A GLU 76.A N GLU 72.A O no hydrogen 2.962 N/A LYS 77.A N ILE 63.A O no hydrogen 2.838 N/A SER 79.A N VAL 61.A O no hydrogen 2.970 N/A GLU 82.A N LYS 104.A O no hydrogen 2.637 N/A LYS 83.A N LYS 104.A O no hydrogen 3.431 N/A ILE 84.A N GLU 56.A OE2 no hydrogen 2.865 N/A TYR 85.A N LEU 102.A O no hydrogen 2.791 N/A HIS 87.A N ILE 100.A O no hydrogen 3.235 N/A ARG 89.A N HIS 87.A ND1 no hydrogen 2.992 N/A TYR 90.A N HIS 87.A O no hydrogen 3.124 N/A TYR 90.A OH LEU 46.A O no hydrogen 2.781 N/A ASN 91.A N ASP 97.A O no hydrogen 2.892 N/A ASN 91.A ND2 GLU 94A.A OE1 no hydrogen 3.292 N/A ASN 95.A ND2 ARG 165.A O no hydrogen 2.797 N/A ASP 97.A N ASN 95.A OD1 no hydrogen 3.139 N/A ILE 100.A N ARG 98.A O no hydrogen 2.949 N/A ALA 101.A N THR 40.A O no hydrogen 2.907 N/A LEU 102.A N TYR 85.A O no hydrogen 2.744 N/A MET 103.A N VAL 38.A O no hydrogen 2.849 N/A LYS 104.A N LYS 83.A O no hydrogen 2.919 N/A LEU 105.A N ARG 36.A O no hydrogen 2.854 N/A LYS 106.A N MET 80.A O no hydrogen 2.881 N/A LYS 106.A NZ LEU 81.A O no hydrogen 2.963 N/A VAL 109.A N ASP 35.A O no hydrogen 2.840 N/A SER 112.A N ILE 115.A O no hydrogen 2.865 N/A TYR 114.A N SER 112.A OG no hydrogen 2.943 N/A HIS 116.A N PRO 13.A O no hydrogen 3.077 N/A VAL 118.A N LEU 32.A O no hydrogen 3.084 N/A CYS 119.A N TRP 204.A O no hydrogen 3.209 N/A THR 125.A N ASP 122.A OD2 no hydrogen 2.773 N/A THR 125.A OG1 ASP 122.A OD1 no hydrogen 3.274 N/A THR 125.A OG1 ASP 122.A OD2 no hydrogen 3.060 N/A ALA 126.A N ASP 122.A O no hydrogen 2.970 N/A LEU 130.A N ALA 126.A O no hydrogen 2.952 N/A GLN 131.A N LEU 129C.A O no hydrogen 2.869 N/A GLY 133.A N ILE 152.A O no hydrogen 2.820 N/A TYR 134.A N GLN 131.A O no hydrogen 3.039 N/A LYS 135.A NZ TYR 175A.A OH no hydrogen 3.098 N/A GLY 136.A N LEU 150.A O no hydrogen 2.785 N/A ARG 137.A N VAL 195.A O no hydrogen 2.666 N/A ARG 137.A NE ASN 149.A OD1 no hydrogen 3.050 N/A VAL 138.A N VAL 148.A O no hydrogen 2.874 N/A THR 139.A OG1 GLN 15.A OE1 no hydrogen 2.585 N/A GLY 140.A N GLN 146.A O no hydrogen 3.056 N/A TRP 141.A N ASP 189.A OD1 no hydrogen 3.181 N/A LEU 145.A N HIS 66.A O no hydrogen 2.896 N/A GLN 146.A N GLY 140.A O no hydrogen 2.733 N/A GLN 146.A NE2 ASP 6.A OD1 no hydrogen 2.814 N/A GLN 146.A NE2 VAL 144.A O no hydrogen 2.892 N/A VAL 147.A N SER 5.A O no hydrogen 2.784 N/A VAL 148.A N VAL 138.A O no hydrogen 2.989 N/A LEU 150.A N GLY 136.A O no hydrogen 2.845 N/A ILE 