Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6kup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A NZ GLU 3.A OE2 no hydrogen 2.989 N/A LYS 6.A NZ MET 4.A O no hydrogen 3.051 N/A MET 13.A N PHE 10.A O no hydrogen 2.982 N/A ARG 14.A N PHE 10.A O no hydrogen 2.872 N/A GLU 16.A N MET 13.A O no hydrogen 3.082 N/A TYR 22.A N PRO 19.A O no hydrogen 3.336 N/A TYR 25.A N ASP 15.A OD1 no hydrogen 3.071 N/A LEU 28.A N ASN 24.A O no hydrogen 3.313 N/A ARG 29.A N TYR 25.A O no hydrogen 2.899 N/A THR 30.A N GLU 26.A O no hydrogen 2.892 N/A THR 30.A OG1 GLU 26.A O no hydrogen 3.025 N/A THR 30.A OG1 HIS 27.A O no hydrogen 2.915 N/A ARG 31.A N HIS 27.A O no hydrogen 2.956 N/A ARG 31.A NH2 HIS 27.A NE2 no hydrogen 3.433 N/A CYS 32.A N LEU 28.A O no hydrogen 2.926 N/A CYS 32.A SG LEU 28.A O no hydrogen 3.226 N/A GLU 33.A N ARG 29.A O no hydrogen 2.869 N/A THR 34.A N ARG 31.A O no hydrogen 3.246 N/A THR 34.A OG1 THR 30.A O no hydrogen 2.954 N/A GLN 39.A N ASN 38.A OD1 no hydrogen 2.798 N/A CYS 42.A SG GLN 39.A OE1 no hydrogen 3.841 N/A GLU 43.A N ALA 40.A O no hydrogen 3.198 N/A ALA 44.A N ALA 40.A O no hydrogen 3.262 N/A LYS 45.A N GLU 41.A O no hydrogen 2.907 N/A VAL 46.A N CYS 42.A O no hydrogen 2.893 N/A ALA 47.A N GLU 43.A O no hydrogen 2.910 N/A ASP 48.A N ALA 44.A O no hydrogen 2.936 N/A ASP 48.A N LYS 45.A O no hydrogen 2.968 N/A VAL 49.A N LYS 45.A O no hydrogen 2.912 N/A ALA 50.A N VAL 46.A O no hydrogen 2.921 N/A LEU 57.A N THR 468.A O no hydrogen 2.781 N/A LYS 64.A N GLU 62.A O no hydrogen 2.582 N/A ARG 66.A NH2 GLU 479.A OE2 no hydrogen 3.526 N/A LEU 68.A N ASN 496.A OD1 no hydrogen 2.948 N/A LYS 72.A NZ ILE 70.A O no hydrogen 3.316 N/A GLU 73.A N PRO 71.A O no hydrogen 3.016 N/A TYR 78.A N LYS 326.A O no hydrogen 3.270 N/A TYR 78.A OH PHE 82.A O no hydrogen 2.980 N/A MET 84.A N TYR 78.A OH no hydrogen 3.076 N/A PHE 90.A N LEU 292.A O no hydrogen 3.408 N/A LYS 92.A NZ PRO 93.A O no hydrogen 3.480 N/A LYS 92.A NZ ASP 290.A OD2 no hydrogen 3.437 N/A HIS 94.A N SER 288.A O no hydrogen 3.251 N/A ARG 98.A NE ASP 107.A OD2 no hydrogen 3.442 N/A ALA 99.A N GLN 103.A OE1 no hydrogen 2.833 N/A GLN 100.A N GLN 103.A OE1 no hydrogen 2.964 N/A ILE 104.A N GLN 100.A O no hydrogen 2.904 N/A LEU 105.A N PRO 101.A O no hydrogen 2.873 N/A TYR 106.A N GLN 102.A O no hydrogen 2.954 N/A ASP 107.A N GLN 103.A O no hydrogen 2.902 N/A PHE 108.A N ILE 104.A O no hydrogen 2.921 N/A GLU 110.A N TYR 106.A O no hydrogen 2.983 N/A ALA 111.A N ASP 107.A O no hydrogen 2.918 N/A ALA 112.A N