Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gd7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A NE1 ILE 68.A O no hydrogen 2.792 N/A SER 5.A N ASP 69.A OD1 no hydrogen 2.808 N/A SER 5.A OG ILE 2.A O no hydrogen 2.773 N/A GLY 6.A N ASP 69.A OD1 no hydrogen 2.925 N/A GLY 7.A N ASP 69.A OD2 no hydrogen 3.239 N/A MET 9.A N ILE 33.A O no hydrogen 2.871 N/A THR 10.A N GLN 67.A O no hydrogen 2.967 N/A THR 10.A OG1 GLN 8.A OE1 no hydrogen 2.743 N/A VAL 11.A N PHE 31.A O no hydrogen 2.764 N/A LYS 12.A N GLU 65.A O no hydrogen 2.959 N/A ASP 13.A N SER 30.A OG no hydrogen 2.713 N/A LEU 14.A N ILE 29.A O no hydrogen 2.785 N/A THR 15.A N GLU 63.A O no hydrogen 2.804 N/A ALA 16.A N LEU 26.A O no hydrogen 2.818 N/A LYS 17.A N ASN 61.A O no hydrogen 2.893 N/A TYR 18.A OH THR 51.A OG1 no hydrogen 2.845 N/A ILE 25.A N ALA 16.A O no hydrogen 3.129 N/A ASN 28.A N THR 15.A OG1 no hydrogen 3.199 N/A ASN 28.A ND2 ASP 13.A OD2 no hydrogen 2.808 N/A ILE 29.A N LEU 14.A O no hydrogen 2.976 N/A PHE 31.A N VAL 11.A O no hydrogen 2.974 N/A SER 32.A OG MET 9.A O no hydrogen 3.524 N/A ILE 33.A N MET 9.A O no hydrogen 2.700 N/A GLY 36.A N THR 195.A OG1 no hydrogen 3.199 N/A GLN 37.A N SER 34.A O no hydrogen 3.352 N/A ARG 38.A N ASP 210.A OD2 no hydrogen 3.254 N/A VAL 39.A N VAL 196.A O no hydrogen 2.635 N/A GLY 40.A N GLN 211.A O no hydrogen 2.917 N/A LEU 41.A N LEU 198.A O no hydrogen 2.800 N/A LEU 42.A N LEU 213.A O no hydrogen 2.957 N/A SER 47.A N ARG 44.A O no hydrogen 2.827 N/A SER 47.A OG ARG 44.A O no hydrogen 2.633 N/A LYS 49.A NZ GLY 43.A O no hydrogen 3.348 N/A SER 50.A OG ASP 169.A OD2 no hydrogen 2.751 N/A THR 51.A OG1 TYR 18.A OH no hydrogen 2.845 N/A LEU 52.A N GLY 48.A O no hydrogen 2.987 N/A LEU 53.A N LYS 49.A O no hydrogen 3.284 N/A SER 54.A N SER 50.A O no hydrogen 2.791 N/A SER 54.A OG SER 50.A O no hydrogen 3.375 N/A ALA 55.A N THR 51.A O no hydrogen 2.676 N/A PHE 56.A N LEU 52.A O no hydrogen 3.129 N/A LEU 57.A N SER 54.A O no hydrogen 3.169 N/A ARG 58.A N ALA 55.A O no hydrogen 2.929 N/A ARG 58.A NE THR 62.A OG1 no hydrogen 3.355 N/A ARG 58.A NH1 ASP 74.A OD2 no hydrogen 2.917 N/A LEU 59.A N SER 54.A O no hydrogen 3.071 N/A GLU 63.A N THR 15.A O no hydrogen 2.749 N/A GLU 65.A N LYS 12.A O no hydrogen 3.229 N/A GLN 67.A N THR 10.A O no hydrogen 2.905 N/A ILE 68.A N VAL 71.A O no hydrogen 2.902 N/A ASP 69.A N GLN 8.A O no hydrogen 2.894 N/A VAL 71.A N ILE 68.A O no hydrogen 3.023 N/A SER 72.A OG GLU 65.A OE2 no hydrogen 3.305 N/A TRP 73.A N ILE 66.A O no hydrogen 3.091 N/A TRP 73.A NE1 GLY 64.A O no hydrogen 2.973 N/A SER 75.A N SER 72.A O no hydrogen 3.408 N/A SER 75.A OG SER 72.A O no hydrogen 3.171 N/A THR 77.A N GLN 80.A OE1 no hydrogen 3.469 N/A THR 77.A OG1 GLN 