Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pk4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N GLN 141.A O no hydrogen 3.307 N/A LYS 2.A NZ ASN 174.A OD1 no hydrogen 3.153 N/A TYR 3.A N ASN 174.A O no hydrogen 2.793 N/A ILE 4.A N CYS 143.A O no hydrogen 3.345 N/A VAL 6.A N ILE 145.A O no hydrogen 3.067 N/A THR 7.A OG1 GLY 8.A O no hydrogen 3.385 N/A THR 7.A OG1 HIS 179.A ND1 no hydrogen 2.883 N/A ILE 14.A N SER 12.A O no hydrogen 2.800 N/A ILE 19.A N LYS 16.A O no hydrogen 3.112 N/A ALA 20.A N LYS 16.A O no hydrogen 2.989 N/A SER 21.A N GLY 17.A O no hydrogen 3.142 N/A SER 21.A OG GLY 17.A O no hydrogen 2.673 N/A SER 22.A OG ILE 18.A O no hydrogen 2.489 N/A ILE 23.A N ILE 19.A O no hydrogen 2.862 N/A GLY 24.A N ALA 20.A O no hydrogen 3.016 N/A THR 25.A N SER 21.A O no hydrogen 2.498 N/A ILE 26.A N SER 22.A O no hydrogen 2.831 N/A LYS 28.A N GLY 24.A O no hydrogen 2.808 N/A SER 29.A N THR 25.A O no hydrogen 3.264 N/A SER 29.A OG THR 25.A O no hydrogen 3.528 N/A SER 29.A OG ILE 26.A O no hydrogen 2.343 N/A CYS 30.A N ILE 26.A O no hydrogen 2.814 N/A CYS 30.A SG ILE 26.A O no hydrogen 3.268 N/A GLY 31.A N LYS 28.A O no hydrogen 3.283 N/A LEU 32.A N LEU 27.A O no hydrogen 3.158 N/A ARG 33.A NE GLU 139.A O no hydrogen 3.136 N/A ARG 33.A NH2 GLU 139.A O no hydrogen 2.586 N/A THR 35.A OG1 ILE 142.A O no hydrogen 3.506 N/A ILE 37.A N VAL 144.A O no hydrogen 3.240 N/A LYS 38.A NZ ASP 70.A OD2 no hydrogen 2.891 N/A LYS 38.A NZ GLU 146.A OE2 no hydrogen 2.909 N/A ILE 39.A N GLU 146.A O no hydrogen 2.520 N/A ASP 40.A N ILE 88.A O no hydrogen 3.137 N/A THR 49.A OG1 THR 49.A O no hydrogen 2.587 N/A PHE 50.A N ALA 47.A O no hydrogen 2.778 N/A PHE 59.A N VAL 67.A O no hydrogen 2.972 N/A PHE 59.A N ASP 68.A O no hydrogen 2.991 N/A GLY 72.A N LEU 69.A O no hydrogen 2.144 N/A TYR 74.A N ASP 70.A O no hydrogen 3.348 N/A TYR 74.A OH GLU 146.A OE1 no hydrogen 2.363 N/A GLU 75.A N LEU 71.A O no hydrogen 3.245 N/A ARG 76.A N GLY 72.A O no hydrogen 2.999 N/A PHE 77.A N ASN 73.A O no hydrogen 3.059 N/A LEU 78.A N TYR 74.A O no hydrogen 3.031 N/A LYS 84.A N ASP 63.A OD2 no hydrogen 3.133 N/A THR 90.A OG1 ASP 40.A O no hydrogen 3.237 N/A LYS 92.A N THR 89.A O no hydrogen 3.203 N/A LYS 92.A N THR 89.A OG1 no hydrogen 2.976 N/A LYS 92.A NZ ASN 87.A O no hydrogen 3.329 N/A ILE 93.A N THR 89.A O no hydrogen 3.275 N/A ILE 93.A N THR 90.A O no hydrogen 3.229 N/A TYR 94.A N THR 90.A O no hydrogen 3.163 