Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4buj_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N ARG 387.A O no hydrogen 2.851 N/A THR 7.A N TRP 385.A O no hydrogen 2.811 N/A ALA 8.A N TRP 385.A O no hydrogen 3.496 N/A ALA 10.A N ILE 383.A O no hydrogen 3.211 N/A ALA 13.A N ARG 381.A O no hydrogen 2.937 N/A HIS 14.A ND1 ASP 34.A OD1 no hydrogen 3.107 N/A HIS 14.A ND1 ASP 34.A OD2 no hydrogen 3.110 N/A ASP 15.A N ASP 34.A OD2 no hydrogen 3.221 N/A VAL 21.A N ASP 354.A OD2 no hydrogen 2.977 N/A SER 22.A N VAL 29.A O no hydrogen 2.858 N/A SER 22.A OG ASP 68.A OD1 no hydrogen 3.033 N/A CYS 24.A N PHE 27.A O no hydrogen 2.793 N/A CYS 24.A SG PHE 27.A O no hydrogen 3.625 N/A CYS 24.A SG GLN 71.A OE1 no hydrogen 3.092 N/A SER 26.A N GLN 71.A OE1 no hydrogen 3.067 N/A THR 28.A N TRP 40.A O no hydrogen 2.827 N/A THR 28.A OG1 ASN 42.A OD1 no hydrogen 2.570 N/A VAL 29.A N SER 22.A O no hydrogen 2.676 N/A SER 30.A N LYS 38.A O no hydrogen 2.838 N/A SER 30.A OG HIS 14.A NE2 no hydrogen 3.424 N/A CYS 31.A N SER 20.A O no hydrogen 3.430 N/A CYS 31.A SG SER 20.A O no hydrogen 3.981 N/A CYS 31.A SG LEU 64.A O no hydrogen 3.803 N/A SER 32.A OG HIS 14.A ND1 no hydrogen 2.290 N/A SER 32.A OG ASP 34.A OD1 no hydrogen 2.368 N/A GLY 33.A N ASP 17.A O no hydrogen 2.998 N/A GLY 35.A N SER 32.A O no hydrogen 3.085 N/A TYR 36.A N ASP 34.A OD1 no hydrogen 3.107 N/A LEU 37.A N HIS 57.A O no hydrogen 2.734 N/A LYS 38.A N SER 30.A O no hydrogen 2.785 N/A LYS 38.A NZ ALA 13.A O no hydrogen 2.989 N/A VAL 39.A N TYR 55.A O no hydrogen 2.723 N/A TRP 40.A N THR 28.A O no hydrogen 2.760 N/A TRP 40.A NE1 SER 30.A OG no hydrogen 2.904 N/A ASP 41.A N LYS 53.A O no hydrogen 3.001 N/A ASN 42.A N SER 26.A O no hydrogen 3.302 N/A LYS 43.A NZ ASN 25.A O no hydrogen 2.451 N/A LYS 43.A NZ GLY 361.A O no hydrogen 3.500 N/A LYS 43.A NZ TRP 362.A O no hydrogen 2.630 N/A LYS 51.A N ASN 49.A OD1 no hydrogen 3.175 N/A LYS 51.A NZ GLY 11.A O no hydrogen 2.899 N/A LYS 51.A NZ LYS 12.A O no hydrogen 3.166 N/A LYS 51.A NZ ASP 336.A OD2 no hydrogen 2.980 N/A ASP 52.A N ASN 49.A O no hydrogen 2.888 N/A LYS 53.A N PRO 50.A O no hydrogen 3.081 N/A LYS 53.A NZ GLU 48.A OE1 no hydrogen 2.975 N/A LYS 53.A NZ GLU 48.A OE2 no hydrogen 2.873 N/A SER 54.A N LYS 51.A O no hydrogen 3.355 N/A SER 54.A OG LYS 51.A O no hydrogen 2.717 N/A TYR 55.A N VAL 39.A O no hydrogen 2.770 N/A HIS 57.A N LEU 37.A O no hydrogen 2.818 N/A HIS 60.A N GLY 35.A O no hydrogen 3.433 N/A HIS 60.A ND1 SER 62.A OG no hydrogen 2.834 N/A SER 62.A N HIS 60.A ND1 no hydrogen 3.343 N/A SER 62.A OG HIS 60.A ND1 no hydrogen 2.834 N/A SER 62.A OG GLY 63.A O no hydrogen 3.442 N/A LEU 