PHE 108.A O no hydrogen 3.060 N/A MET 117.A N MET 114.A O no hydrogen 3.245 N/A THR 119.A OG1 HIS 133.A ND1 no hydrogen 3.079 N/A SER 120.A OG LYS 122.A O no hydrogen 2.908 N/A ILE 124.A N VAL 332.A O no hydrogen 3.395 N/A HIS 133.A N GLY 129.A O no hydrogen 3.076 N/A HIS 133.A ND1 THR 119.A OG1 no hydrogen 3.079 N/A SER 134.A N LEU 130.A O no hydrogen 2.962 N/A SER 134.A OG LEU 130.A O no hydrogen 3.424 N/A SER 134.A OG MET 131.A O no hydrogen 3.382 N/A LEU 135.A N MET 131.A O no hydrogen 2.920 N/A TRP 136.A N TYR 132.A O no hydrogen 2.917 N/A GLY 137.A N HIS 133.A O no hydrogen 2.958 N/A GLN 138.A N SER 134.A O no hydrogen 2.927 N/A GLN 138.A NE2 GLU 151.A O no hydrogen 2.959 N/A THR 139.A N LEU 135.A O no hydrogen 2.898 N/A LYS 140.A N TRP 136.A O no hydrogen 2.912 N/A LYS 140.A NZ MET 117.A O no hydrogen 2.666 N/A ARG 141.A N GLY 137.A O no hydrogen 2.973 N/A ALA 142.A N GLN 138.A O no hydrogen 2.921 N/A ILE 143.A N THR 139.A O no hydrogen 2.935 N/A LYS 144.A N LYS 140.A O no hydrogen 2.956 N/A ASP 145.A N ARG 141.A O no hydrogen 2.958 N/A LYS 146.A N ILE 143.A O no hydrogen 3.088 N/A LYS 146.A NZ GLU 110.A OE2 no hydrogen 2.633 N/A ARG 147.A N ALA 142.A O no hydrogen 3.493 N/A ARG 147.A NH1 GLU 151.A OE2 no hydrogen 2.822 N/A ARG 147.A NH2 ARG 147.A O no hydrogen 3.348 N/A ASN 148.A ND2 GLN 102.A OE1 no hydrogen 2.829 N/A ASP 157.A N SER 153.A O no hydrogen 3.065 N/A PHE 158.A N GLN 155.A O no hydrogen 3.141 N/A LEU 159.A N GLN 155.A O no hydrogen 2.925 N/A CYS 160.A SG ARG 156.A O no hydrogen 3.200 N/A LYS 173.A N ASP 172.A OD1 no hydrogen 2.599 N/A SER 177.A OG GLU 181.A OE1 no hydrogen 2.745 N/A LYS 183.A NZ GLU 181.A O no hydrogen 3.070 N/A ARG 193.A N VAL 483.A O no hydrogen 3.257 N/A GLY 194.A N LYS 74.A O no hydrogen 2.626 N/A THR 197.A N GLU 75.A OE2 no hydrogen 2.729 N/A THR 197.A OG1 GLU 75.A OE2 no hydrogen 3.134 N/A GLU 201.A N TRP 198.A O no hydrogen 3.283 N/A GLU 202.A N TRP 198.A O no hydrogen 3.434 N/A TRP 203.A N PHE 199.A O no hydrogen 2.970 N/A LEU 204.A N ASN 200.A O no hydrogen 2.920 N/A TRP 205.A N GLU 201.A O no hydrogen 2.908 N/A ALA 206.A N GLU 202.A O no hydrogen 2.930 N/A MET 207.A N TRP 203.A O no hydrogen 3.197 N/A ARG 208.A N TRP 205.A O no hydrogen 3.274 N/A SER 210.A N GLY 245.A O no hydrogen 3.370 N/A GLY 213.A N THR 283.A O no hydrogen 3.023 N/A MET 218.A N ILE 216.A O no hydrogen 2.832 N/A GLU 220.A N GLU 220.A OE1 no hydrogen 2.721 N/A CYS 224.A SG ASP 230.A OD1 no hydrogen 3.326 N/A ALA 232.A N MET 228.A O no hydrogen 3.171 N/A