N/A GLN 95.A N GLY 91.A O no hydrogen 3.311 N/A HIS 96.A N LYS 92.A O no hydrogen 3.115 N/A VAL 97.A N TYR 94.A O no hydrogen 2.944 N/A ILE 98.A N TYR 94.A O no hydrogen 2.604 N/A LYS 100.A N VAL 97.A O no hydrogen 2.903 N/A LYS 100.A NZ TYR 106.A OH no hydrogen 3.505 N/A GLU 101.A N VAL 97.A O no hydrogen 3.218 N/A ARG 103.A NE ASN 99.A O no hydrogen 3.002 N/A ASP 105.A N LYS 100.A O no hydrogen 3.313 N/A LEU 107.A N GLY 104.A O no hydrogen 3.035 N/A LYS 109.A N TYR 106.A O no hydrogen 3.158 N/A THR 118.A OG1 PRO 115.A O no hydrogen 2.845 N/A THR 118.A OG1 GLN 165.A OE1 no hydrogen 3.134 N/A ASP 119.A N PRO 115.A O no hydrogen 2.421 N/A VAL 121.A N ILE 117.A O no hydrogen 2.868 N/A GLN 122.A N THR 118.A O no hydrogen 3.298 N/A TRP 124.A N ALA 120.A O no hydrogen 3.223 N/A TRP 124.A NE1 ASP 85.A O no hydrogen 2.560 N/A VAL 125.A N VAL 121.A O no hydrogen 3.005 N/A ASN 127.A N GLU 123.A O no hydrogen 3.246 N/A ASN 127.A N TRP 124.A O no hydrogen 3.216 N/A GLN 128.A N TRP 124.A O no hydrogen 3.072 N/A ALA 129.A N VAL 125.A O no hydrogen 3.406 N/A LYS 130.A N MET 126.A O no hydrogen 3.204 N/A VAL 131.A N ASN 127.A O no hydrogen 3.088 N/A GLY 135.A N ASP 134.A OD1 no hydrogen 2.759 N/A GLN 141.A N ARG 33.A O no hydrogen 3.277 N/A ILE 142.A N ARG 33.A O no hydrogen 3.390 N/A CYS 143.A SG THR 35.A OG1 no hydrogen 2.935 N/A VAL 144.A N THR 35.A O no hydrogen 3.401 N/A ILE 145.A N ILE 4.A O no hydrogen 2.616 N/A GLU 146.A N ILE 37.A O no hydrogen 2.649 N/A GLY 148.A N ILE 39.A O no hydrogen 2.801 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.875 N/A GLY 156.A N ASP 153.A OD1 no hydrogen 3.348 N/A MET 157.A N ILE 154.A O no hydrogen 3.472 N/A PHE 163.A N PHE 159.A O no hydrogen 3.018 N/A ARG 164.A N VAL 160.A O no hydrogen 2.971 N/A ARG 164.A NE GLU 161.A OE1 no hydrogen 2.942 N/A ARG 164.A NH2 GLU 161.A OE1 no hydrogen 3.343 N/A ARG 164.A NH2 GLU 161.A OE2 no hydrogen 2.373 N/A GLN 165.A N GLU 161.A O no hydrogen 3.388 N/A PHE 166.A N PHE 163.A O no hydrogen 3.181 N/A GLN 167.A N PHE 163.A O no hydrogen 3.258 N/A LYS 169.A N GLN 165.A O no hydrogen 3.389 N/A ALA 170.A N PHE 166.A O no hydrogen 3.048 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.930 N/A ASN 174.A N LYS 171.A O no hydrogen 2.786 N/A CYS 176.A SG ASP 212.A OD2 no hydrogen 3.314 N/A ASN 177.A ND2 SER 210.A O no hydrogen 3.091 N/A ILE 178.A N LEU 5.A O no hydrogen 2.971 N/A HIS 179.A ND1 THR 7.A OG1 no hydrogen 