Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cdx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N SER 1.A OG no hydrogen 2.997 N/A ALA 4.A N ARG 20.A O no hydrogen 3.034 N/A ASP 8.A N GLN 15.A OE1 no hydrogen 2.861 N/A ASP 10.A N ASP 8.A OD1 no hydrogen 3.091 N/A ARG 11.A N ASP 8.A O no hydrogen 3.090 N/A GLY 13.A N LYS 41.A O no hydrogen 2.724 N/A ARG 14.A NH2 ALA 69.A O no hydrogen 2.887 N/A GLN 15.A N VAL 39.A O no hydrogen 2.824 N/A GLN 15.A NE2 ASP 8.A O no hydrogen 2.825 N/A GLY 17.A N ILE 37.A O no hydrogen 2.782 N/A ALA 19.A N ILE 35.A O no hydrogen 2.847 N/A ARG 20.A N ALA 4.A O no hydrogen 2.715 N/A ARG 20.A NH1 ASP 6.A OD2 no hydrogen 3.062 N/A ARG 20.A NH2 ASP 6.A OD1 no hydrogen 3.422 N/A ARG 20.A NH2 ASP 6.A OD2 no hydrogen 3.041 N/A ALA 21.A N VAL 33.A O no hydrogen 2.868 N/A LEU 23.A N GLY 31.A O no hydrogen 2.821 N/A SER 24.A OG GLY 29.A O no hydrogen 3.309 N/A ARG 25.A N SER 28.A O no hydrogen 2.840 N/A SER 28.A N ARG 25.A O no hydrogen 3.190 N/A GLY 31.A N SER 28.A O no hydrogen 3.216 N/A VAL 33.A N ALA 21.A O no hydrogen 2.691 N/A ILE 35.A N ALA 19.A O no hydrogen 2.906 N/A ILE 37.A N GLY 17.A O no hydrogen 2.875 N/A THR 38.A N MET 83.A O no hydrogen 3.138 N/A VAL 39.A N GLN 15.A O no hydrogen 2.747 N/A VAL 40.A N VAL 81.A O no hydrogen 3.003 N/A LYS 41.A N GLY 13.A O no hydrogen 2.794 N/A ASN 42.A N GLY 79.A O no hydrogen 3.145 N/A ASN 42.A ND2 VAL 77.A O no hydrogen 2.774 N/A SER 44.A N GLN 78.A OE1 no hydrogen 3.053 N/A THR 47.A N ASP 135.A OD2 no hydrogen 2.507 N/A VAL 48.A N ARG 80.A O no hydrogen 2.778 N/A LEU 49.A N ILE 136.A O no hydrogen 2.866 N/A LEU 50.A N ILE 82.A O no hydrogen 2.879 N/A THR 51.A N VAL 138.A O no hydrogen 3.026 N/A THR 51.A OG1 ASP 139.A OD1 no hydrogen 2.727 N/A GLY 52.A N LEU 84.A O no hydrogen 2.840 N/A HIS 55.A ND1 GLU 58.A OE2 no hydrogen 3.057 N/A HIS 55.A NE2 ASP 105.A OD1 no hydrogen 2.724 N/A GLU 58.A N HIS 55.A O no hydrogen 3.271 N/A TYR 59.A OH ASP 95.A OD1 no hydrogen 2.587 N/A TYR 59.A OH ASP 95.A OD2 no hydrogen 2.827 N/A TYR 59.A OH GLY 206.A O no hydrogen 3.243 N/A GLN 62.A NE2 GLY 56.A O no hydrogen 3.094 N/A GLN 62.A NE2 GLU 58.A O no hydrogen 3.190 N/A ILE 63.A N TYR 59.A O no hydrogen 3.045 N/A ALA 64.A N GLU 60.A O no hydrogen 2.925 N/A ILE 65.A N GLY 61.A O no hydrogen 3.005 N/A SER 66.A N GLN 62.A O no hydrogen 3.273 