Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hkc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N GLN 123.A OE1 no hydrogen 3.461 N/A ILE 4.A N GLY 124.A O no hydrogen 3.357 N/A SER 5.A N ARG 54.A O no hydrogen 2.949 N/A ILE 6.A N LEU 126.A O no hydrogen 2.898 N/A HIS 7.A N VAL 56.A O no hydrogen 2.856 N/A VAL 8.A N PHE 128.A O no hydrogen 3.033 N/A GLY 9.A N VAL 58.A O no hydrogen 3.071 N/A VAL 13.A N GLY 9.A O no hydrogen 2.675 N/A GLN 14.A N GLN 10.A O no hydrogen 3.146 N/A ILE 15.A N ALA 11.A O no hydrogen 2.978 N/A GLY 16.A N GLY 12.A O no hydrogen 3.124 N/A ASN 17.A N VAL 13.A O no hydrogen 2.793 N/A ALA 18.A N GLN 14.A O no hydrogen 3.141 N/A ALA 18.A N ILE 15.A O no hydrogen 3.232 N/A CYS 19.A N GLY 16.A O no hydrogen 2.591 N/A CYS 19.A SG ILE 15.A O no hydrogen 3.628 N/A CYS 19.A SG GLY 16.A O no hydrogen 4.036 N/A TRP 20.A N GLY 16.A O no hydrogen 2.612 N/A GLU 21.A N ASN 17.A O no hydrogen 3.472 N/A TYR 23.A N CYS 19.A O no hydrogen 2.771 N/A TYR 23.A OH THR 229.A OG1 no hydrogen 3.151 N/A CYS 24.A N TRP 20.A O no hydrogen 2.780 N/A CYS 24.A SG TRP 20.A O no hydrogen 3.945 N/A LEU 25.A N GLU 21.A O no hydrogen 3.220 N/A GLU 26.A N LEU 22.A O no hydrogen 3.115 N/A HIS 27.A N TYR 23.A O no hydrogen 2.878 N/A HIS 27.A N CYS 24.A O no hydrogen 2.913 N/A GLY 28.A N LEU 25.A O no hydrogen 3.393 N/A ILE 29.A N CYS 24.A O no hydrogen 3.125 N/A GLN 30.A N GLN 34.A O no hydrogen 3.162 N/A GLY 33.A N GLN 30.A O no hydrogen 2.613 N/A GLN 34.A N ASP 32.A OD1 no hydrogen 3.272 N/A ASN 40.A ND2 PHE 43.A O no hydrogen 3.196 N/A PHE 42.A N PHE 39.A O no hydrogen 3.229 N/A SER 44.A N VAL 52.A O no hydrogen 2.989 N/A LYS 50.A NZ GLN 75.A O no hydrogen 3.012 N/A ARG 54.A N PHE 42.A O no hydrogen 2.978 N/A ARG 54.A NH2 ASN 40.A O no hydrogen 3.126 N/A VAL 56.A N SER 5.A O no hydrogen 2.797 N/A PHE 57.A N GLN 81.A O no hydrogen 2.987 N/A VAL 58.A N HIS 7.A O no hydrogen 2.913 N/A ASP 59.A N ILE 83.A O no hydrogen 3.124 N/A THR 63.A OG1 GLU 61.A OE1 no hydrogen 2.610 N/A ILE 65.A N PRO 62.A O no hydrogen 2.891 N/A GLU 67.A N THR 63.A O no hydrogen 3.164 N/A VAL 68.A N ILE 65.A O no hydrogen 3.161 N/A ARG 69.A N ILE 65.A O no hydrogen 3.466 N/A ARG 69.A NH1 LEU 82.A O no hydrogen 3.488 N/A THR 70.A N GLU 67.A O no hydrogen 3.305 N/A GLY 71.A N GLU 67.A O no hydrogen 3.429 N/A ARG 74.A N GLY 71.A O no hydrogen 3.380 N/A LEU 76.A N TYR 73.A O no