Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pux_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLY 142.A O no hydrogen 3.315 N/A ILE 1.A N ASN 143.A O no hydrogen 2.988 N/A ILE 1.A N ASP 204.A OD2 no hydrogen 2.738 N/A VAL 2.A N ASP 199.A O no hydrogen 2.841 N/A TRP 5.A N VAL 162.A O no hydrogen 2.935 N/A ALA 7.A N LEU 160.A O no hydrogen 2.953 N/A ILE 11.A N GLU 8.A O no hydrogen 3.203 N/A GLN 15.A N ALA 12.A O no hydrogen 2.863 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 3.601 N/A VAL 16.A N ALA 30.A O no hydrogen 2.801 N/A MET 17.A N ARG 62.A O no hydrogen 2.844 N/A LEU 18.A N CYS 28.A O no hydrogen 2.877 N/A PHE 19.A N LEU 60.A O no hydrogen 2.860 N/A ARG 20.A N GLU 25.A O no hydrogen 2.797 N/A ARG 20.A NH1 GLU 25.A OE1 no hydrogen 3.071 N/A LYS 21.A N ASP 58.A O no hydrogen 3.046 N/A LEU 27.A N LEU 18.A O no hydrogen 2.778 N/A CYS 28.A SG LEU 27.A O no hydrogen 2.839 N/A GLY 29.A N ALA 205.A O no hydrogen 2.859 N/A SER 31.A N LEU 39.A O no hydrogen 2.834 N/A LEU 32.A N TRP 14.A O no hydrogen 2.817 N/A ILE 33.A N TRP 37.A O no hydrogen 3.076 N/A ARG 36.A N SER 34.A OG no hydrogen 2.965 N/A TRP 37.A N SER 34.A OG no hydrogen 3.047 N/A VAL 38.A N LEU 103.A O no hydrogen 2.947 N/A LEU 39.A N SER 31.A O no hydrogen 2.716 N/A THR 40.A N ALA 101.A O no hydrogen 3.007 N/A THR 40.A OG1 GLY 29.A O no hydrogen 3.006 N/A ALA 41.A N THR 40.A OG1 no hydrogen 2.769 N/A HIS 43.A N ASP 99.A OD1 no hydrogen 2.777 N/A HIS 43.A ND1 ASP 99.A OD2 no hydrogen 2.611 N/A CYS 44.A N ALA 41.A O no hydrogen 3.231 N/A CYS 44.A SG ALA 205.A O no hydrogen 3.627 N/A ILE 45.A N ALA 42.A O no hydrogen 2.884 N/A LEU 46.A N ALA 42.A O no hydrogen 2.932 N/A ASN 57.A N THR 55I.A OG1 no hydrogen 3.271 N/A ASP 58.A N THR 55I.A O no hydrogen 2.881 N/A LEU 60.A N PHE 19.A O no hydrogen 2.857 N/A VAL 61.A N SER 79.A O no hydrogen 3.054 N/A ARG 62.A N MET 17.A O no hydrogen 2.828 N/A ARG 62.A NE GLU 76.A OE1 no hydrogen 2.965 N/A ARG 62.A NH1 GLU 76.A OE1 no hydrogen 3.390 N/A ARG 62.A NH1 GLU 76.A OE2 no hydrogen 2.997 N/A ILE 63.A N LYS 77.A O no hydrogen 2.897 N/A LYS 65.A NZ ARG 70.A O no hydrogen 2.771 N/A LYS 65.A NZ GLU 72.A OE2 no hydrogen 2.802 N/A LYS 65.A NZ GLU 76.A OE2 no hydrogen 2.765 N/A HIS 66.A N GLU 72.A OE1 no hydrogen 3.200 N/A HIS 66.A N GLU 72.A OE2 no hydrogen 2.717 N/A SER 67.A N GLU 72.A OE1 no hydrogen 2.837 N/A ARG 68.A N SER 158.A O no hydrogen 2.986 N/A ARG 68.A NE PRO 157.A O no hydrogen 2.772 N/A ARG 70.A N SER 67.A OG no hydrogen 3.057 N/A GLU 72.A N GLU 76.A OE2 no hydrogen 2.820 N/A VAL 75.A N GLU 72.A O no hydrogen 2.955 N/A GLU 76.A N GLU 