LYS 233.A N GLU 229.A O no hydrogen 2.895 N/A LYS 233.A NZ PRO 222.A O no hydrogen 2.980 N/A LYS 234.A N ASP 230.A O no hydrogen 2.896 N/A MET 235.A N TYR 231.A O no hydrogen 2.933 N/A CYS 236.A N ALA 232.A O no hydrogen 2.925 N/A CYS 236.A SG ALA 232.A O no hydrogen 3.360 N/A GLU 237.A N LYS 233.A O no hydrogen 2.883 N/A GLU 238.A N LYS 234.A O no hydrogen 2.966 N/A LEU 239.A N MET 235.A O no hydrogen 2.927 N/A GLU 240.A N CYS 236.A O no hydrogen 2.902 N/A SER 241.A N GLU 237.A O no hydrogen 2.922 N/A SER 241.A OG GLU 237.A O no hydrogen 2.730 N/A SER 241.A OG GLU 238.A O no hydrogen 2.656 N/A LYS 242.A N LEU 239.A O no hydrogen 3.035 N/A ILE 243.A N LEU 239.A O no hydrogen 2.965 N/A GLN 244.A N GLU 240.A O no hydrogen 3.321 N/A GLN 244.A NE2 ILE 216.A O no hydrogen 3.253 N/A ASN 247.A ND2 TRP 205.A O no hydrogen 3.151 N/A CYS 248.A SG ILE 429.A O no hydrogen 3.810 N/A ARG 250.A NH2 MET 84.A O no hydrogen 2.876 N/A GLU 251.A N ASN 247.A O no hydrogen 2.943 N/A MET 252.A N CYS 248.A O no hydrogen 2.943 N/A SER 253.A N ALA 249.A O no hydrogen 2.941 N/A SER 253.A OG TRP 215.A O no hydrogen 2.724 N/A SER 253.A OG ALA 249.A O no hydrogen 3.332 N/A LYS 254.A N ARG 250.A O no hydrogen 2.926 N/A LYS 254.A NZ LEU 83.A O no hydrogen 2.874 N/A LEU 255.A N GLU 251.A O no hydrogen 2.942 N/A ILE 256.A N MET 252.A O no hydrogen 2.970 N/A HIS 257.A N SER 253.A O no hydrogen 2.979 N/A THR 258.A N LYS 254.A O no hydrogen 2.972 N/A THR 258.A OG1 LYS 254.A O no hydrogen 2.830 N/A ILE 259.A N LEU 255.A O no hydrogen 2.947 N/A GLY 260.A N ILE 256.A O no hydrogen 2.910 N/A SER 261.A N HIS 257.A O no hydrogen 2.968 N/A LEU 262.A N THR 258.A O no hydrogen 2.945 N/A HIS 263.A N ILE 259.A O no hydrogen 2.857 N/A THR 264.A N GLY 260.A O no hydrogen 2.973 N/A THR 264.A OG1 GLY 260.A O no hydrogen 3.346 N/A THR 264.A OG1 SER 261.A O no hydrogen 3.136 N/A GLU 265.A N SER 261.A O no hydrogen 2.960 N/A CYS 266.A N LEU 262.A O no hydrogen 2.877 N/A CYS 266.A SG LEU 262.A O no hydrogen 3.188 N/A CYS 266.A SG SER 301.A OG no hydrogen 3.646 N/A ARG 267.A N HIS 263.A O no hydrogen 2.983 N/A ARG 267.A NH1 ARG 267.A O no hydrogen 3.263 N/A ASN 268.A N THR 264.A O no hydrogen 2.904 N/A PHE 269.A N GLU 265.A O no hydrogen 3.304 N/A LYS 274.A NZ ASN 148.A O no hydrogen 3.135 N/A VAL 276.A N ALA 296.A O no hydrogen 2.922 N/A ILE 278.A N GLY 294.A O no hydrogen 2.861 N/A CYS 280.A SG ARG 250.A O no hydrogen 3.569 N/A CYS 280.A SG TYR 279.A O no hydrogen 3.279 N/A GLY 282.A N THR 289.A O no hydrogen 2.902 N/A