hydrogen 2.603 N/A GLN 81.A N HIS 78.A O no hydrogen 2.561 N/A ILE 83.A N PHE 57.A O no hydrogen 2.657 N/A GLU 87.A N GLY 85.A O no hydrogen 2.701 N/A ALA 89.A N ASP 88.A OD1 no hydrogen 2.655 N/A ALA 90.A N ASP 88.A OD1 no hydrogen 3.469 N/A TYR 93.A N ASN 176.A OD1 no hydrogen 3.388 N/A TYR 93.A OH SER 141.A OG no hydrogen 3.297 N/A TYR 93.A OH THR 183.A OG1 no hydrogen 3.031 N/A ARG 95.A NH2 GLU 87.A OE2 no hydrogen 3.298 N/A GLY 96.A N ASN 92.A O no hydrogen 3.182 N/A HIS 97.A N TYR 93.A O no hydrogen 2.854 N/A HIS 97.A ND1 GLY 138.A O no hydrogen 3.210 N/A TYR 98.A N ALA 94.A O no hydrogen 2.901 N/A TYR 98.A OH GLU 407.A OE1 no hydrogen 2.552 N/A TYR 98.A OH GLU 407.A OE2 no hydrogen 2.990 N/A THR 99.A N ARG 95.A O no hydrogen 2.913 N/A THR 99.A OG1 GLU 401.A O no hydrogen 3.417 N/A ILE 100.A N ARG 95.A O no hydrogen 2.860 N/A ILE 104.A N GLY 101.A O no hydrogen 3.092 N/A ILE 105.A N GLY 101.A O no hydrogen 3.384 N/A LEU 107.A N ILE 104.A O no hydrogen 2.997 N/A VAL 108.A N ILE 104.A O no hydrogen 3.141 N/A LEU 109.A N ILE 105.A O no hydrogen 3.033 N/A ASP 110.A N ASP 106.A O no hydrogen 3.334 N/A ARG 111.A N LEU 107.A O no hydrogen 3.064 N/A ILE 112.A N VAL 108.A O no hydrogen 3.080 N/A ARG 113.A N LEU 109.A O no hydrogen 3.401 N/A LYS 114.A N ASP 110.A O no hydrogen 3.066 N/A LEU 115.A N ARG 111.A O no hydrogen 3.232 N/A LEU 115.A N ILE 112.A O no hydrogen 2.843 N/A ALA 116.A N ILE 112.A O no hydrogen 2.959 N/A ASP 117.A N ARG 113.A O no hydrogen 2.772 N/A CYS 119.A SG LEU 115.A O no hydrogen 3.294 N/A CYS 119.A SG GLN 118.A O no hydrogen 3.125 N/A GLY 121.A N CYS 119.A O no hydrogen 2.923 N/A PHE 125.A N SER 155.A O no hydrogen 2.981 N/A LEU 126.A N ILE 4.A O no hydrogen 2.954 N/A VAL 127.A N LEU 157.A O no hydrogen 2.956 N/A PHE 128.A N ILE 6.A O no hydrogen 2.766 N/A HIS 129.A N PHE 159.A O no hydrogen 3.414 N/A PHE 131.A N ILE 161.A O no hydrogen 3.180 N/A SER 137.A N GLY 133.A O no hydrogen 3.212 N/A SER 137.A OG GLY 133.A O no hydrogen 2.820 N/A SER 137.A OG GLY 134.A O no hydrogen 3.273 N/A GLY 138.A N GLY 134.A O no hydrogen 3.324 N/A PHE 139.A N THR 135.A O no hydrogen 2.854 N/A THR 140.A N THR 135.A O no hydrogen 3.320 N/A THR 140.A OG1 GLY 136.A O no hydrogen 2.387 N/A SER 141.A N SER 137.A O no hydrogen 3.157 N/A SER 141.A OG TYR 93.A OH no hydrogen 3.297 N/A SER 141.A OG THR 183.A OG1 no hydrogen 3.065 N/A LEU 142.A N GLY 138.A