Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gg9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 25.A O no hydrogen 3.087 N/A LEU 2.A N HIS 26.A ND1 no hydrogen 2.901 N/A LYS 3.A N GLU 49.A OE2 no hydrogen 2.939 N/A ILE 4.A N GLU 27.A O no hydrogen 2.701 N/A ALA 5.A N ALA 50.A O no hydrogen 2.981 N/A VAL 6.A N LYS 29.A O no hydrogen 2.883 N/A LEU 7.A N VAL 52.A O no hydrogen 3.229 N/A ASP 9.A N PHE 31.A O no hydrogen 2.940 N/A TYR 10.A OH THR 34.A OG1 no hydrogen 2.617 N/A ASP 12.A N ASP 9.A O no hydrogen 3.051 N/A ALA 13.A N ASP 9.A OD1 no hydrogen 3.114 N/A VAL 14.A N ASP 9.A OD2 no hydrogen 2.985 N/A ARG 15.A NE ASP 12.A OD1 no hydrogen 3.445 N/A ARG 15.A NE ASP 12.A OD2 no hydrogen 2.847 N/A ARG 15.A NH2 ASP 12.A OD2 no hydrogen 2.966 N/A LYS 16.A N ALA 13.A O no hydrogen 3.120 N/A LYS 16.A NZ ASP 12.A O no hydrogen 3.240 N/A LEU 17.A N VAL 14.A O no hydrogen 3.161 N/A ASP 18.A N GLU 309.A OE1 no hydrogen 2.831 N/A CYS 19.A N GLU 309.A OE2 no hydrogen 3.155 N/A CYS 19.A SG GLU 309.A O no hydrogen 3.810 N/A CYS 19.A SG GLU 309.A OE2 no hydrogen 3.773 N/A PHE 20.A N LEU 17.A O no hydrogen 3.201 N/A SER 21.A OG.B ASP 18.A O no hydrogen 3.532 N/A LEU 22.A N CYS 19.A O no hydrogen 2.943 N/A LEU 23.A N PHE 20.A O no hydrogen 3.133 N/A GLN 24.A N SER 21.A O no hydrogen 3.259 N/A HIS 26.A N LEU 23.A O no hydrogen 2.987 N/A GLU 27.A N LEU 2.A O no hydrogen 3.043 N/A LYS 29.A N ILE 4.A O no hydrogen 2.874 N/A PHE 31.A N VAL 6.A O no hydrogen 2.868 N/A ASN 32.A ND2 ASP 9.A O no hydrogen 2.861 N/A ASN 32.A ND2 ASP 12.A OD1 no hydrogen 3.089 N/A THR 34.A OG1 ASP 8.A OD1 no hydrogen 2.896 N/A THR 34.A OG1 TYR 10.A OH no hydrogen 2.617 N/A LYS 36.A NZ.A GLU 280.A O no hydrogen 3.381 N/A LYS 36.A NZ.B GLU 280.A O no hydrogen 2.603 N/A GLN 40.A NE2 LYS 36.A O no hydrogen 3.503 N/A LEU 41.A N GLY 37.A O no hydrogen 3.364 N/A ALA 42.A N VAL 38.A O no hydrogen 2.888 N/A ALA 43.A N GLY 39.A O no hydrogen 3.124 N/A ARG 44.A N GLN 40.A O no hydrogen 3.128 N/A ARG 44.A NH1.B ASN 33.A OD1 no hydrogen 2.865 N/A ARG 44.A NH2.B ASN 33.A O no hydrogen 3.049 N/A ARG 44.A NH2.B ASN 33.A OD1 no hydrogen 3.156 N/A VAL 45.A N LEU 41.A O no hydrogen 3.072 N/A VAL 48.A N VAL 45.A O no hydrogen 3.227 N/A GLU 49.A N LYS 3.A O no hydrogen 2.892 N/A ALA 50.A N LYS 3.A O no hydrogen 3.125 N/A LEU 51.A N ILE 73.A O no hydrogen 2.912 N/A VAL 52.A N ALA 5.A O no hydrogen 2.745 N/A LEU 53.A N SER 75.A O no hydrogen 3.076 N/A ARG 55.A N THR 77.A OG1 