N/A SER 66.A OG GLN 62.A O no hydrogen 2.911 N/A SER 66.A OG ILE 63.A O no hydrogen 3.509 N/A ASP 67.A N ILE 63.A O no hydrogen 3.046 N/A LEU 68.A N ALA 64.A O no hydrogen 3.115 N/A ALA 69.A N ILE 65.A O no hydrogen 2.852 N/A ARG 70.A N SER 66.A O no hydrogen 3.059 N/A ARG 70.A N ASP 67.A O no hydrogen 3.250 N/A ARG 71.A N ASP 67.A O no hydrogen 3.296 N/A ARG 71.A N LEU 68.A O no hydrogen 3.167 N/A LEU 72.A N LEU 68.A O no hydrogen 2.853 N/A ARG 73.A N GLU 76.A OE2 no hydrogen 2.829 N/A GLU 76.A N ARG 73.A O no hydrogen 2.998 N/A VAL 77.A N PRO 74.A O no hydrogen 3.082 N/A GLN 78.A N VAL 229.A O no hydrogen 2.673 N/A GLY 79.A N ASN 42.A O no hydrogen 2.736 N/A ARG 80.A N PRO 46.A O no hydrogen 3.061 N/A ARG 80.A NE THR 47.A OG1 no hydrogen 2.872 N/A ARG 80.A NH1 THR 47.A OG1 no hydrogen 3.011 N/A ARG 80.A NH2 PHE 9.A O no hydrogen 2.824 N/A VAL 81.A N VAL 40.A O no hydrogen 2.971 N/A ILE 82.A N VAL 48.A O no hydrogen 3.047 N/A MET 83.A N THR 38.A O no hydrogen 2.913 N/A LEU 84.A N LEU 50.A O no hydrogen 2.904 N/A VAL 87.A N GLY 52.A O no hydrogen 2.949 N/A ASN 88.A N GLY 53.A O no hydrogen 2.965 N/A ASN 88.A ND2 VAL 54.A O no hydrogen 3.108 N/A ILE 92.A N ASN 88.A O no hydrogen 2.933 N/A GLN 93.A N MET 89.A O no hydrogen 2.931 N/A GLN 93.A NE2 MET 89.A O no hydrogen 3.634 N/A SER 94.A N PRO 90.A O no hydrogen 3.084 N/A SER 94.A OG PRO 90.A O no hydrogen 3.276 N/A SER 94.A OG ALA 91.A O no hydrogen 3.197 N/A SER 94.A OG THR 96.A OG1 no hydrogen 2.725 N/A ASP 95.A N ILE 92.A O no hydrogen 3.018 N/A THR 96.A N ALA 91.A O no hydrogen 2.846 N/A THR 96.A OG1 SER 94.A OG no hydrogen 2.725 N/A THR 96.A OG1 LEU 98.A O no hydrogen 2.619 N/A ARG 97.A NE ASP 105.A OD2 no hydrogen 3.064 N/A SER 99.A N ARG 104.A O no hydrogen 2.850 N/A SER 99.A OG ASP 102.A OD1 no hydrogen 3.250 N/A SER 99.A OG SER 119.A OG no hydrogen 3.412 N/A VAL 101.A N SER 99.A OG no hydrogen 3.138 N/A GLY 103.A N SER 99.A O no hydrogen 2.719 N/A ARG 104.A N ASP 102.A OD1 no hydrogen 3.148 N/A ASN 107.A N ASP 105.A OD1 no hydrogen 2.994 N/A ARG 108.A N ASP 105.A O no hydrogen 2.831 N/A ARG 108.A NH1 ASN 107.A O no hydrogen 3.279 N/A CYS 109.A N ILE 106.A O no hydrogen 2.910 N/A CYS 109.A SG ASP 105.A O no hydrogen 3.533 N/A PHE 110.A N SER 184.A O no hydrogen 3.002 N/A ASP 113.A N GLN 120.A O no hydrogen 3.149 N/A ARG 115.A N ASP 113.A OD1 no