O no hydrogen 3.210 N/A LEU 143.A N PHE 139.A O no hydrogen 2.865 N/A MET 144.A N THR 140.A O no hydrogen 2.896 N/A GLU 145.A N SER 141.A O no hydrogen 3.221 N/A ARG 146.A N LEU 142.A O no hydrogen 3.453 N/A LEU 147.A N LEU 143.A O no hydrogen 2.830 N/A SER 148.A N MET 144.A O no hydrogen 2.810 N/A VAL 149.A N ARG 146.A O no hydrogen 2.878 N/A ASP 150.A N ARG 146.A O no hydrogen 2.885 N/A TYR 151.A N LEU 147.A O no hydrogen 3.058 N/A LYS 154.A NZ LEU 122.A O no hydrogen 3.123 N/A LYS 156.A N ASP 189.A OD1 no hydrogen 3.324 N/A LYS 156.A NZ HIS 187.A O no hydrogen 2.962 N/A LEU 157.A N PHE 125.A O no hydrogen 2.863 N/A GLU 158.A N CYS 190.A O no hydrogen 3.058 N/A PHE 159.A N VAL 127.A O no hydrogen 3.022 N/A ILE 161.A N HIS 129.A O no hydrogen 3.112 N/A TYR 162.A N VAL 194.A O no hydrogen 2.924 N/A TYR 162.A OH ALA 377.A O no hydrogen 2.928 N/A ALA 170.A N GLU 173.A OE2 no hydrogen 3.445 N/A ASN 176.A N VAL 172.A O no hydrogen 3.456 N/A ASN 176.A ND2 ASN 91.A O no hydrogen 3.122 N/A SER 177.A N GLU 173.A O no hydrogen 3.025 N/A ILE 178.A N PRO 174.A O no hydrogen 3.047 N/A LEU 179.A N TYR 175.A O no hydrogen 2.833 N/A THR 180.A N ASN 176.A O no hydrogen 2.784 N/A THR 180.A OG1 SER 137.A O no hydrogen 2.829 N/A THR 181.A N SER 177.A O no hydrogen 3.038 N/A HIS 182.A N LEU 179.A O no hydrogen 3.263 N/A HIS 182.A ND1 ASP 414.A OD2 no hydrogen 3.199 N/A THR 183.A OG1 TYR 93.A OH no hydrogen 3.031 N/A THR 183.A OG1 SER 141.A OG no hydrogen 3.065 N/A THR 183.A OG1 LEU 179.A O no hydrogen 3.418 N/A THR 183.A OG1 THR 180.A O no hydrogen 3.136 N/A THR 184.A N THR 180.A O no hydrogen 2.728 N/A HIS 187.A N THR 184.A O no hydrogen 3.365 N/A HIS 187.A ND1 THR 183.A O no hydrogen 3.206 N/A ASP 189.A N LYS 156.A O no hydrogen 2.825 N/A ALA 191.A N HIS 256.A O no hydrogen 3.536 N/A PHE 192.A N GLU 158.A O no hydrogen 2.638 N/A VAL 194.A N SER 160.A O no hydrogen 2.849 N/A ASP 195.A N MET 292.A O no hydrogen 2.893 N/A ASN 196.A N TYR 162.A O no hydrogen 3.011 N/A ILE 199.A N ASP 195.A O no hydrogen 3.063 N/A TYR 200.A N ASN 196.A O no hydrogen 2.880 N/A ASP 201.A N GLU 197.A O no hydrogen 2.734 N/A ILE 202.A N ALA 198.A O no hydrogen 3.062 N/A CYS 203.A N ILE 199.A O no hydrogen 3.173 N/A CYS 203.A SG ILE 199.A O no hydrogen 3.281 N/A ARG 204.A N ASP 201.A O no hydrogen 2.773 N/A ARG 205.A N ASP 201.A O no hydrogen 2.981 N/A ASN 206.A N ILE 202.A O no hydrogen 