Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xc3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N GLN 52.A OE1 no hydrogen 3.349 N/A LEU 3.A N GLY 18.A O no hydrogen 2.859 N/A GLY 4.A N ALA 53.A O no hydrogen 2.889 N/A GLY 5.A N ALA 16.A O no hydrogen 2.770 N/A ILE 6.A N GLY 55.A O no hydrogen 2.783 N/A GLU 7.A N VAL 14.A O no hydrogen 2.802 N/A ALA 8.A N GLY 57.A O no hydrogen 2.900 N/A GLY 9.A N LYS 12.A O no hydrogen 2.911 N/A LYS 12.A NZ GLU 29.A OE1 no hydrogen 3.500 N/A LYS 12.A NZ GLU 29.A OE2 no hydrogen 2.843 N/A PHE 13.A N PHE 30.A O no hydrogen 2.899 N/A VAL 14.A N GLU 7.A O no hydrogen 3.004 N/A CYS 15.A N ILE 28.A O no hydrogen 2.846 N/A ALA 16.A N GLY 5.A O no hydrogen 2.887 N/A VAL 17.A N ASP 26.A O no hydrogen 3.002 N/A GLY 18.A N LEU 3.A O no hydrogen 2.818 N/A ARG 19.A N THR 23.A O no hydrogen 2.985 N/A GLY 22.A N ARG 19.A O no hydrogen 2.946 N/A THR 23.A N ASP 21.A OD2 no hydrogen 2.971 N/A THR 23.A OG1 ASP 21.A OD1 no hydrogen 3.403 N/A THR 23.A OG1 ASP 21.A OD2 no hydrogen 2.696 N/A ILE 25.A N VAL 17.A O no hydrogen 2.795 N/A ASP 26.A N VAL 17.A O no hydrogen 3.242 N/A ARG 27.A NH1 ASN 275.A OD1 no hydrogen 2.699 N/A ILE 28.A N CYS 15.A O no hydrogen 2.862 N/A PHE 30.A N PHE 13.A O no hydrogen 3.072 N/A THR 32.A N THR 11.A O no hydrogen 2.916 N/A THR 32.A OG1 GLY 9.A O no hydrogen 2.753 N/A LYS 33.A N THR 38.A OG1 no hydrogen 2.922 N/A MET 34.A N GLU 37.A OE2 no hydrogen 3.048 N/A THR 38.A N MET 34.A O no hydrogen 3.058 N/A THR 38.A OG1 MET 34.A O no hydrogen 2.856 N/A ILE 39.A N PRO 35.A O no hydrogen 2.883 N/A GLU 40.A N ASP 36.A O no hydrogen 3.012 N/A LYS 41.A N GLU 37.A O no hydrogen 3.370 N/A VAL 42.A N THR 38.A O no hydrogen 3.253 N/A ILE 43.A N ILE 39.A O no hydrogen 2.974 N/A GLN 44.A N GLU 40.A O no hydrogen 2.862 N/A GLN 44.A NE2 GLU 40.A OE1 no hydrogen 2.732 N/A TYR 45.A N LYS 41.A O no hydrogen 2.998 N/A TYR 45.A OH ASP 26.A OD2 no hydrogen 2.710 N/A PHE 46.A N VAL 42.A O no hydrogen 2.964 N/A SER 47.A N ILE 43.A O no hydrogen 2.935 N/A SER 47.A OG GLN 44.A O no hydrogen 2.733 N/A GLN 48.A N.A TYR 45.A O no hydrogen 3.460 N/A GLN 48.A N.B TYR 45.A O no hydrogen 3.431 N/A GLN 48.A NE2.B GLN 44.A O no hydrogen 3.460 N/A PHE 49.A N PHE 46.A O no hydrogen 3.047 N/A GLN 52.A N MET 2.A O no hydrogen 2.771 N/A ILE 54.A N PRO 98.A O no hydrogen 2.943 N/A GLY 55.A N GLY 4.A O no hydrogen 2.875 N/A ILE 56.A N GLY 100.A O no hydrogen 