Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wg4_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG PHE 3.A O no hydrogen 3.678 N/A PHE 3.A N CYS 310.A O no hydrogen 2.941 N/A CYS 4.A N VAL 338.A O no hydrogen 3.222 N/A GLN 6.A N LYS 336.A O no hydrogen 3.096 N/A VAL 8.A N LEU 334.A O no hydrogen 2.846 N/A GLY 11.A N SER 10.A OG no hydrogen 2.682 N/A LEU 12.A N GLY 332.A O no hydrogen 2.761 N/A ARG 13.A N GLU 32.A OE1 no hydrogen 2.978 N/A ARG 13.A NE GLU 32.A OE2 no hydrogen 3.194 N/A ARG 13.A NH2 GLU 32.A OE2 no hydrogen 3.335 N/A VAL 16.A N LEU 31.A O no hydrogen 3.021 N/A ALA 18.A N PHE 316.A O no hydrogen 3.318 N/A LEU 19.A N PHE 29.A O no hydrogen 2.995 N/A HIS 20.A ND1 GLU 318.A O no hydrogen 2.688 N/A ASP 23.A N GLU 320.A OE2 no hydrogen 2.788 N/A GLY 24.A N GLU 320.A OE2 no hydrogen 3.058 N/A SER 25.A N ASP 23.A OD1 no hydrogen 3.198 N/A SER 25.A OG ASP 23.A OD1 no hydrogen 2.625 N/A SER 25.A OG ASP 23.A OD2 no hydrogen 3.172 N/A GLN 26.A N GLU 320.A OE1 no hydrogen 3.011 N/A ARG 27.A NE SER 25.A OG no hydrogen 2.832 N/A ARG 27.A NH1 ASP 23.A OD2 no hydrogen 2.920 N/A ARG 27.A NH2 PRO 108.A O no hydrogen 3.186 N/A ARG 27.A NH2 HIS 109.A ND1 no hydrogen 3.426 N/A LEU 28.A N LEU 40.A O no hydrogen 2.985 N/A PHE 29.A N LEU 19.A O no hydrogen 2.840 N/A ILE 30.A N LYS 38.A O no hydrogen 2.722 N/A LEU 31.A N GLY 17.A O no hydrogen 2.785 N/A GLU 32.A N TYR 36.A O no hydrogen 2.792 N/A LYS 33.A N GLN 14.A O no hydrogen 2.645 N/A LYS 33.A NZ ASP 64.A O no hydrogen 3.560 N/A LYS 33.A NZ ARG 66.A O no hydrogen 2.690 N/A GLY 35.A N GLU 32.A O no hydrogen 3.010 N/A VAL 37.A N LEU 52.A O no hydrogen 2.981 N/A LYS 38.A N ILE 30.A O no hydrogen 2.994 N/A LYS 38.A NZ GLU 32.A OE1 no hydrogen 2.965 N/A LEU 40.A N LEU 28.A O no hydrogen 2.940 N/A THR 41.A N GLU 45.A O no hydrogen 3.032 N/A THR 41.A OG1 GLU 45.A O no hydrogen 3.441 N/A GLY 44.A N THR 41.A OG1 no hydrogen 3.187 N/A GLU 45.A N THR 41.A OG1 no hydrogen 3.107 N/A PHE 47.A N ILE 39.A O no hydrogen 3.245 N/A TYR 51.A N VAL 37.A O no hydrogen 2.852 N/A TYR 51.A OH TYR 77.A OH no hydrogen 3.021 N/A LEU 52.A N VAL 37.A O no hydrogen 3.279 N/A ILE 54.A N GLY 35.A O no hydrogen 2.955 N/A HIS 55.A N ASP 53.A OD2 no hydrogen 3.511 N/A HIS 55.A ND1 ASP 53.A OD2 no hydrogen 2.855 N/A LEU 57.A N ILE 54.A O no hydrogen 2.872 N/A VAL 58.A N ILE 54.A O no hydrogen 3.119 N/A GLN 59.A N THR 88.A O no hydrogen 3.100 N/A GLN 59.A NE2 LYS 56.A O no hydrogen 3.246 N/A GLU 65.A N ARG 127.A O no hydrogen 3.192 N/A ARG 66.A