Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8cir_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A OG.A SER 74.A OG no hydrogen 3.230 N/A VAL 7.A N PHE 18.A O no hydrogen 2.765 N/A ARG 8.A N LEU 76.A O no hydrogen 2.861 N/A ARG 8.A NE GLU 17.A OE2 no hydrogen 3.300 N/A ARG 8.A NH2 GLU 17.A OE2 no hydrogen 3.090 N/A VAL 9.A N LEU 16.A O no hydrogen 2.937 N/A THR 10.A N PHE 78.A O no hydrogen 2.990 N/A THR 11.A N ALA 14.A O no hydrogen 2.853 N/A THR 11.A OG1 ASP 13.A OD1 no hydrogen 3.531 N/A THR 11.A OG1 ALA 14.A O no hydrogen 3.459 N/A ASP 13.A N THR 11.A OG1 no hydrogen 3.107 N/A LEU 16.A N VAL 9.A O no hydrogen 2.745 N/A PHE 18.A N VAL 7.A O no hydrogen 2.787 N/A ILE 20.A N ILE 5.A O no hydrogen 2.958 N/A GLN 21.A N THR 24.A OG1 no hydrogen 2.977 N/A THR 24.A N GLN 21.A O no hydrogen 3.134 N/A THR 24.A OG1 GLN 21.A O no hydrogen 3.270 N/A THR 25.A N GLN 28.A OE1 no hydrogen 2.933 N/A GLY 26.A N LYS 63.A O no hydrogen 2.871 N/A LYS 27.A N LEU 61.A O no hydrogen 2.915 N/A LYS 27.A NZ ASP 31.A OD1 no hydrogen 3.049 N/A LYS 27.A NZ ASP 31.A OD2 no hydrogen 3.122 N/A GLN 28.A N THR 25.A OG1 no hydrogen 3.137 N/A LEU 29.A N THR 25.A O no hydrogen 3.112 N/A PHE 30.A N GLY 26.A O no hydrogen 2.892 N/A ASP 31.A N LYS 27.A O no hydrogen 2.788 N/A GLN 32.A N GLN 28.A O no hydrogen 3.158 N/A GLN 32.A NE2 GLN 28.A O no hydrogen 3.519 N/A VAL 33.A N LEU 29.A O no hydrogen 3.009 N/A VAL 34.A N PHE 30.A O no hydrogen 3.020 N/A LYS 35.A N ASP 31.A O no hydrogen 3.074 N/A THR 36.A N GLN 32.A O no hydrogen 3.029 N/A THR 36.A OG1 GLN 32.A O no hydrogen 2.779 N/A ILE 37.A N VAL 33.A O no hydrogen 3.085 N/A LEU 39.A N VAL 34.A O no hydrogen 2.958 N/A ARG 40.A NH1 GLN 304.A OE1 no hydrogen 3.106 N/A ARG 40.A NH1 GLN 308.A OE1 no hydrogen 3.518 N/A ARG 40.A NH2 GLN 304.A OE1 no hydrogen 2.946 N/A VAL 42.A N ARG 40.A O no hydrogen 2.898 N/A PHE 45.A N VAL 42.A O no hydrogen 3.006 N/A GLY 46.A N ARG 81.A O no hydrogen 2.960 N/A GLN 48.A N LYS 79.A O no hydrogen 2.901 N/A TYR 49.A N THR 57.A O no hydrogen 2.815 N/A TYR 49.A OH GLN 68.A O no hydrogen 2.739 N/A ASP 51.A N PHE 55.A O no hydrogen 2.981 N/A THR 52.A N ASP 69.A O no hydrogen 3.243 N/A THR 52.A OG1 ASP 69.A OD1 no hydrogen 2.744 N/A THR 52.A OG1 ASP 69.A OD2 no hydrogen 2.743 N/A LYS 53.A N ASP 51.A OD1 no hydrogen 2.929 N/A GLY 54.A N ASP 51.A O no hydrogen 3.076 N/A PHE 55.A N ASP 51.A OD1 no hydrogen 2.899 N/A SER 56.A OG GLN 50.A OE1 no hydrogen 2.785 N/A THR 57.A N