Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pxk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASN 3.A OD1 no hydrogen 2.638 N/A GLN 5.A N ARG 22.A O no hydrogen 2.776 N/A VAL 7.A N LYS 20.A O no hydrogen 3.081 N/A LYS 9.A NZ GLU 12.A OE1 no hydrogen 2.964 N/A GLY 11.A N VAL 18.A O no hydrogen 3.182 N/A GLY 13.A N GLY 16.A O no hydrogen 2.779 N/A TYR 15.A OH ASP 137.A OD2 no hydrogen 3.425 N/A VAL 18.A N GLY 11.A O no hydrogen 2.585 N/A TYR 19.A N LEU 32.A O no hydrogen 2.877 N/A LYS 20.A N GLU 8.A O no hydrogen 2.976 N/A ALA 21.A N VAL 30.A O no hydrogen 2.792 N/A ARG 22.A N GLN 5.A O no hydrogen 2.893 N/A ARG 22.A NE GLY 27.A O no hydrogen 2.933 N/A ARG 22.A NH2 GLY 27.A O no hydrogen 2.427 N/A ASN 23.A N GLU 28.A O no hydrogen 2.963 N/A LYS 24.A NZ GLU 2.A O no hydrogen 2.434 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.243 N/A THR 26.A OG1 GLU 28.A OE1 no hydrogen 2.490 N/A GLY 27.A N ASN 23.A O no hydrogen 2.382 N/A VAL 30.A N ALA 21.A O no hydrogen 2.965 N/A ALA 31.A N PHE 72.A O no hydrogen 2.588 N/A LEU 32.A N TYR 19.A O no hydrogen 2.756 N/A LYS 33.A N LEU 70.A O no hydrogen 2.692 N/A LYS 33.A NZ.A ASP 137.A OD2 no hydrogen 2.966 N/A LYS 33.A NZ.B ASP 137.A OD1 no hydrogen 2.468 N/A LYS 33.A NZ.B ASP 137.A OD2 no hydrogen 3.516 N/A LYS 34.A N VAL 17.A O no hydrogen 3.443 N/A ILE 35.A N LEU 68.A O no hydrogen 2.568 N/A VAL 36.A N ASN 66.A OD1 no hydrogen 2.975 N/A ARG 42.A N SER 38.A O no hydrogen 3.055 N/A ARG 42.A NH1 SER 38.A OG no hydrogen 2.703 N/A GLU 43.A N THR 39.A O no hydrogen 3.051 N/A ILE 44.A N ALA 40.A O no hydrogen 2.669 N/A SER 45.A N ILE 41.A O no hydrogen 2.678 N/A SER 45.A OG ILE 41.A O no hydrogen 2.676 N/A LEU 46.A N ARG 42.A O no hydrogen 3.099 N/A LEU 46.A N GLU 43.A O no hydrogen 2.771 N/A LEU 47.A N GLU 43.A O no hydrogen 3.302 N/A LYS 48.A N SER 45.A O no hydrogen 3.140 N/A GLU 49.A N LEU 46.A O no hydrogen 3.425 N/A LEU 50.A N LEU 47.A O no hydrogen 2.939 N/A ASN 54.A ND2 GLN 102.A OE1 no hydrogen 3.091 N/A ASN 54.A ND2 ILE 133.A O no hydrogen 2.720 N/A ILE 55.A N HIS 52.A O no hydrogen 2.904 N/A VAL 56.A N LEU 135.A O no hydrogen 2.887 N/A LYS 57.A N GLU 73.A OE2 no hydrogen 3.006 N/A ASP 60.A N VAL 71.A O no hydrogen 3.316 N/A ILE 62.A N TYR 69.A O no hydrogen 2.872 N/A THR 64.A N LYS 67.A O no hydrogen 3.234 N/A THR 64.A OG1 LYS 67.A O no hydrogen 3.569 N/A LEU 68.A N ILE 35.A O no hydrogen 3.182 N/A TYR 69.A N ILE 62.A O no hydrogen 2.668 N/A LEU 70.A N LYS 33.A O no hydrogen 2.669 N/A VAL 71.A N ASP 60.A O no hydrogen 3.058 N/A PHE 72.A N ALA 31.A O no hydrogen 2.560 N/A GLU 73.A N LYS 57.A O no