Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3soc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N LEU 13.A O no hydrogen 2.934 N/A PHE 8.A N MET 11.A O no hydrogen 2.986 N/A MET 11.A N PHE 8.A O no hydrogen 3.026 N/A LEU 13.A N LEU 6.A O no hydrogen 2.722 N/A GLN 14.A N GLN 31.A O no hydrogen 2.910 N/A GLN 14.A NE2 GLY 2.A O no hydrogen 3.060 N/A GLN 14.A NE2 GLU 4.A O no hydrogen 3.052 N/A LEU 16.A N LYS 29.A O no hydrogen 2.873 N/A GLU 17.A N LYS 29.A O no hydrogen 3.329 N/A LYS 19.A N VAL 27.A O no hydrogen 2.705 N/A ARG 21.A N GLY 25.A O no hydrogen 3.485 N/A ARG 21.A NH2 ILE 41.A O no hydrogen 3.147 N/A GLY 25.A N GLY 22.A O no hydrogen 3.021 N/A CYS 26.A N ILE 41.A O no hydrogen 3.073 N/A VAL 27.A N LYS 19.A O no hydrogen 2.817 N/A TRP 28.A N VAL 39.A O no hydrogen 2.909 N/A LYS 29.A N GLU 17.A O no hydrogen 2.883 N/A LYS 29.A NZ GLU 92.A OE1 no hydrogen 3.514 N/A ALA 30.A N VAL 37.A O no hydrogen 2.801 N/A GLN 31.A N GLN 14.A O no hydrogen 2.811 N/A GLN 31.A NE2 LEU 33.A O no hydrogen 3.053 N/A LEU 32.A N GLU 35.A O no hydrogen 2.844 N/A LEU 33.A N PRO 12.A O no hydrogen 3.040 N/A GLU 35.A N LEU 32.A O no hydrogen 3.029 N/A VAL 37.A N ALA 30.A O no hydrogen 2.894 N/A ALA 38.A N THR 88.A O no hydrogen 2.851 N/A VAL 39.A N TRP 28.A O no hydrogen 2.828 N/A LYS 40.A N LEU 86.A O no hydrogen 2.718 N/A LYS 40.A NZ GLU 53.A OE1 no hydrogen 2.662 N/A LYS 40.A NZ GLU 53.A OE2 no hydrogen 3.053 N/A ILE 41.A N CYS 26.A O no hydrogen 2.797 N/A PHE 42.A N LEU 84.A O no hydrogen 2.933 N/A GLN 45.A N GLN 45.A OE1 no hydrogen 2.807 N/A ASP 46.A N PRO 43.A O no hydrogen 2.734 N/A LYS 47.A N ILE 44.A O no hydrogen 3.125 N/A SER 49.A OG ASP 46.A OD1 no hydrogen 2.646 N/A SER 49.A OG ASP 46.A OD2 no hydrogen 3.339 N/A TRP 50.A N ASP 46.A O no hydrogen 3.193 N/A TRP 50.A NE1 TRP 85.A O no hydrogen 2.885 N/A GLN 51.A N LYS 47.A O no hydrogen 2.808 N/A GLN 51.A NE2.B GLU 55.A OE2 no hydrogen 3.119 N/A ASN 52.A N GLN 48.A O no hydrogen 2.965 N/A ASN 52.A ND2 PHE 162.A O no hydrogen 2.908 N/A ASN 52.A ND2 ALA 165.A O no hydrogen 2.788 N/A GLU 53.A N SER 49.A O no hydrogen 3.030 N/A TYR 54.A N TRP 50.A O no hydrogen 3.062 N/A GLU 55.A N GLN 51.A O no hydrogen 2.899 N/A VAL 56.A N ASN 52.A O no hydrogen 2.938 N/A TYR 57.A N GLU 53.A O no hydrogen 2.898 N/A TYR 57.A OH LEU 68.A O no hydrogen 2.701 N/A SER 58.A N GLU 55.A O no hydrogen 2.990 N/A SER 58.A OG TYR 54.A O no hydrogen 2.782 N/A LEU 59.A N VAL 56.A O no hydrogen 2.990 N/A GLY 61.A N ASP 133.A OD2.A no hydrogen 3.124 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 2.895 N/A ASN 66.A ND2 ALA 157.A O no hydrogen 3.082 N/A ILE 67.A N HIS 64.A O no hydrogen 2.974 N/A LEU 68.A N ILE 159.A O no hydrogen 2.851 N/A