80.A OE1 no hydrogen 2.864 N/A GLN 80.A N THR 77.A OG1 no hydrogen 3.368 N/A TRP 81.A N THR 77.A O no hydrogen 3.010 N/A TRP 81.A NE1 PHE 56.A O no hydrogen 2.485 N/A ARG 82.A N LEU 78.A O no hydrogen 2.769 N/A ARG 82.A NH1 ARG 58.A O no hydrogen 3.269 N/A LYS 83.A N GLU 79.A O no hydrogen 3.069 N/A LYS 83.A N GLN 80.A O no hydrogen 3.123 N/A ALA 84.A N TRP 81.A O no hydrogen 3.235 N/A PHE 85.A N ARG 82.A O no hydrogen 3.197 N/A GLY 86.A N ILE 165.A O no hydrogen 2.852 N/A ILE 88.A N LEU 167.A O no hydrogen 2.973 N/A GLN 90.A NE2 CYS 154.A O no hydrogen 3.107 N/A GLN 90.A NE2 SER 158.A OG no hydrogen 2.828 N/A PHE 95.A N ASN 102.A OD1 no hydrogen 2.713 N/A GLY 97.A N LEU 138.A O no hydrogen 3.091 N/A PHE 99.A N PHE 136.A O no hydrogen 3.243 N/A ARG 100.A N LEU 134.A O no hydrogen 3.042 N/A ARG 100.A NE ASP 111.A OD1 no hydrogen 2.788 N/A ARG 100.A NE ASP 111.A OD2 no hydrogen 3.460 N/A ARG 100.A NH1 ASP 135.A OD1 no hydrogen 2.670 N/A ARG 100.A NH2 ASP 111.A OD2 no hydrogen 2.810 N/A ARG 100.A NH2 ASP 135.A OD1 no hydrogen 3.437 N/A ARG 100.A NH2 ASP 135.A OD2 no hydrogen 3.392 N/A LYS 101.A N THR 98.A OG1 no hydrogen 2.844 N/A ASN 102.A N THR 98.A O no hydrogen 3.025 N/A ASN 102.A ND2 PHE 95.A O no hydrogen 3.267 N/A ASN 102.A ND2 THR 98.A O no hydrogen 2.771 N/A LEU 103.A N PHE 99.A O no hydrogen 3.075 N/A ASP 104.A N ARG 100.A O no hydrogen 2.970 N/A ALA 107.A N ASP 104.A O no hydrogen 3.162 N/A ALA 108.A N ASP 104.A OD2 no hydrogen 2.864 N/A HIS 109.A N ASP 104.A OD1 no hydrogen 2.754 N/A SER 110.A N GLU 113.A OE2 no hydrogen 3.158 N/A ILE 114.A N SER 110.A O no hydrogen 2.997 N/A TRP 115.A N ASP 111.A O no hydrogen 2.981 N/A LYS 116.A N GLN 112.A O no hydrogen 3.016 N/A LYS 116.A NZ GLU 120.A OE1 no hydrogen 3.223 N/A VAL 117.A N GLU 113.A O no hydrogen 3.496 N/A ALA 118.A N ILE 114.A O no hydrogen 3.088 N/A ASP 119.A N TRP 115.A O no hydrogen 2.876 N/A GLU 120.A N LYS 116.A O no hydrogen 3.018 N/A VAL 121.A N VAL 117.A O no hydrogen 3.022 N/A GLY 122.A N ASP 119.A O no hydrogen 2.908 N/A LEU 123.A N ALA 118.A O no hydrogen 2.705 N/A ARG 124.A NE GLU 128.A OE1 no hydrogen 2.814 N/A VAL 126.A N LEU 123.A O no hydrogen 2.945 N/A ILE 127.A N LEU 123.A O no hydrogen 3.148 N/A GLU 128.A N ARG 124.A O no hydrogen 3.325 N/A GLN 129.A N VAL 126.A O no hydrogen 3.063 N/A PHE 130.A N ILE 127.A O no hydrogen 3.088 N/A LYS 133.A N PHE 130.A O no hydrogen 2.902 N/A ASP 135.A N GLY 132.A O no hydrogen 2.932 N/A PHE 136.A N LYS 133.A O no hydrogen 3.136 N/A LEU 138.A N GLY 97.A O no hydrogen 2.798 N/A GLY 141.A N SER 96.A OG no hydrogen 3.353 N/A CYS 143.A N VAL 139.A O no hydrogen 3.385 N/A CYS 143.A SG VAL 139.A O no hydrogen 3.671 N/A LEU 145.A N GLY 142.A O no hydrogen 3.146 N/A