hydrogen 3.056 N/A LEU 79.A N LEU 125.A O no hydrogen 2.840 N/A LYS 80.A NZ ASP 84.A OD1 no hydrogen 2.824 N/A LYS 80.A NZ ASP 84.A OD2 no hydrogen 3.383 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 2.682 N/A PHE 82.A N ASP 78.A O no hydrogen 3.078 N/A MET 83.A N LEU 79.A O no hydrogen 2.767 N/A ASP 84.A N LYS 80.A O no hydrogen 3.132 N/A ALA 85.A N LYS 81.A O no hydrogen 2.757 N/A SER 86.A N MET 83.A O no hydrogen 2.650 N/A SER 86.A OG PHE 82.A O no hydrogen 2.930 N/A LEU 95.A N PRO 92.A O no hydrogen 2.763 N/A ILE 96.A N PRO 92.A O no hydrogen 3.068 N/A LYS 97.A N LEU 93.A O no hydrogen 2.756 N/A LYS 97.A NZ PHE 277.A O no hydrogen 2.798 N/A SER 98.A N PRO 94.A O no hydrogen 3.235 N/A SER 98.A OG THR 282.A O no hydrogen 3.153 N/A TYR 99.A N LEU 95.A O no hydrogen 2.794 N/A LEU 100.A N ILE 96.A O no hydrogen 2.840 N/A PHE 101.A N LYS 97.A O no hydrogen 2.939 N/A GLN 102.A N SER 98.A O no hydrogen 2.857 N/A GLN 102.A NE2 SER 98.A OG no hydrogen 3.244 N/A GLN 102.A NE2 GLY 131.A O no hydrogen 3.135 N/A LEU 103.A N TYR 99.A O no hydrogen 3.052 N/A LEU 104.A N LEU 100.A O no hydrogen 2.975 N/A GLN 105.A N PHE 101.A O no hydrogen 2.932 N/A GLN 105.A NE2 ASN 54.A OD1 no hydrogen 3.382 N/A GLY 106.A N GLN 102.A O no hydrogen 2.884 N/A LEU 107.A N LEU 103.A O no hydrogen 2.772 N/A ALA 108.A N LEU 104.A O no hydrogen 2.520 N/A PHE 109.A N GLN 105.A O no hydrogen 3.031 N/A CYS 110.A N GLY 106.A O no hydrogen 2.959 N/A HIS 111.A N LEU 107.A O no hydrogen 2.865 N/A HIS 111.A NE2 ASP 177.A OD2 no hydrogen 2.623 N/A SER 112.A N ALA 108.A O no hydrogen 2.933 N/A HIS 113.A N PHE 109.A O no hydrogen 3.286 N/A HIS 113.A ND1 PHE 109.A O no hydrogen 2.714 N/A ARG 114.A N HIS 111.A O no hydrogen 2.633 N/A VAL 115.A N CYS 110.A O no hydrogen 2.912 N/A HIS 117.A N ASP 177.A OD1 no hydrogen 3.359 N/A HIS 117.A N ASP 177.A OD2 no hydrogen 3.059 N/A ARG 118.A N ASP 177.A OD1 no hydrogen 3.182 N/A ASP 119.A N HIS 117.A O no hydrogen 2.571 N/A GLN 123.A N GLN 123.A OE1 no hydrogen 2.418 N/A ASN 124.A N LYS 121.A O no hydrogen 2.960 N/A LEU 125.A N PRO 122.A O no hydrogen 2.807 N/A LEU 126.A N LYS 134.A O no hydrogen 2.780 N/A ILE 127.A N GLN 77.A O no hydrogen 2.918 N/A ASN 128.A N ALA 132.A O no hydrogen 3.056 N/A GLY 131.A N ASN 128.A O no hydrogen 2.873 N/A ALA 132.A N ASN 128.A OD1 no hydrogen 2.915 N/A LYS 134.A N LEU 126.A O no hydrogen 2.580 N/A LYS 134.A NZ GLU 73.A OE1 no hydrogen 3.160 N/A LYS 134.A NZ GLU 73.A OE2 no hydrogen 3.041 N/A LEU 135.A N ASN 54.A O no hydrogen 2.759 N/A ALA 136.A N ASN 124.A O no hydrogen 2.804 N/A LEU 140.A N ASP 137.A O no hydrogen 3.397 N/A