Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2cir_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N THR 12.A O no hydrogen 2.750 N/A LYS 3.A N VAL 10.A O no hydrogen 2.927 N/A THR 5.A N GLU 8.A O no hydrogen 2.898 N/A THR 5.A OG1 GLU 8.A O no hydrogen 3.489 N/A VAL 9.A N ILE 23.A O no hydrogen 2.878 N/A VAL 10.A N LYS 3.A O no hydrogen 2.808 N/A LEU 11.A N VAL 21.A O no hydrogen 2.906 N/A THR 12.A N PRO 1.A O no hydrogen 2.844 N/A THR 12.A OG1 PRO 1.A O no hydrogen 3.434 N/A HIS 13.A N THR 19.A O no hydrogen 2.887 N/A ALA 15.A N HIS 13.A ND1 no hydrogen 3.035 N/A ASP 16.A N HIS 13.A O no hydrogen 3.111 N/A GLU 17.A N GLU 17.A OE1 no hydrogen 3.134 N/A THR 18.A N ASP 16.A OD1 no hydrogen 2.996 N/A THR 18.A OG1 ASP 16.A OD1 no hydrogen 2.627 N/A THR 18.A OG1 ASP 16.A OD2 no hydrogen 3.540 N/A THR 19.A N ASP 16.A O no hydrogen 2.950 N/A SER 20.A N LYS 34.A O no hydrogen 2.870 N/A VAL 21.A N LEU 11.A O no hydrogen 2.933 N/A HIS 22.A N SER 32.A O no hydrogen 2.975 N/A ILE 23.A N VAL 9.A O no hydrogen 2.848 N/A LEU 24.A N THR 29.A O no hydrogen 2.837 N/A LYS 25.A N LYS 7.A O no hydrogen 2.932 N/A LYS 25.A NZ GLU 4.A OE2 no hydrogen 2.788 N/A LYS 25.A NZ THR 5.A O no hydrogen 2.838 N/A GLY 27.A N SER 87.A O no hydrogen 2.716 N/A ALA 28.A N LYS 25.A O no hydrogen 3.058 N/A THR 29.A N LEU 24.A O no hydrogen 2.961 N/A THR 29.A OG1 TYR 26.A O no hydrogen 2.801 N/A TYR 31.A N HIS 22.A O no hydrogen 2.925 N/A TYR 31.A OH GLU 8.A OE2 no hydrogen 2.414 N/A SER 32.A OG GLU 39.A OE1 no hydrogen 2.614 N/A TRP 33.A N GLU 39.A OE2 no hydrogen 2.921 N/A LYS 34.A N SER 20.A O no hydrogen 2.796 N/A LEU 35.A N GLU 38.A O no hydrogen 2.911 N/A LYS 36.A N THR 19.A OG1 no hydrogen 2.845 N/A SER 37.A N THR 18.A O no hydrogen 2.878 N/A SER 37.A OG LYS 36.A O no hydrogen 2.703 N/A GLU 38.A N LEU 35.A O no hydrogen 2.987 N/A GLN 40.A N TRP 33.A O no hydrogen 2.792 N/A LEU 41.A N GLU 39.A OE2 no hydrogen 2.951 N/A TRP 42.A N TYR 160.A O no hydrogen 2.892 N/A SER 44.A N ARG 56.A O no hydrogen 3.068 N/A SER 44.A OG ASP 249.A O no hydrogen 2.546 N/A SER 44.A OG GLU 251.A O no hydrogen 3.203 N/A THR 45.A N GLU 251.A O no hydrogen 2.922 N/A ALA 46.A N SER 44.A OG no hydrogen 3.056 N/A ALA 47.A N SER 44.A O no hydrogen 3.141 N/A SER 52.A N ASP 50.A OD1 no hydrogen 3.074 N/A SER 52.A OG ASP 50.A OD1 no hydrogen 2.688 N/A LYS 53.A NZ ASP 249.A OD2 no hydrogen 3.152 N/A ARG 56.A NE ASP 249.A OD1 no hydrogen 3.083 N/A ARG 56.A NH1 TYR 160.A OH no hydrogen 3.081 N/A GLY 58.A N TRP 42.A O no hydrogen 2.829 N/A ILE 59.A N VAL 30.A O no hydrogen 2.793 N/A VAL 62.A N LEU 156.A O no hydrogen 2.871 N/A PHE 66.A N ASN 154.A OD1 no hydrogen 2.989 N/A GLY 67.A N HIS 81.A ND1 no hydrogen 2.911 N/A LYS 68.A NZ LEU 78.A O no hydrogen 2.890 N/A ASN 69.A ND2 THR 71.A OG1 no hydrogen 3.305 N/A THR 71.A N ASN 69.A OD1 no hydrogen 3.012 N/A ASP 72.A N ASN 69.A OD1 no