no hydrogen 2.825 N/A ARG 55.A NH2.A THR 77.A O no hydrogen 2.710 N/A ARG 55.A NH2.A ARG 79.A O no hydrogen 3.286 N/A ARG 57.A N ILE 54.A O no hydrogen 3.079 N/A ARG 57.A NE TYR 302.A OH.B no hydrogen 2.922 N/A ARG 57.A NH1 ASP 8.A O no hydrogen 2.777 N/A ARG 57.A NH1 TYR 308.A OH no hydrogen 3.280 N/A ARG 57.A NH2 TYR 308.A OH no hydrogen 2.908 N/A THR 58.A OG1 ASP 8.A OD1 no hydrogen 3.332 N/A THR 58.A OG1 ASP 8.A OD2 no hydrogen 2.487 N/A ARG 59.A NH2 GLY 86.A O no hydrogen 3.415 N/A VAL 60.A N HIS 87.A O no hydrogen 2.682 N/A ARG 62.A NH1 ASP 95.A OD2 no hydrogen 2.789 N/A ARG 62.A NH2 ASP 95.A OD2 no hydrogen 2.884 N/A LEU 64.A N THR 61.A O no hydrogen 3.145 N/A LEU 64.A N THR 61.A OG1 no hydrogen 3.057 N/A LEU 65.A N THR 61.A O no hydrogen 3.034 N/A ASP 66.A N ARG 62.A O no hydrogen 2.886 N/A ARG 67.A N LEU 64.A O no hydrogen 2.872 N/A ARG 67.A NH1 GLN 63.A O no hydrogen 3.107 N/A LEU 68.A N LEU 65.A O no hydrogen 3.256 N/A LYS 72.A N GLU 49.A O no hydrogen 2.841 N/A LYS 72.A NZ GLU 49.A OE1 no hydrogen 3.221 N/A ILE 73.A N GLU 49.A O no hydrogen 3.062 N/A ILE 74.A N VAL 99.A O no hydrogen 2.899 N/A SER 75.A N LEU 51.A O no hydrogen 2.750 N/A SER 75.A OG ALA 315.A O no hydrogen 2.790 N/A GLN 76.A N LEU 101.A O no hydrogen 2.942 N/A GLN 76.A NE2 ARG 55.A O no hydrogen 2.935 N/A GLN 76.A NE2 THR 77.A O no hydrogen 2.871 N/A THR 77.A N LEU 53.A O no hydrogen 3.184 N/A THR 77.A OG1 LEU 53.A O no hydrogen 2.750 N/A VAL 80.A N GLU 102.A OE1 no hydrogen 2.853 N/A SER 81.A OG ASP 83.A OD1 no hydrogen 3.426 N/A ARG 82.A NH2 VAL 80.A O no hydrogen 3.200 N/A ARG 82.A NH2 GLU 102.A OE1 no hydrogen 3.458 N/A ARG 82.A NH2 GLU 102.A OE2 no hydrogen 3.053 N/A HIS 87.A ND1.A THR 58.A O no hydrogen 2.849 N/A HIS 87.A ND1.B GLU 56.A OE1 no hydrogen 3.072 N/A HIS 87.A NE2.B GLN 76.A OE1 no hydrogen 2.767 N/A ASP 89.A N VAL 60.A O no hydrogen 3.008 N/A ALA 92.A N ASP 89.A OD1 no hydrogen 3.214 N/A CYS 93.A N ASP 89.A O no hydrogen 3.067 N/A CYS 93.A SG ASP 89.A O no hydrogen 3.392 N/A THR 94.A N LEU 90.A O no hydrogen 2.836 N/A THR 94.A OG1 LEU 90.A O no hydrogen 2.843 N/A ASP 95.A N GLU 91.A O no hydrogen 2.918 N/A LYS 96.A N ALA 92.A O no hydrogen 3.200 N/A LYS 96.A NZ ASP 66.A OD2 no hydrogen 2.956 N/A GLY 97.A N THR 94.A O no hydrogen 3.152 N/A VAL 98.A N CYS 93.A O no hydrogen 2.826 N/A VAL 99.A N LYS 72.A O no hydrogen 3.120 N/A VAL 100.A N ASN 332.A OD1 no hydrogen 2.909 N/A LEU 101.A N ILE 74.A O no hydrogen 2.708 N/A GLU 102.A N