Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hkc_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N GLN 130.A OE1 no hydrogen 2.519 N/A GLU 2.A N GLN 130.A OE1 no hydrogen 3.242 N/A ILE 3.A N VAL 48.A O no hydrogen 3.154 N/A VAL 4.A N GLY 131.A O no hydrogen 3.293 N/A ILE 6.A N GLN 133.A O no hydrogen 2.786 N/A GLN 7.A N ILE 63.A O no hydrogen 2.766 N/A ALA 8.A N THR 135.A O no hydrogen 3.310 N/A GLY 9.A N VAL 65.A O no hydrogen 2.860 N/A ASN 13.A N GLY 9.A O no hydrogen 2.653 N/A ASN 13.A ND2 GLN 7.A OE1 no hydrogen 3.371 N/A GLN 14.A N GLN 10.A O no hydrogen 2.805 N/A ILE 15.A N CYS 11.A O no hydrogen 3.011 N/A GLY 16.A N GLY 12.A O no hydrogen 3.002 N/A ALA 17.A N ASN 13.A O no hydrogen 2.987 N/A LYS 18.A N GLN 14.A O no hydrogen 3.436 N/A PHE 19.A N ILE 15.A O no hydrogen 2.977 N/A TRP 20.A N GLY 16.A O no hydrogen 2.661 N/A VAL 22.A N LYS 18.A O no hydrogen 3.059 N/A VAL 22.A N PHE 19.A O no hydrogen 3.066 N/A ILE 23.A N PHE 19.A O no hydrogen 3.110 N/A SER 24.A N TRP 20.A O no hydrogen 2.837 N/A SER 24.A OG TYR 50.A OH no hydrogen 2.760 N/A ASP 25.A N GLU 21.A O no hydrogen 3.277 N/A ASP 25.A N VAL 22.A O no hydrogen 3.064 N/A GLU 26.A N VAL 22.A O no hydrogen 3.069 N/A HIS 27.A N ILE 23.A O no hydrogen 3.393 N/A GLY 28.A N SER 24.A O no hydrogen 2.878 N/A ASP 30.A N GLY 33.A O no hydrogen 3.256 N/A TYR 35.A OH SER 39.A O no hydrogen 2.131 N/A TYR 35.A OH GLN 42.A OE1 no hydrogen 2.669 N/A GLU 44.A N LEU 41.A O no hydrogen 2.834 N/A VAL 48.A N ARG 45.A O no hydrogen 3.024 N/A TYR 49.A N ILE 46.A O no hydrogen 3.356 N/A TYR 50.A OH SER 24.A OG no hydrogen 2.760 N/A ASN 51.A ND2 GLU 122.A OE1 no hydrogen 3.185 N/A ARG 61.A N TYR 49.A O no hydrogen 3.455 N/A ARG 61.A NH1 ASN 47.A O no hydrogen 3.005 N/A ARG 61.A NH2 ILE 3.A O no hydrogen 3.360 N/A ARG 61.A NH2 ASN 47.A O no hydrogen 3.300 N/A ILE 63.A N HIS 5.A O no hydrogen 2.749 N/A LEU 64.A N ASN 88.A O no hydrogen 3.228 N/A VAL 65.A N GLN 7.A O no hydrogen 3.224 N/A ASP 66.A N VAL 90.A O no hydrogen 3.268 N/A GLU 68.A N ASP 66.A OD1 no hydrogen 3.053 N/A THR 71.A OG1 ASP 66.A OD2 no hydrogen 3.182 N/A MET 72.A N PRO 69.A O no hydrogen 2.873 N/A VAL 75.A N MET 72.A O no hydrogen 2.852 N/A ARG 76.A N MET 72.A O no hydrogen 2.874 N/A SER 77.A N ASP 73.A O no hydrogen 2.996 N/A GLY 78.A N VAL 75.A O no hydrogen 2.975 N/A ASN 88.A N ARG 85.A O no hydrogen 2.951 