64.A N SER 32.A O no hydrogen 2.797 N/A HIS 65.A N THR 86.A O no hydrogen 3.159 N/A HIS 65.A ND1 HIS 66.A ND1 no hydrogen 3.253 N/A ASP 68.A N ALA 84.A O no hydrogen 2.865 N/A LEU 70.A N LEU 82.A O no hydrogen 2.805 N/A GLN 71.A NE2 SER 26.A OG no hydrogen 2.852 N/A ALA 72.A N LEU 80.A O no hydrogen 2.818 N/A LEU 80.A N ALA 72.A O no hydrogen 2.813 N/A LEU 82.A N LEU 70.A O no hydrogen 2.818 N/A VAL 83.A N TYR 95.A O no hydrogen 2.811 N/A ALA 84.A N ASP 68.A O no hydrogen 2.823 N/A THR 85.A N LEU 93.A O no hydrogen 2.761 N/A THR 86.A N HIS 66.A O no hydrogen 2.907 N/A THR 86.A OG1 TRP 124.A O no hydrogen 2.780 N/A SER 87.A N ASP 91.A O no hydrogen 2.941 N/A SER 87.A OG SER 89.A OG no hydrogen 2.419 N/A SER 87.A OG ASP 91.A O no hydrogen 3.268 N/A PHE 88.A N GLY 63.A O no hydrogen 2.761 N/A SER 89.A N SER 62.A OG no hydrogen 3.138 N/A SER 89.A OG SER 87.A OG no hydrogen 2.419 N/A SER 89.A OG ASP 91.A OD2 no hydrogen 2.869 N/A GLY 90.A N SER 87.A O no hydrogen 2.697 N/A ASP 91.A N SER 89.A OG no hydrogen 3.338 N/A LEU 93.A N THR 85.A O no hydrogen 2.721 N/A TYR 95.A N VAL 83.A O no hydrogen 2.744 N/A ARG 96.A N GLU 109.A O no hydrogen 2.783 N/A ILE 97.A N CYS 81.A O no hydrogen 3.124 N/A THR 98.A N ILE 107.A O no hydrogen 2.890 N/A ARG 99.A NH1 ASP 41.A OD1 no hydrogen 3.152 N/A ARG 99.A NH1 LYS 104.A O no hydrogen 3.484 N/A ARG 99.A NH2 ASP 41.A OD1 no hydrogen 3.233 N/A GLU 100.A N LYS 105.A O no hydrogen 2.774 N/A ILE 107.A N THR 98.A O no hydrogen 2.685 N/A GLU 109.A N ARG 96.A O no hydrogen 2.755 N/A LEU 111.A N PHE 94.A O no hydrogen 2.775 N/A MET 118.A N ASP 115.A O no hydrogen 2.905 N/A MET 118.A N ASP 115.A OD1 no hydrogen 2.749 N/A LYS 119.A N ASP 115.A O no hydrogen 2.917 N/A LYS 119.A NZ ASP 112.A OD1 no hydrogen 3.011 N/A LYS 119.A NZ ASP 112.A OD2 no hydrogen 3.165 N/A HIS 121.A N MET 118.A O no hydrogen 2.923 N/A PHE 123.A N GLY 90.A O no hydrogen 2.857 N/A TRP 124.A N THR 143.A O no hydrogen 2.608 N/A ALA 125.A N THR 143.A OG1 no hydrogen 3.058 N/A LYS 127.A N VAL 141.A O no hydrogen 2.783 N/A LYS 127.A NZ TRP 128.A O no hydrogen 3.134 N/A TRP 128.A N ASP 68.A OD2 no hydrogen 2.851 N/A GLY 129.A N ARG 139.A O no hydrogen 2.610 N/A SER 131.A OG LEU 136.A O no hydrogen 3.123 N/A ARG 134.A NE SER 190.A O no hydrogen 3.054 N/A ARG 134.A NH2 SER 190.A O no hydrogen 3.416 N/A ARG 139.A N GLY 129.A O no hydrogen 2.873 N/A LEU 140.A N TRP 152.A O no hydrogen 2.792 N/A VAL 141.A N LYS 127.A O no hydrogen 2.862 N/A ALA 142.A N TYR 150.A O no hydrogen 2.847 N/A THR 143.A N ALA 125.A O no hydrogen 3.048 N/A THR 143.A OG1 ALA 184.A O no hydrogen 3.322 N/A ASP 144.A N THR 148.A O no hydrogen 3.191 