SER 329.A O no hydrogen 2.764 N/A GLY 103.A N GLY 78.A O no hydrogen 2.982 N/A SER 106.A N TYR 311.A OH no hydrogen 2.897 N/A ALA 111.A N PRO 107.A O no hydrogen 3.056 N/A GLU 112.A N VAL 108.A O no hydrogen 2.944 N/A LEU 113.A N ALA 109.A O no hydrogen 2.992 N/A THR 114.A N PRO 110.A O no hydrogen 2.984 N/A THR 114.A OG1 PRO 110.A O no hydrogen 2.797 N/A THR 114.A OG1 THR 249.A OG1 no hydrogen 2.782 N/A TRP 115.A N ALA 111.A O no hydrogen 3.164 N/A ALA 116.A N GLU 112.A O no hydrogen 2.902 N/A LEU 117.A N LEU 113.A O no hydrogen 3.039 N/A VAL 118.A N THR 114.A O no hydrogen 3.018 N/A MET 119.A N TRP 115.A O no hydrogen 2.974 N/A ALA 120.A N ALA 116.A O no hydrogen 2.854 N/A ALA 121.A N LEU 117.A O no hydrogen 2.829 N/A GLN 122.A N VAL 118.A O no hydrogen 2.898 N/A ARG 123.A N MET 119.A O no hydrogen 3.070 N/A ARG 124.A N ALA 121.A O no hydrogen 2.975 N/A ARG 124.A NE PHE 151.A O no hydrogen 2.910 N/A ARG 124.A NH1 PHE 151.A O no hydrogen 2.867 N/A ARG 124.A NH2 ALA 121.A O no hydrogen 2.814 N/A ILE 125.A N ALA 120.A O no hydrogen 2.916 N/A GLN 127.A N GLN 127.A OE1 no hydrogen 2.819 N/A GLN 127.A NE2 GLU 292.A O no hydrogen 3.085 N/A TYR 128.A N ARG 124.A O no hydrogen 2.946 N/A VAL 129.A N ILE 125.A O no hydrogen 2.929 N/A ALA 130.A N PRO 126.A O no hydrogen 2.990 N/A SER 131.A N GLN 127.A O no hydrogen 3.162 N/A SER 131.A OG GLN 127.A O no hydrogen 3.117 N/A SER 131.A OG GLN 139.A O no hydrogen 2.721 N/A LEU 132.A N TYR 128.A O no hydrogen 3.109 N/A LYS 133.A N VAL 129.A O no hydrogen 3.175 N/A HIS 134.A N SER 131.A O no hydrogen 3.140 N/A GLY 135.A N LEU 132.A O no hydrogen 3.054 N/A ALA 136.A N SER 131.A O no hydrogen 2.849 N/A SER 140.A OG GLY 152.A O no hydrogen 2.427 N/A LEU 142.A N GLU 292.A OE1 no hydrogen 2.857 N/A SER 144.A OG THR 146.A OG1 no hydrogen 2.770 N/A THR 146.A N SER 144.A OG no hydrogen 3.187 N/A THR 146.A OG1 SER 144.A OG no hydrogen 2.770 N/A MET 147.A N SER 144.A O no hydrogen 3.088 N/A PHE 151.A N PRO 148.A O no hydrogen 3.319 N/A ILE 153.A N ASN 150.A O no hydrogen 3.145 N/A ARG 155.A N GLN 122.A O no hydrogen 2.889 N/A ARG 155.A NH1 GLN 160.A OE1 no hydrogen 3.121 N/A GLY 159.A N GLY 182.A O no hydrogen 2.765 N/A GLN 160.A N LEU 157.A O no hydrogen 2.902 N/A THR 161.A N ASP 216.A OD2 no hydrogen 2.742 N/A LEU 162.A N ASN 184.A O no hydrogen 2.826 N/A GLY 163.A N VAL 217.A O no hydrogen 2.734 N/A ILE 164.A N LEU 186.A O no hydrogen 2.745 N/A PHE 165.A N SER 219.A O no hydrogen 3.024 N/A GLY 