Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pk2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A ND2 ASN 2.A OD1 no hydrogen 3.183 N/A TYR 6.A OH ASN 1.A O no hydrogen 3.073 N/A GLU 10.A N THR 8.A OG1 no hydrogen 2.621 N/A GLN 11.A N THR 8.A OG1 no hydrogen 3.365 N/A GLU 13.A N ARG 9.A O no hydrogen 3.395 N/A SER 15.A OG LEU 12.A O no hydrogen 2.301 N/A SER 15.A OG GLU 27.A OE2 no hydrogen 2.836 N/A SER 17.A OG GLU 27.A OE1 no hydrogen 2.996 N/A SER 17.A OG SER 67.A OG no hydrogen 3.313 N/A ARG 18.A N SER 15.A O no hydrogen 2.549 N/A ARG 18.A NE LEU 12.A O no hydrogen 2.967 N/A ARG 18.A NH1 LEU 12.A O no hydrogen 2.498 N/A ARG 19.A N SER 15.A O no hydrogen 3.442 N/A GLU 27.A N ASP 23.A O no hydrogen 2.598 N/A LEU 28.A N PRO 24.A O no hydrogen 2.929 N/A SER 29.A OG GLN 33.A OE1 no hydrogen 3.478 N/A TYR 30.A N LYS 26.A O no hydrogen 2.496 N/A ARG 31.A N GLU 27.A O no hydrogen 2.730 N/A ARG 31.A NH1 HIS 60.A O no hydrogen 3.565 N/A GLN 32.A NE2 LEU 28.A O no hydrogen 2.733 N/A GLN 33.A N SER 29.A O no hydrogen 3.130 N/A ALA 34.A N TYR 30.A O no hydrogen 2.498 N/A ALA 35.A N ARG 31.A O no hydrogen 2.501 N/A ASN 36.A N GLN 33.A O no hydrogen 2.883 N/A LEU 37.A N ALA 34.A O no hydrogen 3.306 N/A GLN 39.A N ALA 35.A O no hydrogen 3.255 N/A GLN 39.A NE2 GLN 39.A O no hydrogen 3.096 N/A GLN 39.A NE2 GLN 43.A OE1 no hydrogen 3.530 N/A GLY 42.A N LEU 38.A O no hydrogen 3.368 N/A GLN 43.A N GLN 39.A O no hydrogen 3.088 N/A ARG 44.A N MET 41.A O no hydrogen 2.925 N/A LEU 45.A N GLY 42.A O no hydrogen 3.206 N/A SER 48.A N GLN 90.A OE1 no hydrogen 3.322 N/A GLN 49.A NE2 GLN 39.A OE1 no hydrogen 2.979 N/A GLN 49.A NE2 GLN 49.A O no hydrogen 2.738 N/A THR 51.A N SER 48.A O no hydrogen 2.601 N/A THR 51.A OG1 GLN 90.A OE1 no hydrogen 2.640 N/A ILE 52.A N SER 48.A O no hydrogen 3.302 N/A ASN 53.A N GLN 49.A O no hydrogen 3.491 N/A THR 54.A N LEU 50.A O no hydrogen 3.210 N/A THR 54.A OG1 LEU 50.A O no hydrogen 2.805 N/A THR 54.A OG1 GLU 88.A OE2 no hydrogen 3.495 N/A ILE 56.A N ILE 52.A O no hydrogen 3.146 N/A VAL 57.A N ASN 53.A O no hydrogen 3.147 N/A TYR 58.A N THR 54.A O no hydrogen 2.855 N/A MET 59.A N ALA 55.A O no hydrogen 2.522 N/A HIS 60.A N ILE 56.A O no hydrogen 2.567 N/A HIS 60.A NE2 THR 178.A O no hydrogen 3.294 N/A ARG 61.A N VAL 57.A O no hydrogen 3.111 N/A PHE 62.A N TYR 58.A O no hydrogen 2.695 N/A TYR 63.A OH PHE 71.A O no hydrogen 3.118 N/A MET 64.A N ARG 61.A O no hydrogen 2.706 N/A SER 67.A OG SER 17.A OG no hydrogen 3.313 N/A SER 67.A OG THR 69.A OG1 no hydrogen 2.449 N/A PHE 68.A N SER 17.A OG no hydrogen 3.226 N/A THR 69.A N SER 67.A OG no hydrogen 3.397 N/A THR 69.A OG1 SER 67.A OG no hydrogen 2.449 N/A PHE 71.A N SER 67.A O no hydrogen 3.388 N/A SER 75.A N PRO 72.A O no hydrogen 2.994 N/A VAL 76.A N PRO 72.A O no hydrogen 3.346 N/A ALA 77.A N GLY 73.A O no