N ASP 64.A OD2 no hydrogen 3.286 N/A ARG 66.A NE ASP 64.A OD1 no hydrogen 3.388 N/A ARG 66.A NE ASP 64.A OD2 no hydrogen 2.863 N/A ARG 66.A NH1 ASP 64.A OD1 no hydrogen 2.705 N/A GLY 67.A N THR 88.A OG1 no hydrogen 2.770 N/A LEU 68.A N LYS 33.A O no hydrogen 3.064 N/A LEU 69.A N SER 86.A O no hydrogen 2.909 N/A SER 70.A N SER 86.A O no hydrogen 3.234 N/A ALA 72.A N TYR 84.A O no hydrogen 2.643 N/A HIS 74.A N LYS 82.A O no hydrogen 2.887 N/A HIS 74.A NE2 ASP 175.A OD1 no hydrogen 2.681 N/A ASN 76.A N HIS 74.A ND1 no hydrogen 2.872 N/A TYR 77.A N HIS 74.A O no hydrogen 2.802 N/A TYR 77.A OH TYR 51.A OH no hydrogen 3.021 N/A LYS 79.A N ASN 76.A O no hydrogen 2.748 N/A ASN 80.A N ASN 76.A O no hydrogen 2.965 N/A ASN 80.A ND2 HIS 74.A ND1 no hydrogen 3.095 N/A ASN 80.A ND2 PRO 374.A O no hydrogen 3.392 N/A GLY 81.A N TYR 77.A O no hydrogen 2.858 N/A LYS 82.A N ASN 80.A OD1 no hydrogen 2.991 N/A LYS 82.A NZ GLU 100.A OE2 no hydrogen 2.812 N/A LYS 82.A NZ THR 102.A OG1 no hydrogen 2.925 N/A LYS 82.A NZ CYS 372.A O no hydrogen 2.794 N/A LEU 83.A N TYR 101.A O no hydrogen 3.222 N/A TYR 84.A N ALA 72.A O no hydrogen 2.790 N/A TYR 84.A OH GLU 100.A OE1 no hydrogen 3.358 N/A VAL 85.A N VAL 99.A O no hydrogen 2.994 N/A SER 86.A N SER 70.A O no hydrogen 2.776 N/A SER 86.A OG SER 70.A O no hydrogen 3.394 N/A SER 86.A OG GLY 132.A O no hydrogen 2.653 N/A TYR 87.A N ARG 97.A O no hydrogen 3.007 N/A THR 88.A N GLY 67.A O no hydrogen 3.110 N/A THR 88.A OG1 GLN 59.A O no hydrogen 3.366 N/A THR 89.A N ILE 95.A O no hydrogen 2.759 N/A THR 89.A OG1 LEU 57.A O no hydrogen 2.711 N/A ASP 93.A N GLU 124.A O no hydrogen 2.961 N/A HIS 94.A N GLU 124.A O no hydrogen 3.332 N/A HIS 94.A NE2 HIS 126.A O no hydrogen 3.144 N/A ILE 95.A N THR 89.A O no hydrogen 2.562 N/A LEU 96.A N VAL 122.A O no hydrogen 2.744 N/A ARG 97.A N TYR 87.A O no hydrogen 2.748 N/A VAL 98.A N LEU 120.A O no hydrogen 2.876 N/A VAL 99.A N VAL 85.A O no hydrogen 3.050 N/A GLU 100.A N ARG 117.A O no hydrogen 2.828 N/A TYR 101.A N LEU 83.A O no hydrogen 2.986 N/A THR 102.A N THR 115.A OG1 no hydrogen 2.756 N/A VAL 103.A N GLY 81.A O no hydrogen 3.179 N/A SER 104.A N GLN 110.A O no hydrogen 2.902 N/A LYS 106.A N SER 104.A OG no hydrogen 2.981 N/A ASN 107.A N SER 104.A OG no hydrogen 3.075 N/A HIS 109.A N ASN 107.A OD1 no hydrogen 2.809 N/A GLN 110.A N ASN 107.A O no hydrogen 3.394 N/A VAL 111.A N TYR 51.A O no hydrogen 3.031 N/A ASP 112.A N THR 102.A O no hydrogen 3.061 N/A ARG 114.A N ASP 112.A OD2 no hydrogen 2.857 N/A ARG 