TYR 49.A O no hydrogen 2.742 N/A THR 57.A OG1 PHE 55.A O no hydrogen 2.861 N/A LEU 59.A N LEU 47.A O no hydrogen 2.749 N/A LYS 60.A N GLN 68.A OE1 no hydrogen 2.832 N/A LYS 60.A NZ TRP 58.A O no hydrogen 2.654 N/A LYS 63.A N LYS 60.A O no hydrogen 3.447 N/A LYS 64.A NZ ASN 23.A OD1 no hydrogen 3.208 N/A VAL 65.A N THR 24.A O no hydrogen 2.962 N/A THR 66.A OG1 PRO 22.A O no hydrogen 2.908 N/A ALA 67.A N LYS 64.A O no hydrogen 3.174 N/A GLN 68.A NE2 LYS 60.A O no hydrogen 2.943 N/A GLN 68.A NE2 LYS 63.A O no hydrogen 3.236 N/A GLN 68.A NE2 LYS 64.A O no hydrogen 3.142 N/A ARG 71.A N GLN 50.A O no hydrogen 3.043 N/A SER 74.A OG SER 6.A OG.A no hydrogen 3.230 N/A LEU 76.A N SER 6.A O no hydrogen 2.866 N/A PHE 78.A N ARG 8.A O no hydrogen 2.910 N/A LYS 79.A N GLN 48.A O no hydrogen 2.808 N/A PHE 80.A N THR 10.A O no hydrogen 2.914 N/A ARG 81.A N GLY 46.A O no hydrogen 3.101 N/A ARG 81.A NH1 GLU 108.A OE2 no hydrogen 2.831 N/A ALA 82.A N GLN 105.A OE1 no hydrogen 2.788 N/A LYS 83.A N PHE 44.A O no hydrogen 2.680 N/A PHE 84.A N PHE 44.A O no hydrogen 2.972 N/A ASP 88.A N GLU 92.A OE2 no hydrogen 3.076 N/A VAL 89.A N GLN 196.A OE1 no hydrogen 2.910 N/A GLU 91.A N ASP 88.A O no hydrogen 3.277 N/A GLU 91.A N ASP 88.A OD2 no hydrogen 3.006 N/A GLU 92.A N ASP 88.A O no hydrogen 3.057 N/A LEU 93.A N VAL 89.A O no hydrogen 2.972 N/A ILE 94.A N GLU 41.A OE2 no hydrogen 2.839 N/A GLN 95.A N GLU 41.A OE1 no hydrogen 2.884 N/A THR 98.A OG1 GLU 41.A OE1 no hydrogen 2.652 N/A GLN 99.A N GLN 95.A O no hydrogen 3.093 N/A GLN 99.A NE2 LEU 93.A O no hydrogen 2.900 N/A ARG 100.A N ASP 96.A O no hydrogen 2.908 N/A ARG 100.A NE.B ASP 13.A OD2 no hydrogen 2.841 N/A ARG 100.A NH2.B ASP 13.A OD2 no hydrogen 3.280 N/A LEU 101.A N ILE 97.A O no hydrogen 3.003 N/A PHE 102.A N THR 98.A O no hydrogen 3.030 N/A PHE 103.A N GLN 99.A O no hydrogen 2.844 N/A LEU 104.A N ARG 100.A O no hydrogen 2.927 N/A GLN 105.A N LEU 101.A O no hydrogen 3.202 N/A GLN 105.A NE2 ALA 82.A O no hydrogen 2.990 N/A VAL 106.A N PHE 102.A O no hydrogen 2.874 N/A LYS 107.A N PHE 103.A O no hydrogen 2.909 N/A GLU 108.A N LEU 104.A O no hydrogen 3.042 N/A GLY 109.A N GLN 105.A O no hydrogen 3.109 N/A ILE 110.A N VAL 106.A O no hydrogen 2.930 N/A LEU 111.A N LYS 107.A O no hydrogen 2.854 N/A ASN 112.A N GLU 108.A O no hydrogen 2.947 N/A ASP 113.A N ILE 110.A O no hydrogen 3.174 N/A ILE 115.A N GLY 109.A O no hydrogen 2.986 N/A CYS 117.A SG PRO 118.A O no hydrogen 3.602 N/A ALA 122.A N PRO 