N/A VAL 145.A N SER 122.A O no hydrogen 3.310 N/A GLY 147.A N ASP 144.A O no hydrogen 3.032 N/A THR 148.A N ASP 144.A OD1 no hydrogen 2.695 N/A THR 149.A N VAL 174.A O no hydrogen 2.871 N/A THR 149.A OG1 THR 197.A OG1 no hydrogen 3.024 N/A TYR 150.A N ALA 142.A O no hydrogen 2.750 N/A ILE 151.A N GLY 172.A O no hydrogen 2.780 N/A TRP 152.A N LEU 140.A O no hydrogen 2.820 N/A LYS 153.A N GLU 169.A O no hydrogen 2.649 N/A PHE 154.A N HIS 138.A O no hydrogen 2.590 N/A HIS 155.A N THR 167.A O no hydrogen 2.782 N/A SER 165.A N PRO 156.A O no hydrogen 3.323 N/A SER 165.A OG SER 165.A O no hydrogen 2.606 N/A THR 167.A N HIS 155.A O no hydrogen 2.832 N/A THR 167.A OG1 HIS 155.A O no hydrogen 3.310 N/A GLU 169.A N LYS 153.A O no hydrogen 2.665 N/A GLY 172.A N ILE 151.A O no hydrogen 2.932 N/A VAL 174.A N THR 149.A O no hydrogen 2.758 N/A SER 176.A N GLY 147.A O no hydrogen 3.156 N/A PHE 183.A N ASN 200.A OD1 no hydrogen 3.123 N/A THR 185.A N GLY 198.A O no hydrogen 2.736 N/A THR 185.A OG1 GLY 198.A O no hydrogen 2.757 N/A THR 185.A OG1 ILE 231.A O no hydrogen 2.605 N/A SER 186.A N GLY 198.A O no hydrogen 3.239 N/A ASP 188.A N ALA 196.A O no hydrogen 3.073 N/A SER 190.A N LEU 194.A O no hydrogen 2.722 N/A GLY 193.A N SER 190.A O no hydrogen 3.441 N/A LEU 194.A N SER 190.A OG no hydrogen 2.990 N/A ILE 195.A N SER 207.A O no hydrogen 2.761 N/A ALA 196.A N ASP 188.A O no hydrogen 2.828 N/A THR 197.A N GLN 205.A O no hydrogen 2.843 N/A THR 197.A OG1 THR 149.A OG1 no hydrogen 3.024 N/A GLY 198.A N SER 186.A O no hydrogen 2.913 N/A PHE 199.A N THR 203.A O no hydrogen 2.958 N/A ASN 200.A N PHE 183.A O no hydrogen 2.997 N/A THR 203.A N ASN 201.A OD1 no hydrogen 3.298 N/A VAL 204.A N PHE 218.A O no hydrogen 2.779 N/A GLN 205.A N THR 197.A O no hydrogen 2.859 N/A ILE 206.A N TYR 216.A O no hydrogen 2.740 N/A SER 207.A N ILE 195.A O no hydrogen 2.862 N/A SER 207.A OG ILE 195.A O no hydrogen 3.407 N/A GLU 208.A N ARG 213.A O no hydrogen 2.751 N/A LEU 209.A N GLY 193.A O no hydrogen 2.692 N/A LEU 215.A N ILE 206.A O no hydrogen 2.714 N/A TYR 216.A N ILE 206.A O no hydrogen 2.918 N/A TYR 216.A OH THR 260.A O no hydrogen 3.097 N/A PHE 218.A N VAL 204.A O no hydrogen 2.772 N/A SER 220.A OG GLY 202.A O no hydrogen 3.107 N/A GLN 221.A N GLN 221.A OE1 no hydrogen 2.643 N/A SER 228.A N ILE 225.A O no hydrogen 3.193 N/A ILE 231.A N PHE 199.A O no hydrogen 3.387 N/A ARG 232.A N ALA 246.A O no hydrogen 2.715 N/A ARG 232.A NE ASP 248.A OD1 no hydrogen 3.304 N/A ARG 232.A NE ASP 248.A OD2 no hydrogen 2.696 N/A ARG 232.A NH2 ASP 248.A OD2 no hydrogen 2.662 N/A SER 233.A N ALA 246.A O no hydrogen 3.249 N/A LYS 235.A N ALA 244.A O no