hydrogen 2.848 N/A GLY 116.A N ASP 113.A O no hydrogen 3.101 N/A THR 117.A N GLN 120.A OE1 no hydrogen 2.983 N/A THR 117.A OG1 ASP 102.A OD2 no hydrogen 2.752 N/A THR 117.A OG1 GLN 120.A OE1 no hydrogen 3.417 N/A SER 119.A N ASP 102.A OD2 no hydrogen 2.796 N/A SER 119.A OG ASP 102.A OD1 no hydrogen 2.646 N/A SER 119.A OG ASP 102.A OD2 no hydrogen 3.075 N/A MET 121.A N THR 117.A O no hydrogen 2.870 N/A LEU 122.A N PHE 118.A O no hydrogen 2.875 N/A ALA 123.A N SER 119.A O no hydrogen 2.876 N/A HIS 124.A N GLN 120.A O no hydrogen 3.040 N/A PHE 125.A N MET 121.A O no hydrogen 3.048 N/A LEU 126.A N LEU 122.A O no hydrogen 3.131 N/A ASP 127.A N ALA 123.A O no hydrogen 3.151 N/A SER 128.A N HIS 124.A O no hydrogen 2.739 N/A VAL 129.A N PHE 125.A O no hydrogen 2.940 N/A ILE 130.A N PHE 125.A O no hydrogen 3.280 N/A LEU 131.A N LEU 126.A O no hydrogen 2.768 N/A MET 133.A N ILE 130.A O no hydrogen 3.092 N/A ALA 134.A N LEU 131.A O no hydrogen 3.065 N/A ASP 135.A N THR 47.A O no hydrogen 2.913 N/A ILE 136.A N THR 47.A O no hydrogen 3.256 N/A SER 137.A N VAL 196.A O no hydrogen 2.854 N/A VAL 138.A N LEU 49.A O no hydrogen 2.972 N/A ASP 139.A N LEU 198.A O no hydrogen 2.977 N/A MET 140.A N THR 51.A O no hydrogen 2.876 N/A HIS 141.A N THR 200.A OG1 no hydrogen 3.008 N/A HIS 141.A ND1 GLU 58.A OE1 no hydrogen 2.881 N/A HIS 141.A NE2 ASP 139.A OD2 no hydrogen 2.627 N/A THR 142.A N GLU 58.A OE1 no hydrogen 3.230 N/A ALA 143.A N GLY 203.A O no hydrogen 2.902 N/A GLY 144.A N THR 142.A OG1 no hydrogen 3.084 N/A HIS 145.A N ASP 57.A OD2 no hydrogen 3.174 N/A HIS 145.A ND1 ASP 57.A OD2 no hydrogen 2.665 N/A SER 146.A N ALA 143.A O no hydrogen 2.901 N/A TYR 147.A OH ALA 319.A O no hydrogen 2.924 N/A ASP 148.A N GLY 308.A O no hydrogen 2.963 N/A SER 149.A N ASP 148.A OD1 no hydrogen 2.951 N/A SER 149.A OG GLY 203.A O no hydrogen 2.735 N/A THR 150.A N TRP 306.A O no hydrogen 2.897 N/A SER 152.A N GLU 201.A O no hydrogen 2.949 N/A SER 152.A OG THR 150.A O no hydrogen 2.747 N/A SER 152.A OG GLU 201.A O no hydrogen 3.170 N/A THR 153.A N HIS 178.A O no hydrogen 2.966 N/A THR 153.A OG1 ASN 179.A OD1 no hydrogen 2.674 N/A ASN 154.A N GLY 199.A O no hydrogen 2.912 N/A MET 155.A N VAL 180.A O no hydrogen 2.990 N/A HIS 156.A ND1 GLU 191.A OE1 no hydrogen 2.565 N/A HIS 156.A ND1 GLU 191.A OE2 no hydrogen 3.029 N/A TYR 157.A OH ASP 329.A