118.A O no hydrogen 2.905 N/A VAL 123.A N PRO 119.A O no hydrogen 2.943 N/A LEU 124.A N GLU 120.A O no hydrogen 3.091 N/A LEU 125.A N THR 121.A O no hydrogen 2.771 N/A ALA 126.A N ALA 122.A O no hydrogen 2.890 N/A SER 127.A N VAL 123.A O no hydrogen 2.990 N/A SER 127.A OG LEU 124.A O no hydrogen 2.578 N/A SER 127.A OG HIS 179.A NE2 no hydrogen 2.806 N/A TYR 128.A N LEU 124.A O no hydrogen 3.298 N/A ALA 129.A N LEU 125.A O no hydrogen 2.977 N/A VAL 130.A N ALA 126.A O no hydrogen 2.804 N/A GLN 131.A N SER 127.A O no hydrogen 2.962 N/A GLN 131.A NE2 ASP 136.A OD1 no hydrogen 2.808 N/A GLN 131.A NE2 MET 182.A O no hydrogen 2.978 N/A SER 132.A N TYR 128.A O no hydrogen 3.023 N/A LYS 133.A N ALA 129.A O no hydrogen 2.982 N/A LYS 133.A NZ TYR 134.A OH no hydrogen 3.427 N/A LYS 133.A NZ ASP 150.A OD1 no hydrogen 2.620 N/A TYR 134.A N VAL 130.A O no hydrogen 2.804 N/A TYR 134.A OH ASP 150.A OD1 no hydrogen 3.302 N/A TYR 134.A OH ASP 150.A OD2 no hydrogen 2.428 N/A GLY 135.A N GLN 131.A O no hydrogen 2.885 N/A ASN 138.A N HIS 142.A ND1 no hydrogen 2.978 N/A GLU 140.A N ASN 138.A OD1 no hydrogen 3.277 N/A VAL 141.A N ASN 138.A O no hydrogen 2.795 N/A HIS 142.A N ASN 138.A O no hydrogen 2.697 N/A LYS 143.A NZ GLU 140.A O no hydrogen 3.122 N/A GLY 145.A N GLU 169.A OE1 no hydrogen 2.762 N/A TYR 146.A N LYS 143.A O no hydrogen 2.827 N/A TYR 146.A OH HIS 176.A ND1 no hydrogen 2.883 N/A LEU 147.A N GLU 169.A OE2 no hydrogen 2.843 N/A ALA 148.A N GLY 145.A O no hydrogen 3.045 N/A ASP 150.A N LEU 147.A O no hydrogen 2.924 N/A GLN 155.A N ASP 113.A OD2 no hydrogen 3.264 N/A ARG 156.A N ASP 113.A OD1 no hydrogen 2.918 N/A ARG 156.A NE GLU 159.A OE1 no hydrogen 3.147 N/A ARG 156.A NH2 GLU 159.A OE2 no hydrogen 3.431 N/A LEU 158.A N PRO 154.A O no hydrogen 3.140 N/A GLU 159.A N GLN 155.A O no hydrogen 2.865 N/A GLN 160.A N ARG 156.A O no hydrogen 2.960 N/A ASN 164.A N GLN 167.A OE1 no hydrogen 2.817 N/A LYS 165.A NZ ALA 148.A O no hydrogen 2.888 N/A LYS 165.A NZ ASP 150.A O no hydrogen 2.987 N/A GLN 167.A N ASN 164.A OD1 no hydrogen 3.023 N/A TRP 168.A N ASN 164.A O no hydrogen 3.069 N/A GLU 169.A N LYS 165.A O no hydrogen 2.949 N/A GLU 170.A N ASP 166.A O no hydrogen 3.033 N/A ARG 171.A N GLN 167.A O no hydrogen 3.232 N/A ARG 171.A NH1 GLN 167.A O no hydrogen 3.263 N/A ILE 172.A N TRP 168.A O no hydrogen 3.059 N/A GLN 173.A N GLU 169.A O no hydrogen 2.868 N/A GLN 173.A NE2 GLU 177.A OE1 no hydrogen 3.309 N/A VAL 174.A N GLU 170.A O no