114.A NE ASP 112.A OD1 no hydrogen 3.255 N/A ARG 114.A NE ASP 112.A OD2 no hydrogen 3.055 N/A ARG 114.A NH1 ASP 112.A OD1 no hydrogen 2.953 N/A THR 115.A N ASP 112.A O no hydrogen 2.974 N/A THR 115.A OG1 THR 102.A O no hydrogen 3.236 N/A THR 115.A OG1 ASP 112.A O no hydrogen 2.584 N/A ALA 116.A N LEU 113.A O no hydrogen 3.438 N/A ARG 117.A N GLU 100.A O no hydrogen 2.912 N/A ARG 117.A NE GLU 100.A OE2 no hydrogen 3.497 N/A ARG 117.A NH1 PRO 182.A O no hydrogen 3.378 N/A ARG 117.A NH2 GLU 100.A OE2 no hydrogen 3.100 N/A PHE 119.A N VAL 98.A O no hydrogen 2.715 N/A LEU 120.A N VAL 98.A O no hydrogen 3.165 N/A VAL 122.A N LEU 96.A O no hydrogen 2.780 N/A GLU 124.A N HIS 94.A O no hydrogen 3.143 N/A HIS 129.A N GLU 65.A OE1 no hydrogen 3.164 N/A HIS 129.A ND1 ASP 148.A OD1 no hydrogen 2.886 N/A LEU 130.A N GLU 65.A OE2 no hydrogen 3.302 N/A GLY 132.A N ILE 145.A O no hydrogen 2.652 N/A GLN 133.A N ILE 145.A O no hydrogen 3.234 N/A GLN 133.A NE2 CYS 212.A O no hydrogen 3.424 N/A LEU 134.A N SER 70.A OG no hydrogen 3.131 N/A LEU 135.A N TYR 143.A O no hydrogen 3.204 N/A GLY 137.A N PHE 141.A O no hydrogen 3.249 N/A GLY 140.A N GLY 137.A O no hydrogen 2.697 N/A PHE 141.A N ASP 139.A OD2 no hydrogen 2.950 N/A LEU 142.A N LEU 172.A O no hydrogen 2.823 N/A TYR 143.A N LEU 135.A O no hydrogen 2.652 N/A TYR 143.A OH ASP 139.A OD1 no hydrogen 3.074 N/A ILE 144.A N LEU 170.A O no hydrogen 3.247 N/A ILE 145.A N GLN 133.A O no hydrogen 3.048 N/A LEU 146.A N SER 168.A O no hydrogen 3.192 N/A GLY 147.A N LEU 130.A O no hydrogen 3.058 N/A ASP 148.A N HIS 207.A O no hydrogen 2.842 N/A GLY 149.A N HIS 129.A O no hydrogen 2.829 N/A MET 150.A N ASP 148.A OD1 no hydrogen 3.079 N/A ILE 151.A N ASP 148.A O no hydrogen 3.100 N/A THR 152.A N ASP 155.A OD2 no hydrogen 3.294 N/A ASP 155.A N THR 152.A OG1 no hydrogen 3.167 N/A MET 156.A N THR 152.A O no hydrogen 3.276 N/A GLU 157.A N ASP 154.A O no hydrogen 3.011 N/A GLU 158.A N ASP 155.A O no hydrogen 3.346 N/A PHE 165.A N SER 163.A OG no hydrogen 2.943 N/A GLY 167.A N GLY 147.A O no hydrogen 2.718 N/A SER 168.A OG PHE 165.A O no hydrogen 2.676 N/A VAL 169.A N ALA 203.A O no hydrogen 2.611 N/A LEU 170.A N ILE 144.A O no hydrogen 3.179 N/A ARG 171.A N GLU 200.A O no hydrogen 2.887 N/A ARG 171.A NE TYR 143.A OH no hydrogen 2.778 N/A LEU 172.A N LEU 142.A O no hydrogen 3.053 N/A ASP 173.A N SER 184.A O no hydrogen 2.943 N/A THR 176.A N VAL 174.A O no hydrogen 3.114 N/A THR 176.A OG1 MET 178.A O no hydrogen 3.544 N/A TYR 183.A OH GLU 200.A OE1 no