Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k1n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 42.A OE1 no hydrogen 3.219 N/A MET 1.A N GLU 42.A OE2 no hydrogen 3.344 N/A GLU 2.A N HIS 5.A ND1 no hydrogen 2.901 N/A HIS 5.A N GLU 2.A O no hydrogen 3.145 N/A ARG 7.A N LEU 3.A O no hydrogen 2.900 N/A TYR 8.A N ARG 4.A O no hydrogen 2.684 N/A PHE 9.A N HIS 5.A O no hydrogen 2.831 N/A VAL 10.A N LEU 6.A O no hydrogen 2.734 N/A ALA 11.A N ARG 7.A O no hydrogen 3.304 N/A VAL 13.A N VAL 10.A O no hydrogen 3.319 N/A GLU 14.A N VAL 10.A O no hydrogen 2.966 N/A GLU 15.A N ALA 11.A O no hydrogen 2.833 N/A SER 17.A N GLU 15.A O no hydrogen 2.899 N/A ALA 21.A N SER 17.A O no hydrogen 3.055 N/A ALA 22.A N PHE 18.A O no hydrogen 3.177 N/A ASP 23.A N THR 19.A O no hydrogen 3.071 N/A CYS 26.A N ASP 23.A O no hydrogen 3.277 N/A CYS 26.A SG ASP 23.A O no hydrogen 3.890 N/A ILE 27.A N ALA 22.A O no hydrogen 3.307 N/A SER 33.A N GLN 29.A O no hydrogen 3.129 N/A GLN 35.A N PRO 31.A O no hydrogen 2.996 N/A ILE 36.A N LEU 32.A O no hydrogen 3.253 N/A GLN 37.A N SER 33.A O no hydrogen 3.070 N/A ASN 38.A N ARG 34.A O no hydrogen 2.580 N/A LEU 39.A N GLN 35.A O no hydrogen 3.040 N/A LEU 43.A N LEU 39.A O no hydrogen 3.222 N/A ILE 45.A N GLU 40.A O no hydrogen 2.829 N/A LEU 47.A N GLU 40.A OE2 no hydrogen 2.873 N/A LEU 48.A N GLU 40.A OE2 no hydrogen 3.358 N/A GLU 49.A N LYS 56.A O no hydrogen 3.428 N/A SER 52.A N GLU 49.A O no hydrogen 3.286 N/A THR 58.A N LEU 47.A O no hydrogen 3.412 N/A GLU 60.A N GLU 60.A OE2 no hydrogen 2.684 N/A GLY 61.A N THR 58.A OG1 no hydrogen 3.320 N/A HIS 62.A N THR 58.A O no hydrogen 2.812 N/A PHE 63.A N PRO 59.A O no hydrogen 3.475 N/A PHE 64.A N GLU 60.A O no hydrogen 3.258 N/A TYR 65.A N GLY 61.A O no hydrogen 3.051 N/A GLN 66.A N HIS 62.A O no hydrogen 3.250 N/A TYR 67.A N PHE 63.A O no hydrogen 3.071 N/A ALA 68.A N PHE 64.A O no hydrogen 2.670 N/A ILE 69.A N TYR 65.A O no hydrogen 2.783 N/A LYS 70.A N GLN 66.A O no hydrogen 3.276 N/A LYS 70.A N TYR 67.A O no hydrogen 3.231 N/A LEU 71.A N TYR 67.A O no hydrogen 2.979 N/A LEU 72.A N ALA 68.A O no hydrogen 2.849 N/A SER 73.A N ILE 69.A O no hydrogen 3.225 N/A ASN 74.A N LYS 70.A O no hydrogen 3.108 N/A ASN 74.A N LEU 71.A O no hydrogen 2.789 N/A VAL 75.A N LEU 71.A O no hydrogen 3.003 N/A ASP 76.A N LEU 72.A O no hydrogen 3.383 N/A GLN 77.A N SER 73.A O no hydrogen 3.368 N/A MET 78.A N ASN 74.A O no hydrogen 2.680 N/A VAL 79.A N VAL 75.A O no hydrogen 2.914 N/A SER 80.A N ASP 76.A O no hydrogen 2.792 N/A MET 81.A N GLN 77.A O no hydrogen 2.833 N/A THR 82.A N MET 78.A O no hydrogen 3.148 N/A THR 82.A OG1 MET 78.A O no hydrogen 2.331 N/A ARG 84.A N MET 81.A O no hydrogen 3.219 N/A ARG 84.A NH2 GLN 114.A O no hydrogen 3.354 N/A ILE 92.A N ARG 120.A O no hydrogen 