N/A ASN 88.A ND2 GLU 122.A OE2 no hydrogen 3.342 N/A PHE 89.A N PRO 86.A O no hydrogen 3.434 N/A VAL 90.A N LEU 64.A O no hydrogen 2.730 N/A SER 94.A OG GLY 92.A O no hydrogen 3.208 N/A ASN 99.A ND2 TRP 388.A O no hydrogen 3.286 N/A TRP 100.A N ASN 183.A OD1 no hydrogen 2.616 N/A LYS 102.A N ASN 99.A OD1 no hydrogen 2.476 N/A GLY 103.A N ASN 99.A O no hydrogen 3.362 N/A HIS 104.A N TRP 100.A O no hydrogen 2.814 N/A HIS 104.A N ALA 101.A O no hydrogen 3.143 N/A HIS 104.A ND1 GLY 145.A O no hydrogen 2.900 N/A HIS 104.A ND1 THR 148.A OG1 no hydrogen 3.175 N/A TYR 105.A N ALA 101.A O no hydrogen 2.678 N/A TYR 105.A OH GLU 398.A OE2 no hydrogen 2.676 N/A THR 106.A OG1 GLU 392.A OE1 no hydrogen 2.635 N/A GLY 108.A N LYS 102.A O no hydrogen 2.998 N/A ALA 109.A N TYR 105.A O no hydrogen 3.300 N/A GLU 110.A N THR 106.A O no hydrogen 3.096 N/A LEU 111.A N GLY 108.A O no hydrogen 2.532 N/A VAL 112.A N GLY 108.A O no hydrogen 3.277 N/A SER 114.A N LEU 111.A O no hydrogen 3.066 N/A VAL 115.A N VAL 112.A O no hydrogen 2.959 N/A LEU 116.A N VAL 112.A O no hydrogen 2.766 N/A ASP 117.A N ASP 113.A O no hydrogen 2.536 N/A VAL 118.A N VAL 115.A O no hydrogen 2.669 N/A VAL 119.A N VAL 115.A O no hydrogen 2.920 N/A ARG 120.A N LEU 116.A O no hydrogen 2.627 N/A LYS 121.A N VAL 118.A O no hydrogen 2.941 N/A GLU 122.A N VAL 118.A O no hydrogen 3.153 N/A GLU 122.A N VAL 119.A O no hydrogen 3.203 N/A SER 123.A N VAL 119.A O no hydrogen 2.902 N/A GLU 124.A N ARG 120.A O no hydrogen 2.867 N/A SER 125.A N GLU 122.A O no hydrogen 3.221 N/A CYS 126.A N GLU 122.A O no hydrogen 2.936 N/A ASP 127.A N GLU 2.A OE1 no hydrogen 3.145 N/A CYS 128.A N GLU 2.A OE2 no hydrogen 2.914 N/A GLN 130.A N GLU 2.A O no hydrogen 2.623 N/A PHE 132.A N ILE 162.A O no hydrogen 3.196 N/A GLN 133.A N VAL 4.A O no hydrogen 3.130 N/A LEU 134.A N ASN 164.A O no hydrogen 2.878 N/A THR 135.A N ILE 6.A O no hydrogen 3.058 N/A THR 135.A OG1 GLY 12.A O no hydrogen 3.368 N/A HIS 136.A N PHE 166.A O no hydrogen 3.284 N/A SER 144.A OG LEU 138.A O no hydrogen 3.404 N/A SER 144.A OG GLY 140.A O no hydrogen 2.851 N/A GLY 145.A N GLY 141.A O no hydrogen 2.663 N/A MET 146.A N THR 142.A O no hydrogen 3.258 N/A THR 148.A N SER 144.A O no hydrogen 3.030 N/A THR 148.A OG1 HIS 104.A ND1 no hydrogen 3.175 N/A THR 148.A OG1 SER 144.A O no hydrogen 2.479 N/A THR 148.A OG1 GLY 145.A O no hydrogen 2.774 N/A