hydrogen 2.771 N/A HIS 74.A N ASP 72.A OD2 no hydrogen 2.986 N/A LEU 75.A N ASP 72.A OD2 no hydrogen 2.869 N/A SER 76.A N ASP 72.A O no hydrogen 3.052 N/A SER 76.A OG ASP 72.A O no hydrogen 2.732 N/A SER 76.A OG GLU 73.A O no hydrogen 3.313 N/A LYS 77.A N HIS 74.A O no hydrogen 3.026 N/A LEU 78.A N LEU 75.A O no hydrogen 3.154 N/A HIS 81.A N GLY 67.A O no hydrogen 2.954 N/A GLY 82.A N PRO 79.A O no hydrogen 3.061 N/A LEU 83.A N PHE 63.A O no hydrogen 2.880 N/A ALA 84.A N PHE 63.A O no hydrogen 3.157 N/A ARG 85.A NH2 GLN 80.A O no hydrogen 3.039 N/A ASN 86.A N LEU 83.A O no hydrogen 3.345 N/A SER 87.A OG LEU 83.A O no hydrogen 2.787 N/A TRP 89.A N LYS 25.A O no hydrogen 2.978 N/A TRP 89.A NE1 ALA 84.A O no hydrogen 3.036 N/A GLU 90.A N GLY 105.A O no hydrogen 2.886 N/A LEU 92.A N GLN 103.A O no hydrogen 2.891 N/A GLN 94.A NE2 GLU 97.A OE1 no hydrogen 2.688 N/A THR 95.A N THR 101.A O no hydrogen 2.797 N/A THR 95.A OG1 THR 101.A O no hydrogen 3.444 N/A THR 101.A N LYS 96.A O no hydrogen 3.062 N/A THR 101.A OG1 PRO 99.A O no hydrogen 2.791 N/A VAL 102.A N VAL 129.A O no hydrogen 2.961 N/A GLN 103.A N GLY 93.A O no hydrogen 2.981 N/A GLN 103.A NE2 THR 128.A OG1 no hydrogen 2.991 N/A PHE 104.A N LEU 127.A O no hydrogen 2.865 N/A GLY 105.A N GLU 90.A O no hydrogen 2.798 N/A LEU 106.A N LEU 125.A O no hydrogen 2.957 N/A ILE 110.A N LYS 107.A O no hydrogen 3.066 N/A ALA 111.A N PRO 108.A O no hydrogen 3.148 N/A ASN 112.A N SER 87.A OG no hydrogen 2.891 N/A ASN 112.A ND2 ASN 86.A O no hydrogen 3.181 N/A LEU 115.A N ASN 112.A OD1 no hydrogen 3.064 N/A THR 116.A N ASN 112.A O no hydrogen 2.921 N/A THR 116.A OG1 ASN 112.A O no hydrogen 2.758 N/A LYS 117.A N PRO 113.A O no hydrogen 3.033 N/A LEU 118.A N GLU 114.A O no hydrogen 3.255 N/A TRP 119.A N LEU 115.A O no hydrogen 3.000 N/A LEU 124.A N GLU 143.A O no hydrogen 2.978 N/A LEU 125.A N LEU 106.A O no hydrogen 2.807 N/A ILE 126.A N GLU 141.A O no hydrogen 3.007 N/A LEU 127.A N PHE 104.A O no hydrogen 2.837 N/A THR 128.A N ALA 139.A O no hydrogen 2.830 N/A VAL 129.A N VAL 102.A O no hydrogen 2.918 N/A GLU 130.A N LYS 137.A O no hydrogen 2.924 N/A LEU 131.A N PRO 100.A O no hydrogen 2.945 N/A GLY 132.A N TYR 135.A O no hydrogen 2.892 N/A TYR 135.A OH GLU 130.A OE2 no hydrogen 2.590 N/A LEU 136.A N LEU 285.A O no hydrogen 2.922 N/A LYS 137.A N GLU 130.A O no hydrogen 2.962 N/A LYS 137.A NZ GLU 130.A OE1 no hydrogen 3.070 N/A THR 138.A N GLN 283.A O no hydrogen 2.966 N/A ALA 139.A N THR 128.A O no hydrogen 2.748 N/A ILE 140.A N ALA 281.A O no hydrogen 2.904 N/A GLU 141.A N ILE 126.A O no hydrogen 2.946 N/A VAL 142.A N TRP 279.A O no hydrogen 2.815 N/A GLU 143.A N LEU 124.A O no hydrogen 2.881 N/A ASN 144.A N LYS 277.A O no hydrogen 2.959 N/A ASN 144.A ND2 LYS 149.A O no hydrogen 2.821 N/A ASN 144.A ND2 LEU 273.A O no hydrogen 2.896 N/A SER 146.A N ASN 144.A OD1 no hydrogen 2.991 N/A SER 