2.747 N/A ASN 206.A ND2 ILE 202.A O no hydrogen 2.956 N/A LEU 207.A N ILE 202.A O no hydrogen 3.347 N/A ILE 209.A N CYS 203.A O no hydrogen 3.009 N/A THR 213.A N ASN 216.A OD1 no hydrogen 3.315 N/A THR 213.A OG1 ASN 216.A OD1 no hydrogen 3.089 N/A ASN 216.A ND2 ASP 357.A OD1 no hydrogen 3.564 N/A LEU 217.A N THR 213.A O no hydrogen 3.094 N/A ASN 218.A N TYR 214.A O no hydrogen 2.658 N/A ARG 219.A NH1 GLU 21.A OE1 no hydrogen 2.760 N/A LEU 220.A N LEU 217.A O no hydrogen 2.964 N/A ILE 221.A N LEU 217.A O no hydrogen 3.104 N/A GLY 222.A N ASN 218.A O no hydrogen 2.806 N/A GLN 223.A N ARG 219.A O no hydrogen 3.165 N/A GLN 223.A NE2 THR 351.A O no hydrogen 3.358 N/A ILE 224.A N LEU 220.A O no hydrogen 3.277 N/A VAL 225.A N ILE 221.A O no hydrogen 3.022 N/A SER 226.A N GLY 222.A O no hydrogen 2.869 N/A SER 226.A OG GLU 26.A OE1 no hydrogen 3.313 N/A SER 226.A OG GLN 223.A O no hydrogen 3.479 N/A SER 227.A N GLN 223.A O no hydrogen 2.829 N/A ILE 228.A N ILE 224.A O no hydrogen 2.978 N/A THR 229.A N VAL 225.A O no hydrogen 2.834 N/A THR 229.A OG1 TYR 23.A OH no hydrogen 3.151 N/A THR 229.A OG1 VAL 225.A O no hydrogen 2.408 N/A ALA 230.A N SER 226.A O no hydrogen 2.989 N/A SER 231.A OG ILE 228.A O no hydrogen 3.470 N/A LEU 232.A N THR 229.A O no hydrogen 2.810 N/A ARG 233.A N THR 229.A O no hydrogen 3.277 N/A ARG 233.A N ALA 230.A O no hydrogen 3.171 N/A ARG 233.A NE HIS 27.A NE2 no hydrogen 3.481 N/A ARG 233.A NH1 SER 226.A O no hydrogen 2.681 N/A ARG 233.A NH2 GLU 26.A OE2 no hydrogen 2.250 N/A PHE 234.A N ALA 230.A O no hydrogen 3.264 N/A ASN 239.A ND2 ASN 248.A OD1 no hydrogen 3.556 N/A VAL 240.A N GLU 244.A OE1 no hydrogen 3.313 N/A THR 243.A OG1 ASP 241.A OD1 no hydrogen 3.478 N/A GLU 244.A N ASP 241.A O no hydrogen 3.065 N/A PHE 245.A N LEU 242.A O no hydrogen 3.063 N/A GLN 246.A N THR 243.A O no hydrogen 3.095 N/A THR 247.A N THR 243.A O no hydrogen 3.210 N/A ASN 248.A N GLU 244.A O no hydrogen 3.133 N/A LEU 249.A N GLN 246.A O no hydrogen 3.129 N/A VAL 250.A N GLN 246.A O no hydrogen 2.863 N/A ARG 254.A NH1 ASP 421.A OD2 no hydrogen 2.314 N/A ARG 254.A NH2 ASP 414.A O no hydrogen 3.272 N/A ARG 254.A NH2 ASP 414.A OD2 no hydrogen 3.114 N/A LEU 259.A N SER 369.A O no hydrogen 2.633 N/A THR 261.A OG1 MET 367.A O no hydrogen 3.551 N/A SER 267.A OG GLU 269.A OE2 no hydrogen 3.526 N/A ALA 268.A N ASP 357.A O no hydrogen 2.985 N/A LYS 270.A N SER 267.A