THR 152.A OG1 GLU 12.A OE2 no hydrogen 2.485 N/A THR 152.A OG1 THR 152.A O no hydrogen 2.461 N/A THR 152.A OG1 GLU 154.A OE1 no hydrogen 2.773 N/A HIS 153.A N THR 150.A O no hydrogen 3.325 N/A GLU 154.A N THR 150.A OG1 no hydrogen 2.719 N/A TYR 160.A OH GLU 187.A OE1 no hydrogen 2.466 N/A TYR 160.A OH GLU 187.A OE2 no hydrogen 3.419 N/A ARG 161.A N LEU 158.A O no hydrogen 2.800 N/A ARG 161.A NH2 ASP 119.A OD1 no hydrogen 2.772 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.679 N/A LEU 166.A N ALA 162.A O no hydrogen 3.104 N/A LEU 167.A N PRO 163.A O no hydrogen 2.639 N/A LEU 167.A N GLU 164.A O no hydrogen 3.274 N/A GLY 168.A N ILE 165.A O no hydrogen 3.346 N/A CYS 169.A N GLU 164.A O no hydrogen 2.961 N/A ALA 175.A N SER 173.A OG no hydrogen 3.347 N/A VAL 176.A N SER 173.A O no hydrogen 3.354 N/A ASP 177.A N THR 174.A O no hydrogen 2.719 N/A TRP 179.A N ALA 175.A O no hydrogen 3.072 N/A SER 180.A N VAL 176.A O no hydrogen 3.151 N/A SER 180.A OG TYR 160.A O no hydrogen 2.674 N/A SER 180.A OG VAL 176.A O no hydrogen 3.463 N/A LEU 181.A N ASP 177.A O no hydrogen 2.897 N/A GLY 182.A N ILE 178.A O no hydrogen 2.930 N/A CYS 183.A N TRP 179.A O no hydrogen 2.999 N/A CYS 183.A SG TRP 179.A O no hydrogen 3.512 N/A ILE 184.A N SER 180.A O no hydrogen 2.884 N/A PHE 185.A N LEU 181.A O no hydrogen 2.674 N/A ALA 186.A N GLY 182.A O no hydrogen 3.187 N/A GLU 187.A N CYS 183.A O no hydrogen 2.960 N/A MET 188.A N ILE 184.A O no hydrogen 2.876 N/A VAL 189.A N PHE 185.A O no hydrogen 3.230 N/A THR 190.A N ALA 186.A O no hydrogen 3.055 N/A THR 190.A OG1 ALA 186.A O no hydrogen 3.431 N/A ARG 191.A N GLU 187.A O no hydrogen 2.734 N/A ARG 191.A NH1 ALA 87.A O no hydrogen 3.063 N/A ARG 192.A N THR 190.A OG1 no hydrogen 3.260 N/A GLY 197.A N PHE 195.A O no hydrogen 2.773 N/A ASP 198.A N ASP 202.A OD2 no hydrogen 2.820 N/A ASP 202.A N SER 199.A OG no hydrogen 3.167 N/A GLN 203.A N SER 199.A O no hydrogen 2.640 N/A GLN 203.A NE2 TRP 159.A O no hydrogen 3.331 N/A GLN 203.A NE2 PHE 195.A O no hydrogen 2.972 N/A LEU 204.A N GLU 200.A O no hydrogen 2.879 N/A PHE 205.A N ILE 201.A O no hydrogen 2.863 N/A ARG 206.A N ASP 202.A O no hydrogen 2.739 N/A ARG 206.A NE ASP 202.A OD2 no hydrogen 2.424 N/A ILE 207.A N GLN 203.A O no hydrogen 3.061 N/A PHE 208.A N LEU 204.A O no hydrogen 2.753 N/A ARG 209.A N PHE 205.A O no hydrogen 2.759 N/A ARG 209.A NE PHE 205.A O no hydrogen 3.397 N/A THR 210.A N ILE 207.A O no hydrogen 3.227 N/A THR 210.A OG1 ARG 206.A O no hydrogen 3.186 N/A LEU 211.A N ILE 207.A O no hydrogen 3.036 N/A THR 213.A N TRP 235.A O no hydrogen 3.082 N/A THR 213.A OG1 PRO 233.A