148.A N SER 146.A OG no hydrogen 3.054 N/A LYS 149.A N SER 146.A OG no hydrogen 2.879 N/A LEU 151.A N LEU 273.A O no hydrogen 2.896 N/A LYS 152.A NZ ASP 72.A OD1 no hydrogen 3.117 N/A PHE 153.A N ILE 271.A O no hydrogen 2.969 N/A ASN 154.A N PRO 64.A O no hydrogen 2.757 N/A ASN 154.A ND2 HIS 266.A O no hydrogen 3.409 N/A TRP 155.A N HIS 266.A O no hydrogen 3.265 N/A LEU 156.A N VAL 62.A O no hydrogen 2.968 N/A PHE 157.A N PRO 264.A O no hydrogen 3.048 N/A HIS 158.A N PRO 60.A O no hydrogen 2.869 N/A HIS 158.A ND1 HIS 158.A O no hydrogen 2.900 N/A THR 159.A N PHE 157.A O no hydrogen 2.990 N/A THR 159.A OG1 GLN 283.A OE1 no hydrogen 2.673 N/A TYR 160.A N GLY 58.A O no hydrogen 2.953 N/A PHE 161.A N ILE 260.A O no hydrogen 2.899 N/A ARG 162.A N GLN 40.A O no hydrogen 2.918 N/A ARG 162.A NE LEU 41.A O no hydrogen 3.408 N/A ILE 163.A N GLN 258.A O no hydrogen 2.910 N/A ILE 166.A N GLN 257.A O no hydrogen 2.818 N/A GLY 168.A N ASP 165.A O no hydrogen 3.079 N/A THR 169.A N ILE 166.A O no hydrogen 3.092 N/A THR 169.A OG1 ASP 165.A O no hydrogen 2.750 N/A MET 170.A N VAL 217.A O no hydrogen 3.003 N/A VAL 171.A N VAL 195.A O no hydrogen 2.904 N/A SER 172.A N GLN 215.A O no hydrogen 2.831 N/A SER 172.A OG GLN 215.A O no hydrogen 3.474 N/A GLY 176.A N ASP 190.A O no hydrogen 2.777 N/A MET 177.A N LEU 174.A O no hydrogen 3.201 N/A LEU 179.A N TYR 188.A O no hydrogen 2.896 N/A TYR 180.A N ILE 204.A O no hydrogen 2.864 N/A ASP 181.A N GLU 186.A O no hydrogen 2.797 N/A GLN 182.A N ASP 202.A O no hydrogen 2.835 N/A LEU 183.A N ASP 181.A OD1 no hydrogen 2.873 N/A LEU 184.A N ASP 181.A OD1 no hydrogen 3.071 N/A LYS 185.A N ASP 181.A O no hydrogen 2.823 N/A LYS 185.A NZ GLN 182.A O no hydrogen 2.749 N/A TYR 188.A N LEU 179.A O no hydrogen 2.969 N/A TYR 188.A OH ASP 181.A OD2 no hydrogen 2.565 N/A ASP 190.A N MET 177.A O no hydrogen 2.924 N/A HIS 192.A N ASP 190.A OD1 no hydrogen 2.923 N/A VAL 195.A N VAL 171.A O no hydrogen 2.931 N/A ASN 198.A ND2 GLN 199.A OE1 no hydrogen 2.952 N/A THR 201.A N ASN 238.A O no hydrogen 3.059 N/A THR 201.A OG1 GLN 199.A O no hydrogen 2.929 N/A VAL 203.A N VAL 236.A O no hydrogen 3.017 N/A ILE 204.A N TYR 180.A O no hydrogen 2.794 N/A TYR 205.A N THR 234.A O no hydrogen 2.785 N/A TYR 205.A OH ASP 190.A OD2 no hydrogen 2.604 N/A GLN 206.A N LYS 178.A O no hydrogen 3.006 N/A VAL 208.A N PRO 232.A O no hydrogen 2.751 N/A GLU 211.A N SER 209.A OG no hydrogen 2.949 N/A ARG 212.A N SER 209.A O no hydrogen 3.184 N/A ARG 212.A NH1 ASN 173.A O no hydrogen 2.948 N/A ILE 214.A N LEU 226.A O no hydrogen 3.014 N/A GLN 215.A N SER 172.A O no hydrogen 3.339 N/A GLN 215.A NE2 HIS 224.A O no hydrogen 3.135 N/A GLN 215.A NE2 THR 225.A OG1 no hydrogen 2.192 N/A ILE 216.A N HIS 224.A O no hydrogen 2.899 N/A VAL 217.A N MET 170.A O no hydrogen 2.786 N/A ASP 218.A N VAL 221.A O no hydrogen 2.862 N/A LYS 219.A NZ ASP 218.A OD1 no