2.836 N/A GLY 57.A N ILE 6.A O no hydrogen 2.841 N/A SER 58.A N SER 102.A O no hydrogen 2.949 N/A SER 58.A OG PHE 59.A O no hydrogen 2.805 N/A PHE 59.A N ALA 8.A O no hydrogen 2.926 N/A VAL 62.A N HIS 149.A NE2 no hydrogen 3.057 N/A ASP 63.A N THR 73.A O no hydrogen 2.855 N/A ASN 64.A ND2 GLN 145.A OE1 no hydrogen 2.919 N/A ASP 65.A N ASP 63.A OD1 no hydrogen 3.074 N/A THR 67.A N ASP 65.A OD1 no hydrogen 2.969 N/A THR 67.A OG1 ASP 65.A OD1 no hydrogen 2.850 N/A THR 67.A OG1 ASP 65.A OD2 no hydrogen 3.515 N/A SER 68.A N ASP 65.A O no hydrogen 2.865 N/A SER 68.A OG ASP 63.A OD2 no hydrogen 2.590 N/A SER 68.A OG THR 70.A OG1 no hydrogen 3.351 N/A THR 70.A N SER 68.A OG no hydrogen 3.260 N/A THR 70.A OG1 ASP 63.A OD2 no hydrogen 2.585 N/A THR 70.A OG1 SER 68.A OG no hydrogen 3.351 N/A TYR 71.A N SER 68.A O no hydrogen 3.218 N/A GLY 72.A N ASP 63.A O no hydrogen 2.937 N/A THR 73.A OG1 THR 70.A O no hydrogen 2.812 N/A THR 75.A N PRO 61.A O no hydrogen 2.828 N/A LYS 79.A N THR 77.A OG1 no hydrogen 2.992 N/A LYS 79.A NZ GLY 10.A O no hydrogen 2.692 N/A TRP 82.A N LYS 79.A O no hydrogen 3.287 N/A TRP 82.A NE1 LYS 33.A O no hydrogen 2.791 N/A ARG 83.A NH2 HIS 84.A NE2.B no hydrogen 3.412 N/A HIS 84.A N.A ILE 74.A O no hydrogen 2.781 N/A HIS 84.A N.B ILE 74.A O no hydrogen 2.763 N/A TYR 85.A N TRP 82.A O no hydrogen 3.131 N/A PHE 87.A N TYR 85.A O no hydrogen 2.730 N/A LEU 88.A N GLY 72.A O no hydrogen 2.986 N/A GLN 89.A NE2 ASN 93.A OD1 no hydrogen 2.670 N/A THR 90.A N PRO 86.A O no hydrogen 2.910 N/A THR 90.A OG1 PRO 86.A O no hydrogen 2.658 N/A VAL 91.A N PHE 87.A O no hydrogen 3.192 N/A LYS 92.A N LEU 88.A O no hydrogen 2.933 N/A ASN 93.A N GLN 89.A O no hydrogen 2.863 N/A GLU 94.A N THR 90.A O no hydrogen 3.056 N/A MET 95.A N VAL 91.A O no hydrogen 2.963 N/A LYS 96.A N LYS 92.A O no hydrogen 2.790 N/A LYS 96.A NZ ASN 93.A O no hydrogen 2.936 N/A GLY 100.A N ILE 54.A O no hydrogen 2.774 N/A SER 102.A N ILE 56.A O no hydrogen 2.897 N/A ASP 104.A N SER 58.A O no hydrogen 2.823 N/A VAL 105.A N ASP 104.A OD1 no hydrogen 2.705 N/A ASN 106.A N THR 103.A OG1 no hydrogen 3.077 N/A ASN 106.A ND2 SER 102.A OG no hydrogen 3.020 N/A ALA 107.A N THR 103.A O no hydrogen 3.123 N/A ALA 108.A N ASP 104.A O no hydrogen 3.173 N/A ALA 109.A N VAL 105.A O no hydrogen 2.941 N/A LEU 110.A N ASN 106.A O no hydrogen 2.992 N/A GLY 111.A N ALA 107.A O no hydrogen 2.922 N/A GLU 112.A N ALA 108.A O no hydrogen 