O no hydrogen 2.560 N/A VAL 217.A N ASP 215.A OD1 no hydrogen 2.802 N/A VAL 218.A N ASP 215.A O no hydrogen 3.172 N/A VAL 218.A N ASP 215.A OD1 no hydrogen 3.247 N/A TRP 219.A N ASP 215.A O no hydrogen 2.691 N/A GLY 221.A N GLU 216.A OE1 no hydrogen 2.510 N/A VAL 222.A N TRP 219.A O no hydrogen 2.869 N/A THR 223.A N GLU 216.A OE2 no hydrogen 2.931 N/A THR 223.A OG1 GLU 216.A OE2 no hydrogen 2.489 N/A SER 224.A N GLY 221.A O no hydrogen 3.030 N/A MET 225.A N VAL 222.A O no hydrogen 3.300 N/A ASP 227.A N LEU 167.A O no hydrogen 2.721 N/A TYR 228.A N MET 225.A O no hydrogen 3.149 N/A LYS 229.A NZ TYR 228.A O no hydrogen 3.502 N/A PHE 232.A N LYS 229.A O no hydrogen 2.750 N/A LYS 234.A NZ PRO 230.A O no hydrogen 3.399 N/A TRP 235.A N THR 213.A OG1 no hydrogen 2.833 N/A ARG 237.A NH1 LEU 211.A O no hydrogen 3.005 N/A GLN 238.A N THR 210.A O no hydrogen 3.010 N/A LYS 242.A N ASP 239.A O no hydrogen 3.016 N/A VAL 243.A N PHE 240.A O no hydrogen 3.065 N/A VAL 244.A N PHE 240.A O no hydrogen 3.490 N/A LEU 247.A N VAL 244.A O no hydrogen 2.897 N/A ASP 250.A N ASP 248.A OD1 no hydrogen 2.486 N/A GLY 251.A N ASP 248.A OD1 no hydrogen 3.215 N/A ARG 252.A N ASP 248.A O no hydrogen 2.895 N/A ARG 252.A NH1 LEU 247.A O no hydrogen 3.204 N/A SER 253.A N GLU 249.A O no hydrogen 2.840 N/A SER 253.A OG GLN 257.A OE1 no hydrogen 3.537 N/A SER 253.A OG HIS 275.A NE2 no hydrogen 3.325 N/A LEU 254.A N ASP 250.A O no hydrogen 3.023 N/A LEU 255.A N GLY 251.A O no hydrogen 2.704 N/A SER 256.A N ARG 252.A O no hydrogen 2.867 N/A GLN 257.A N SER 253.A O no hydrogen 3.146 N/A MET 258.A N LEU 254.A O no hydrogen 3.246 N/A MET 258.A N LEU 255.A O no hydrogen 2.747 N/A LEU 259.A N LEU 255.A O no hydrogen 3.012 N/A LEU 259.A N SER 256.A O no hydrogen 3.246 N/A TYR 261.A OH GLY 212.A O no hydrogen 2.558 N/A LYS 265.A N ASP 262.A O no hydrogen 2.724 N/A ARG 266.A N ASP 262.A O no hydrogen 2.948 N/A ARG 266.A NE HIS 260.A O no hydrogen 2.690 N/A ARG 266.A NH1 GLU 164.A OE1 no hydrogen 3.417 N/A ARG 266.A NH1 ALA 175.A O no hydrogen 3.303 N/A ARG 266.A NH2 GLU 164.A OE1 no hydrogen 2.591 N/A ARG 266.A NH2 HIS 260.A O no hydrogen 3.269 N/A ARG 266.A NH2 TYR 261.A O no hydrogen 2.760 N/A ILE 267.A N GLN 257.A O no hydrogen 2.912 N/A ALA 271.A N SER 268.A OG no hydrogen 3.191 N/A ALA 272.A N SER 268.A O no hydrogen 2.953 N/A ALA 274.A N ALA 271.A O no hydrogen 2.822 N/A HIS 275.A N ALA 272.A O no hydrogen 3.245 N/A HIS 275.A NE2 SER 253.A OG no hydrogen 3.325 N/A PHE 277.A N HIS 275.A ND1 no hydrogen 2.850 N/A PHE 278.A N HIS 275.A O no hydrogen 2.876 N/A GLN 279.A N PRO 276.A O no hydrogen 2.943 N/A