2.883 N/A HIS 179.A NE2 SER 200.A OG no hydrogen 2.816 N/A SER 181.A N VAL 215.A O no hydrogen 2.858 N/A SER 181.A OG LEU 182.A O no hydrogen 3.341 N/A SER 181.A OG THR 197.A OG1 no hydrogen 3.077 N/A THR 189.A N LEU 186.A O no hydrogen 2.786 N/A GLY 190.A N THR 189.A OG1 no hydrogen 2.687 N/A GLN 192.A NE2 VAL 183.A O no hydrogen 3.483 N/A LYS 193.A NZ GLU 191.A OE1 no hydrogen 2.978 N/A LYS 195.A NZ GLN 198.A OE1 no hydrogen 3.040 N/A THR 197.A OG1 SER 181.A OG no hydrogen 3.077 N/A THR 197.A OG1 LEU 182.A O no hydrogen 3.276 N/A GLN 198.A N THR 194.A O no hydrogen 3.428 N/A ASN 199.A N LYS 195.A O no hydrogen 3.179 N/A SER 200.A N PRO 196.A O no hydrogen 3.205 N/A SER 200.A OG HIS 179.A NE2 no hydrogen 2.816 N/A VAL 201.A N THR 197.A O no hydrogen 3.038 N/A VAL 201.A N GLN 198.A O no hydrogen 3.259 N/A ARG 202.A N GLN 198.A O no hydrogen 3.159 N/A ALA 203.A N ASN 199.A O no hydrogen 3.217 N/A LEU 204.A N SER 200.A O no hydrogen 3.344 N/A ARG 205.A N VAL 201.A O no hydrogen 2.580 N/A ARG 205.A NH2 CYS 234.A O no hydrogen 3.219 N/A LEU 207.A N LEU 204.A O no hydrogen 3.111 N/A GLY 208.A N ARG 205.A O no hydrogen 3.097 N/A LEU 209.A N LEU 204.A O no hydrogen 3.351 N/A ASP 212.A N ASN 177.A O no hydrogen 2.839 N/A LEU 213.A N ASN 177.A O no hydrogen 3.376 N/A ILE 214.A N GLN 240.A O no hydrogen 2.982 N/A VAL 215.A N HIS 179.A O no hydrogen 2.879 N/A CYS 216.A N ILE 242.A O no hydrogen 3.252 N/A ARG 217.A N SER 181.A O no hydrogen 3.053 N/A SER 218.A N ILE 244.A O no hydrogen 3.341 N/A SER 218.A OG THR 220.A O no hydrogen 2.914 N/A THR 220.A OG1 PRO 221.A O no hydrogen 3.378 N/A VAL 226.A N GLU 223.A O no hydrogen 2.978 N/A LYS 227.A N GLU 223.A O no hydrogen 3.301 N/A GLU 228.A N MET 224.A O no hydrogen 3.046 N/A LYS 229.A N ALA 225.A O no hydrogen 3.337 N/A ILE 230.A N VAL 226.A O no hydrogen 3.076 N/A SER 231.A N LYS 227.A O no hydrogen 3.287 N/A SER 231.A OG LYS 227.A O no hydrogen 3.078 N/A SER 231.A OG GLU 228.A O no hydrogen 2.570 N/A MET 232.A N GLU 228.A O no hydrogen 2.923 N/A PHE 233.A N LYS 229.A O no hydrogen 2.848 N/A CYS 234.A N ILE 230.A O no hydrogen 3.097 N/A GLN 240.A N ASN 237.A O no hydrogen 3.150 N/A ILE 242.A N ILE 214.A O no hydrogen 3.186 N/A ILE 244.A N CYS 216.A O no hydrogen 3.407 N/A ASP 246.A N SER 219.A O no hydrogen 3.406 N/A ARG 252.A N SER 249.A O no hydrogen 3.340 N/A VAL 253.A N THR 250.A O no hydrogen 3.264 N/A LEU 256.A N ARG 252.A O no hydrogen 