hydrogen 3.057 N/A SER 184.A N ASP 173.A O no hydrogen 3.036 N/A SER 184.A OG ASP 173.A O no hydrogen 3.416 N/A ASN 189.A N PRO 186.A O no hydrogen 3.077 N/A ASN 189.A ND2 ARG 171.A O no hydrogen 3.213 N/A ASN 189.A ND2 PRO 199.A O no hydrogen 2.991 N/A HIS 191.A NE2 GLU 251.A OE2 no hydrogen 3.273 N/A ASN 196.A N SER 194.A OG no hydrogen 3.327 N/A GLN 197.A N SER 194.A OG no hydrogen 3.344 N/A GLU 200.A N GLU 200.A OE2 no hydrogen 2.682 N/A VAL 201.A N PRO 198.A O no hydrogen 3.161 N/A PHE 202.A N VAL 169.A O no hydrogen 2.792 N/A ALA 203.A N VAL 169.A O no hydrogen 3.291 N/A GLY 205.A N GLY 167.A O no hydrogen 3.134 N/A LEU 206.A N GLY 167.A O no hydrogen 3.053 N/A ASP 208.A N ASP 231.A OD1 no hydrogen 2.821 N/A GLY 210.A N SER 230.A O no hydrogen 3.254 N/A CYS 212.A N GLN 133.A OE1 no hydrogen 3.061 N/A CYS 212.A SG GLN 133.A OE1 no hydrogen 3.805 N/A ALA 213.A N LEU 228.A O no hydrogen 2.818 N/A ASP 215.A N THR 226.A O no hydrogen 2.968 N/A ARG 216.A NH2 PHE 136.A O no hydrogen 2.710 N/A HIS 217.A N ASP 215.A OD2 no hydrogen 2.852 N/A THR 219.A OG1 ASP 220.A OD2 no hydrogen 3.079 N/A ASN 224.A N ILE 242.A O no hydrogen 2.816 N/A LEU 225.A N ILE 242.A O no hydrogen 3.182 N/A THR 226.A N ASP 215.A O no hydrogen 3.096 N/A ILE 227.A N LEU 240.A O no hydrogen 2.907 N/A LEU 228.A N ALA 213.A O no hydrogen 2.882 N/A CYS 229.A N ARG 238.A O no hydrogen 2.872 N/A ASP 231.A N SER 236.A O no hydrogen 2.867 N/A SER 236.A OG GLU 256.A OE1 no hydrogen 3.527 N/A ALA 237.A N PHE 257.A O no hydrogen 3.259 N/A ARG 238.A N CYS 229.A O no hydrogen 3.100 N/A ARG 238.A NH1 ASP 231.A OD2 no hydrogen 2.708 N/A ILE 239.A N LEU 255.A O no hydrogen 3.022 N/A LEU 240.A N ILE 227.A O no hydrogen 2.784 N/A ILE 242.A N LEU 225.A O no hydrogen 2.794 N/A ILE 243.A N TYR 248.A OH no hydrogen 3.351 N/A LYS 244.A N ASN 224.A OD1 no hydrogen 2.876 N/A TYR 248.A N SER 188.A O no hydrogen 2.679 N/A LEU 255.A N ILE 239.A O no hydrogen 3.086 N/A PHE 257.A N ALA 237.A O no hydrogen 3.141 N/A LYS 258.A NZ PHE 260.A O no hydrogen 3.459 N/A VAL 266.A N GLY 286.A O no hydrogen 2.935 N/A GLY 268.A N ARG 211.A O no hydrogen 2.975 N/A PHE 269.A N VAL 284.A O no hydrogen 2.908 N/A TYR 271.A N SER 282.A O no hydrogen 3.298 N/A TYR 271.A OH GLU 323.A OE1 no hydrogen 2.708 N/A ARG 272.A NE TYR 271.A O no hydrogen 3.158 N/A CYS 274.A N GLU 323.A OE2 no hydrogen 3.121 N/A GLN 275.A N GLU 323.A OE2 no hydrogen 2.924 N/A GLN 275.A NE2 PRO 343.A O no hydrogen 2.575 N/A SER 276.A N TYR 271.A OH no hydrogen 2.950 N/A SER 