O no hydrogen 2.595 N/A ILE 281.A N SER 277.A O no hydrogen 3.172 N/A THR 282.A OG1 VAL 278.A O no hydrogen 2.621 N/A THR 282.A OG1 TYR 309.A OH no hydrogen 2.862 N/A ASN 283.A N ALA 279.A O no hydrogen 2.950 N/A ALA 284.A N ILE 281.A O no hydrogen 3.017 N/A CYS 285.A N ILE 281.A O no hydrogen 3.243 N/A CYS 285.A N THR 282.A O no hydrogen 2.784 N/A CYS 285.A SG ILE 281.A O no hydrogen 3.508 N/A ALA 289.A N GLU 287.A OE2 no hydrogen 3.329 N/A ASN 290.A N GLU 287.A O no hydrogen 2.773 N/A LYS 294.A N ASP 195.A OD2 no hydrogen 3.252 N/A CYS 295.A SG GLN 291.A OE1 no hydrogen 3.903 N/A CYS 295.A SG VAL 293.A O no hydrogen 3.630 N/A CYS 295.A SG ALA 373.A O no hydrogen 3.812 N/A ARG 298.A N ASP 296.A OD1 no hydrogen 3.189 N/A LYS 301.A N THR 372.A OG1 no hydrogen 3.293 N/A MET 303.A N ASN 370.A O no hydrogen 2.837 N/A CYS 305.A SG LEU 368.A O no hydrogen 3.922 N/A CYS 306.A SG LYS 342.A O no hydrogen 3.690 N/A TYR 309.A N GLY 344.A O no hydrogen 2.758 N/A TYR 309.A OH THR 282.A OG1 no hydrogen 2.862 N/A ARG 310.A N ALA 364.A O no hydrogen 2.764 N/A ARG 310.A NH1 GLU 26.A OE1 no hydrogen 3.372 N/A GLY 311.A N ASN 346.A O no hydrogen 2.727 N/A ASP 312.A N GLN 362.A O no hydrogen 3.225 N/A ASP 317.A N VAL 314.A O no hydrogen 3.304 N/A ASN 319.A N PRO 315.A O no hydrogen 2.934 N/A ALA 321.A N ASP 317.A O no hydrogen 2.555 N/A ILE 322.A N VAL 318.A O no hydrogen 2.830 N/A ALA 323.A N ASN 319.A O no hydrogen 2.831 N/A THR 324.A N ALA 321.A O no hydrogen 3.171 N/A THR 324.A OG1 ALA 320.A O no hydrogen 2.987 N/A THR 324.A OG1 ALA 321.A O no hydrogen 3.289 N/A ILE 325.A N ALA 321.A O no hydrogen 3.140 N/A LYS 326.A N ILE 322.A O no hydrogen 3.272 N/A LYS 326.A N ALA 323.A O no hydrogen 3.275 N/A LYS 328.A N THR 324.A O no hydrogen 3.196 N/A ARG 329.A NH1 ASN 283.A O no hydrogen 3.393 N/A ARG 329.A NH2 ASN 283.A O no hydrogen 3.348 N/A VAL 334.A N TYR 302.A O no hydrogen 2.983 N/A CYS 337.A SG MET 303.A O no hydrogen 3.432 N/A PHE 341.A N CYS 305.A O no hydrogen 2.894 N/A LYS 342.A N CYS 305.A O no hydrogen 3.181 N/A GLY 344.A N LEU 307.A O no hydrogen 2.902 N/A ASN 346.A N TYR 309.A O no hydrogen 3.233 N/A GLY 356.A N VAL 353.A O no hydrogen 2.855 N/A ALA 359.A N ILE 266.A O no hydrogen 2.910 N/A ALA 364.A N ARG 310.A O no hydrogen 3.007 N/A LEU 368.A N CYS 306.A O no hydrogen 2.907 N/A SER 369.A N LEU 259.A O no hydrogen 3.097 N/A SER 369.A OG LEU 259.A O no