3.068 N/A ARG 93.A N ASP 141.A OD2 no hydrogen 3.173 N/A ILE 94.A N GLU 122.A O no hydrogen 2.890 N/A GLY 95.A N ALA 142.A O no hydrogen 2.939 N/A PHE 96.A N TYR 124.A O no hydrogen 3.040 N/A VAL 97.A N PHE 144.A O no hydrogen 3.171 N/A LEU 100.A N VAL 97.A O no hydrogen 2.909 N/A LEU 101.A N GLY 98.A O no hydrogen 2.999 N/A GLY 103.A N LEU 100.A O no hydrogen 3.291 N/A ILE 108.A N LEU 104.A O no hydrogen 3.052 N/A ILE 109.A N LEU 105.A O no hydrogen 2.859 N/A HIS 110.A N PRO 106.A O no hydrogen 2.821 N/A LEU 111.A N ARG 107.A O no hydrogen 3.055 N/A TYR 112.A N ILE 108.A O no hydrogen 2.888 N/A TYR 112.A OH TYR 281.A O no hydrogen 2.722 N/A ARG 113.A N ILE 109.A O no hydrogen 3.005 N/A GLN 114.A N LEU 111.A O no hydrogen 3.276 N/A ALA 115.A N LEU 111.A O no hydrogen 3.336 N/A HIS 116.A N TYR 112.A O no hydrogen 3.173 N/A LEU 119.A N HIS 116.A O no hydrogen 3.249 N/A ARG 120.A N LYS 90.A O no hydrogen 2.964 N/A ARG 120.A NE GLU 122.A OE2 no hydrogen 2.916 N/A ARG 120.A NH2 GLU 122.A OE2 no hydrogen 3.454 N/A GLU 122.A N ILE 92.A O no hydrogen 3.040 N/A TYR 124.A N ILE 94.A O no hydrogen 2.796 N/A TYR 124.A OH GLU 122.A OE1 no hydrogen 3.277 N/A MET 126.A N PHE 96.A O no hydrogen 2.703 N/A GLN 131.A N GLY 127.A O no hydrogen 2.884 N/A GLN 131.A NE2 MET 126.A O no hydrogen 3.104 N/A GLN 131.A NE2 PHE 144.A O no hydrogen 2.900 N/A THR 132.A N THR 128.A O no hydrogen 2.880 N/A THR 132.A OG1 THR 128.A O no hydrogen 2.994 N/A GLU 133.A N LYS 129.A O no hydrogen 3.337 N/A LEU 135.A N GLN 131.A O no hydrogen 2.872 N/A LEU 135.A N THR 132.A O no hydrogen 2.915 N/A LYS 136.A N THR 132.A O no hydrogen 2.946 N/A GLY 138.A N LEU 135.A O no hydrogen 3.334 N/A ARG 139.A NE GLU 137.A OE1 no hydrogen 3.046 N/A ARG 139.A NH2 GLU 137.A OE1 no hydrogen 2.879 N/A ILE 140.A N ALA 134.A O no hydrogen 3.136 N/A ASP 141.A N ARG 93.A O no hydrogen 2.757 N/A GLY 143.A N ALA 272.A O no hydrogen 2.820 N/A PHE 144.A N GLY 95.A O no hydrogen 2.649 N/A GLY 145.A N TYR 270.A O no hydrogen 2.779 N/A ARG 146.A NE SER 99.A OG no hydrogen 2.756 N/A ARG 146.A NH1 GLU 162.A OE1 no hydrogen 3.018 N/A ARG 146.A NH2 GLU 162.A OE1 no hydrogen 2.697 N/A LYS 155.A N VAL 273.A O no hydrogen 2.766 N/A LYS 155.A NZ ASN 303.A O no hydrogen 3.521 N/A ARG 156.A NH1 ILE 149.A O no hydrogen 3.232 N/A THR 157.A N ILE 271.A O no hydrogen 3.115 N/A LEU 159.A N ILE 269.A O no hydrogen 2.735 N/A ARG 160.A N ILE 269.A O no hydrogen 3.477 N/A ASN 161.A ND2 ARG 160.A O no hydrogen 3.372 N/A GLU 162.A N THR 267.A O no hydrogen 2.924 N/A ARG 163.A NH1 ASP 262.A O no hydrogen 3.107 N/A ARG 163.A NH1 PRO 263.A O no hydrogen 3.132 N/A ARG 163.A NH2 LEU 260.A O no hydrogen 2.498 N/A ARG 163.A NH2 ASP 262.A O no hydrogen 2.825 N/A LEU 164.A N ALA 265.A O no hydrogen 2.877 N/A MET 165.A N