276.A OG ASP 339.A OD2 no hydrogen 3.029 N/A ARG 278.A NE ASP 339.A OD1 no hydrogen 3.180 N/A ARG 278.A NE ASP 339.A OD2 no hydrogen 3.058 N/A ARG 278.A NH1 ASN 1.A O no hydrogen 2.974 N/A ARG 278.A NH2 CYS 2.A O no hydrogen 3.120 N/A ARG 278.A NH2 ASP 339.A OD1 no hydrogen 2.803 N/A LEU 279.A N SER 276.A OG no hydrogen 3.142 N/A GLY 281.A N TYR 271.A O no hydrogen 3.123 N/A SER 282.A N LEU 279.A O no hydrogen 3.044 N/A TYR 283.A N LEU 295.A O no hydrogen 3.182 N/A VAL 284.A N PHE 269.A O no hydrogen 2.762 N/A PHE 285.A N LEU 293.A O no hydrogen 3.036 N/A GLY 286.A N GLY 267.A O no hydrogen 3.258 N/A ASP 287.A N ASN 291.A O no hydrogen 3.070 N/A ASN 289.A N ASP 287.A OD1 no hydrogen 3.119 N/A GLY 290.A N ASP 287.A O no hydrogen 3.396 N/A ASN 291.A N ASP 287.A OD1 no hydrogen 2.811 N/A LEU 293.A N PHE 285.A O no hydrogen 2.881 N/A THR 294.A N LYS 307.A O no hydrogen 2.707 N/A THR 294.A OG1 TYR 283.A O no hydrogen 2.918 N/A LEU 295.A N TYR 283.A O no hydrogen 2.893 N/A GLN 296.A N GLN 305.A O no hydrogen 3.284 N/A GLN 297.A NE2 LYS 302.A O no hydrogen 3.299 N/A SER 298.A OG VAL 300.A O no hydrogen 2.743 N/A SER 298.A OG THR 301.A OG1 no hydrogen 2.909 N/A SER 298.A OG GLN 303.A O no hydrogen 3.392 N/A THR 301.A OG1 SER 298.A OG no hydrogen 2.909 N/A THR 301.A OG1 VAL 300.A O no hydrogen 2.495 N/A LYS 302.A NZ ASP 220.A OD1 no hydrogen 2.829 N/A GLN 303.A N SER 298.A OG no hydrogen 3.114 N/A GLN 303.A N THR 301.A OG1 no hydrogen 3.273 N/A GLN 303.A NE2 THR 301.A O no hydrogen 3.507 N/A GLN 305.A N GLN 296.A O no hydrogen 2.936 N/A LYS 307.A N THR 294.A O no hydrogen 3.077 N/A LYS 307.A NZ GLN 305.A O no hydrogen 3.296 N/A LEU 309.A N PHE 292.A O no hydrogen 3.244 N/A ILE 313.A N ARG 288.A O no hydrogen 3.021 N/A LEU 314.A N LEU 327.A O no hydrogen 2.570 N/A GLY 315.A N LEU 327.A O no hydrogen 3.277 N/A GLY 317.A N TYR 325.A O no hydrogen 3.024 N/A ASP 319.A N GLU 323.A O no hydrogen 3.100 N/A GLY 322.A N ASP 319.A O no hydrogen 2.956 N/A GLY 322.A N ASP 319.A OD2 no hydrogen 2.797 N/A GLU 323.A N ASP 319.A OD2 no hydrogen 2.834 N/A TYR 325.A N GLY 317.A O no hydrogen 2.789 N/A TYR 325.A OH ASP 319.A OD1 no hydrogen 2.797 N/A ILE 326.A N TYR 335.A O no hydrogen 3.116 N/A LEU 327.A N GLY 315.A O no hydrogen 2.757 N/A SER 328.A N LYS 333.A O no hydrogen 3.099 N/A LEU 334.A N VAL 9.A O no hydrogen 2.882 N/A TYR 335.A N ILE 326.A O no hydrogen 2.742 N/A LYS 336.A N GLN 6.A O no hydrogen 2.931 N/A ILE 337.A N VAL 324.A O no hydrogen 3.318 N/A VAL 338.A N CYS 4.A O no