OD1 no hydrogen 3.287 N/A ALA 162.A N ASP 160.A OD1 no hydrogen 3.165 N/A LEU 163.A N ASP 160.A OD1 no hydrogen 3.345 N/A ARG 164.A N ASP 160.A O no hydrogen 2.984 N/A ARG 164.A NH1 LEU 158.A O no hydrogen 2.929 N/A ARG 164.A NH2 ASP 329.A OD2 no hydrogen 3.448 N/A ALA 165.A N PRO 161.A O no hydrogen 3.062 N/A ARG 166.A N ALA 162.A O no hydrogen 3.018 N/A THR 167.A N LEU 163.A O no hydrogen 2.761 N/A THR 167.A OG1 LEU 163.A O no hydrogen 2.832 N/A LEU 168.A N ARG 164.A O no hydrogen 2.737 N/A ALA 169.A N ALA 165.A O no hydrogen 2.965 N/A ALA 170.A N ARG 166.A O no hydrogen 3.268 N/A ALA 171.A N THR 167.A O no hydrogen 2.966 N/A GLU 172.A N LEU 168.A O no hydrogen 2.970 N/A ALA 173.A N ALA 169.A O no hydrogen 3.088 N/A PHE 174.A N ALA 170.A O no hydrogen 2.907 N/A GLY 175.A N ALA 171.A O no hydrogen 3.179 N/A ASN 179.A N ARG 246.A O no hydrogen 3.001 N/A ASN 179.A ND2 HIS 247.A ND1 no hydrogen 3.035 N/A VAL 180.A N THR 153.A O no hydrogen 2.866 N/A VAL 181.A N MET 248.A O no hydrogen 3.011 N/A PHE 182.A N MET 155.A O no hydrogen 3.017 N/A THR 185.A OG1 THR 187.A OG1 no hydrogen 3.110 N/A PHE 186.A N ASN 107.A OD1 no hydrogen 2.693 N/A THR 187.A OG1 THR 185.A OG1 no hydrogen 3.110 N/A SER 188.A N THR 185.A OG1 no hydrogen 3.058 N/A SER 188.A OG GLY 183.A O no hydrogen 2.997 N/A SER 188.A OG THR 185.A O no hydrogen 2.793 N/A CYS 189.A N THR 185.A O no hydrogen 3.437 N/A CYS 189.A SG THR 185.A O no hydrogen 3.815 N/A VAL 190.A N PHE 186.A O no hydrogen 3.104 N/A GLU 191.A N THR 187.A O no hydrogen 2.846 N/A ARG 192.A N SER 188.A O no hydrogen 2.844 N/A ARG 193.A N CYS 189.A O no hydrogen 3.065 N/A ARG 193.A NE ASP 127.A OD1 no hydrogen 2.848 N/A ARG 193.A NH2 ASP 127.A OD2 no hydrogen 3.275 N/A GLY 194.A N GLU 191.A O no hydrogen 2.792 N/A ILE 195.A N VAL 190.A O no hydrogen 3.091 N/A LEU 198.A N SER 137.A O no hydrogen 2.870 N/A GLY 199.A N ASN 154.A O no hydrogen 2.869 N/A THR 200.A N ASP 139.A O no hydrogen 3.190 N/A THR 200.A OG1 HIS 141.A O no hydrogen 3.063 N/A GLU 201.A N SER 152.A O no hydrogen 2.881 N/A LEU 202.A N HIS 141.A O no hydrogen 3.135 N/A GLY 203.A N SER 149.A OG no hydrogen 3.102 N/A TRP 205.A N TYR 147.A O no hydrogen 2.954 N/A TRP 205.A NE1 ALA 309.A O no hydrogen 2.929 N/A GLY 206.A N GLY 144.A O no hydrogen 2.976 N/A ARG 207.A N GLY 204.A O no hydrogen 3.120 N/A ARG 207.A NH1 ASP 