ILE 71.A N ILE 87.A O no hydrogen 2.830 N/A GLY 72.A N ILE 87.A O no hydrogen 3.197 N/A GLU 74.A N TRP 85.A O no hydrogen 2.964 N/A ARG 76.A N ASP 83.A O no hydrogen 2.798 N/A ARG 76.A NH1 TYR 7.A O no hydrogen 2.699 N/A ARG 76.A NH1 GLU 74.A OE2 no hydrogen 2.529 N/A ARG 76.A NH2 TYR 7.A O no hydrogen 3.122 N/A THR 78.A N ASP 81.A O no hydrogen 3.263 N/A VAL 80.A N THR 78.A OG1 no hydrogen 3.186 N/A ASP 81.A N THR 78.A OG1 no hydrogen 2.685 N/A ASP 83.A N ARG 76.A O no hydrogen 3.003 N/A LEU 84.A N PHE 42.A O no hydrogen 3.434 N/A TRP 85.A N GLU 74.A O no hydrogen 2.830 N/A LEU 86.A N LYS 40.A O no hydrogen 2.888 N/A ILE 87.A N GLY 72.A O no hydrogen 2.752 N/A THR 88.A N ALA 38.A O no hydrogen 2.933 N/A THR 88.A OG1 ALA 89.A O no hydrogen 2.957 N/A ALA 89.A N GLN 69.A O no hydrogen 2.975 N/A LYS 93.A NZ ASN 153.A O no hydrogen 2.682 N/A LYS 93.A NZ ASN 153.A OD1.B no hydrogen 3.482 N/A GLY 94.A N HIS 91.A O no hydrogen 2.853 N/A SER 95.A OG ASP 98.A OD2 no hydrogen 3.079 N/A LEU 96.A N VAL 149.A O no hydrogen 2.707 N/A SER 97.A N SER 146.A O no hydrogen 3.135 N/A SER 97.A OG TYR 232.A OH no hydrogen 3.248 N/A ASP 98.A N SER 95.A OG no hydrogen 3.046 N/A PHE 99.A N SER 95.A O no hydrogen 2.971 N/A LEU 100.A N LEU 96.A O no hydrogen 2.887 N/A LYS 101.A N SER 97.A O no hydrogen 3.036 N/A ALA 102.A N ASP 98.A O no hydrogen 3.293 N/A ALA 102.A N PHE 99.A O no hydrogen 3.103 N/A ASN 103.A ND2 PHE 99.A O no hydrogen 2.796 N/A VAL 105.A N ARG 221.A O no hydrogen 2.914 N/A SER 106.A N GLU 109.A OE1 no hydrogen 2.864 N/A GLU 109.A N SER 106.A OG no hydrogen 2.886 N/A LEU 110.A N SER 106.A O no hydrogen 2.879 N/A CYS 111.A N TRP 107.A O no hydrogen 2.982 N/A CYS 111.A SG TRP 107.A O no hydrogen 3.524 N/A HIS 112.A N ASN 108.A O no hydrogen 3.089 N/A HIS 112.A NE2 THR 156.A OG1 no hydrogen 2.791 N/A ILE 113.A N GLU 109.A O no hydrogen 3.071 N/A ALA 114.A N LEU 110.A O no hydrogen 2.865 N/A GLU 115.A N CYS 111.A O no hydrogen 2.827 N/A THR 116.A N HIS 112.A O no hydrogen 3.051 N/A THR 116.A OG1 HIS 112.A O no hydrogen 2.727 N/A THR 116.A OG1 ILE 113.A O no hydrogen 3.214 N/A MET 117.A N ILE 113.A O no hydrogen 2.939 N/A ALA 118.A N ALA 114.A O no hydrogen 2.912 N/A ARG 119.A N GLU 115.A O no hydrogen 2.994 N/A ARG 119.A NH1 ASN 66.A OD1 no hydrogen 3.283 N/A GLY 120.A N THR 116.A O no hydrogen 3.151 N/A LEU 121.A N MET 117.A O no hydrogen 3.104 N/A ALA 122.A N ALA 118.A O no hydrogen 2.728 N/A TYR 123.A N ARG 119.A O no hydrogen 2.867 N/A TYR 123.A OH GLY 61.A O no hydrogen 2.534 N/A LEU 124.A N GLY 120.A O no hydrogen 2.884 N/A HIS 125.A N LEU 121.A O no hydrogen 2.939 N/A HIS 125.A NE2 ASP 207.A OD2 no hydrogen 2.867 N/A GLU 126.A N TYR 123.A O no hydrogen 2.991 N/A ILE 128.A N