LEU 149.A N GLY 145.A O no hydrogen 3.212 N/A LEU 150.A N MET 146.A O no hydrogen 2.453 N/A ILE 151.A N GLY 147.A O no hydrogen 2.972 N/A SER 152.A N THR 148.A O no hydrogen 3.232 N/A SER 152.A OG THR 148.A O no hydrogen 3.008 N/A LYS 153.A N LEU 150.A O no hydrogen 2.781 N/A ILE 154.A N LEU 150.A O no hydrogen 2.646 N/A ARG 155.A N ILE 151.A O no hydrogen 2.796 N/A ARG 155.A NH2 GLU 193.A O no hydrogen 3.537 N/A TYR 158.A N ILE 154.A O no hydrogen 2.759 N/A ASN 164.A N PHE 132.A O no hydrogen 3.042 N/A THR 165.A N GLU 197.A O no hydrogen 3.230 N/A THR 165.A OG1 SER 167.A OG no hydrogen 2.719 N/A THR 165.A OG1 THR 198.A OG1 no hydrogen 3.214 N/A PHE 166.A N LEU 134.A O no hydrogen 3.037 N/A SER 167.A N TYR 199.A O no hydrogen 3.391 N/A SER 167.A OG THR 165.A OG1 no hydrogen 2.719 N/A VAL 168.A N HIS 136.A O no hydrogen 3.102 N/A SER 171.A OG LYS 173.A O no hydrogen 2.886 N/A SER 171.A OG GLU 204.A OE1 no hydrogen 2.718 N/A LYS 173.A N SER 171.A OG no hydrogen 3.046 N/A LYS 173.A NZ GLU 204.A OE2 no hydrogen 2.985 N/A LYS 173.A NZ ASP 208.A OD2 no hydrogen 3.396 N/A SER 175.A OG GLU 180.A OE2 no hydrogen 2.955 N/A ASP 176.A N GLU 180.A OE2 no hydrogen 3.083 N/A THR 177.A N GLU 180.A OE2 no hydrogen 2.959 N/A THR 177.A OG1 ASN 98.A OD1 no hydrogen 2.639 N/A THR 177.A OG1 ASP 176.A OD2 no hydrogen 3.113 N/A GLU 180.A N THR 177.A O no hydrogen 2.977 N/A TYR 182.A N VAL 179.A O no hydrogen 2.761 N/A ASN 183.A ND2 ASN 98.A O no hydrogen 3.486 N/A ALA 184.A N GLU 180.A O no hydrogen 2.783 N/A THR 185.A N PRO 181.A O no hydrogen 2.799 N/A THR 185.A OG1 PRO 181.A O no hydrogen 2.664 N/A LEU 186.A N TYR 182.A O no hydrogen 3.071 N/A SER 187.A N ASN 183.A O no hydrogen 3.275 N/A SER 187.A N ALA 184.A O no hydrogen 2.927 N/A SER 187.A OG SER 144.A O no hydrogen 3.493 N/A SER 187.A OG ASN 183.A O no hydrogen 3.205 N/A VAL 188.A N ALA 184.A O no hydrogen 2.770 N/A HIS 189.A N THR 185.A O no hydrogen 3.191 N/A GLN 190.A N LEU 186.A O no hydrogen 3.441 N/A LEU 191.A N SER 187.A O no hydrogen 2.534 N/A VAL 192.A N VAL 188.A O no hydrogen 2.935 N/A GLU 193.A N GLN 190.A O no hydrogen 3.167 N/A ASN 194.A N GLN 190.A O no hydrogen 3.239 N/A ASN 194.A N LEU 191.A O no hydrogen 2.841 N/A ASN 194.A ND2 GLN 190.A O no hydrogen 3.592 N/A THR 195.A N LEU 191.A O no hydrogen 2.971 N/A THR 195.A OG1 LEU 191.A O no hydrogen 2.711 N/A ASP 196.A N MET 163.A