LEU 284.A N GLU 287.A O no hydrogen 2.872 N/A GLU 287.A N LEU 284.A O no hydrogen 2.915 N/A THR 289.A N GLY 282.A O no hydrogen 2.872 N/A THR 289.A OG1 GLY 282.A O no hydrogen 2.780 N/A CYS 291.A N CYS 280.A O no hydrogen 3.254 N/A PHE 293.A N ILE 278.A O no hydrogen 2.444 N/A GLY 294.A N ILE 278.A O no hydrogen 2.985 N/A ILE 295.A N PHE 315.A O no hydrogen 2.944 N/A ALA 296.A N VAL 276.A O no hydrogen 2.851 N/A ILE 297.A N VAL 313.A O no hydrogen 2.881 N/A LYS 298.A NZ LYS 272.A O no hydrogen 2.812 N/A TYR 310.A OH ASN 361.A OD1 no hydrogen 3.276 N/A VAL 312.A N THR 354.A O no hydrogen 2.889 N/A VAL 313.A N ILE 297.A O no hydrogen 2.952 N/A THR 314.A N ARG 352.A O no hydrogen 2.850 N/A THR 314.A OG1 ARG 352.A O no hydrogen 2.997 N/A PHE 315.A N ILE 295.A O no hydrogen 2.861 N/A GLU 316.A N TYR 350.A O no hydrogen 2.933 N/A SER 318.A N PHE 348.A O no hydrogen 2.931 N/A SER 318.A OG ASP 86.A O no hydrogen 3.460 N/A SER 318.A OG TYR 350.A OH no hydrogen 3.328 N/A GLU 320.A N SER 318.A OG no hydrogen 3.261 N/A SER 325.A N ASN 323.A OD1 no hydrogen 3.177 N/A LYS 326.A NZ GLU 202.A OE2 no hydrogen 2.522 N/A GLU 328.A N LYS 326.A O no hydrogen 2.852 N/A THR 331.A N CYS 351.A O no hydrogen 3.051 N/A ALA 335.A N LEU 347.A O no hydrogen 2.613 N/A GLY 336.A N LEU 347.A O no hydrogen 2.907 N/A VAL 338.A N LYS 345.A O no hydrogen 2.864 N/A VAL 340.A N LYS 343.A O no hydrogen 2.898 N/A LEU 347.A N GLY 336.A O no hydrogen 2.895 N/A PHE 348.A N SER 318.A O no hydrogen 2.834 N/A TYR 350.A N GLU 316.A O no hydrogen 2.916 N/A ARG 352.A N THR 314.A O no hydrogen 2.931 N/A ARG 352.A NH2 HIS 80.A O no hydrogen 2.339 N/A ARG 352.A NH2 TYR 330.A OH no hydrogen 3.562 N/A THR 354.A N VAL 312.A O no hydrogen 2.890 N/A GLY 355.A N THR 354.A OG1 no hydrogen 2.706 N/A MET 356.A N TYR 310.A O no hydrogen 3.304 N/A SER 357.A OG ASP 306.A O no hydrogen 3.137 N/A LYS 358.A NZ LEU 303.A O no hydrogen 3.567 N/A LYS 358.A NZ LYS 305.A O no hydrogen 3.337 N/A LEU 359.A N ASP 306.A O no hydrogen 3.040 N/A SER 365.A N ASN 361.A O no hydrogen 2.493 N/A LYS 366.A N ASP 362.A O no hydrogen 3.362 N/A CYS 367.A N PHE 364.A O no hydrogen 3.332 N/A CYS 367.A SG PHE 364.A O no hydrogen 3.212 N/A ARG 369.A NE LYS 366.A O no hydrogen 3.113 N/A CYS 370.A SG CYS 367.A O no hydrogen 3.393 N/A GLU 376.A N ILE 372.A O no hydrogen 2.922 N/A THR 377.A N PRO 373.A O no hydrogen 2.917 N/A THR 377.A OG1 PRO 373.A O no hydrogen 2.590 N/A VAL 378.A N THR 374.A O no hydrogen 2.949 N/A GLU 379.A N MET 375.A O no hydrogen 2.904 N/A