hydrogen 3.415 N/A ASN 370.A N ALA 304.A O no hydrogen 2.858 N/A ASN 370.A ND2 THR 371.A O no hydrogen 3.679 N/A THR 371.A OG1 LYS 301.A O no hydrogen 2.658 N/A THR 372.A N LYS 301.A O no hydrogen 3.032 N/A ALA 373.A N THR 371.A OG1 no hydrogen 2.976 N/A GLU 376.A N ALA 373.A O no hydrogen 3.039 N/A ARG 380.A N GLU 376.A O no hydrogen 3.024 N/A ARG 380.A NH2 ASP 195.A OD2 no hydrogen 3.534 N/A LEU 381.A N ALA 377.A O no hydrogen 3.091 N/A HIS 383.A N ALA 379.A O no hydrogen 2.697 N/A PHE 385.A N LEU 381.A O no hydrogen 3.194 N/A ASP 386.A N ASP 382.A O no hydrogen 2.560 N/A LEU 387.A N HIS 383.A O no hydrogen 3.222 N/A LEU 387.A N LYS 384.A O no hydrogen 2.776 N/A MET 388.A N LYS 384.A O no hydrogen 3.102 N/A MET 388.A N PHE 385.A O no hydrogen 2.697 N/A TYR 389.A N PHE 385.A O no hydrogen 3.041 N/A TYR 389.A OH GLU 405.A O no hydrogen 3.319 N/A ALA 390.A N ASP 386.A O no hydrogen 3.047 N/A LYS 391.A N MET 388.A O no hydrogen 2.626 N/A ARG 392.A N TYR 389.A O no hydrogen 2.822 N/A ARG 392.A NE TYR 389.A O no hydrogen 3.224 N/A PHE 394.A N TYR 175.A OH no hydrogen 3.492 N/A TRP 397.A N PHE 394.A O no hydrogen 2.965 N/A TYR 398.A N VAL 395.A O no hydrogen 2.713 N/A TYR 398.A OH ASN 176.A OD1 no hydrogen 2.506 N/A GLU 401.A N TRP 397.A O no hydrogen 3.332 N/A GLY 402.A N TYR 398.A O no hydrogen 3.002 N/A MET 403.A N TYR 398.A O no hydrogen 3.005 N/A GLU 407.A N GLU 404.A O no hydrogen 2.973 N/A GLU 410.A N GLY 406.A O no hydrogen 2.983 N/A ALA 411.A N GLU 407.A O no hydrogen 2.837 N/A ARG 412.A N PHE 408.A O no hydrogen 3.455 N/A ARG 412.A NE ASP 386.A OD1 no hydrogen 2.672 N/A ARG 412.A NH1 ARG 412.A O no hydrogen 3.323 N/A ARG 412.A NH2 ASP 386.A OD2 no hydrogen 3.159 N/A GLU 413.A N SER 409.A O no hydrogen 2.817 N/A ASP 414.A N ALA 411.A O no hydrogen 2.951 N/A MET 415.A N ALA 411.A O no hydrogen 3.370 N/A ALA 416.A N ARG 412.A O no hydrogen 2.863 N/A ALA 417.A N GLU 413.A O no hydrogen 3.435 N/A LEU 418.A N ASP 414.A O no hydrogen 2.791 N/A GLU 419.A N MET 415.A O no hydrogen 2.735 N/A LYS 420.A N ALA 416.A O no hydrogen 3.117 N/A ASP 421.A N ALA 417.A O no hydrogen 2.697 N/A TYR 422.A N LEU 418.A O no hydrogen 2.652 N/A GLU 423.A N GLU 419.A O no hydrogen 3.285 N/A GLU 424.A N LYS 420.A O no hydrogen 2.979 N/A GLU 424.A N ASP 421.A O no hydrogen 3.230 N/A VAL 425.A N TYR 422.A O no hydrogen 2.739 N/A GLY 426.A N GLU 423.A O no hydrogen 3.357 N/A