72.A O no hydrogen 2.871 N/A LYS 77.A N ILE 63.A O no hydrogen 2.808 N/A LYS 77.A NZ PRO 110.A O no hydrogen 2.916 N/A SER 79.A N VAL 61.A O no hydrogen 2.952 N/A GLU 82.A N LYS 104.A O no hydrogen 2.706 N/A LYS 83.A N LYS 104.A O no hydrogen 3.443 N/A TYR 85.A N LEU 102.A O no hydrogen 2.868 N/A HIS 87.A N ILE 100.A O no hydrogen 3.092 N/A ARG 89.A N HIS 87.A ND1 no hydrogen 2.843 N/A ARG 89.A NH2 PRO 88.A O no hydrogen 3.150 N/A TYR 90.A N HIS 87.A O no hydrogen 3.158 N/A TYR 90.A OH LEU 46.A O no hydrogen 2.774 N/A ASN 91.A N ASP 97.A O no hydrogen 2.818 N/A ASN 95.A ND2 ARG 180.A O no hydrogen 2.879 N/A LEU 96.A N ASN 91.A O no hydrogen 2.728 N/A ASP 97.A N ASN 95.A OD1 no hydrogen 3.032 N/A ARG 98.A NH1 ARG 89.A O no hydrogen 2.941 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 2.933 N/A LEU 102.A N TYR 85.A O no hydrogen 2.872 N/A LEU 103.A N VAL 38.A O no hydrogen 2.711 N/A LYS 104.A N LYS 83.A O no hydrogen 2.898 N/A LYS 104.A NZ GLU 82.A OE1 no hydrogen 2.743 N/A LEU 105.A N ARG 36.A O no hydrogen 2.887 N/A LYS 106.A N MET 80.A O no hydrogen 3.061 N/A VAL 109.A N ASP 35.A O no hydrogen 2.781 N/A SER 112.A N ILE 115.A O no hydrogen 2.945 N/A TYR 114.A N SER 112.A OG no hydrogen 3.097 N/A ILE 115.A N SER 112.A O no hydrogen 3.338 N/A HIS 116.A N PRO 13.A O no hydrogen 3.126 N/A VAL 118.A N LEU 32.A O no hydrogen 3.080 N/A CYS 119.A N TRP 219.A O no hydrogen 3.129 N/A THR 125.A N ASP 122.A OD2 no hydrogen 2.841 N/A THR 125.A OG1 ASP 122.A OD2 no hydrogen 2.650 N/A VAL 126.A N ASP 122.A O no hydrogen 3.048 N/A LEU 130.A N VAL 126.A O no hydrogen 3.043 N/A ARG 131.A N LEU 129C.A O no hydrogen 2.797 N/A ARG 131.A NH1 SER 128B.A O no hydrogen 2.732 N/A GLY 133.A N ILE 167.A O no hydrogen 2.694 N/A TYR 134.A N ARG 131.A O no hydrogen 2.887 N/A GLY 136.A N LEU 165.A O no hydrogen 2.837 N/A ARG 137.A N VAL 210.A O no hydrogen 2.754 N/A ARG 137.A NE ASN 164.A OD1 no hydrogen 3.159 N/A VAL 138.A N VAL 163.A O no hydrogen 2.874 N/A THR 139.A OG1 GLN 15.A OE1 no hydrogen 2.543 N/A GLY 140.A N GLN 161.A O no hydrogen 3.032 N/A TRP 141.A NE1 HIS 66.A O no hydrogen 2.894 N/A GLY 142.A N ASP 204.A OD1 no hydrogen 2.706 N/A ASN 143.A N GLU 202.A O no hydrogen 2.891 N/A LEU 144.A N ILE 155.A O no hydrogen 2.730 N/A ARG 145.A NH2 GLU 3.A OE2 no hydrogen 2.822 N/A THR 149.A N GLU 154E.A OE2 no hydrogen 2.612 N/A ILE 155.A N ILE 152C.A O no hydrogen 3.070 N/A GLN 156.A N ASN 153D.A O no hydrogen 3.393 N/A LEU 160.A N HIS 66.A O no hydrogen 2.942 N/A GLN 161.A N GLY 140.A O no hydrogen 2.876 N/A GLN 161.A NE2 ASP 6.A OD1 no hydrogen 2.852 N/A GLN 161.A NE2 VAL 159.A