LYS 136.A O no hydrogen 2.804 N/A LEU 131.A N GLY 134.A O no hydrogen 3.039 N/A GLY 134.A N LEU 131.A O no hydrogen 3.037 N/A HIS 135.A NE2 ASP 127.A OD1 no hydrogen 2.575 N/A LYS 136.A N ILE 128.A O no hydrogen 2.974 N/A LYS 136.A NZ TYR 123.A O no hydrogen 2.987 N/A LYS 136.A NZ LEU 124.A O no hydrogen 2.714 N/A LYS 136.A NZ GLU 126.A O no hydrogen 2.731 N/A LYS 136.A NZ PRO 137.A O no hydrogen 2.834 N/A ILE 139.A N LEU 124.A O no hydrogen 2.911 N/A SER 140.A N LEU 166.A O no hydrogen 2.941 N/A SER 140.A OG.A LEU 166.A O no hydrogen 3.359 N/A SER 140.A OG.B ASP 207.A OD1 no hydrogen 3.450 N/A SER 140.A OG.B ASP 207.A OD2 no hydrogen 3.078 N/A HIS 141.A N ASP 207.A OD2 no hydrogen 2.806 N/A HIS 141.A NE2 ALA 160.A O no hydrogen 2.747 N/A ARG 142.A N ASP 207.A OD1 no hydrogen 2.928 N/A ARG 142.A NH1 LEU 164.A O no hydrogen 3.309 N/A ARG 142.A NH1 GLN 180.A O no hydrogen 3.449 N/A ARG 142.A NH2 GLN 180.A O no hydrogen 3.090 N/A ASP 143.A N HIS 141.A ND1 no hydrogen 2.993 N/A LYS 145.A NZ THR 183.A OG1 no hydrogen 2.877 N/A SER 146.A OG TYR 186.A OH no hydrogen 3.404 N/A SER 146.A OG GLU 217.A OE1 no hydrogen 2.664 N/A SER 146.A OG GLU 217.A OE2 no hydrogen 3.525 N/A LYS 147.A NZ ASP 98.A OD2 no hydrogen 3.179 N/A ASN 148.A N LYS 145.A O no hydrogen 2.945 N/A ASN 148.A ND2 ASP 143.A O no hydrogen 2.757 N/A ASN 148.A ND2 ASP 143.A OD2 no hydrogen 3.540 N/A VAL 149.A N SER 146.A O no hydrogen 3.419 N/A LEU 150.A N CYS 158.A O no hydrogen 2.894 N/A LEU 151.A N GLY 94.A O no hydrogen 2.904 N/A LYS 152.A N THR 156.A O no hydrogen 2.877 N/A LYS 152.A NZ GLU 65.A O no hydrogen 2.726 N/A LEU 155.A N LYS 152.A O no hydrogen 2.883 N/A THR 156.A N ASN 154.A OD1 no hydrogen 3.148 N/A THR 156.A OG1 HIS 112.A NE2 no hydrogen 2.791 N/A THR 156.A OG1 ASN 154.A OD1 no hydrogen 2.866 N/A ALA 157.A N THR 116.A OG1 no hydrogen 2.918 N/A CYS 158.A N LEU 150.A O no hydrogen 2.829 N/A CYS 158.A SG HIS 91.A NE2 no hydrogen 3.918 N/A CYS 158.A SG LEU 150.A O no hydrogen 3.812 N/A ILE 159.A N ASN 66.A O no hydrogen 2.880 N/A ALA 160.A N ASN 148.A O no hydrogen 2.901 N/A PHE 162.A N GLU 53.A OE2 no hydrogen 2.836 N/A GLY 163.A N ASP 161.A OD1 no hydrogen 3.030 N/A ALA 165.A N PHE 162.A O no hydrogen 3.168 N/A LEU 166.A N SER 140.A O no hydrogen 2.904 N/A PHE 168.A N ALA 138.A O no hydrogen 2.910 N/A LYS 172.A N GLU 169.A O no hydrogen 2.863 N/A ALA 174.A N GLN 199.A OE1 no hydrogen 2.822 N/A GLN 180.A N THR 177.A O no hydrogen 3.026 N/A GLN 180.A NE2 SER 49.A OG no hydrogen 2.920 N/A THR 183.A N ASP 143.A OD1 no hydrogen 2.936 N/A THR 183.A OG1 ASP 143.A OD1 no hydrogen 2.685 N/A THR 183.A OG1 ASP 143.A OD2 no hydrogen 3.553 N/A ARG 184.A NH1 PRO 244.A O no hydrogen 2.868 N/A ARG 185.A NH1 PRO 