hydrogen 3.069 N/A ALA 80.A N VAL 76.A O no hydrogen 2.848 N/A LEU 81.A N ALA 77.A O no hydrogen 2.566 N/A PHE 82.A N ALA 79.A O no hydrogen 3.148 N/A LEU 83.A N ALA 79.A O no hydrogen 3.322 N/A ALA 84.A N ALA 80.A O no hydrogen 3.368 N/A LYS 86.A N PHE 82.A O no hydrogen 3.337 N/A LYS 86.A NZ PHE 82.A O no hydrogen 3.526 N/A LYS 86.A NZ GLU 130.A OE2 no hydrogen 3.248 N/A VAL 87.A N LEU 83.A O no hydrogen 3.212 N/A GLU 88.A N ALA 84.A O no hydrogen 2.874 N/A GLU 88.A N ALA 85.A O no hydrogen 2.773 N/A GLU 89.A N LYS 86.A O no hydrogen 3.006 N/A GLN 90.A N ALA 85.A O no hydrogen 3.383 N/A LYS 92.A NZ LEU 45.A O no hydrogen 3.001 N/A VAL 97.A N LYS 93.A O no hydrogen 2.499 N/A ALA 101.A N ILE 98.A O no hydrogen 3.281 N/A THR 103.A OG1 VAL 100.A O no hydrogen 3.542 N/A CYS 104.A N ALA 101.A O no hydrogen 3.044 N/A LEU 105.A N ALA 101.A O no hydrogen 2.498 N/A THR 114.A OG1 GLU 95.A OE1 no hydrogen 3.254 N/A THR 114.A OG1 GLU 95.A OE2 no hydrogen 3.370 N/A ARG 115.A N ASP 113.A OD2 no hydrogen 3.477 N/A SER 116.A OG ASP 113.A O no hydrogen 2.748 N/A TYR 119.A N SER 116.A O no hydrogen 2.737 N/A LEU 120.A N SER 116.A O no hydrogen 3.200 N/A VAL 123.A N LEU 120.A O no hydrogen 3.158 N/A GLN 124.A N GLN 124.A OE1 no hydrogen 3.067 N/A VAL 127.A N GLN 124.A O no hydrogen 2.499 N/A ILE 128.A N ASP 125.A O no hydrogen 3.149 N/A LEU 129.A N ASP 125.A O no hydrogen 2.939 N/A ILE 132.A N ILE 128.A O no hydrogen 3.301 N/A ILE 133.A N LEU 129.A O no hydrogen 2.920 N/A LEU 134.A N GLU 130.A O no hydrogen 2.903 N/A GLN 135.A N SER 131.A O no hydrogen 3.019 N/A GLN 135.A NE2 ILE 132.A O no hydrogen 3.155 N/A THR 136.A OG1 ILE 132.A O no hydrogen 2.844 N/A LEU 137.A N ILE 133.A O no hydrogen 3.233 N/A GLY 138.A N GLN 135.A O no hydrogen 2.979 N/A GLU 140.A N LEU 137.A O no hydrogen 2.682 N/A VAL 151.A N HIS 147.A O no hydrogen 2.580 N/A LYS 152.A N THR 148.A O no hydrogen 3.392 N/A CYS 153.A N HIS 149.A O no hydrogen 2.683 N/A THR 154.A N VAL 150.A O no hydrogen 3.287 N/A THR 154.A N VAL 151.A O no hydrogen 3.084 N/A THR 154.A OG1 VAL 150.A O no hydrogen 2.489 N/A THR 154.A OG1 VAL 151.A O no hydrogen 2.748 N/A GLN 155.A N VAL 151.A O no hydrogen 3.238 N/A GLN 155.A N LYS 152.A O no hydrogen 2.673 N/A LEU 156.A N LYS 152.A O no hydrogen 2.497 N/A VAL 157.A N CYS 153.A O no hydrogen 3.382 N/A ARG 158.A N GLN 155.A O no hydrogen 3.038 N/A ALA 164.A N SER 160.A O no hydrogen 3.231 N/A GLN 165.A N LYS 161.A O no hydrogen 2.829 N/A THR 166.A N ASP 162.A O no hydrogen 3.270 N/A THR 166.A OG1 ASP 162.A O no hydrogen 2.682 N/A THR 166.A OG1 LEU 163.A O no hydrogen 2.788 N/A SER 167.A N LEU 163.A O no hydrogen 2.822 N/A SER 167.A OG LEU 163.A O no hydrogen 2.916 N/A SER 167.A OG ALA 164.A O no hydrogen 2.437 N/A TYR 168.A N ALA 164.A O no hydrogen 2.954 N/A PHE 169.A N GLN 165.A O no hydrogen 3.022 N/A MET 