VAL 243.A O no hydrogen 2.685 N/A VAL 166.A N VAL 258.A O no hydrogen 2.700 N/A ALA 167.A N SER 241.A O no hydrogen 2.539 N/A VAL 168.A N SER 256.A O no hydrogen 2.901 N/A HIS 169.A ND1 SER 171.A OG no hydrogen 2.756 N/A ALA 170.A N ASN 254.A O no hydrogen 2.697 N/A SER 171.A N HIS 169.A ND1 no hydrogen 3.141 N/A SER 171.A OG HIS 169.A ND1 no hydrogen 2.756 N/A HIS 172.A N HIS 169.A O no hydrogen 2.697 N/A HIS 172.A NE2 GLU 190.A OE1 no hydrogen 2.793 N/A LEU 174.A N HIS 172.A ND1 no hydrogen 3.124 N/A ASN 175.A N HIS 172.A O no hydrogen 3.081 N/A ASN 175.A ND2 ALA 170.A O no hydrogen 2.846 N/A GLN 176.A N PRO 173.A O no hydrogen 2.848 N/A MET 177.A N LEU 174.A O no hydrogen 2.795 N/A LYS 180.A N MET 177.A O no hydrogen 3.473 N/A GLY 181.A N MET 177.A O no hydrogen 2.630 N/A VAL 182.A N PRO 259.A O no hydrogen 2.976 N/A HIS 183.A N ASP 186.A OD2 no hydrogen 2.842 N/A LEU 184.A N ASP 262.A OD1 no hydrogen 3.479 N/A LEU 184.A N ASP 262.A OD2 no hydrogen 3.010 N/A ASP 186.A N HIS 183.A O no hydrogen 2.882 N/A LEU 187.A N LEU 184.A O no hydrogen 2.710 N/A ILE 188.A N ASN 185.A O no hydrogen 3.097 N/A GLU 190.A N LEU 187.A O no hydrogen 3.038 N/A LYS 191.A NZ ASP 189.A O no hydrogen 3.271 N/A ILE 192.A N LYS 220.A O no hydrogen 2.941 N/A LEU 193.A N ILE 240.A O no hydrogen 2.770 N/A LEU 194.A N ASN 222.A O no hydrogen 2.684 N/A SER 197.A N ARG 225.A O no hydrogen 3.334 N/A SER 198.A OG PRO 199.A O no hydrogen 3.377 N/A ASN 202.A N THR 205.A OG1 no hydrogen 3.076 N/A ASN 202.A ND2 PRO 199.A O no hydrogen 3.495 N/A SER 204.A N ASN 202.A OD1 no hydrogen 3.031 N/A SER 204.A OG ASN 202.A OD1 no hydrogen 2.474 N/A SER 204.A OG GLU 223.A OE2 no hydrogen 2.630 N/A THR 205.A OG1 ASN 202.A O no hydrogen 3.156 N/A HIS 206.A N ASN 202.A O no hydrogen 3.321 N/A HIS 206.A NE2 ILE 266.A O no hydrogen 2.820 N/A VAL 207.A N PHE 203.A O no hydrogen 3.049 N/A MET 208.A N SER 204.A O no hydrogen 2.905 N/A ASN 209.A N THR 205.A O no hydrogen 2.788 N/A ILE 210.A N HIS 206.A O no hydrogen 2.678 N/A PHE 211.A N VAL 207.A O no hydrogen 2.951 N/A SER 212.A N MET 208.A O no hydrogen 3.142 N/A ASP 213.A N ASN 209.A O no hydrogen 2.876 N/A HIS 214.A N PHE 211.A O no hydrogen 3.209 N/A HIS 214.A ND1 ILE 210.A O no hydrogen 2.645 N/A GLY 215.A N SER 212.A O no hydrogen 2.939 N/A LEU 216.A N PHE 211.A O no hydrogen 2.907 N/A LYS 220.A NZ ASP 189.A O no hydrogen 2.738 N/A ILE 221.A N THR 219.A O no hydrogen 2.966 N/A ASN 222.A N ILE 192.A O no hydrogen 3.110 N/A VAL 224.A N LEU 194.A O no hydrogen 2.574 N/A GLN 228.A N GLN 228.A OE1 no hydrogen 2.914 N/A ALA 230.A N GLU 226.A O no hydrogen 2.790 N/A LEU 231.A N VAL 227.A O no hydrogen 2.888 N/A GLY 232.A N GLN 228.A O no hydrogen 2.588 N/A LEU 233.A N LEU 229.A O no hydrogen 2.680 N/A VAL 234.A N ALA 230.A O no