2.985 N/A PHE 113.A N ALA 109.A O no hydrogen 2.778 N/A LEU 114.A N LEU 110.A O no hydrogen 2.889 N/A PHE 115.A N GLY 111.A O no hydrogen 2.870 N/A GLY 116.A N GLU 112.A O no hydrogen 2.847 N/A GLU 117.A N GLU 112.A OE1 no hydrogen 2.789 N/A ALA 118.A N GLU 112.A O no hydrogen 3.103 N/A LYS 119.A N GLY 116.A O no hydrogen 3.177 N/A LEU 121.A N ALA 118.A O no hydrogen 2.916 N/A CYS 124.A N ILE 138.A O no hydrogen 3.217 N/A LEU 125.A N LYS 225.A O no hydrogen 2.882 N/A TYR 126.A N GLY 136.A O no hydrogen 2.837 N/A ILE 127.A N ILE 227.A O no hydrogen 2.791 N/A THR 128.A N GLY 134.A O no hydrogen 2.891 N/A ILE 129.A N GLY 229.A O no hydrogen 2.770 N/A GLY 130.A N GLY 132.A O no hydrogen 3.018 N/A ILE 133.A N GLU 177.A OE1 no hydrogen 2.765 N/A GLY 134.A N THR 128.A O no hydrogen 3.324 N/A GLY 136.A N TYR 126.A O no hydrogen 2.883 N/A ILE 138.A N CYS 124.A O no hydrogen 2.872 N/A VAL 139.A N ARG 142.A O.A no hydrogen 2.751 N/A VAL 139.A N ARG 142.A O.B no hydrogen 2.788 N/A GLY 141.A N ASP 122.A O no hydrogen 2.820 N/A ARG 142.A N.A VAL 139.A O no hydrogen 3.004 N/A ARG 142.A N.B VAL 139.A O no hydrogen 3.013 N/A LEU 144.A N ALA 137.A O no hydrogen 2.821 N/A GLY 146.A N SER 148.A O no hydrogen 3.245 N/A SER 148.A OG HIS 149.A O no hydrogen 2.703 N/A HIS 149.A ND1 PRO 150.A O no hydrogen 2.874 N/A HIS 154.A N GLU 151.A O no hydrogen 3.189 N/A HIS 154.A ND1 HIS 172.A ND1 no hydrogen 3.153 N/A TYR 156.A OH HIS 172.A O no hydrogen 2.991 N/A ARG 159.A NH1 TYR 165.A O no hydrogen 3.026 N/A ARG 159.A NH1 ASP 174.A OD2 no hydrogen 3.158 N/A ARG 159.A NH2 ASP 163.A O no hydrogen 2.936 N/A ARG 159.A NH2 TYR 165.A O no hydrogen 2.620 N/A HIS 160.A N TYR 209.A OH no hydrogen 2.976 N/A ASP 162.A N HIS 160.A ND1 no hydrogen 3.115 N/A ASP 163.A N HIS 160.A O no hydrogen 2.890 N/A TYR 165.A N ASP 163.A OD1 no hydrogen 3.027 N/A GLN 166.A N GLN 166.A OE1 no hydrogen 2.747 N/A LYS 168.A N GLY 178.A O no hydrogen 2.919 N/A CYS 169.A N GLY 173.A O no hydrogen 3.205 N/A CYS 169.A SG HIS 154.A ND1 no hydrogen 3.444 N/A CYS 169.A SG HIS 172.A ND1 no hydrogen 3.487 N/A GLY 173.A N CYS 169.A O no hydrogen 2.779 N/A CYS 175.A SG HIS 154.A ND1 no hydrogen 3.629 N/A CYS 175.A SG HIS 172.A ND1 no hydrogen 3.667 N/A PHE 176.A N ILE 155.A O no hydrogen 2.805 N/A GLU 177.A N GLY 153.A O no hydrogen 2.776 N/A LEU 179.A N CYS 175.A O no hydrogen 2.934 N/A LEU 179.A N PHE 176.A O no hydrogen 3.195 N/A SER 