2.713 N/A SER 261.A N GLU 258.A O no hydrogen 3.339 N/A GLU 268.A N TYR 265.A O no hydrogen 2.881 N/A ARG 269.A N TYR 265.A O no hydrogen 2.754 N/A LEU 270.A N PHE 266.A O no hydrogen 2.965 N/A LYS 284.A N LEU 281.A O no hydrogen 3.242 N/A TRP 285.A N LEU 281.A O no hydrogen 3.327 N/A ASN 287.A ND2 PHE 283.A O no hydrogen 3.682 N/A ARG 291.A N ASN 287.A O no hydrogen 3.135 N/A TYR 292.A N ALA 289.A O no hydrogen 3.382 N/A ARG 294.A N ASP 290.A O no hydrogen 3.393 N/A SER 300.A N ASP 365.A OD1 no hydrogen 3.212 N/A SER 300.A N ASP 365.A OD2 no hydrogen 2.493 N/A SER 300.A OG CYS 299.A O no hydrogen 2.736 N/A ALA 302.A N GLY 366.A O no hydrogen 2.661 N/A LEU 303.A N MET 335.A O no hydrogen 3.037 N/A VAL 304.A N LEU 368.A O no hydrogen 3.110 N/A GLY 305.A N ILE 337.A O no hydrogen 3.260 N/A LYS 306.A NZ TYR 307.A OH no hydrogen 2.504 N/A ARG 311.A N LYS 309.A O no hydrogen 2.425 N/A CYS 313.A N ARG 311.A O no hydrogen 2.620 N/A CYS 313.A SG ARG 311.A O no hydrogen 2.772 N/A VAL 317.A N TYR 314.A O no hydrogen 3.295 N/A PHE 318.A N TYR 314.A O no hydrogen 3.227 N/A LYS 319.A N ALA 315.A O no hydrogen 3.419 N/A ALA 320.A N VAL 317.A O no hydrogen 2.886 N/A LEU 321.A N VAL 317.A O no hydrogen 2.913 N/A GLU 322.A N PHE 318.A O no hydrogen 3.240 N/A ALA 325.A N LEU 321.A O no hydrogen 2.873 N/A LEU 326.A N GLU 322.A O no hydrogen 2.974 N/A ALA 327.A N SER 324.A O no hydrogen 2.901 N/A ILE 328.A N SER 324.A O no hydrogen 3.217 N/A ASN 333.A N CYS 299.A O no hydrogen 3.335 N/A ILE 337.A N LEU 303.A O no hydrogen 2.762 N/A SER 339.A OG GLY 377.A O no hydrogen 2.429 N/A ILE 340.A N ASP 338.A OD1 no hydrogen 3.269 N/A ASP 341.A N ASP 338.A O no hydrogen 3.010 N/A LEU 342.A N SER 339.A O no hydrogen 3.440 N/A GLU 343.A N ILE 340.A O no hydrogen 3.012 N/A THR 346.A OG1 ILE 340.A O no hydrogen 3.052 N/A THR 348.A OG1 LYS 344.A O no hydrogen 3.163 N/A GLU 349.A N ILE 345.A O no hydrogen 3.291 N/A GLU 349.A N THR 346.A O no hydrogen 3.076 N/A ASP 350.A N THR 346.A O no hydrogen 2.493 N/A VAL 352.A N ASP 350.A OD1 no hydrogen 3.301 N/A HIS 355.A N PRO 351.A O no hydrogen 3.067 N/A ALA 357.A N PHE 354.A O no hydrogen 2.900 N/A TRP 358.A N PHE 354.A O no hydrogen 3.387 N/A GLN 359.A N HIS 355.A O no hydrogen 3.279 N/A LYS 360.A N ALA 357.A O no hydrogen 3.268 N/A LEU 361.A N ALA 357.A O no hydrogen 3.100 N/A LEU 361.A N TRP 358.A O no hydrogen 2.828 N/A CYS 362.A N TRP 358.A O no hydrogen 2.858 N/A CYS 