148.A OD1 no hydrogen 2.871 N/A ARG 207.A NH1 GLY 204.A O no hydrogen 2.836 N/A ARG 207.A NH2 ASP 148.A OD2 no hydrogen 2.957 N/A ASN 209.A N GLU 60.A OE2 no hydrogen 2.655 N/A GLY 212.A N ASN 209.A OD1 no hydrogen 2.866 N/A VAL 213.A N ASN 209.A O no hydrogen 2.899 N/A ARG 214.A N ILE 210.A O no hydrogen 3.164 N/A ARG 214.A NE GLU 211.A OE1 no hydrogen 2.873 N/A ARG 214.A NH2 GLU 211.A OE1 no hydrogen 3.540 N/A ARG 214.A NH2 GLU 211.A OE2 no hydrogen 2.759 N/A ILE 215.A N GLU 211.A O no hydrogen 2.818 N/A GLY 216.A N GLY 212.A O no hydrogen 2.997 N/A LYS 217.A N VAL 213.A O no hydrogen 2.914 N/A ARG 218.A N ARG 214.A O no hydrogen 3.131 N/A ARG 218.A NH1 ALA 237.A O no hydrogen 2.794 N/A ARG 218.A NH2 GLY 175.A O no hydrogen 2.746 N/A ARG 218.A NH2 ALA 237.A O no hydrogen 3.229 N/A GLY 219.A N ILE 215.A O no hydrogen 2.803 N/A ILE 220.A N GLY 216.A O no hydrogen 3.224 N/A LEU 221.A N LYS 217.A O no hydrogen 3.529 N/A ASN 222.A N ARG 218.A O no hydrogen 2.899 N/A ASN 222.A ND2 ALA 173.A O no hydrogen 2.993 N/A ASN 222.A ND2 PHE 174.A O no hydrogen 3.160 N/A ASN 222.A ND2 GLU 235.A O no hydrogen 2.653 N/A VAL 223.A N GLY 219.A O no hydrogen 2.871 N/A LEU 224.A N ILE 220.A O no hydrogen 3.089 N/A LYS 225.A N LEU 221.A O no hydrogen 2.930 N/A HIS 226.A N ASN 222.A O no hydrogen 2.801 N/A MET 227.A N VAL 223.A O no hydrogen 2.980 N/A GLY 228.A N LYS 225.A O no hydrogen 2.966 N/A VAL 229.A N LEU 224.A O no hydrogen 2.858 N/A ILE 230.A N LEU 224.A O no hydrogen 3.441 N/A GLU 235.A N ASN 222.A OD1 no hydrogen 2.893 N/A THR 236.A OG1 ALA 243.A O no hydrogen 2.805 N/A ALA 237.A N GLU 235.A OE2 no hydrogen 2.733 N/A GLN 238.A N ALA 242.A O no hydrogen 2.829 N/A GLN 238.A NE2 GLY 175.A O no hydrogen 3.004 N/A GLN 238.A NE2 THR 236.A O no hydrogen 2.671 N/A ARG 239.A NE GLU 211.A OE2 no hydrogen 2.995 N/A ARG 239.A NH2 GLU 211.A OE1 no hydrogen 2.657 N/A GLY 241.A N GLN 238.A O no hydrogen 2.951 N/A THR 245.A OG1 ALA 176.A O no hydrogen 2.900 N/A ARG 246.A N PRO 177.A O no hydrogen 2.977 N/A ARG 246.A NE ASP 326.A OD1 no hydrogen 2.919 N/A ARG 246.A NH2 ASP 326.A OD1 no hydrogen 2.532 N/A HIS 247.A NE2 GLU 172.A OE2 no hydrogen 2.792 N/A MET 248.A N ASN 179.A O no hydrogen 2.772 N/A MET 249.A N GLU 325.A O no hydrogen 2.837 N/A VAL 250.A N VAL 181.A O no hydrogen 3.031 N/A ALA 255.A N GLU 252.A O no hydrogen 2.857 