hydrogen 3.102 N/A LYS 235.A NZ LEU 292.A O no hydrogen 3.289 N/A PHE 236.A N ASP 188.A OD2 no hydrogen 3.021 N/A SER 237.A N LEU 242.A O no hydrogen 2.869 N/A GLY 240.A N SER 237.A OG no hydrogen 3.166 N/A LEU 243.A N TYR 258.A O no hydrogen 2.670 N/A ALA 244.A N LYS 235.A O no hydrogen 2.939 N/A ILE 245.A N THR 256.A O no hydrogen 2.794 N/A ALA 246.A N SER 233.A O no hydrogen 2.798 N/A HIS 247.A N CYS 254.A O no hydrogen 2.825 N/A HIS 247.A NE2 THR 256.A OG1 no hydrogen 3.163 N/A ASP 248.A N SER 230.A O no hydrogen 2.737 N/A SER 249.A N PHE 252.A O no hydrogen 2.828 N/A PHE 252.A N SER 249.A O no hydrogen 2.673 N/A GLY 253.A N HIS 285.A O no hydrogen 3.110 N/A CYS 254.A N HIS 247.A O no hydrogen 2.765 N/A THR 256.A N ILE 245.A O no hydrogen 2.824 N/A THR 256.A OG1 HIS 247.A NE2 no hydrogen 3.163 N/A LEU 257.A N GLY 267.A O no hydrogen 2.796 N/A TYR 258.A N LEU 243.A O no hydrogen 2.799 N/A GLU 259.A N GLU 264.A O no hydrogen 3.017 N/A THR 260.A N SER 241.A O no hydrogen 2.863 N/A THR 260.A OG1 SER 241.A O no hydrogen 2.535 N/A GLU 261.A N GLU 259.A OE1 no hydrogen 2.851 N/A PHE 262.A N GLU 259.A OE2 no hydrogen 3.322 N/A ILE 266.A N LEU 257.A O no hydrogen 2.885 N/A LEU 269.A N ILE 255.A O no hydrogen 2.842 N/A VAL 271.A N PHE 283.A O no hydrogen 2.843 N/A THR 273.A N GLY 281.A O no hydrogen 2.806 N/A SER 279.A N SER 276.A O no hydrogen 3.336 N/A GLY 281.A N THR 273.A O no hydrogen 2.890 N/A ALA 284.A N GLY 253.A O no hydrogen 3.050 N/A HIS 285.A N GLY 253.A O no hydrogen 3.243 N/A HIS 285.A ND1 ASP 307.A OD1 no hydrogen 3.151 N/A HIS 285.A NE2 SER 303.A OG no hydrogen 2.621 N/A SER 286.A OG ASP 307.A OD2 no hydrogen 3.430 N/A TRP 288.A N SER 287.A OG no hydrogen 2.773 N/A MET 290.A N ALA 304.A O no hydrogen 2.733 N/A SER 291.A N ALA 304.A O no hydrogen 3.209 N/A SER 291.A OG LEU 292.A O no hydrogen 3.496 N/A SER 291.A OG ASP 354.A OD1 no hydrogen 2.612 N/A SER 293.A N CYS 302.A O no hydrogen 2.903 N/A ASN 295.A N THR 300.A O no hydrogen 3.225 N/A ASP 296.A N GLU 372.A OE2 no hydrogen 2.843 N/A GLY 298.A N ASN 295.A O no hydrogen 2.961 N/A GLY 298.A N ASN 295.A OD1 no hydrogen 2.857 N/A THR 300.A N ASN 295.A OD1 no hydrogen 2.972 N/A LEU 301.A N TRP 313.A O no hydrogen 2.832 N/A CYS 302.A N SER 293.A O no hydrogen 2.785 N/A SER 303.A N ARG 311.A O no hydrogen 2.768 N/A SER 303.A OG HIS 285.A NE2 no hydrogen 2.621 N/A SER 303.A OG ARG 311.A O no hydrogen 3.391 N/A ALA 304.A N SER 291.A O no hydrogen 2.865 N/A GLY 305.A N LYS 309.A O no hydrogen 3.116 N/A TRP 306.A N TRP 288.A O no hydrogen 2.683 N/A GLY 308.A N GLY 305.A O no hydrogen 3.360 N/A LYS 309.A N ASP 307.A OD1 no hydrogen 3.192 N/A LEU 310.A