O no hydrogen 2.886 N/A GLU 197.A N MET 163.A O no hydrogen 3.311 N/A THR 198.A N HIS 263.A O no hydrogen 2.971 N/A THR 198.A OG1 THR 165.A OG1 no hydrogen 3.214 N/A TYR 199.A N THR 165.A O no hydrogen 2.910 N/A SER 200.A N PHE 265.A O no hydrogen 2.768 N/A SER 200.A OG PHE 265.A O no hydrogen 3.517 N/A ILE 201.A N SER 167.A O no hydrogen 3.322 N/A ASP 202.A N MET 291.A O no hydrogen 3.072 N/A ASN 203.A N MET 169.A O no hydrogen 3.335 N/A GLU 204.A N ASP 202.A OD1 no hydrogen 3.065 N/A LEU 206.A N ASP 202.A O no hydrogen 2.997 N/A TYR 207.A N ASN 203.A O no hydrogen 2.706 N/A ILE 209.A N ALA 205.A O no hydrogen 2.788 N/A CYS 210.A N TYR 207.A O no hydrogen 3.092 N/A CYS 210.A SG LEU 206.A O no hydrogen 3.319 N/A PHE 211.A N ASP 208.A O no hydrogen 3.268 N/A ARG 212.A N ASP 208.A O no hydrogen 2.803 N/A LEU 216.A N CYS 210.A O no hydrogen 3.058 N/A THR 220.A N ASP 223.A OD1 no hydrogen 2.807 N/A THR 220.A OG1 ASP 223.A OD1 no hydrogen 2.391 N/A ASN 225.A N GLY 222.A O no hydrogen 2.461 N/A HIS 226.A N GLY 222.A O no hydrogen 3.291 N/A SER 229.A N ASN 225.A O no hydrogen 3.068 N/A SER 229.A OG ASN 225.A O no hydrogen 3.245 N/A SER 229.A OG HIS 226.A O no hydrogen 2.584 N/A ALA 230.A N HIS 226.A O no hydrogen 3.160 N/A THR 231.A N LEU 227.A O no hydrogen 2.770 N/A THR 231.A OG1 LEU 227.A O no hydrogen 3.191 N/A MET 232.A N VAL 228.A O no hydrogen 2.793 N/A SER 233.A N SER 229.A O no hydrogen 3.136 N/A SER 233.A OG GLU 26.A OE2 no hydrogen 2.851 N/A GLY 234.A N ALA 230.A O no hydrogen 3.202 N/A VAL 235.A N THR 231.A O no hydrogen 2.779 N/A THR 236.A N MET 232.A O no hydrogen 2.879 N/A THR 236.A OG1 MET 232.A O no hydrogen 2.551 N/A THR 236.A OG1 SER 233.A O no hydrogen 2.791 N/A THR 237.A N SER 233.A O no hydrogen 3.012 N/A THR 237.A OG1 GLY 234.A O no hydrogen 2.488 N/A LEU 239.A N THR 236.A O no hydrogen 2.542 N/A ARG 240.A N THR 237.A O no hydrogen 2.866 N/A ARG 240.A NE THR 236.A OG1 no hydrogen 2.939 N/A ARG 240.A NH1 HIS 27.A NE2 no hydrogen 3.124 N/A ARG 240.A NH2 GLU 26.A OE2 no hydrogen 2.629 N/A ARG 240.A NH2 SER 233.A O no hydrogen 3.401 N/A ALA 253.A N LEU 249.A O no hydrogen 3.192 N/A VAL 254.A N ARG 250.A O no hydrogen 2.942 N/A ASN 255.A N LYS 251.A O no hydrogen 3.204 N/A MET 256.A N LEU 252.A O no hydrogen 2.953 N/A MET 256.A N ALA 253.A O no hydrogen 2.753 N/A VAL 257.A N ALA 253.A O no hydrogen 3.124 N/A ARG 