170.A N SER 167.A O no hydrogen 2.888 N/A ALA 171.A N TYR 168.A O no hydrogen 2.828 N/A THR 172.A N PHE 169.A O no hydrogen 3.243 N/A ASN 173.A N MET 170.A O no hydrogen 3.091 N/A ASN 173.A ND2 PHE 169.A O no hydrogen 3.411 N/A SER 174.A N MET 170.A O no hydrogen 3.059 N/A LEU 175.A N ALA 171.A O no hydrogen 2.984 N/A THR 178.A N ASN 173.A O no hydrogen 2.646 N/A THR 178.A OG1 SER 174.A O no hydrogen 2.383 N/A PHE 180.A N SER 174.A O no hydrogen 3.402 N/A PHE 180.A N THR 178.A OG1 no hydrogen 3.071 N/A LEU 182.A N THR 179.A O no hydrogen 2.996 N/A GLN 183.A N PHE 180.A O no hydrogen 3.331 N/A TYR 184.A N PHE 180.A O no hydrogen 2.934 N/A TYR 184.A OH GLU 229.A OE1 no hydrogen 3.236 N/A VAL 188.A N THR 185.A O no hydrogen 2.517 N/A VAL 189.A N PRO 186.A O no hydrogen 3.345 N/A ALA 190.A N PRO 186.A O no hydrogen 3.258 N/A CYS 191.A SG PRO 187.A O no hydrogen 3.113 N/A VAL 192.A N VAL 189.A O no hydrogen 2.668 N/A CYS 193.A N VAL 189.A O no hydrogen 3.310 N/A CYS 193.A SG MET 170.A O no hydrogen 3.583 N/A CYS 193.A SG VAL 189.A O no hydrogen 3.732 N/A HIS 195.A N CYS 191.A O no hydrogen 3.190 N/A CYS 198.A N ILE 194.A O no hydrogen 3.009 N/A SER 201.A N ALA 197.A O no hydrogen 3.174 N/A SER 201.A OG ALA 197.A O no hydrogen 3.114 N/A SER 201.A OG CYS 198.A O no hydrogen 3.553 N/A ASN 202.A N LYS 199.A O no hydrogen 2.500 N/A TRP 203.A N CYS 198.A O no hydrogen 2.917 N/A SER 208.A OG LYS 212.A O no hydrogen 2.310 N/A LYS 212.A N ASP 210.A OD1 no hydrogen 2.801 N/A LYS 212.A NZ GLU 216.A O no hydrogen 2.877 N/A LYS 212.A NZ GLU 216.A OE1 no hydrogen 3.322 N/A GLU 216.A N HIS 213.A O no hydrogen 3.247 N/A THR 221.A OG1 ASP 219.A OD1 no hydrogen 2.961 N/A VAL 222.A N ASP 219.A OD1 no hydrogen 3.344 N/A LEU 227.A N THR 223.A O no hydrogen 2.930 N/A ASP 228.A N LEU 224.A O no hydrogen 2.539 N/A GLU 229.A N GLU 225.A O no hydrogen 2.762 N/A LEU 230.A N LEU 226.A O no hydrogen 2.959 N/A THR 231.A N LEU 227.A O no hydrogen 2.944 N/A THR 231.A OG1 VAL 192.A O no hydrogen 3.137 N/A HIS 232.A N ASP 228.A O no hydrogen 2.520 N/A GLU 233.A N GLU 229.A O no hydrogen 2.732 N/A PHE 234.A N LEU 230.A O no hydrogen 2.645 N/A LEU 235.A N THR 231.A O no hydrogen 2.935 N/A GLN 236.A N HIS 232.A O no hydrogen 2.579 N/A ILE 237.A N GLU 233.A O no hydrogen 2.562 N/A LEU 238.A N LEU 235.A O no hydrogen 2.925 N/A GLU 239.A N GLN 236.A O no hydrogen 2.896 N/A LYS 240.A NZ GLN 236.A O no hydrogen 2.500 N/A THR 241.A N LEU 238.A O no hydrogen 3.394 N/A LEU 245.A N THR 241.A O no hydrogen 3.193 N/A ILE 248.A N ARG 244.A O no hydrogen 2.801 N/A TRP 249.A N LEU 245.A O no hydrogen 2.534 N/A ASN 250.A N LYS 246.A O no hydrogen 2.538 N/A TRP 251.A N ILE 248.A O no hydrogen 3.332 N/A ALA 253.A N ASN 250.A O no hydrogen 2.849 N/A GLU 255.A N ARG 252.A O no hydrogen 3.073 N/A ALA 256.A N ARG 252.A O no hydrogen 2.558 N/A