N LEU 324.A O no hydrogen 2.820 N/A ARG 311.A N SER 303.A O no hydrogen 2.811 N/A ARG 311.A NH1 ALA 284.A O no hydrogen 2.511 N/A PHE 312.A N THR 322.A O no hydrogen 2.753 N/A TRP 313.A N LEU 301.A O no hydrogen 2.793 N/A TRP 313.A NE1 SER 303.A OG no hydrogen 3.206 N/A ASP 314.A N GLU 319.A O no hydrogen 2.927 N/A VAL 315.A N GLU 299.A O no hydrogen 2.864 N/A THR 317.A N ASP 314.A OD1 no hydrogen 2.552 N/A THR 317.A OG1 ASP 314.A OD1 no hydrogen 2.715 N/A LYS 318.A N ASP 314.A O no hydrogen 2.778 N/A LYS 318.A NZ ILE 266.A O no hydrogen 3.142 N/A GLU 319.A N THR 317.A OG1 no hydrogen 3.430 N/A ILE 321.A N PHE 312.A O no hydrogen 2.895 N/A THR 322.A N PHE 312.A O no hydrogen 2.952 N/A LEU 324.A N LEU 310.A O no hydrogen 2.756 N/A MET 326.A N GLY 308.A O no hydrogen 2.877 N/A HIS 327.A N ASP 330.A OD2 no hydrogen 2.473 N/A CYS 328.A N ALA 348.A O no hydrogen 3.285 N/A ASP 330.A N HIS 327.A O no hydrogen 3.340 N/A ASP 336.A N ILE 333.A O no hydrogen 3.158 N/A ILE 337.A N GLU 334.A O no hydrogen 2.977 N/A ASP 341.A N ASP 345.A O no hydrogen 2.962 N/A HIS 343.A N ASP 341.A OD1 no hydrogen 3.247 N/A GLY 344.A N ASP 341.A O no hydrogen 2.935 N/A ASP 345.A N ASP 341.A OD1 no hydrogen 2.599 N/A LEU 347.A N ALA 339.A O no hydrogen 2.794 N/A ALA 348.A N SER 346.A OG no hydrogen 3.342 N/A VAL 352.A N GLY 305.A O no hydrogen 2.994 N/A ASP 354.A N VAL 377.A O no hydrogen 2.984 N/A VAL 355.A N ASP 354.A OD1 no hydrogen 2.817 N/A LYS 356.A N CYS 375.A O no hydrogen 2.665 N/A PHE 357.A N SER 293.A OG no hydrogen 3.012 N/A LEU 358.A N SER 373.A O no hydrogen 2.759 N/A TRP 362.A N LYS 359.A O no hydrogen 3.203 N/A GLU 372.A N ASN 371.A OD1 no hydrogen 2.425 N/A SER 373.A N LEU 358.A O no hydrogen 2.810 N/A SER 373.A OG PHE 386.A O no hydrogen 2.379 N/A LEU 374.A N PHE 386.A O no hydrogen 2.830 N/A CYS 375.A N LYS 356.A O no hydrogen 2.789 N/A CYS 375.A SG ARG 384.A O no hydrogen 3.600 N/A CYS 376.A N ARG 384.A O no hydrogen 2.858 N/A VAL 377.A N ASP 354.A O no hydrogen 2.784 N/A CYS 378.A N SER 382.A O no hydrogen 2.828 N/A LEU 379.A N GLY 351.A O no hydrogen 2.888 N/A SER 382.A N CYS 378.A O no hydrogen 3.018 N/A ILE 383.A N ALA 10.A O no hydrogen 3.145 N/A ARG 384.A N CYS 376.A O no hydrogen 2.799 N/A ARG 384.A NH1 HIS 327.A O no hydrogen 3.421 N/A ARG 384.A NH2 HIS 327.A O no hydrogen 3.181 N/A ARG 384.A NH2 ASP 380.A OD1 no hydrogen 3.280 N/A ARG 384.A NH2 ASP 380.A OD2 no hydrogen 2.876 N/A TRP 385.A N ALA 8.A O no hydrogen 3.118 N/A PHE 386.A N LEU 374.A O no hydrogen 2.797 N/A ARG 387.A N ILE 5.A O no hydrogen 2.836 N/A GLU 388.A N GLU 372.A O no hydrogen 3.261 N/A ALA 389.A N VAL 3.A O no hydrogen 2.994 N/A