261.A NH2 ASN 405.A OD1 no hydrogen 3.317 N/A LEU 262.A N PHE 259.A O no hydrogen 2.726 N/A PHE 264.A N LEU 262.A O no hydrogen 2.792 N/A PHE 265.A N THR 198.A O no hydrogen 3.007 N/A MET 266.A N GLY 360.A O no hydrogen 2.792 N/A LEU 280.A N VAL 277.A O no hydrogen 3.123 N/A THR 281.A N PRO 278.A O no hydrogen 2.726 N/A THR 281.A OG1 VAL 277.A O no hydrogen 2.618 N/A GLN 282.A N PRO 278.A O no hydrogen 3.210 N/A MET 284.A N THR 281.A O no hydrogen 3.103 N/A PHE 285.A N THR 281.A O no hydrogen 3.161 N/A MET 290.A N SER 287.A O no hydrogen 2.929 N/A MET 291.A N PRO 267.A O no hydrogen 2.477 N/A CYS 294.A N ALA 292.A O no hydrogen 2.990 N/A ARG 297.A N ASP 295.A O no hydrogen 2.075 N/A TYR 301.A N TYR 331.A O no hydrogen 3.296 N/A LEU 302.A N ASN 361.A O no hydrogen 2.808 N/A THR 303.A OG1 MET 256.A O no hydrogen 2.752 N/A VAL 304.A N ASN 339.A O no hydrogen 3.008 N/A ALA 305.A N ILE 359.A O no hydrogen 3.250 N/A ALA 306.A N LYS 341.A O no hydrogen 3.139 N/A VAL 307.A N THR 357.A O no hydrogen 2.833 N/A PHE 308.A N ALA 343.A O no hydrogen 2.892 N/A ARG 309.A N SER 355.A O no hydrogen 3.252 N/A ARG 309.A NE ILE 347.A O no hydrogen 3.090 N/A GLY 310.A N CYS 345.A O no hydrogen 2.762 N/A GLU 316.A N SER 313.A O no hydrogen 3.258 N/A ASP 318.A N MET 314.A O no hydrogen 2.738 N/A GLN 320.A N GLU 316.A O no hydrogen 3.039 N/A MET 321.A N VAL 317.A O no hydrogen 2.990 N/A LEU 322.A N ASP 318.A O no hydrogen 2.869 N/A ASN 323.A N GLN 320.A O no hydrogen 2.927 N/A VAL 324.A N GLN 320.A O no hydrogen 3.140 N/A GLN 325.A N MET 321.A O no hydrogen 3.362 N/A ASN 326.A N ASN 323.A O no hydrogen 2.805 N/A ASN 326.A ND2 LEU 322.A O no hydrogen 2.927 N/A LYS 327.A N ASN 323.A O no hydrogen 2.942 N/A TYR 331.A N ASN 328.A O no hydrogen 2.510 N/A PHE 332.A N SER 330.A O no hydrogen 2.982 N/A GLU 334.A N GLU 334.A OE1 no hydrogen 2.713 N/A LYS 341.A N VAL 304.A O no hydrogen 3.266 N/A LYS 341.A NZ ASN 338.A O no hydrogen 2.781 N/A ALA 343.A N ALA 306.A O no hydrogen 2.930 N/A CYS 345.A N PHE 308.A O no hydrogen 2.814 N/A SER 355.A N ARG 309.A O no hydrogen 3.260 N/A THR 357.A N VAL 307.A O no hydrogen 2.766 N/A PHE 358.A N GLY 268.A O no hydrogen 2.950 N/A ILE 359.A N ALA 305.A O no hydrogen 2.815 N/A ASN 361.A N THR 303.A O no hydrogen 3.118 N/A ASN 361.A ND2 LEU 262.A O no hydrogen 3.579 N/A SER 362.A N GLY 360.A O no hydrogen 2.994 N/A SER 362.A