O no hydrogen 2.963 N/A VAL 162.A N TRP 5.A O no hydrogen 2.988 N/A VAL 163.A N VAL 138.A O no hydrogen 3.015 N/A LEU 165.A N GLY 136.A O no hydrogen 2.794 N/A ILE 167.A N TYR 134.A O no hydrogen 2.907 N/A VAL 168.A N CYS 187.A O no hydrogen 3.025 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.609 N/A ARG 170.A NH1 THR 182.A O no hydrogen 3.020 N/A ARG 170.A NH1 MET 185.A O no hydrogen 3.181 N/A ARG 170.A NH2 MET 185.A O no hydrogen 2.935 N/A CYS 173.A N GLU 169.A O no hydrogen 2.955 N/A CYS 173.A SG VAL 168.A O no hydrogen 3.544 N/A CYS 173.A SG GLU 169.A O no hydrogen 3.458 N/A LYS 174.A N ARG 170.A O no hydrogen 2.918 N/A ALA 175.A N PRO 171.A O no hydrogen 2.989 N/A SER 176.A N VAL 172.A O no hydrogen 3.192 N/A SER 176.A N CYS 173.A O no hydrogen 3.145 N/A SER 176.A OG CYS 173.A O no hydrogen 2.716 N/A THR 177.A OG1 GLU 229.A OE1 no hydrogen 2.863 N/A ILE 179.A N THR 177.A OG1 no hydrogen 3.087 N/A ARG 180.A NE GLU 94A.A OE1 no hydrogen 3.178 N/A ARG 180.A NE GLU 94A.A OE2 no hydrogen 3.177 N/A ARG 180.A NH2 GLU 94A.A OE1 no hydrogen 3.050 N/A THR 182.A OG1 ASP 97.A OD2 no hydrogen 2.802 N/A ASN 184.A N THR 182.A OG1 no hydrogen 3.031 N/A ASN 184.A ND2 ASP 97.A OD2 no hydrogen 2.934 N/A MET 185.A N THR 182.A O no hydrogen 3.257 N/A PHE 186.A N TYR 240.A O no hydrogen 2.872 N/A ALA 188.A N GLY 238.A O no hydrogen 3.022 N/A GLY 189.A N PRO 166.A O no hydrogen 2.953 N/A LYS 191.A N ASP 194B.A OD2 no hydrogen 2.680 N/A LYS 191.A NZ GLU 169.A OE1 no hydrogen 3.352 N/A ARG 197.A NE ASP 232.A OD2 no hydrogen 2.734 N/A ARG 197.A NH2 ASP 232.A O no hydrogen 2.658 N/A ARG 197.A NH2 ASP 232.A OD2 no hydrogen 3.387 N/A GLY 198.A N ASP 232.A OD1 no hydrogen 3.011 N/A ASP 199.A N VAL 2.A O no hydrogen 3.257 N/A CYS 201.A N ASP 204.A OD2 no hydrogen 2.799 N/A CYS 201.A SG ARG 145.A O no hydrogen 3.687 N/A ASP 204.A N CYS 201.A O no hydrogen 2.798 N/A GLY 206.A N VAL 225.A O no hydrogen 2.815 N/A GLY 207.A N ASP 204.A O no hydrogen 2.870 N/A PHE 209.A N GLY 223.A O no hydrogen 2.848 N/A VAL 210.A N ARG 137.A O no hydrogen 2.796 N/A MET 211.A N TYR 220.A O no hydrogen 2.824 N/A SER 213.A N ARG 218.A O no hydrogen 2.844 N/A ASN 217.A N SER 213.A O no hydrogen 2.820 N/A TYR 220.A N MET 211.A O no hydrogen 2.674 N/A TYR 220.A OH ASN 216B.A OD1 no hydrogen 2.843 N/A GLN 221.A N CYS 119.A O no hydrogen 2.837 N/A GLN 221.A NE2 SER 31.A OG no hydrogen 2.573 N/A MET 222.A N PHE 209.A O no hydrogen 2.961 N/A GLY 223.A N PHE 209.A O no hydrogen 3.140 N/A ILE 224.A N THR 241.A O no hydrogen 3.251 N/A VAL 225.A N GLY 207.A O no hydrogen 2.857 N/A SER 226.A N PHE 239.A O no hydrogen 