152.A N TYR 134.A O no hydrogen 2.867 N/A VAL 153.A N CYS 172.A O no hydrogen 2.971 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.728 N/A ARG 155.A NH1 THR 167.A O no hydrogen 2.904 N/A ARG 155.A NH1 MET 170.A O no hydrogen 3.158 N/A ARG 155.A NH2 MET 170.A O no hydrogen 2.683 N/A CYS 158.A N GLU 154.A O no hydrogen 2.965 N/A CYS 158.A SG VAL 153.A O no hydrogen 3.612 N/A CYS 158.A SG GLU 154.A O no hydrogen 3.469 N/A LYS 159.A N ARG 155.A O no hydrogen 2.827 N/A ASP 160.A N PRO 156.A O no hydrogen 2.882 N/A SER 161.A N CYS 158.A O no hydrogen 3.153 N/A SER 161.A OG CYS 158.A O no hydrogen 2.739 N/A THR 162.A OG1 GLU 214.A OE1 no hydrogen 2.744 N/A THR 162.A OG1 GLU 214.A OE2 no hydrogen 3.390 N/A ILE 164.A N THR 162.A OG1 no hydrogen 2.982 N/A ARG 165.A NE GLU 94A.A OE2 no hydrogen 2.846 N/A ARG 165.A NH2 GLU 94A.A OE1 no hydrogen 2.904 N/A THR 167.A OG1 ASP 97.A OD1 no hydrogen 2.538 N/A ASN 169.A N THR 167.A OG1 no hydrogen 3.038 N/A ASN 169.A ND2 ASP 97.A OD1 no hydrogen 2.928 N/A ASN 169.A ND2 ASP 97.A OD2 no hydrogen 3.529 N/A MET 170.A N THR 167.A O no hydrogen 3.135 N/A PHE 171.A N TYR 225.A O no hydrogen 2.992 N/A ALA 173.A N GLY 223.A O no hydrogen 3.006 N/A GLY 174.A N PRO 151.A O no hydrogen 2.813 N/A LYS 176.A N GLU 179B.A OE1 no hydrogen 2.620 N/A LYS 176.A NZ GLU 154.A OE1 no hydrogen 2.871 N/A ARG 182.A NE ASP 217.A OD2 no hydrogen 2.811 N/A ARG 182.A NH1 ASP 219.A OD1 no hydrogen 2.958 N/A ARG 182.A NH2 ASP 217.A O no hydrogen 2.850 N/A ARG 182.A NH2 ASP 217.A OD2 no hydrogen 3.539 N/A ARG 182.A NH2 ASP 219.A OD1 no hydrogen 3.141 N/A GLY 183.A N ASP 217.A OD1 no hydrogen 2.798 N/A ASP 184.A N VAL 2.A O no hydrogen 3.213 N/A ALA 185.A N ASP 184.A OD1 no hydrogen 2.852 N/A CYS 186.A N ASP 189.A OD2 no hydrogen 2.797 N/A ASP 189.A N CYS 186.A O no hydrogen 2.823 N/A SER 190.A N GLU 187.A O no hydrogen 3.014 N/A SER 190.A OG HIS 43.A NE2 no hydrogen 3.118 N/A SER 190.A OG GLU 187.A O no hydrogen 2.762 N/A SER 190.A OG GLU 187.A OE2 no hydrogen 3.050 N/A GLY 191.A N VAL 210.A O no hydrogen 2.752 N/A GLY 192.A N ASP 189.A O no hydrogen 3.025 N/A PHE 194.A N GLY 208.A O no hydrogen 2.945 N/A VAL 195.A N ARG 137.A O no hydrogen 2.827 N/A MET 196.A N TYR 205.A O no hydrogen 2.859 N/A SER 198.A N ARG 203.A O no hydrogen 2.834 N/A ASN 202.A N SER 198.A O no hydrogen 3.001 N/A TYR 205.A N MET 196.A O no hydrogen 2.828 N/A TYR 205.A OH ASN 201B.A OD1 