hydrogen 3.485 N/A VAL 221.A N ASP 218.A O no hydrogen 2.784 N/A ILE 223.A N ILE 216.A O no hydrogen 2.851 N/A HIS 224.A N ILE 216.A O no hydrogen 3.389 N/A HIS 224.A NE2 ARG 162.A O no hydrogen 2.810 N/A LEU 226.A N ILE 214.A O no hydrogen 2.864 N/A LYS 227.A N LEU 284.A O no hydrogen 2.833 N/A LYS 227.A NZ GLU 287.A OE2 no hydrogen 3.263 N/A ARG 228.A NH1 LEU 231.A O no hydrogen 2.814 N/A ARG 228.A NH1 ASP 233.A O no hydrogen 2.975 N/A ARG 228.A NH1 THR 234.A OG1 no hydrogen 2.983 N/A ARG 228.A NH2 THR 234.A OG1 no hydrogen 2.847 N/A TYR 229.A N TYR 282.A O no hydrogen 2.961 N/A ASN 230.A ND2 ASN 280.A O no hydrogen 2.815 N/A ASP 233.A N GLY 265.A O no hydrogen 2.858 N/A THR 234.A N TYR 205.A O no hydrogen 2.956 N/A VAL 235.A N GLU 263.A O no hydrogen 2.876 N/A VAL 236.A N VAL 203.A O no hydrogen 2.890 N/A TRP 237.A N CYS 261.A O no hydrogen 2.994 N/A ASN 238.A N THR 201.A O no hydrogen 2.957 N/A ASN 238.A ND2 TYR 256.A O no hydrogen 2.833 N/A ASN 238.A ND2 MET 259.A O no hydrogen 2.850 N/A TRP 240.A N ASN 238.A OD1 no hydrogen 2.857 N/A SER 244.A N TRP 240.A O no hydrogen 3.384 N/A SER 244.A OG TRP 240.A O no hydrogen 2.664 N/A GLN 245.A N ILE 241.A O no hydrogen 2.956 N/A GLY 246.A N GLU 242.A O no hydrogen 3.063 N/A MET 247.A N SER 244.A O no hydrogen 3.229 N/A PHE 250.A N MET 247.A O no hydrogen 3.038 N/A GLU 251.A N SER 44.A OG no hydrogen 2.791 N/A LYS 253.A NZ SER 244.A O no hydrogen 2.872 N/A LYS 253.A NZ GLN 245.A O no hydrogen 3.276 N/A LYS 253.A NZ PHE 250.A O no hydrogen 2.808 N/A GLY 255.A N PRO 252.A O no hydrogen 2.791 N/A GLN 257.A N THR 254.A O no hydrogen 2.977 N/A GLN 257.A NE2 TYR 256.A OH no hydrogen 3.154 N/A GLN 258.A N GLY 255.A O no hydrogen 2.973 N/A GLN 258.A NE2 GLU 164.A O no hydrogen 3.130 N/A ILE 260.A N PHE 161.A O no hydrogen 3.046 N/A CYS 261.A N TRP 237.A O no hydrogen 3.137 N/A CYS 261.A SG THR 159.A O no hydrogen 3.702 N/A ILE 262.A N THR 159.A O no hydrogen 3.316 N/A GLU 263.A N VAL 235.A O no hydrogen 2.775 N/A GLY 265.A N ASP 233.A O no hydrogen 2.919 N/A HIS 266.A N TRP 155.A O no hydrogen 2.699 N/A HIS 266.A NE2 ASP 269.A OD1 no hydrogen 2.711 N/A VAL 267.A N ASP 233.A OD2 no hydrogen 2.794 N/A HIS 268.A N ASP 233.A OD2 no hydrogen 2.876 N/A HIS 268.A ND1 ASP 233.A OD2 no hydrogen 2.930 N/A ILE 271.A N PHE 153.A O no hydrogen 2.846 N/A LEU 273.A N LEU 151.A O no hydrogen 2.800 N/A GLY 276.A N ASN 144.A O no hydrogen 2.784 N/A LYS 277.A N ALA 274.A O no hydrogen 3.002 N/A LYS 277.A NZ PRO 275.A O no hydrogen 3.316 N/A TRP 279.A N VAL 142.A O no hydrogen 2.933 N/A ALA 281.A N ILE 140.A O no hydrogen 3.024 N/A TYR 282.A N TYR 229.A O no hydrogen 3.053 N/A GLN 283.A N THR 138.A O no hydrogen 2.974 N/A GLN 283.A NE2 THR 138.A OG1 no hydrogen 3.297 N/A LEU 284.A N LYS 227.A O no hydrogen 2.824 N/A LEU 285.A N LEU 136.A O no hydrogen 2.872 N/A LYS 286.A NZ ILE 223.A O no hydrogen 3.293 N/A