166.A N TRP 188.A O no hydrogen 2.863 N/A TYR 167.A OH ASP 200.A OD2 no hydrogen 2.451 N/A GLN 172.A N GLY 168.A O no hydrogen 3.070 N/A LEU 173.A N LYS 169.A O no hydrogen 3.365 N/A VAL 174.A N ILE 170.A O no hydrogen 3.093 N/A ALA 175.A N GLY 171.A O no hydrogen 2.839 N/A GLY 176.A N GLN 172.A O no hydrogen 3.107 N/A TYR 177.A N LEU 173.A O no hydrogen 3.000 N/A GLY 178.A N VAL 174.A O no hydrogen 3.113 N/A ARG 179.A N ALA 175.A O no hydrogen 3.074 N/A ARG 179.A NH2.A MET 183.A O no hydrogen 3.439 N/A ARG 179.A NH2.B ASP 200.A O no hydrogen 3.125 N/A ALA 180.A N GLY 176.A O no hydrogen 2.983 N/A PHE 181.A N TYR 177.A O no hydrogen 2.923 N/A GLY 182.A N ARG 179.A O no hydrogen 2.967 N/A MET 183.A N GLY 178.A O no hydrogen 2.998 N/A ASN 184.A N GLN 160.A O no hydrogen 2.548 N/A ASN 184.A ND2 THR 161.A OG1 no hydrogen 3.138 N/A LEU 186.A N LEU 162.A O no hydrogen 2.867 N/A VAL 187.A N ALA 203.A O no hydrogen 2.920 N/A TRP 188.A N ILE 164.A O no hydrogen 2.875 N/A LYS 194.A N ARG 190.A O no hydrogen 3.177 N/A GLU 195.A N GLU 191.A O no hydrogen 3.037 N/A ARG 196.A N ASN 192.A O no hydrogen 3.067 N/A ARG 196.A NE.B TYR 167.A O no hydrogen 3.358 N/A ARG 196.A NH2.B TYR 167.A O no hydrogen 2.595 N/A ALA 197.A N SER 193.A O no hydrogen 2.897 N/A ARG 198.A N LYS 194.A O no hydrogen 2.974 N/A ALA 199.A N GLU 195.A O no hydrogen 3.035 N/A ASP 200.A N ARG 196.A O no hydrogen 3.066 N/A ASP 200.A N ALA 197.A O no hydrogen 3.105 N/A GLY 201.A N ARG 198.A O no hydrogen 3.247 N/A PHE 202.A N ALA 197.A O no hydrogen 2.909 N/A ALA 205.A N VAL 187.A O no hydrogen 2.859 N/A LYS 208.A NZ ILE 231.A O no hydrogen 2.771 N/A LYS 208.A NZ ASP 236.A OD1 no hydrogen 3.374 N/A ALA 210.A N SER 207.A OG no hydrogen 3.158 N/A LEU 211.A N SER 207.A O no hydrogen 3.142 N/A PHE 212.A N LYS 208.A O no hydrogen 3.351 N/A GLU 213.A N ASP 209.A O no hydrogen 3.134 N/A GLN 214.A N ALA 210.A O no hydrogen 3.074 N/A GLN 214.A NE2 ALA 210.A O no hydrogen 3.137 N/A SER 215.A N LEU 211.A O no hydrogen 3.277 N/A SER 215.A OG LEU 211.A O no hydrogen 2.648 N/A ASP 216.A N THR 161.A O no hydrogen 2.654 N/A VAL 217.A N THR 161.A O no hydrogen 3.067 N/A LEU 218.A N LEU 245.A O no hydrogen 2.821 N/A SER 219.A N GLY 163.A O no hydrogen 2.816 N/A SER 219.A OG HIS 221.A NE2 no hydrogen 2.816 N/A VAL 220.A N VAL 247.A O no hydrogen 3.027 N/A HIS 221.A N PHE 165.A O no hydrogen 2.833 N/A LEU 222.A N SER 250.A OG no hydrogen 3.353 N/A ASN 225.A N THR 228.A OG1 no hydrogen 2.993 N/A