no hydrogen 2.733 N/A GLN 206.A N CYS 119.A O no hydrogen 2.923 N/A GLN 206.A NE2 SER 31.A OG no hydrogen 2.558 N/A MET 207.A N PHE 194.A O no hydrogen 2.880 N/A GLY 208.A N PHE 194.A O no hydrogen 3.036 N/A ILE 209.A N THR 226.A O no hydrogen 3.229 N/A VAL 210.A N GLY 192.A O no hydrogen 2.863 N/A SER 211.A N PHE 224.A O no hydrogen 2.984 N/A SER 211.A OG ASP 99.A OD2 no hydrogen 2.684 N/A TRP 212.A N PHE 224.A O no hydrogen 3.243 N/A ASP 217.A N ASP 184.A OD2 no hydrogen 2.795 N/A LYS 221.A N ARG 218A.A O no hydrogen 3.114 N/A LYS 221.A NZ SER 161.A O no hydrogen 2.843 N/A LYS 221.A NZ GLU 214.A OE1 no hydrogen 2.615 N/A GLY 223.A N ALA 173.A O no hydrogen 3.185 N/A PHE 224.A N TRP 212.A O no hydrogen 2.775 N/A TYR 225.A N PHE 171.A O no hydrogen 2.783 N/A THR 226.A N ILE 209.A O no hydrogen 2.862 N/A THR 226.A OG1 ASP 99.A O no hydrogen 2.707 N/A HIS 227.A N ASN 169.A O no hydrogen 2.791 N/A VAL 228.A N MET 207.A O no hydrogen 3.006 N/A ARG 230.A N HIS 227.A ND1 no hydrogen 3.252 N/A LEU 231.A N VAL 228.A O no hydrogen 2.992 N/A LYS 232.A N PHE 229.A O no hydrogen 3.081 N/A LYS 232.A NZ PRO 121.A O no hydrogen 2.805 N/A ILE 235.A N LEU 231.A O no hydrogen 3.197 N/A GLN 236.A N LYS 232.A O no hydrogen 2.873 N/A LYS 237.A N LYS 233.A O no hydrogen 2.997 N/A VAL 238.A N TRP 234.A O no hydrogen 2.978 N/A ILE 239.A N ILE 235.A O no hydrogen 3.001 N/A ASP 240.A N GLN 236.A O no hydrogen 2.903 N/A GLN 241.A N LYS 237.A O no hydrogen 2.937 N/A PHE 242.A N VAL 238.A O no hydrogen 2.550 N/A TYR 47A.A N LYS 52F.A O no hydrogen 2.770 N/A GLU 94A.A N ASN 91.A OD1 no hydrogen 3.311 N/A ALA 127A.A N ARG 123.A O no hydrogen 3.062 N/A PHE 200A.A N SER 198.A OG no hydrogen 2.965 N/A ARG 218A.A NE GLU 214.A O no hydrogen 3.069 N/A ARG 218A.A NH2 GLU 214.A O no hydrogen 2.583 N/A SER 128B.A N GLU 124.A O no hydrogen 2.923 N/A SER 128B.A OG GLU 124.A O no hydrogen 3.412 N/A SER 128B.A OG THR 125.A O no hydrogen 3.404 N/A GLU 179B.A N LYS 176.A O no hydrogen 3.050 N/A ASN 201B.A N SER 198.A OG no hydrogen 3.308 N/A LEU 129C.A N THR 125.A O no hydrogen 2.922 N/A TRP 50D.A N TYR 47A.A O no hydrogen 3.086 N/A ASP 51E.A N PRO 48B.A O no hydrogen 2.737 N/A LYS 52F.A N TYR 47A.A O no hydrogen 3.208 N/A LYS 52F.A NZ HIS 43.A O no hydrogen 3.108 N/A PHE 54H.A N LEU 45.A O no hydrogen 3.129 N/A THR 55I.A N ASP 58.A OD2 no hydrogen 2.629 N/A THR 55I.A OG1 ASP 58.A OD2 no hydrogen 3.412 N/A