GLN 380.A N GLU 376.A O no hydrogen 2.900 N/A ILE 381.A N THR 377.A O no hydrogen 2.959 N/A VAL 382.A N VAL 378.A O no hydrogen 2.951 N/A LEU 383.A N GLU 379.A O no hydrogen 2.892 N/A LYS 384.A N GLN 380.A O no hydrogen 2.932 N/A GLU 385.A N ILE 381.A O no hydrogen 2.937 N/A CYS 386.A N VAL 382.A O no hydrogen 2.929 N/A CYS 386.A SG VAL 382.A O no hydrogen 3.326 N/A CYS 386.A SG LEU 383.A O no hydrogen 3.598 N/A ALA 387.A N LEU 383.A O no hydrogen 2.886 N/A LEU 388.A N LYS 384.A O no hydrogen 2.916 N/A LYS 389.A N GLU 385.A O no hydrogen 2.965 N/A GLU 390.A N CYS 386.A O no hydrogen 2.802 N/A ARG 393.A N GLU 391.A O no hydrogen 2.690 N/A LEU 398.A N VAL 394.A O no hydrogen 3.008 N/A ASN 400.A N GLU 396.A O no hydrogen 3.383 N/A ASN 400.A ND2 GLU 396.A O no hydrogen 3.545 N/A ALA 403.A N THR 419.A O no hydrogen 2.922 N/A ILE 405.A N VAL 417.A O no hydrogen 2.915 N/A HIS 407.A ND1 ASN 412.A OD1 no hydrogen 2.756 N/A GLY 410.A N ASN 409.A OD1 no hydrogen 2.618 N/A THR 414.A OG1 LEU 413.A O no hydrogen 2.646 N/A VAL 417.A N ILE 405.A O no hydrogen 2.892 N/A THR 419.A N ALA 403.A O no hydrogen 2.907 N/A THR 419.A OG1 ALA 403.A O no hydrogen 3.564 N/A THR 419.A OG1 LYS 420.A O no hydrogen 3.564 N/A LYS 420.A NZ GLU 399.A O no hydrogen 2.930 N/A LYS 422.A NZ GLU 399.A OE1 no hydrogen 3.189 N/A LEU 424.A N LYS 420.A O no hydrogen 3.190 N/A CYS 425.A N LEU 421.A O no hydrogen 2.991 N/A CYS 425.A SG LYS 422.A O no hydrogen 3.133 N/A ARG 426.A N LYS 422.A O no hydrogen 2.982 N/A MET 427.A N ASP 423.A O no hydrogen 3.020 N/A LEU 428.A N LEU 424.A O no hydrogen 2.879 N/A ILE 429.A N CYS 425.A O no hydrogen 2.996 N/A VAL 430.A N ARG 426.A O no hydrogen 3.019 N/A THR 431.A N MET 427.A O no hydrogen 2.935 N/A GLN 432.A N LEU 428.A O no hydrogen 2.958 N/A PHE 433.A N ILE 429.A O no hydrogen 2.977 N/A TYR 434.A N VAL 430.A O no hydrogen 2.915 N/A TYR 434.A OH GLU 202.A O no hydrogen 3.369 N/A TYR 435.A N THR 431.A O no hydrogen 2.950 N/A CYS 436.A N GLN 432.A O no hydrogen 2.938 N/A CYS 436.A SG TRP 363.A O no hydrogen 3.767 N/A ILE 437.A N PHE 433.A O no hydrogen 2.976 N/A TYR 438.A N TYR 434.A O no hydrogen 3.317 N/A ASN 439.A ND2 ASP 440.A O no hydrogen 3.273 N/A ASN 439.A ND2 GLU 444.A OE2 no hydrogen 2.594 N/A GLU 444.A N ASN 441.A O no hydrogen 2.947 N/A GLY 445.A N ASN 441.A O no hydrogen 3.059 N/A PHE 446.A N GLN 442.A O no hydrogen 2.948 N/A CYS 447.A N LEU 443.A O no hydrogen 2.886 N/A CYS 447.A SG LEU 443.A O no hydrogen 3.185 N/A ASN 448.A N GLU 444.A O no hydrogen 3.030 