hydrogen 3.137 N/A HIS 176.A N ILE 172.A O no hydrogen 2.817 N/A HIS 176.A ND1 TYR 146.A OH no hydrogen 2.883 N/A HIS 176.A NE2 GLY 135.A O no hydrogen 2.693 N/A GLU 177.A N GLN 173.A O no hydrogen 2.838 N/A GLU 178.A N VAL 174.A O no hydrogen 3.300 N/A HIS 179.A N HIS 176.A O no hydrogen 2.969 N/A HIS 179.A NE2 SER 127.A OG no hydrogen 2.806 N/A ARG 180.A N GLU 177.A O no hydrogen 3.275 N/A ARG 180.A NH1 PHE 137.A O no hydrogen 2.647 N/A ARG 180.A NH2 PHE 137.A O no hydrogen 3.224 N/A GLY 181.A N ASP 136.A OD1 no hydrogen 2.782 N/A GLY 181.A N ASP 136.A OD2 no hydrogen 3.419 N/A MET 182.A N HIS 179.A O no hydrogen 2.896 N/A ARG 184.A NH1 SER 132.A O no hydrogen 3.190 N/A ARG 184.A NH1 LYS 133.A O no hydrogen 2.911 N/A GLU 185.A N GLU 185.A OE2.A no hydrogen 2.941 N/A ALA 187.A N LEU 183.A O no hydrogen 3.046 N/A VAL 188.A N ARG 184.A O no hydrogen 3.102 N/A LEU 189.A N GLU 185.A O no hydrogen 3.231 N/A GLU 190.A N ASP 186.A O no hydrogen 2.890 N/A TYR 191.A N ALA 187.A O no hydrogen 2.909 N/A LEU 192.A N VAL 188.A O no hydrogen 3.071 N/A LYS 193.A N LEU 189.A O no hydrogen 2.931 N/A LYS 193.A NZ GLU 190.A OE1 no hydrogen 3.203 N/A ILE 194.A N GLU 190.A O no hydrogen 3.193 N/A ALA 195.A N TYR 191.A O no hydrogen 2.922 N/A GLN 196.A N LEU 192.A O no hydrogen 2.899 N/A GLN 196.A NE2 ASP 88.A OD1 no hydrogen 2.980 N/A ASP 197.A N ILE 194.A O no hydrogen 3.141 N/A LEU 198.A N ALA 195.A O no hydrogen 2.934 N/A TYR 201.A N LEU 198.A O no hydrogen 3.083 N/A VAL 203.A N MET 200.A O no hydrogen 3.319 N/A ASN 204.A N VAL 220.A O no hydrogen 3.135 N/A TYR 205.A OH ARG 233.A O no hydrogen 2.710 N/A PHE 206.A N LEU 218.A O no hydrogen 2.812 N/A ILE 208.A N LEU 216.A O no hydrogen 3.176 N/A LYS 209.A N TYR 270.A O no hydrogen 2.989 N/A ASN 210.A N SER 214.A O no hydrogen 3.001 N/A GLY 213.A N ASN 210.A O no hydrogen 2.965 N/A SER 214.A N ASN 210.A OD1 no hydrogen 2.923 N/A LEU 216.A N ILE 208.A O no hydrogen 2.925 N/A TRP 217.A N TYR 228.A O no hydrogen 2.944 N/A TRP 217.A NE1 GLN 230.A O no hydrogen 2.855 N/A LEU 218.A N PHE 206.A O no hydrogen 2.961 N/A GLY 219.A N ASN 226.A O no hydrogen 2.756 N/A VAL 220.A N ASN 204.A O no hydrogen 2.931 N/A ASP 221.A N GLY 224.A O no hydrogen 2.985 N/A LEU 223.A N ASP 221.A OD1 no hydrogen 2.960 N/A GLY 224.A N ASP 221.A O no hydrogen 3.216 N/A LEU 225.A N PHE 240.A O no hydrogen 2.981 N/A ASN 226.A N GLY 219.A O no hydrogen 2.915 N/A ILE 227.A N ILE 238.A O no hydrogen 2.850 N/A TYR 228.A N TRP 217.A