362.A SG TRP 358.A O no hydrogen 3.670 N/A ILE 367.A N PRO 394.A O no hydrogen 3.060 N/A VAL 369.A N LEU 396.A O no hydrogen 3.092 N/A THR 378.A OG1 GLY 374.A O no hydrogen 2.957 N/A LYS 381.A N GLY 377.A O no hydrogen 2.787 N/A LYS 381.A NZ VAL 304.A O no hydrogen 2.753 N/A LYS 381.A NZ GLY 305.A O no hydrogen 2.598 N/A ALA 384.A N LYS 381.A O no hydrogen 3.103 N/A SER 386.A OG GLU 408.A OE1 no hydrogen 3.104 N/A TRP 387.A N GLN 383.A O no hydrogen 2.955 N/A ALA 388.A N ALA 384.A O no hydrogen 3.159 N/A ARG 389.A N SER 386.A O no hydrogen 3.161 N/A THR 390.A N SER 386.A O no hydrogen 3.131 N/A THR 390.A OG1 SER 386.A O no hydrogen 3.385 N/A GLY 397.A N VAL 521.A O no hydrogen 2.980 N/A VAL 398.A N VAL 369.A O no hydrogen 2.941 N/A CYS 399.A N VAL 523.A O no hydrogen 2.876 N/A CYS 399.A SG ARG 479.A O no hydrogen 3.963 N/A LEU 400.A N VAL 398.A O no hydrogen 2.784 N/A LEU 404.A N LEU 400.A O no hydrogen 2.836 N/A ALA 405.A N GLY 401.A O no hydrogen 2.582 N/A ILE 407.A N GLN 403.A O no hydrogen 3.208 N/A GLU 408.A N LEU 404.A O no hydrogen 3.140 N/A PHE 409.A N ALA 405.A O no hydrogen 3.310 N/A ARG 411.A N ILE 407.A O no hydrogen 3.346 N/A ARG 411.A NE ALA 419.A O no hydrogen 2.947 N/A ARG 411.A NH2 ALA 419.A O no hydrogen 2.694 N/A ASN 412.A N GLU 408.A O no hydrogen 2.813 N/A ASN 412.A ND2 SER 386.A OG no hydrogen 3.081 N/A CYS 413.A N PHE 409.A O no hydrogen 2.928 N/A LEU 416.A N ALA 410.A O no hydrogen 2.765 N/A LYS 417.A NZ ARG 411.A O no hydrogen 2.385 N/A ALA 419.A N LEU 416.A O no hydrogen 3.418 N/A SER 421.A N ASP 420.A OD1 no hydrogen 2.643 N/A THR 422.A N VAL 433.A O no hydrogen 2.845 N/A THR 422.A OG1 VAL 433.A O no hydrogen 2.571 N/A ARG 425.A NE ASN 427.A O no hydrogen 3.289 N/A ARG 425.A NH2 ASN 427.A O no hydrogen 3.028 N/A ALA 428.A N PRO 426.A O no hydrogen 2.777 N/A LEU 432.A N ASP 420.A O no hydrogen 3.116 N/A ILE 434.A N GLU 483.A O no hydrogen 2.477 N/A ASN 440.A ND2 GLU 438.A OE1 no hydrogen 2.755 N/A ASN 440.A ND2 ASN 443.A OD1 no hydrogen 3.693 N/A ASN 443.A N ASN 440.A O no hydrogen 3.015 N/A THR 447.A OG1 GLU 438.A O no hydrogen 2.822 N/A ARG 449.A NH2 HIS 480.A ND1 no hydrogen 3.031 N/A ILE 452.A N ASN 62.A O no hydrogen 3.269 N/A ARG 453.A N GLU 476.A O no hydrogen 2.844 N/A THR 455.A N ILE 474.A O no hydrogen 3.073 N/A VAL 456.A N GLN 502.A O no hydrogen 2.357 N/A PHE 457.A N PRO 472.A O no hydrogen 2.601 N/A LYS 458.A N VAL 500.A O no hydrogen 3.120 N/A