HIS 149.A N SER 146.A OG no hydrogen 3.134 N/A LYS 150.A N SER 146.A O no hydrogen 3.166 N/A GLN 151.A N HIS 147.A O no hydrogen 2.893 N/A LEU 152.A N GLY 148.A O no hydrogen 3.013 N/A MET 153.A N HIS 149.A O no hydrogen 3.157 N/A CYS 154.A N LYS 150.A O no hydrogen 3.031 N/A CYS 154.A SG PHE 93.A O no hydrogen 3.621 N/A CYS 154.A SG LYS 150.A O no hydrogen 3.368 N/A LEU 155.A N GLN 151.A O no hydrogen 3.058 N/A ALA 156.A N LEU 152.A O no hydrogen 2.844 N/A ARG 157.A N MET 153.A O no hydrogen 2.739 N/A ARG 157.A NE ASN 102.A O no hydrogen 2.714 N/A ARG 157.A NH1 PHE 93.A O no hydrogen 2.693 N/A ARG 157.A NH1 ASN 102.A O no hydrogen 3.148 N/A ARG 157.A NH2 PHE 93.A O no hydrogen 2.881 N/A SER 158.A N CYS 154.A O no hydrogen 2.985 N/A SER 158.A OG CYS 154.A O no hydrogen 3.296 N/A VAL 159.A N LEU 155.A O no hydrogen 2.936 N/A LEU 160.A N ALA 156.A O no hydrogen 2.946 N/A SER 161.A N ARG 157.A O no hydrogen 2.993 N/A SER 161.A OG ARG 157.A O no hydrogen 2.602 N/A ALA 163.A N SER 158.A O no hydrogen 3.175 N/A LYS 164.A N ALA 84.A O no hydrogen 2.876 N/A ILE 165.A N ALA 84.A O no hydrogen 3.094 N/A LEU 166.A N THR 195.A O no hydrogen 2.857 N/A LEU 167.A N GLY 86.A O no hydrogen 2.939 N/A LEU 168.A N ILE 197.A O no hydrogen 2.896 N/A GLU 170.A N CYS 199.A O no hydrogen 2.788 N/A SER 172.A N GLU 200.A OE2 no hydrogen 3.268 N/A SER 172.A OG GLU 200.A OE1 no hydrogen 2.704 N/A SER 172.A OG GLU 200.A OE2 no hydrogen 3.196 N/A ALA 173.A N GLU 170.A O no hydrogen 3.074 N/A HIS 174.A ND1 GLU 170.A O no hydrogen 3.050 N/A LEU 175.A N PRO 171.A O no hydrogen 3.043 N/A THR 179.A N ASP 176.A OD1 no hydrogen 3.120 N/A THR 179.A OG1 ASP 176.A OD1 no hydrogen 3.101 N/A THR 179.A OG1 ASP 176.A OD2 no hydrogen 2.646 N/A TYR 180.A N ASP 176.A O no hydrogen 2.903 N/A GLN 181.A N PRO 177.A O no hydrogen 3.190 N/A ILE 182.A N VAL 178.A O no hydrogen 3.273 N/A ILE 183.A N THR 179.A O no hydrogen 3.059 N/A ARG 184.A N TYR 180.A O no hydrogen 2.970 N/A ARG 185.A N GLN 181.A O no hydrogen 2.845 N/A THR 186.A N ILE 182.A O no hydrogen 2.954 N/A THR 186.A OG1 GLU 120.A O no hydrogen 2.476 N/A LEU 187.A N ILE 183.A O no hydrogen 2.944 N/A LYS 188.A N ARG 185.A O no hydrogen 3.013 N/A GLN 189.A N THR 186.A O no hydrogen 3.168 N/A PHE 191.A N THR 186.A O no hydrogen 2.953 N/A ALA 192.A N GLN 189.A O no hydrogen 3.447 N/A CYS 194.A N PHE 191.A O no hydrogen 2.977 N/A CYS 194.A SG LYS 164.A O no hydrogen 3.413 N/A THR 195.A OG1 GLY 7.A O no hydrogen 2.726 N/A VAL 196.A N GLN 37.A O no hydrogen 3.037 N/A ILE 197.A N LEU 166.A O no hydrogen 2.784 N/A LEU 198.A N VAL 39.A O no hydrogen 2.768 N/A CYS 199.A N LEU 168.A O no hydrogen 2.975 N/A CYS 199.A SG LEU 41.A O no hydrogen 3.991 N/A MET 206.A N ILE 203.A O no