181.A N GLU 177.A O no hydrogen 3.095 N/A SER 181.A OG GLU 177.A O no hydrogen 3.234 N/A GLY 182.A N GLY 130.A O no hydrogen 2.664 N/A ALA 184.A N SER 181.A OG no hydrogen 2.992 N/A ILE 185.A N SER 181.A O no hydrogen 2.948 N/A GLU 186.A N GLY 182.A O no hydrogen 3.007 N/A ALA 187.A N PRO 183.A O no hydrogen 3.082 N/A ARG 188.A N ALA 184.A O no hydrogen 3.038 N/A ARG 188.A NE ASP 163.A OD1 no hydrogen 3.141 N/A ARG 188.A NE ASP 163.A OD2 no hydrogen 3.331 N/A ARG 188.A NH1 LEU 179.A O no hydrogen 2.988 N/A ARG 188.A NH2 ASP 163.A OD2 no hydrogen 2.915 N/A ARG 188.A NH2 LEU 179.A O no hydrogen 2.906 N/A TRP 189.A N ILE 185.A O no hydrogen 2.988 N/A GLY 190.A N GLU 186.A O no hydrogen 2.766 N/A ALA 194.A N LYS 192.A O no hydrogen 2.613 N/A ASP 195.A N LYS 192.A O no hydrogen 3.124 N/A SER 197.A N ALA 194.A O no hydrogen 3.427 N/A ASP 198.A N ASP 198.A OD1 no hydrogen 2.530 N/A ILE 199.A N LEU 196.A O no hydrogen 2.927 N/A VAL 202.A N ILE 199.A O no hydrogen 3.332 N/A TRP 203.A NE1 LEU 196.A O no hydrogen 2.869 N/A GLU 204.A N ALA 200.A O no hydrogen 3.056 N/A LEU 205.A N GLN 201.A O no hydrogen 3.112 N/A GLU 206.A N VAL 202.A O no hydrogen 3.042 N/A GLY 207.A N TRP 203.A O no hydrogen 2.891 N/A TYR 208.A N GLU 204.A O no hydrogen 2.966 N/A TYR 209.A N LEU 205.A O no hydrogen 3.003 N/A TYR 209.A OH ASP 163.A OD2 no hydrogen 2.618 N/A ILE 210.A N GLU 206.A O no hydrogen 2.911 N/A ALA 211.A N GLY 207.A O no hydrogen 2.918 N/A GLN 212.A N TYR 208.A O no hydrogen 3.059 N/A ALA 213.A N TYR 209.A O no hydrogen 3.190 N/A LEU 214.A N ILE 210.A O no hydrogen 2.869 N/A ALA 215.A N ALA 211.A O no hydrogen 3.010 N/A GLN 216.A N GLN 212.A O no hydrogen 3.411 N/A TYR 217.A N ALA 213.A O no hydrogen 3.062 N/A TYR 217.A OH MET 152.A O no hydrogen 2.733 N/A ILE 218.A N LEU 214.A O no hydrogen 2.797 N/A LEU 219.A N ALA 215.A O no hydrogen 2.975 N/A ILE 220.A N GLN 216.A O no hydrogen 3.031 N/A LEU 221.A N TYR 217.A O no hydrogen 2.778 N/A ALA 222.A N TYR 217.A O no hydrogen 3.128 N/A LYS 224.A N SER 123.A OG no hydrogen 2.927 N/A LYS 224.A NZ ASP 122.A OD1 no hydrogen 2.745 N/A LYS 225.A NZ ASP 265.A O no hydrogen 2.730 N/A ILE 226.A N TYR 266.A O no hydrogen 2.888 N/A ILE 227.A N LEU 125.A O no hydrogen 2.768 N/A LEU 228.A N VAL 268.A O no hydrogen 2.843 N/A GLY 229.A N ILE 127.A O no hydrogen 2.797 N/A VAL 232.A N ILE 129.A O no hydrogen 2.950 N/A MET 233.A N GLY 230.A O no hydrogen 3.082 