SER 462.A N GLU 460.A O no hydrogen 2.616 N/A SER 462.A OG GLU 513.A OE2 no hydrogen 2.870 N/A ILE 463.A N GLU 513.A OE1 no hydrogen 3.406 N/A ILE 463.A N GLU 513.A OE2 no hydrogen 2.777 N/A LEU 464.A N SER 462.A OG no hydrogen 3.048 N/A LEU 464.A N GLU 513.A OE2 no hydrogen 3.282 N/A ARG 465.A N SER 462.A OG no hydrogen 3.343 N/A ARG 465.A NH1 GLU 460.A OE1 no hydrogen 2.607 N/A LEU 467.A N LEU 464.A O no hydrogen 3.074 N/A TYR 468.A N LEU 464.A O no hydrogen 3.161 N/A GLY 469.A N ARG 465.A O no hydrogen 3.217 N/A ASP 470.A N ARG 465.A O no hydrogen 2.707 N/A ILE 474.A N THR 455.A O no hydrogen 2.990 N/A GLU 476.A N ARG 453.A O no hydrogen 3.487 N/A ARG 477.A NH2 ASN 62.A OD1 no hydrogen 2.768 N/A GLU 483.A N ILE 434.A O no hydrogen 2.853 N/A ASN 485.A N LEU 432.A O no hydrogen 3.230 N/A ASN 487.A N ASN 485.A OD1 no hydrogen 3.154 N/A LYS 490.A N ASN 487.A O no hydrogen 3.428 N/A PHE 492.A N ILE 489.A O no hydrogen 2.702 N/A SER 498.A N GLU 513.A O no hydrogen 3.338 N/A VAL 500.A N ILE 511.A O no hydrogen 3.142 N/A GLN 502.A N VAL 456.A O no hydrogen 2.746 N/A GLY 506.A N ASP 503.A OD1 no hydrogen 2.859 N/A GLY 506.A N ASP 505.A OD1 no hydrogen 2.722 N/A ILE 512.A N GLY 522.A O no hydrogen 3.040 N/A GLU 513.A N SER 498.A O no hydrogen 3.517 N/A ALA 515.A N ASP 496.A O no hydrogen 2.991 N/A HIS 517.A N ALA 515.A O no hydrogen 2.716 N/A HIS 517.A NE2 ALA 388.A O no hydrogen 3.052 N/A TYR 519.A N HIS 517.A ND1 no hydrogen 3.032 N/A TYR 519.A OH PRO 539.A O no hydrogen 2.929 N/A VAL 521.A N PHE 395.A O no hydrogen 3.465 N/A VAL 523.A N GLY 397.A O no hydrogen 2.716 N/A GLN 524.A N GLU 510.A O no hydrogen 2.892 N/A HIS 526.A N ARG 477.A O no hydrogen 3.124 N/A SER 531.A OG GLU 528.A O no hydrogen 3.028 N/A ARG 532.A N LYS 535.A O no hydrogen 3.217 N/A ARG 532.A NH1 GLU 75.A O no hydrogen 2.500 N/A SER 537.A OG PRO 527.A O no hydrogen 2.643 N/A TYR 540.A OH GLU 528.A OE2 no hydrogen 2.239 N/A LEU 541.A N SER 537.A O no hydrogen 2.673 N/A LEU 543.A N PRO 539.A O no hydrogen 3.223 N/A LEU 544.A N TYR 540.A O no hydrogen 3.284 N/A LEU 545.A N LEU 541.A O no hydrogen 3.100 N/A ALA 546.A N GLY 542.A O no hydrogen 2.688 N/A ALA 547.A N LEU 543.A O no hydrogen 3.179 N/A THR 548.A N LEU 544.A O no hydrogen 3.182 N/A GLY 549.A N ALA 546.A O no hydrogen 3.377 N/A TYR 554.A N ASN 550.A O no hydrogen 2.756 N/A LEU 555.A N ASN 552.A O no hydrogen 3.147 N/A GLN 556.A N ASN 552.A O no hydrogen 3.043 N/A