THR 228.A N ASN 225.A O no hydrogen 3.026 N/A THR 228.A N ASN 225.A OD1 no hydrogen 3.056 N/A THR 228.A OG1 ARG 223.A O no hydrogen 2.771 N/A THR 228.A OG1 ASN 225.A O no hydrogen 3.288 N/A THR 228.A OG1 ASN 225.A OD1 no hydrogen 3.326 N/A ARG 229.A N ASN 225.A O no hydrogen 2.889 N/A SER 230.A N GLU 253.A O no hydrogen 2.915 N/A ILE 231.A N THR 228.A O no hydrogen 3.158 N/A ILE 232.A N LEU 254.A O no hydrogen 3.047 N/A THR 233.A N ASP 236.A OD1 no hydrogen 3.018 N/A THR 233.A OG1 ASP 236.A OD1 no hydrogen 3.052 N/A VAL 234.A N GLU 256.A OE1 no hydrogen 2.742 N/A ASP 236.A N THR 233.A OG1 no hydrogen 3.175 N/A LEU 237.A N THR 233.A O no hydrogen 3.141 N/A THR 238.A N VAL 234.A O no hydrogen 2.864 N/A THR 238.A OG1 VAL 234.A O no hydrogen 2.746 N/A THR 238.A OG1 ALA 235.A O no hydrogen 3.324 N/A ARG 239.A N ASP 236.A O no hydrogen 3.233 N/A ARG 239.A NH1.A ASP 236.A OD2 no hydrogen 2.858 N/A MET 240.A N LEU 237.A O no hydrogen 3.041 N/A LYS 241.A NZ ASP 216.A OD1 no hydrogen 2.799 N/A ALA 244.A N LYS 241.A O no hydrogen 3.196 N/A LEU 245.A N ASP 216.A O no hydrogen 2.901 N/A PHE 246.A N MET 271.A O no hydrogen 2.844 N/A VAL 247.A N LEU 218.A O no hydrogen 2.742 N/A ASN 248.A N ALA 273.A O no hydrogen 3.013 N/A ASN 248.A ND2 ARG 251.A O no hydrogen 2.964 N/A THR 249.A OG1 THR 114.A OG1 no hydrogen 2.782 N/A SER 250.A N ASN 248.A OD1 no hydrogen 2.899 N/A SER 250.A OG VAL 220.A O no hydrogen 2.748 N/A ARG 251.A NH1.B GLU 253.A OE2 no hydrogen 3.093 N/A ARG 251.A NH2.A GLU 253.A OE2 no hydrogen 3.338 N/A GLU 253.A N GLU 253.A OE2 no hydrogen 2.879 N/A LEU 254.A N ARG 251.A O no hydrogen 3.403 N/A VAL 255.A N ALA 252.A O no hydrogen 3.188 N/A GLU 256.A N ILE 232.A O no hydrogen 2.886 N/A GLY 259.A N GLU 256.A O no hydrogen 2.779 N/A THR 262.A N ASN 258.A O no hydrogen 2.982 N/A THR 262.A OG1 ASN 258.A O no hydrogen 2.783 N/A ALA 263.A N GLY 259.A O no hydrogen 2.844 N/A LEU 264.A N MET 260.A O no hydrogen 2.852 N/A ASN 265.A N VAL 261.A O no hydrogen 2.928 N/A ARG 266.A N THR 262.A O no hydrogen 3.139 N/A ARG 266.A N ALA 263.A O no hydrogen 3.013 N/A GLY 267.A N LEU 264.A O no hydrogen 3.066 N/A ARG 268.A NE THR 238.A O no hydrogen 3.222 N/A ARG 268.A NE MET 240.A O no hydrogen 2.863 N/A GLY 270.A N ALA 244.A O no hydrogen 2.952 N/A MET 271.A N ALA 244.A O no hydrogen 3.033 N/A ALA 272.A N ASN 293.A O no hydrogen 3.014 N/A ALA 273.A N PHE 246.A O no hydrogen 2.893 N/A ILE 274.A N ILE 295.A O no hydrogen 2.898 N/A ASP 275.A N