235.A O no hydrogen 2.820 N/A ARG 185.A NH1 GLY 241.A O no hydrogen 3.216 N/A ARG 185.A NH2 GLY 241.A O no hydrogen 2.961 N/A TYR 186.A N THR 183.A O no hydrogen 2.926 N/A TYR 186.A OH GLU 217.A OE2 no hydrogen 2.671 N/A MET 187.A N ARG 184.A O no hydrogen 2.993 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.787 N/A VAL 191.A N ALA 188.A O no hydrogen 2.884 N/A LEU 192.A N ALA 188.A O no hydrogen 2.992 N/A GLU 193.A N PRO 189.A O no hydrogen 2.762 N/A GLY 194.A N VAL 191.A O no hydrogen 2.969 N/A ALA 195.A N GLU 190.A O no hydrogen 3.090 N/A GLN 199.A NE2 ASN 197.A O no hydrogen 3.442 N/A GLN 199.A NE2 ASN 197.A OD1 no hydrogen 3.404 N/A PHE 203.A N GLN 199.A O no hydrogen 3.064 N/A LEU 204.A N ARG 200.A O no hydrogen 3.032 N/A ARG 205.A N ASP 201.A O no hydrogen 2.991 N/A ILE 206.A N ALA 202.A O no hydrogen 3.035 N/A ASP 207.A N PHE 203.A O no hydrogen 3.101 N/A MET 208.A N LEU 204.A O no hydrogen 3.035 N/A TYR 209.A N ARG 205.A O no hydrogen 3.135 N/A ALA 210.A N ILE 206.A O no hydrogen 3.290 N/A MET 211.A N ASP 207.A O no hydrogen 2.800 N/A GLY 212.A N MET 208.A O no hydrogen 2.865 N/A LEU 213.A N TYR 209.A O no hydrogen 3.190 N/A VAL 214.A N ALA 210.A O no hydrogen 3.061 N/A LEU 215.A N MET 211.A O no hydrogen 2.868 N/A TRP 216.A N GLY 212.A O no hydrogen 2.937 N/A TRP 216.A NE1 VAL 261.A O no hydrogen 2.964 N/A GLU 217.A N LEU 213.A O no hydrogen 2.981 N/A LEU 218.A N VAL 214.A O no hydrogen 3.109 N/A ALA 219.A N LEU 215.A O no hydrogen 2.923 N/A SER 220.A N TRP 216.A O no hydrogen 2.814 N/A SER 220.A OG GLU 217.A O no hydrogen 2.724 N/A ARG 221.A N LEU 218.A O no hydrogen 2.958 N/A ARG 221.A NE LEU 100.A O no hydrogen 2.854 N/A ARG 221.A NH1 ASP 230.A O no hydrogen 2.826 N/A ARG 221.A NH2 LEU 100.A O no hydrogen 3.079 N/A CYS 222.A N ALA 219.A O no hydrogen 3.192 N/A CYS 222.A SG VAL 105.A O no hydrogen 3.527 N/A THR 223.A N VAL 105.A O no hydrogen 2.956 N/A THR 223.A OG1 VAL 105.A O no hydrogen 3.522 N/A ALA 225.A N CYS 222.A O no hydrogen 3.348 N/A ASP 226.A N TYR 265.A O no hydrogen 3.042 N/A TYR 232.A OH SER 97.A OG no hydrogen 3.248 N/A TYR 232.A OH GLU 217.A OE1 no hydrogen 2.545 N/A LEU 234.A N GLU 237.A OE1 no hydrogen 2.949 N/A GLU 237.A N LEU 234.A O no hydrogen 2.925 N/A GLU 239.A N PHE 236.A O no hydrogen 3.134 N/A ILE 240.A N PHE 236.A O no hydrogen 2.803 N/A GLY 241.A N GLU 237.A O no hydrogen 2.794 N/A GLN 242.A NE2 GLU 237.A OE2 no hydrogen 3.148 N/A SER 245.A N ASP 248.A OD2 no hydrogen 3.026 N/A ASP 248.A N SER 245.A OG no hydrogen 2.859 N/A MET 249.A N SER 245.A O no hydrogen 3.219 N/A GLN 250.A N LEU 246.A O no hydrogen 2.795 N/A GLN 250.A NE2 LEU 192.A O no hydrogen 2.678 N/A GLU 251.A N GLU 247.A O no hydrogen 3.033 N/A VAL 252.A N