O no hydrogen 2.808 N/A ASP 232.A N GLU 229.A O no hydrogen 3.205 N/A LEU 234.A N ASP 232.A OD1 no hydrogen 2.937 N/A THR 235.A N ASP 232.A OD1 no hydrogen 2.972 N/A LYS 237.A N ILE 227.A O no hydrogen 2.670 N/A ILE 238.A N ILE 227.A O no hydrogen 3.190 N/A PHE 240.A N LEU 225.A O no hydrogen 2.747 N/A TRP 242.A N LEU 223.A O no hydrogen 3.266 N/A TRP 242.A NE1 ALA 222.A O no hydrogen 2.872 N/A GLU 244.A N PRO 241.A O no hydrogen 2.860 N/A ILE 245.A N TRP 242.A O no hydrogen 2.927 N/A ARG 246.A N LYS 258.A O no hydrogen 2.733 N/A ARG 246.A NE PRO 259.A O no hydrogen 3.403 N/A ASN 247.A N LYS 258.A O no hydrogen 3.225 N/A SER 249.A N VAL 256.A O no hydrogen 3.129 N/A ASN 251.A N LYS 254.A O no hydrogen 2.767 N/A LYS 254.A N ASN 251.A O no hydrogen 3.044 N/A PHE 255.A N PHE 269.A O no hydrogen 2.840 N/A VAL 256.A N SER 249.A O no hydrogen 3.011 N/A ILE 257.A N PHE 267.A O no hydrogen 2.845 N/A LYS 258.A N ASN 247.A O no hydrogen 2.840 N/A LYS 258.A NZ ASP 266.A OD2 no hydrogen 2.815 N/A ILE 260.A N GLU 244.A O no hydrogen 2.931 N/A LYS 263.A N ASP 261.A OD1 no hydrogen 2.951 N/A ALA 264.A N ASP 261.A O no hydrogen 3.304 N/A PHE 267.A N ILE 257.A O no hydrogen 2.804 N/A PHE 269.A N PHE 255.A O no hydrogen 2.976 N/A TYR 270.A N LYS 209.A O no hydrogen 2.864 N/A ALA 271.A N LYS 253.A O no hydrogen 2.909 N/A ARG 275.A NH1 ASP 51.A OD2 no hydrogen 2.750 N/A ARG 275.A NH2 ASP 51.A OD2 no hydrogen 3.033 N/A ILE 276.A N ARG 273.A O no hydrogen 3.061 N/A ASN 277.A ND2 ASP 252.A O no hydrogen 2.980 N/A LYS 278.A N LEU 274.A O no hydrogen 2.985 N/A ARG 279.A N ARG 275.A O no hydrogen 2.962 N/A ARG 279.A NH1 SER 56.A O no hydrogen 2.758 N/A ARG 279.A NH2 SER 56.A O no hydrogen 3.080 N/A ILE 280.A N ILE 276.A O no hydrogen 2.874 N/A LEU 281.A N ASN 277.A O no hydrogen 2.943 N/A ALA 282.A N LYS 278.A O no hydrogen 2.962 N/A LEU 283.A N ARG 279.A O no hydrogen 3.104 N/A CYS 284.A N ILE 280.A O no hydrogen 2.904 N/A CYS 284.A SG ILE 280.A O no hydrogen 3.253 N/A MET 285.A N LEU 281.A O no hydrogen 2.941 N/A GLY 286.A N ALA 282.A O no hydrogen 3.015 N/A ASN 287.A N LEU 283.A O no hydrogen 2.991 N/A ASN 287.A ND2 LEU 283.A O no hydrogen 2.988 N/A HIS 288.A N CYS 284.A O no hydrogen 2.852 N/A GLU 289.A N MET 285.A O no hydrogen 2.992 N/A LEU 290.A N GLY 286.A O no hydrogen 3.110 N/A TYR 291.A N ASN 287.A O no hydrogen 2.899 N/A MET 292.A N HIS 288.A O no hydrogen 3.022 N/A ARG 293.A N GLU 289.A O no hydrogen 2.850 N/A ARG 293.A NE GLU 289.A