2.980 N/A SER 226.A OG ASP 99.A OD2 no hydrogen 2.505 N/A TRP 227.A N PHE 239.A O no hydrogen 3.195 N/A CYS 231.A N GLU 146.A OE2 no hydrogen 3.149 N/A CYS 231.A SG ALA 200.A O no hydrogen 3.854 N/A ASP 232.A N ASP 199.A OD2 no hydrogen 2.885 N/A LYS 234.A NZ LYS 191.A O no hydrogen 2.939 N/A LYS 234.A NZ LYS 196D.A O no hydrogen 3.119 N/A LYS 236.A N ARG 233A.A O no hydrogen 2.925 N/A LYS 236.A NZ SER 176.A O no hydrogen 2.719 N/A LYS 236.A NZ GLU 229.A OE1 no hydrogen 2.924 N/A GLY 238.A N ALA 188.A O no hydrogen 3.081 N/A PHE 239.A N TRP 227.A O no hydrogen 2.742 N/A TYR 240.A N PHE 186.A O no hydrogen 2.724 N/A THR 241.A N ILE 224.A O no hydrogen 2.972 N/A THR 241.A OG1 ASP 99.A O no hydrogen 2.785 N/A HIS 242.A N ASN 184.A O no hydrogen 2.897 N/A VAL 243.A N MET 222.A O no hydrogen 3.056 N/A ARG 245.A NE ASN 184.A OD1 no hydrogen 3.293 N/A ARG 245.A NH2 ASN 184.A OD1 no hydrogen 3.337 N/A LEU 246.A N VAL 243.A O no hydrogen 2.906 N/A LYS 247.A N PHE 244.A O no hydrogen 3.067 N/A LYS 247.A NZ PRO 121.A O no hydrogen 2.695 N/A ILE 250.A N LEU 246.A O no hydrogen 3.157 N/A GLN 251.A N LYS 247.A O no hydrogen 2.936 N/A LYS 252.A N ARG 248.A O no hydrogen 2.886 N/A VAL 253.A N TRP 249.A O no hydrogen 2.934 N/A ILE 254.A N ILE 250.A O no hydrogen 3.021 N/A ASP 255.A N GLN 251.A O no hydrogen 3.064 N/A GLN 256.A N LYS 252.A O no hydrogen 3.140 N/A GLN 256.A N VAL 253.A O no hydrogen 3.115 N/A PHE 257.A N VAL 253.A O no hydrogen 2.341 N/A GLY 258.A N VAL 253.A O no hydrogen 2.920 N/A TYR 47A.A N LYS 52F.A O no hydrogen 2.775 N/A GLU 94A.A N ASN 91.A OD1 no hydrogen 3.116 N/A THR 127A.A N LYS 123.A O no hydrogen 2.816 N/A THR 127A.A OG1 LYS 123.A O no hydrogen 3.356 N/A THR 127A.A OG1 GLN 124.A O no hydrogen 3.231 N/A THR 150A.A N GLU 154E.A OE1 no hydrogen 3.332 N/A PHE 215A.A N SER 213.A OG no hydrogen 3.015 N/A ARG 233A.A NH1 GLU 146.A OE1 no hydrogen 2.603 N/A ARG 233A.A NH1 GLU 146.A OE2 no hydrogen 3.431 N/A SER 128B.A N GLN 124.A O no hydrogen 3.087 N/A SER 128B.A OG GLN 124.A O no hydrogen 2.998 N/A SER 128B.A OG THR 125.A O no hydrogen 3.431 N/A ASN 151B.A N GLU 154E.A OE1 no hydrogen 2.842 N/A ASP 194B.A N LYS 191.A O no hydrogen 3.004 N/A LEU 129C.A N THR 125.A O no hydrogen 3.007 N/A TRP 50D.A N TYR 47A.A O no hydrogen 3.132 N/A ASP 51E.A N PRO 48B.A O no hydrogen 2.755 N/A GLU 154E.A N ASN 151B.A O no hydrogen 3.230 N/A LYS 52F.A N TYR 47A.A O no hydrogen 3.016 N/A LYS 52F.A NZ HIS 43.A O no hydrogen 3.337 N/A PHE 54H.A N ILE 45.A O no hydrogen 2.894 N/A THR 55I.A N ASP 58.A OD2 no hydrogen 2.795 N/A THR 55I.A OG1 ASP 58.A OD2 no hydrogen 3.448 N/A