ASP 248.A O no hydrogen 3.119 N/A VAL 253.A N MET 249.A O no hydrogen 2.884 N/A VAL 254.A N GLN 250.A O no hydrogen 2.887 N/A HIS 255.A N GLN 250.A O no hydrogen 3.041 N/A LYS 256.A N GLU 251.A O no hydrogen 2.815 N/A LYS 256.A NZ GLU 251.A OE2 no hydrogen 2.829 N/A LYS 258.A N VAL 252.A O no hydrogen 3.048 N/A ARG 259.A NE TRP 283.A O no hydrogen 2.884 N/A ARG 259.A NH1 LYS 258.A O no hydrogen 2.944 N/A ARG 259.A NH2 TRP 283.A O no hydrogen 3.028 N/A ARG 263.A NH1 ASP 230.A OD2 no hydrogen 3.543 N/A ARG 263.A NH1 TYR 265.A OH no hydrogen 3.145 N/A ARG 263.A NH2 ASP 230.A OD2 no hydrogen 3.332 N/A TYR 265.A OH PRO 228.A O no hydrogen 2.786 N/A TRP 266.A N ARG 263.A O no hydrogen 3.047 N/A GLN 267.A N ASP 264.A O no hydrogen 2.806 N/A MET 272.A N HIS 269.A ND1 no hydrogen 3.185 N/A ALA 273.A N HIS 269.A O no hydrogen 2.998 N/A MET 274.A N ALA 270.A O no hydrogen 3.265 N/A LEU 275.A N GLY 271.A O no hydrogen 2.863 N/A CYS 276.A N MET 272.A O no hydrogen 2.766 N/A CYS 276.A SG MET 272.A O no hydrogen 3.301 N/A GLU 277.A N ALA 273.A O no hydrogen 3.023 N/A THR 278.A N MET 274.A O no hydrogen 3.012 N/A THR 278.A OG1 MET 274.A O no hydrogen 2.909 N/A ILE 279.A N LEU 275.A O no hydrogen 2.840 N/A GLU 280.A N CYS 276.A O no hydrogen 2.961 N/A GLU 281.A N GLU 277.A O no hydrogen 3.047 N/A CYS 282.A N THR 278.A O no hydrogen 2.932 N/A CYS 282.A SG THR 278.A O no hydrogen 3.413 N/A TRP 283.A N ILE 279.A O no hydrogen 2.998 N/A ASP 286.A N ASP 284.A OD1 no hydrogen 2.746 N/A GLU 288.A N ASP 286.A OD1 no hydrogen 3.034 N/A ALA 289.A N ASP 286.A O no hydrogen 3.040 N/A ARG 290.A N ALA 287.A O no hydrogen 3.043 N/A ARG 290.A NE ASP 284.A O no hydrogen 2.944 N/A ARG 290.A NH1 GLU 190.A OE2 no hydrogen 2.715 N/A ARG 290.A NH1 ARG 205.A O no hydrogen 3.014 N/A ARG 290.A NH2 GLU 190.A OE1 no hydrogen 2.922 N/A ARG 290.A NH2 GLU 190.A OE2 no hydrogen 3.465 N/A ARG 290.A NH2 ASP 284.A O no hydrogen 3.119 N/A CYS 295.A N SER 292.A OG no hydrogen 2.970 N/A VAL 296.A N SER 292.A O no hydrogen 2.886 N/A GLY 297.A N ALA 293.A O no hydrogen 2.949 N/A GLU 298.A N GLY 294.A O no hydrogen 3.100 N/A ARG 299.A N CYS 295.A O no hydrogen 3.030 N/A ARG 299.A NH1 GLU 281.A OE2 no hydrogen 2.614 N/A ARG 299.A NH2 GLU 281.A OE2 no hydrogen 3.102 N/A ILE 300.A N VAL 296.A O no hydrogen 2.932 N/A THR 301.A N GLY 297.A O no hydrogen 2.982 N/A THR 301.A OG1 GLU 115.A OE2 no hydrogen 3.444 N/A THR 301.A OG1 GLY 297.A O no hydrogen 3.091 N/A GLN 302.A N GLU 298.A O no hydrogen 2.955 N/A MET 303.A N ARG 299.A O no hydrogen 2.984 N/A GLN 304.A N ILE 300.A O no hydrogen 3.184 N/A ARG 305.A N THR 301.A O no hydrogen 2.972 N/A LEU 306.A N GLN 302.A O no hydrogen 2.912 N/A THR 307.A N MET 303.A O no hydrogen 2.732 N/A