hydrogen 2.921 N/A ASP 339.A N GLN 275.A OE1 no hydrogen 2.862 N/A LYS 341.A N ASP 339.A OD1 no hydrogen 3.182 N/A ARG 342.A N ASP 339.A O no hydrogen 3.030 N/A ARG 342.A NE GLN 275.A O no hydrogen 3.037 N/A ARG 342.A NH1 GLU 348.A OE1 no hydrogen 3.328 N/A ARG 342.A NH2 GLN 275.A O no hydrogen 3.272 N/A GLU 347.A N GLU 347.A OE2 no hydrogen 2.735 N/A CYS 349.A N PRO 346.A O no hydrogen 2.965 N/A GLN 354.A N GLY 24.A O no hydrogen 3.186 N/A SER 361.A OG LYS 79.A O no hydrogen 3.564 N/A SER 361.A OG SER 364.A OG no hydrogen 2.665 N/A CYS 363.A SG GLY 376.A O no hydrogen 3.186 N/A SER 364.A N SER 361.A OG no hydrogen 3.367 N/A SER 364.A OG SER 361.A O no hydrogen 2.914 N/A SER 364.A OG SER 361.A OG no hydrogen 2.665 N/A ARG 365.A N SER 361.A O no hydrogen 3.126 N/A LEU 366.A N GLU 362.A O no hydrogen 3.203 N/A ASN 369.A ND2 CYS 389.A O no hydrogen 3.059 N/A TYR 371.A N CYS 379.A O no hydrogen 3.105 N/A TYR 371.A OH CYS 179.A O no hydrogen 3.359 N/A THR 373.A N LYS 377.A O no hydrogen 2.835 N/A THR 373.A OG1 THR 176.A O no hydrogen 3.180 N/A THR 373.A OG1 THR 375.A OG1 no hydrogen 2.774 N/A THR 373.A OG1 LYS 377.A O no hydrogen 3.380 N/A THR 375.A OG1 THR 176.A O no hydrogen 2.961 N/A THR 375.A OG1 ASP 177.A OD1 no hydrogen 2.629 N/A THR 375.A OG1 THR 373.A OG1 no hydrogen 2.774 N/A GLY 376.A N THR 373.A O no hydrogen 2.701 N/A LYS 377.A N THR 373.A OG1 no hydrogen 3.032 N/A LYS 377.A NZ ASP 177.A O no hydrogen 2.653 N/A CYS 378.A SG ARG 368.A O no hydrogen 3.978 N/A CYS 379.A N TYR 371.A O no hydrogen 2.825 N/A CYS 379.A SG MET 178.A O no hydrogen 3.776 N/A CYS 379.A SG TYR 371.A OH no hydrogen 3.632 N/A CYS 380.A SG CYS 378.A O no hydrogen 3.990 N/A CYS 380.A SG GLY 386.A O no hydrogen 3.635 N/A SER 381.A N ASN 369.A O no hydrogen 2.822 N/A SER 381.A OG ASN 369.A O no hydrogen 3.113 N/A TRP 384.A N SER 381.A O no hydrogen 3.210 N/A GLU 385.A N THR 391.A O no hydrogen 3.031 N/A CYS 389.A N GLY 386.A O no hydrogen 3.454 N/A CYS 389.A SG CYS 378.A O no hydrogen 3.549 N/A ARG 390.A NE PHE 388.A O no hydrogen 3.221 N/A LYS 393.A N GLY 383.A O no hydrogen 3.171 N/A LYS 393.A NZ TRP 384.A O no hydrogen 3.458 N/A ARG 399.A N GLN 420.A O no hydrogen 3.349 N/A VAL 403.A N LEU 411.A O no hydrogen 3.362 N/A CYS 404.A SG ARG 406.A O no hydrogen 3.546 N/A VAL 405.A N LYS 409.A O no hydrogen 3.388 N/A LYS 409.A N ARG 406.A O no hydrogen 3.051 N/A CYS 412.A SG GLY 418.A O no hydrogen 3.804 N/A TYR 416.A N LYS 413.A O no hydrogen 3.256 N/A CYS 421.A N GLY 418.A O no hydrogen 3.458 N/A