N/A GLN 234.A N GLY 231.A O no hydrogen 3.129 N/A GLN 235.A N VAL 232.A O no hydrogen 3.102 N/A GLN 235.A NE2 SER 197.A OG no hydrogen 3.228 N/A GLN 235.A NE2 GLN 237.A OE1 no hydrogen 3.270 N/A VAL 238.A N GLN 235.A O no hydrogen 2.953 N/A PHE 239.A N LYS 236.A O no hydrogen 3.377 N/A SER 240.A N GLN 237.A O no hydrogen 3.225 N/A SER 240.A OG GLN 237.A O no hydrogen 2.792 N/A ILE 242.A N VAL 238.A O no hydrogen 3.014 N/A TYR 243.A N PHE 239.A O no hydrogen 2.826 N/A TYR 243.A OH ILE 267.A O no hydrogen 2.637 N/A GLN 244.A N SER 240.A O no hydrogen 3.108 N/A TYR 245.A N TYR 241.A O no hydrogen 2.875 N/A VAL 246.A N ILE 242.A O no hydrogen 2.995 N/A ILE 249.A N TYR 245.A O no hydrogen 2.986 N/A MET 250.A N VAL 246.A O no hydrogen 3.094 N/A ASN 251.A N PRO 247.A O no hydrogen 2.845 N/A TYR 253.A N MET 250.A O no hydrogen 3.143 N/A GLU 258.A N GLU 258.A OE2 no hydrogen 2.776 N/A LEU 259.A N PHE 256.A O no hydrogen 2.980 N/A SER 260.A N SER 257.A O no hydrogen 3.152 N/A SER 260.A OG PHE 256.A O no hydrogen 3.245 N/A ASP 262.A N SER 257.A O no hydrogen 2.792 N/A ILE 263.A N SER 260.A O no hydrogen 3.392 N/A ASP 265.A N ASP 262.A O no hydrogen 3.056 N/A TYR 266.A N ILE 263.A O no hydrogen 2.955 N/A TYR 266.A OH PRO 223.A O no hydrogen 2.668 N/A ILE 267.A N ILE 263.A O no hydrogen 3.045 N/A VAL 268.A N ILE 226.A O no hydrogen 2.886 N/A ARG 271.A N GLU 112.A OE1 no hydrogen 2.856 N/A LEU 272.A N GLU 112.A OE2 no hydrogen 2.854 N/A GLY 273.A N PRO 270.A O no hydrogen 3.198 N/A ASN 275.A N LEU 272.A O no hydrogen 3.139 N/A ILE 279.A N ASN 275.A O no hydrogen 3.058 N/A GLY 280.A N ALA 276.A O no hydrogen 2.883 N/A THR 281.A N GLY 277.A O no hydrogen 3.053 N/A THR 281.A N ILE 278.A O no hydrogen 3.220 N/A THR 281.A OG1 ILE 278.A O no hydrogen 2.618 N/A LEU 282.A N ILE 279.A O no hydrogen 3.059 N/A VAL 283.A N ILE 279.A O no hydrogen 3.318 N/A LEU 284.A N GLY 280.A O no hydrogen 2.957 N/A ALA 285.A N THR 281.A O no hydrogen 2.938 N/A HIS 286.A N LEU 282.A O no hydrogen 2.980 N/A GLN 287.A N VAL 283.A O no hydrogen 2.874 N/A ALA 288.A N LEU 284.A O no hydrogen 3.026 N/A LEU 289.A N ALA 285.A O no hydrogen 2.929 N/A GLN 290.A N HIS 286.A O no hydrogen 2.914 N/A ALA 291.A N GLN 287.A O no hydrogen 2.861 N/A GLU 292.A N ALA 288.A O no hydrogen 3.104 N/A ALA 293.A N LEU 289.A O no hydrogen 3.032 N/A SER 295.A N GLU 292.A O no hydrogen 3.198 N/A SER 295.A OG GLU 292.A O no hydrogen 3.327 N/A