OE1 no hydrogen 2.960 N/A ARG 293.A NH1 GLU 289.A OE1 no hydrogen 3.431 N/A ARG 294.A N LEU 290.A O no hydrogen 3.071 N/A ARG 294.A NE GLU 92.A OE1 no hydrogen 2.680 N/A ARG 294.A NH1 GLU 87.A OE1 no hydrogen 2.924 N/A ARG 294.A NH2 GLU 92.A OE1 no hydrogen 3.543 N/A ARG 295.A N MET 292.A O no hydrogen 3.117 N/A ARG 295.A NH1 GLU 87.A OE1 no hydrogen 3.541 N/A ARG 295.A NH1 GLU 87.A OE2 no hydrogen 2.906 N/A ARG 295.A NH2 GLU 87.A OE1 no hydrogen 2.955 N/A ARG 295.A NH2 TYR 291.A O no hydrogen 2.967 N/A LYS 296.A N ARG 293.A O no hydrogen 3.087 N/A VAL 302.A N THR 299.A OG1 no hydrogen 3.083 N/A GLN 303.A N THR 299.A O no hydrogen 3.019 N/A GLN 304.A N ILE 300.A O no hydrogen 2.981 N/A GLN 304.A NE2 GLN 308.A OE1 no hydrogen 3.233 N/A MET 305.A N GLU 301.A O no hydrogen 3.015 N/A LYS 306.A N VAL 302.A O no hydrogen 2.884 N/A LYS 306.A NZ ASP 298.A OD2 no hydrogen 2.790 N/A ALA 307.A N GLN 303.A O no hydrogen 2.956 N/A GLN 308.A N GLN 304.A O no hydrogen 2.829 N/A GLN 308.A NE2 GLU 312.A OE2.A no hydrogen 3.387 N/A ALA 309.A N MET 305.A O no hydrogen 2.881 N/A ARG 310.A N LYS 306.A O no hydrogen 3.056 N/A GLU 311.A N ALA 307.A O no hydrogen 3.016 N/A GLU 312.A N GLN 308.A O no hydrogen 2.925 N/A LYS 313.A N ALA 309.A O no hydrogen 3.013 N/A HIS 314.A N ARG 310.A O no hydrogen 2.978 N/A GLN 315.A N GLU 311.A O no hydrogen 2.993 N/A GLN 315.A NE2 GLU 319.A OE2 no hydrogen 3.051 N/A LYS 316.A N GLU 312.A O no hydrogen 3.015 N/A GLN 317.A N LYS 313.A O no hydrogen 3.006 N/A MET 318.A N HIS 314.A O no hydrogen 3.123 N/A GLU 319.A N GLN 315.A O no hydrogen 3.018 N/A ARG 320.A N LYS 316.A O no hydrogen 2.951 N/A ARG 320.A NH2 GLY 181.A O no hydrogen 2.805 N/A ALA 321.A N GLN 317.A O no hydrogen 3.011 N/A MET 322.A N MET 318.A O no hydrogen 3.060 N/A LEU 323.A N GLU 319.A O no hydrogen 3.023 N/A GLU 324.A N ARG 320.A O no hydrogen 3.053 N/A ASN 325.A N ALA 321.A O no hydrogen 3.113 N/A GLU 326.A N MET 322.A O no hydrogen 2.946 N/A LYS 327.A N LEU 323.A O no hydrogen 3.011 N/A LYS 328.A N GLU 324.A O no hydrogen 3.114 N/A LYS 329.A N ASN 325.A O no hydrogen 2.977 N/A LYS 329.A NZ GLU 326.A OE2 no hydrogen 2.973 N/A ARG 330.A N GLU 326.A O no hydrogen 2.971 N/A GLU 331.A N LYS 327.A O no hydrogen 2.921 N/A MET 332.A N LYS 328.A O no hydrogen 2.939 N/A ALA 333.A N LYS 329.A O no hydrogen 3.019 N/A GLU 334.A N ARG 330.A O no hydrogen 2.819 N/A LYS 335.A N MET 332.A O no hydrogen 3.103 N/A GLU 336.A N MET 332.A O no hydrogen 2.907 N/A