hydrogen 2.991 N/A ALA 235.A N LEU 231.A O no hydrogen 2.900 N/A ALA 236.A N GLY 232.A O no hydrogen 2.818 N/A GLY 237.A N VAL 234.A O no hydrogen 3.079 N/A GLU 238.A N LEU 233.A O no hydrogen 2.784 N/A ILE 240.A N LYS 191.A O no hydrogen 2.637 N/A SER 241.A N ALA 167.A O no hydrogen 3.065 N/A SER 241.A OG LEU 193.A O no hydrogen 2.437 N/A VAL 243.A N MET 165.A O no hydrogen 2.748 N/A ALA 245.A N ARG 163.A O no hydrogen 2.878 N/A SER 246.A N GLU 162.A OE2 no hydrogen 2.639 N/A SER 246.A OG GLU 162.A OE1 no hydrogen 3.285 N/A SER 246.A OG GLU 162.A OE2 no hydrogen 2.499 N/A THR 247.A N PRO 244.A O no hydrogen 3.007 N/A THR 247.A OG1 PRO 244.A O no hydrogen 3.439 N/A GLN 248.A N ALA 245.A O no hydrogen 3.154 N/A SER 249.A N SER 246.A O no hydrogen 3.033 N/A SER 249.A OG PHE 102.A O no hydrogen 3.116 N/A SER 249.A OG SER 246.A O no hydrogen 2.985 N/A ILE 250.A N THR 247.A O no hydrogen 2.834 N/A GLN 251.A NE2 GLN 248.A O no hydrogen 2.957 N/A ASN 254.A ND2 HIS 169.A NE2 no hydrogen 3.357 N/A LEU 255.A N LEU 252.A O no hydrogen 2.898 N/A SER 256.A N VAL 168.A O no hydrogen 2.866 N/A SER 256.A OG ASN 175.A OD1 no hydrogen 3.072 N/A TYR 257.A OH ILE 250.A O no hydrogen 2.848 N/A VAL 258.A N VAL 166.A O no hydrogen 2.725 N/A LEU 261.A N VAL 182.A O no hydrogen 2.488 N/A ALA 265.A N ASP 262.A O no hydrogen 3.318 N/A ILE 266.A N ASP 264.A O no hydrogen 2.752 N/A THR 267.A N GLU 162.A O no hydrogen 2.645 N/A ILE 269.A N ARG 160.A O no hydrogen 2.779 N/A TYR 270.A N GLY 145.A O no hydrogen 2.915 N/A ALA 272.A N GLY 143.A O no hydrogen 2.655 N/A VAL 273.A N LYS 155.A O no hydrogen 2.801 N/A ARG 274.A NH1 LEU 135.A O no hydrogen 2.729 N/A ARG 274.A NH1 ILE 140.A O no hydrogen 3.043 N/A ARG 274.A NH2 ASP 141.A OD1 no hydrogen 2.845 N/A ARG 274.A NH2 GLU 277.A OE1 no hydrogen 3.330 N/A ASN 275.A N ALA 153.A O no hydrogen 3.330 N/A SER 279.A N GLU 277.A OE2 no hydrogen 3.385 N/A TYR 283.A N SER 279.A O no hydrogen 2.916 N/A SER 284.A N THR 280.A O no hydrogen 2.720 N/A LEU 285.A N TYR 281.A O no hydrogen 2.834 N/A TYR 286.A N ILE 282.A O no hydrogen 2.813 N/A GLU 287.A N TYR 283.A O no hydrogen 3.024 N/A THR 288.A N SER 284.A O no hydrogen 3.040 N/A THR 288.A OG1 SER 284.A O no hydrogen 2.804 N/A THR 288.A OG1 LEU 285.A O no hydrogen 3.565 N/A ILE 289.A N LEU 285.A O no hydrogen 3.179 N/A ARG 290.A N TYR 286.A O no hydrogen 3.102 N/A ARG 290.A NE GLU 287.A OE1 no hydrogen 3.063 N/A GLN 291.A N GLU 287.A O no hydrogen 2.630 N/A ILE 292.A N THR 288.A O no hydrogen 2.649 N/A TYR 293.A N ILE 289.A O no hydrogen 2.540 N/A ALA 294.A N ARG 290.A O no hydrogen 2.794 N/A TYR 295.A N GLN 291.A O no hydrogen 3.088 N/A GLU 296.A N ILE 292.A O no hydrogen 3.018 N/A GLY 297.A N ALA 294.A O no hydrogen 2.957 N/A PHE 298.A N TYR 293.A O no hydrogen 2.851 N/A