hydrogen 2.851 N/A CYS 209.A SG MET 206.A O no hydrogen 3.373 N/A ASP 210.A N ARG 38.A O no hydrogen 2.753 N/A PHE 212.A N TYR 223.A O no hydrogen 2.953 N/A LEU 213.A N GLY 40.A O no hydrogen 2.933 N/A VAL 214.A N ARG 221.A O no hydrogen 2.731 N/A ILE 215.A N LEU 42.A O no hydrogen 2.862 N/A GLU 216.A N LYS 219.A O no hydrogen 2.897 N/A LYS 219.A N GLU 216.A O no hydrogen 3.247 N/A ARG 221.A N VAL 214.A O no hydrogen 2.767 N/A GLN 222.A NE2 ASP 224.A OD2 no hydrogen 3.275 N/A TYR 223.A N PHE 212.A O no hydrogen 2.795 N/A ASP 224.A N GLU 228.A OE2 no hydrogen 2.762 N/A GLU 228.A N SER 225.A OG no hydrogen 3.066 N/A LEU 229.A N SER 225.A O no hydrogen 3.215 N/A TYR 230.A N ILE 226.A O no hydrogen 2.849 N/A TYR 230.A OH GLU 296.A OE1 no hydrogen 2.637 N/A TYR 230.A OH HIS 297.A NE2 no hydrogen 3.207 N/A HIS 231.A N LEU 227.A O no hydrogen 2.938 N/A TYR 232.A N GLU 228.A O no hydrogen 2.932 N/A TYR 232.A OH HIS 374.A O no hydrogen 2.867 N/A ALA 234.A N TYR 223.A OH no hydrogen 2.819 N/A ARG 236.A N GLY 367.A O no hydrogen 2.958 N/A ARG 236.A NH2 SER 290.A OG no hydrogen 2.546 N/A VAL 238.A N ASP 235.A OD1 no hydrogen 3.031 N/A ALA 239.A N ASP 235.A O no hydrogen 3.072 N/A GLY 240.A N ARG 236.A O no hydrogen 3.169 N/A PHE 241.A N PHE 237.A O no hydrogen 2.899 N/A ASN 248.A N ILE 293.A O no hydrogen 2.880 N/A ASN 248.A ND2 ILE 293.A O no hydrogen 3.231 N/A ASN 248.A ND2 VAL 336.A O no hydrogen 2.706 N/A LEU 250.A N LEU 291.A O no hydrogen 2.823 N/A VAL 252.A N MET 289.A O no hydrogen 2.759 N/A LYS 253.A N GLU 265.A O no hydrogen 3.402 N/A VAL 254.A N ALA 287.A O no hydrogen 2.962 N/A THR 255.A N GLN 263.A O no hydrogen 2.794 N/A ALA 256.A N GLN 263.A O no hydrogen 3.438 N/A ALA 258.A N GLN 261.A O no hydrogen 3.080 N/A VAL 262.A N LEU 276.A O no hydrogen 3.332 N/A GLN 263.A N ALA 256.A O no hydrogen 2.881 N/A VAL 264.A N VAL 274.A O no hydrogen 3.029 N/A GLU 265.A N LYS 253.A O no hydrogen 2.765 N/A LEU 266.A N GLN 272.A O no hydrogen 2.818 N/A ARG 271.A N MET 268.A O no hydrogen 2.706 N/A ARG 271.A NH1 GLU 265.A OE1 no hydrogen 3.369 N/A GLN 272.A NE2 ILE 307.A O no hydrogen 3.317 N/A VAL 274.A N VAL 264.A O no hydrogen 3.040 N/A LEU 276.A N VAL 262.A O no hydrogen 3.026 N/A VAL 278.A N LEU 276.A O no hydrogen 2.633 N/A GLU 279.A N ARG 371.A O no hydrogen 2.706 N/A SER 280.A OG ALA 258.A O no hydrogen 2.764 N/A SER 280.A OG GLN 261.A O no hydrogen 3.521 N/A GLY 286.A N VAL 254.A O no hydrogen 2.890 N/A ALA 287.A N GLN 284.A O no hydrogen 2.977 N/A MET 289.A N VAL 252.A O no hydrogen 2.657 N/A SER 290.A N PHE 363.A O no hydrogen 2.729 N/A LEU 291.A N LEU 250.A O no hydrogen 2.678 N/A GLY 292.A N HIS 361.A O no hydrogen 2.704 N/A ILE 293.A N ASN 248.A O no hydrogen 2.927 N/A ARG 