OG ARG 300.A O no hydrogen 3.114 N/A THR 363.A N ARG 300.A O no hydrogen 3.191 N/A THR 363.A OG1 ARG 300.A O no hydrogen 3.390 N/A ALA 364.A N SER 362.A OG no hydrogen 3.137 N/A ILE 365.A N SER 362.A O no hydrogen 3.072 N/A GLN 366.A N THR 363.A O no hydrogen 3.166 N/A GLU 367.A N ALA 364.A O no hydrogen 2.854 N/A LEU 368.A N ILE 365.A O no hydrogen 2.760 N/A LYS 370.A N GLN 366.A O no hydrogen 3.016 N/A ARG 371.A N GLU 367.A O no hydrogen 3.343 N/A ARG 371.A N LEU 368.A O no hydrogen 2.943 N/A ARG 371.A NH1 ASP 202.A OD1 no hydrogen 2.991 N/A ARG 371.A NH2 ASP 202.A OD1 no hydrogen 3.542 N/A ILE 372.A N LEU 368.A O no hydrogen 3.170 N/A SER 373.A N PHE 369.A O no hydrogen 2.884 N/A SER 373.A OG ASN 407.A OD1 no hydrogen 3.106 N/A GLN 375.A N ILE 372.A O no hydrogen 3.073 N/A GLN 375.A NE2 ARG 371.A O no hydrogen 3.305 N/A THR 377.A N SER 373.A O no hydrogen 3.113 N/A THR 377.A OG1 SER 373.A O no hydrogen 2.797 N/A MET 379.A N PHE 376.A O no hydrogen 2.841 N/A PHE 380.A N PHE 376.A O no hydrogen 2.744 N/A ARG 381.A N THR 377.A O no hydrogen 3.281 N/A ARG 381.A NE THR 377.A O no hydrogen 3.214 N/A ARG 381.A NH2 THR 377.A O no hydrogen 2.994 N/A LYS 383.A N PHE 380.A O no hydrogen 2.972 N/A ALA 384.A N MET 379.A O no hydrogen 3.179 N/A TRP 388.A N PHE 385.A O no hydrogen 2.934 N/A TYR 389.A N LEU 386.A O no hydrogen 2.597 N/A TYR 389.A OH ASN 183.A OD1 no hydrogen 3.096 N/A THR 390.A N LEU 386.A O no hydrogen 2.917 N/A GLY 391.A N HIS 387.A O no hydrogen 3.357 N/A GLU 392.A N TYR 389.A O no hydrogen 2.773 N/A GLY 393.A N THR 390.A O no hydrogen 3.170 N/A GLU 398.A N ASP 395.A O no hydrogen 3.198 N/A GLU 401.A N MET 397.A O no hydrogen 2.641 N/A ALA 402.A N PHE 399.A O no hydrogen 2.970 N/A GLU 403.A N PHE 399.A O no hydrogen 3.058 N/A SER 404.A N THR 400.A O no hydrogen 2.860 N/A ASN 405.A ND2 GLU 193.A OE2 no hydrogen 2.919 N/A MET 406.A N ALA 402.A O no hydrogen 2.700 N/A ASN 407.A N GLU 403.A O no hydrogen 2.661 N/A ASP 408.A N SER 404.A O no hydrogen 3.233 N/A LEU 409.A N ASN 405.A O no hydrogen 3.477 N/A VAL 410.A N MET 406.A O no hydrogen 3.093 N/A SER 411.A N ASN 407.A O no hydrogen 3.443 N/A TYR 413.A N VAL 410.A O no hydrogen 3.160 N/A TYR 413.A OH LEU 262.A O no hydrogen 3.069 N/A GLN 414.A N VAL 410.A O no hydrogen 3.144 N/A TYR 416.A N GLU 412.A O no hydrogen 3.079 N/A GLN 417.A NE2 THR 363.A OG1 no hydrogen 2.513 N/A