ASN 248.A O no hydrogen 3.109 N/A PHE 277.A N GLU 280.A OE2 no hydrogen 2.754 N/A GLU 278.A N GLU 278.A OE1 no hydrogen 2.856 N/A LEU 288.A N HIS 286.A ND1 no hydrogen 3.052 N/A LEU 289.A N HIS 286.A O no hydrogen 2.984 N/A ARG 290.A N THR 287.A O no hydrogen 3.079 N/A MET 291.A N LEU 288.A O no hydrogen 3.275 N/A ASN 293.A ND2 GLY 270.A O no hydrogen 3.185 N/A CYS 294.A N MET 291.A O no hydrogen 3.058 N/A CYS 294.A SG ALA 272.A O no hydrogen 3.886 N/A ILE 295.A N ALA 272.A O no hydrogen 2.938 N/A THR 297.A N ILE 274.A O no hydrogen 3.020 N/A THR 297.A OG1 ILE 274.A O no hydrogen 3.377 N/A THR 297.A OG1 ASP 275.A OD1 no hydrogen 2.687 N/A HIS 299.A N THR 297.A O no hydrogen 3.007 N/A HIS 299.A ND1 GLU 280.A OE1 no hydrogen 2.602 N/A ILE 300.A N ASP 275.A OD1 no hydrogen 2.807 N/A GLY 301.A N ASP 275.A OD2 no hydrogen 2.972 N/A VAL 303.A N ILE 300.A O no hydrogen 3.021 N/A GLU 306.A N GLU 304.A OE2 no hydrogen 2.895 N/A SER 307.A N GLU 304.A OE1 no hydrogen 2.763 N/A SER 307.A OG TYR 302.A O no hydrogen 3.151 N/A TYR 308.A N GLU 304.A O no hydrogen 2.829 N/A GLU 309.A N ARG 305.A O no hydrogen 2.977 N/A MET 310.A N GLU 306.A O no hydrogen 2.992 N/A TYR 311.A N SER 307.A O no hydrogen 2.795 N/A PHE 312.A N TYR 308.A O no hydrogen 2.908 N/A GLY 313.A N GLU 309.A O no hydrogen 2.868 N/A ILE 314.A N MET 310.A O no hydrogen 3.077 N/A ALA 315.A N TYR 311.A O no hydrogen 3.069 N/A PHE 316.A N PHE 312.A O no hydrogen 2.775 N/A GLN 317.A N GLY 313.A O no hydrogen 2.905 N/A GLN 317.A NE2 ASP 321.A OD1 no hydrogen 3.041 N/A ASN 318.A N ILE 314.A O no hydrogen 2.850 N/A ASN 318.A ND2 GLU 102.A O no hydrogen 2.921 N/A ILE 319.A N ALA 315.A O no hydrogen 3.355 N/A LEU 320.A N PHE 316.A O no hydrogen 3.180 N/A ASP 321.A N GLN 317.A O no hydrogen 2.785 N/A ILE 322.A N ASN 318.A O no hydrogen 3.006 N/A LEU 323.A N ILE 319.A O no hydrogen 3.147 N/A GLN 324.A N ASP 321.A O no hydrogen 3.225 N/A GLY 325.A N ILE 322.A O no hydrogen 2.918 N/A ASN 326.A N ASP 321.A O no hydrogen 2.899 N/A ASP 328.A N ASN 326.A OD1 no hydrogen 3.001 N/A VAL 330.A N VAL 327.A O no hydrogen 3.158 N/A ALA 331.A N VAL 100.A O no hydrogen 2.693 N/A ASN 332.A ND2 THR 94.A OG1 no hydrogen 3.106 N/A ASN 332.A ND2 VAL 98.A O no hydrogen 3.036 N/A ALA 335.A N ASN 332.A O no hydrogen 2.954 N/A LEU 336.A N PRO 333.A O no hydrogen 3.024 N/A ILE 341.A N PRO 338.A O no hydrogen 2.869 N/A ARG 342.A N PRO 338.A O no hydrogen 3.077 N/A ARG 342.A NE ALA 337.A O no hydrogen 2.864 N/A