N/A GLU 449.A N GLY 445.A O no hydrogen 2.999 N/A GLN 450.A N PHE 446.A O no hydrogen 2.898 N/A LYS 451.A N CYS 447.A O no hydrogen 2.992 N/A LYS 451.A NZ CYS 447.A O no hydrogen 2.927 N/A LYS 451.A NZ ASN 448.A OD1 no hydrogen 3.092 N/A LYS 452.A N ASN 448.A O no hydrogen 3.126 N/A PHE 453.A N GLU 449.A O no hydrogen 2.976 N/A LEU 454.A N GLN 450.A O no hydrogen 2.908 N/A MET 455.A N LYS 451.A O no hydrogen 2.987 N/A PHE 456.A N LYS 452.A O no hydrogen 3.000 N/A LEU 457.A N PHE 453.A O no hydrogen 2.920 N/A GLN 458.A N LEU 454.A O no hydrogen 2.961 N/A ALA 459.A N MET 455.A O no hydrogen 2.934 N/A ASP 460.A N PHE 456.A O no hydrogen 2.915 N/A ASP 460.A N LEU 457.A O no hydrogen 2.964 N/A LYS 461.A N LEU 457.A O no hydrogen 2.975 N/A LYS 461.A N GLN 458.A O no hydrogen 3.229 N/A SER 463.A N ASP 460.A O no hydrogen 3.431 N/A SER 465.A OG LYS 464.A O no hydrogen 2.636 N/A THR 468.A N LEU 57.A O no hydrogen 3.098 N/A LYS 472.A N ASN 470.A OD1 no hydrogen 3.379 N/A LYS 472.A NZ GLU 476.A OE2 no hydrogen 2.535 N/A TYR 475.A N GLN 471.A O no hydrogen 3.304 N/A TYR 475.A OH ARG 66.A O no hydrogen 3.372 N/A GLU 476.A N LYS 472.A O no hydrogen 2.955 N/A LYS 477.A N GLY 473.A O no hydrogen 2.903 N/A ILE 478.A N LEU 474.A O no hydrogen 2.983 N/A GLU 479.A N TYR 475.A O no hydrogen 3.193 N/A CYS 481.A N ILE 478.A O no hydrogen 3.282 N/A CYS 481.A SG LYS 477.A O no hydrogen 3.656 N/A CYS 481.A SG ILE 478.A O no hydrogen 3.367 N/A SER 484.A N GLN 442.A OE1 no hydrogen 3.439 N/A ASN 485.A N GLN 442.A OE1 no hydrogen 3.163 N/A ASN 485.A ND2 TYR 438.A O no hydrogen 2.934 N/A CYS 488.A SG GLN 442.A O no hydrogen 4.015 N/A CYS 488.A SG CYS 481.A O no hydrogen 3.622 N/A ILE 489.A N ASN 485.A O no hydrogen 3.222 N/A PHE 490.A N PRO 486.A O no hydrogen 2.930 N/A LEU 491.A N LEU 487.A O no hydrogen 2.900 N/A ALA 492.A N CYS 488.A O no hydrogen 2.921 N/A ASP 493.A N ILE 489.A O no hydrogen 2.956 N/A ARG 494.A N PHE 490.A O no hydrogen 2.912 N/A LEU 495.A N LEU 491.A O no hydrogen 2.887 N/A ASN 496.A N ALA 492.A O no hydrogen 2.956 N/A LYS 497.A N ASP 493.A O no hydrogen 2.949 N/A LYS 497.A NZ ASP 493.A OD1 no hydrogen 2.488 N/A LYS 497.A NZ ASP 493.A OD2 no hydrogen 3.190 N/A LEU 498.A N ARG 494.A O no hydrogen 2.874 N/A PHE 499.A N LEU 495.A O no hydrogen 2.976 N/A LEU 500.A N ASN 496.A O no hydrogen 2.941 N/A VAL 501.A N LYS 497.A O no hydrogen 2.919 N/A ALA 502.A N LEU 498.A O no hydrogen 2.907 N/A SER 504.A N VAL 501.A O no hydrogen 3.304 N/A GLY 506.A N ALA 502.A O no hydrogen 3.289 N/A