294.A NH1 ALA 239.A O no hydrogen 3.345 N/A ARG 294.A NH1 ILE 242.A O no hydrogen 2.842 N/A ARG 294.A NH2 TYR 230.A O no hydrogen 2.765 N/A HIS 297.A N ARG 294.A O no hydrogen 2.829 N/A LEU 299.A N GLY 354.A O no hydrogen 3.222 N/A SER 301.A OG ALA 352.A O no hydrogen 2.738 N/A LEU 308.A N ILE 353.A O no hydrogen 3.085 N/A GLY 310.A N PHE 351.A O no hydrogen 3.041 N/A GLU 311.A N GLN 327.A O no hydrogen 3.068 N/A VAL 312.A N ALA 349.A O no hydrogen 3.062 N/A GLN 313.A N HIS 325.A O no hydrogen 2.732 N/A GLN 313.A NE2 GLU 311.A O no hydrogen 2.820 N/A GLU 316.A N GLN 323.A O no hydrogen 2.866 N/A LEU 318.A N GLU 321.A O no hydrogen 3.176 N/A THR 322.A OG1 ASP 341.A O no hydrogen 3.061 N/A GLN 323.A N GLU 316.A O no hydrogen 2.904 N/A GLN 323.A NE2 GLU 321.A OE2 no hydrogen 2.787 N/A ILE 324.A N TYR 337.A O no hydrogen 2.696 N/A HIS 325.A N VAL 314.A O no hydrogen 2.781 N/A ILE 326.A N LEU 335.A O no hydrogen 2.927 N/A GLN 327.A N GLU 311.A O no hydrogen 2.807 N/A ILE 331.A N ILE 328.A O no hydrogen 3.172 N/A LEU 335.A N ILE 326.A O no hydrogen 2.842 N/A VAL 336.A N ASN 248.A OD1 no hydrogen 2.824 N/A TYR 337.A N ILE 324.A O no hydrogen 2.741 N/A ARG 338.A N PRO 295.A O no hydrogen 3.383 N/A GLN 339.A N THR 322.A O no hydrogen 2.951 N/A VAL 343.A N THR 322.A OG1 no hydrogen 3.250 N/A GLY 348.A N VAL 312.A O no hydrogen 2.798 N/A PHE 351.A N GLY 310.A O no hydrogen 2.770 N/A GLY 354.A N LEU 299.A O no hydrogen 2.640 N/A ARG 359.A N PRO 356.A O no hydrogen 3.136 N/A ARG 359.A NE GLU 376.A OE1 no hydrogen 3.412 N/A ARG 359.A NE GLU 376.A OE2 no hydrogen 2.863 N/A ARG 359.A NH2 GLU 376.A OE1 no hydrogen 2.906 N/A CYS 360.A N PRO 357.A O no hydrogen 3.165 N/A CYS 360.A SG PRO 356.A O no hydrogen 3.616 N/A HIS 361.A N GLY 292.A O no hydrogen 2.614 N/A HIS 361.A NE2 HIS 231.A O no hydrogen 2.842 N/A PHE 363.A N SER 290.A O no hydrogen 2.735 N/A ARG 364.A N THR 368.A O no hydrogen 2.913 N/A ARG 364.A NE ASP 282.A O no hydrogen 3.013 N/A ARG 364.A NH1 ALA 369.A O no hydrogen 3.392 N/A ARG 364.A NH2 ASP 282.A O no hydrogen 3.157 N/A GLY 367.A N ARG 364.A O no hydrogen 3.128 N/A THR 368.A N ASP 366.A OD1 no hydrogen 3.469 N/A THR 368.A OG1 ASP 366.A OD1 no hydrogen 2.849 N/A THR 368.A OG1 ASP 366.A OD2 no hydrogen 3.412 N/A ALA 369.A N ALA 234.A O no hydrogen 2.913 N/A CYS 370.A N LEU 362.A O no hydrogen 2.899 N/A ARG 371.A NE ARG 372.A O no hydrogen 3.050 N/A ARG 372.A NE HIS 231.A O no hydrogen 3.322 N/A ARG 372.A NE HIS 361.A NE2 no hydrogen 3.238 N/A ARG 372.A NH2 HIS 231.A O no hydrogen 3.272 N/A ARG 372.A NH2 GLU 376.A OE2 no hydrogen 3.169 N/A LEU 373.A N PRO 277.A O no hydrogen 2.929 N/A LYS 375.A NZ LEU 373.A O no hydrogen 3.435 N/A GLU 376.A N TYR 232.A OH no hydrogen 3.110 N/A