N/A TYR 256.A N ALA 253.A O no hydrogen 3.171 N/A VAL 257.A N ALA 321.A O no hydrogen 2.800 N/A ALA 259.A N ASP 318.A O no hydrogen 2.806 N/A GLY 263.A N VAL 314.A O no hydrogen 3.082 N/A LEU 264.A N HIS 285.A O no hydrogen 3.056 N/A PHE 265.A N GLY 312.A O no hydrogen 2.910 N/A GLU 266.A N TRP 283.A O no hydrogen 2.841 N/A THR 268.A N ALA 281.A O no hydrogen 2.972 N/A THR 268.A OG1 THR 280.A O no hydrogen 2.689 N/A HIS 269.A ND1 GLU 273.A OE1 no hydrogen 3.056 N/A TYR 270.A N GLU 273.A OE1 no hydrogen 3.198 N/A GLY 272.A N VAL 305.A O no hydrogen 2.708 N/A GLU 273.A N TYR 270.A O no hydrogen 3.203 N/A VAL 275.A N GLY 303.A O no hydrogen 2.814 N/A THR 277.A N ASP 302.A OD1 no hydrogen 2.613 N/A GLY 278.A N TYR 299.A O no hydrogen 2.766 N/A GLU 279.A N ARG 276.A O no hydrogen 3.235 N/A THR 280.A OG1 GLU 296.A OE2 no hydrogen 2.489 N/A ALA 281.A N LEU 297.A O no hydrogen 2.710 N/A TRP 283.A N GLU 266.A O no hydrogen 2.920 N/A ILE 284.A N LEU 295.A O no hydrogen 2.828 N/A HIS 285.A N LEU 264.A O no hydrogen 2.782 N/A HIS 285.A NE2 GLU 266.A OE1 no hydrogen 2.759 N/A GLU 288.A N GLU 288.A OE2 no hydrogen 2.826 N/A ASP 289.A N PHE 286.A O no hydrogen 2.931 N/A THR 292.A N VAL 290.A O no hydrogen 2.758 N/A THR 292.A OG1 ASP 289.A OD2 no hydrogen 2.858 N/A THR 292.A OG1 VAL 290.A O no hydrogen 3.408 N/A LEU 295.A N ILE 284.A O no hydrogen 2.714 N/A LEU 297.A N GLY 282.A O no hydrogen 2.856 N/A TYR 299.A N GLU 279.A O no hydrogen 3.039 N/A ARG 301.A NH2 GLU 325.A OE1 no hydrogen 2.801 N/A GLY 303.A N VAL 275.A O no hydrogen 3.091 N/A ILE 304.A N MET 324.A O no hydrogen 2.969 N/A VAL 305.A N GLU 273.A O no hydrogen 2.966 N/A TRP 306.A N VAL 322.A O no hydrogen 2.890 N/A TRP 306.A NE1 SER 152.A OG no hydrogen 2.943 N/A PHE 307.A N VAL 322.A O no hydrogen 3.403 N/A GLY 308.A N ASP 148.A O no hydrogen 2.947 N/A VAL 314.A N GLY 263.A O no hydrogen 2.750 N/A THR 315.A N ASP 318.A OD2 no hydrogen 2.853 N/A ARG 316.A N THR 262.A OG1 no hydrogen 2.850 N/A GLY 317.A N ALA 259.A O no hydrogen 2.778 N/A ASP 318.A N THR 315.A O no hydrogen 2.944 N/A VAL 320.A N VAL 257.A O no hydrogen 2.689 N/A VAL 322.A N PHE 307.A O no hydrogen 3.069 N/A VAL 323.A N ALA 255.A O no hydrogen 2.811 N/A MET 324.A N ILE 304.A O no hydrogen 2.905 N/A GLU 325.A N MET 249.A O no hydrogen 3.010 N/A TYR 327.A N HIS 247.A O no hydrogen 2.898 N/A