Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pbj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N GLN 55.A O no hydrogen 2.860 N/A THR 4.A N VAL 53.A O no hydrogen 3.144 N/A LEU 5.A N GLN 29.A O no hydrogen 2.730 N/A TYR 6.A N ILE 51.A O no hydrogen 2.835 N/A GLN 7.A N VAL 31.A O no hydrogen 3.171 N/A LYS 9.A N GLU 32.A OE2 no hydrogen 3.067 N/A CYS 11.A N TYR 8.A O no hydrogen 2.831 N/A CYS 14.A N CYS 11.A O no hydrogen 2.831 N/A CYS 14.A SG TYR 8.A O no hydrogen 3.436 N/A SER 15.A N CYS 11.A O no hydrogen 2.853 N/A SER 15.A OG GLY 240.A O no hydrogen 2.580 N/A LYS 16.A N PRO 12.A O no hydrogen 2.829 N/A LYS 16.A NZ SER 67.A OG no hydrogen 2.828 N/A LYS 16.A NZ ASP 140.A OD2 no hydrogen 2.622 N/A ARG 18.A N CYS 14.A O no hydrogen 2.972 N/A ARG 18.A NH2 LYS 9.A O no hydrogen 2.530 N/A ALA 19.A N SER 15.A O no hydrogen 2.943 N/A PHE 20.A N LYS 16.A O no hydrogen 3.080 N/A LEU 21.A N VAL 17.A O no hydrogen 2.864 N/A ASP 22.A N ARG 18.A O no hydrogen 2.673 N/A PHE 23.A N ALA 19.A O no hydrogen 3.030 N/A HIS 24.A N PHE 20.A O no hydrogen 3.024 N/A ALA 25.A N ASP 22.A O no hydrogen 3.073 N/A LEU 26.A N LEU 21.A O no hydrogen 2.975 N/A TYR 28.A OH ASP 22.A OD2 no hydrogen 2.708 N/A GLN 29.A N LEU 3.A O no hydrogen 2.733 N/A VAL 31.A N LEU 5.A O no hydrogen 2.957 N/A VAL 33.A N GLN 7.A O no hydrogen 2.782 N/A ASN 34.A N GLU 40.A OE2 no hydrogen 3.189 N/A ASN 34.A ND2 GLU 175.A OE1 no hydrogen 3.559 N/A ASN 34.A ND2 GLU 175.A OE2 no hydrogen 2.760 N/A VAL 36.A N ASN 34.A OD1 no hydrogen 2.745 N/A LEU 37.A N ASN 34.A OD1 no hydrogen 2.909 N/A ARG 38.A N ASN 34.A O no hydrogen 2.629 N/A ARG 38.A NH1 PRO 35.A O no hydrogen 3.229 N/A ILE 41.A N ARG 38.A O no hydrogen 3.022 N/A LYS 42.A N ALA 39.A O no hydrogen 2.863 N/A LYS 42.A NZ LEU 37.A O no hydrogen 2.809 N/A SER 44.A N ILE 41.A O no hydrogen 2.915 N/A SER 44.A OG TYR 46.A O no hydrogen 2.660 N/A SER 44.A OG GLN 62.A OE1 no hydrogen 2.562 N/A TYR 46.A N SER 44.A OG no hydrogen 2.930 N/A ARG 47.A NH2 SER 44.A O no hydrogen 3.188 N/A ILE 51.A N TYR 6.A O no hydrogen 3.288 N/A LEU 52.A N LEU 63.A O no hydrogen 2.928 N/A VAL 53.A N THR 4.A O no hydrogen 3.038 N/A ALA 54.A N GLN 61.A O no hydrogen 2.889 N/A GLN 55.A N GLN 2.A O no hydrogen 2.783 N/A GLU 56.A N SER 59.A O no hydrogen 2.949 N/A GLU 58.A N GLU 58.A OE2 no hydrogen 2.704 N/A SER 59.A N GLU 56.A O no hydrogen 3.126 N/A GLN 61.A N ALA 54.A O no hydrogen 3.021 N/A GLN 61.A NE2 GLU 56.A OE1 no hydrogen 2.604 N/A GLN 61.A NE2 GLU 56.A OE2 no hydrogen 2.895 N/A LEU 63.A N LEU 52.A O no hydrogen 2.846 N/A SER 67.A N ASP 65.A OD2 no hydrogen 3.015 N/A ILE 69.A N ASP 65.A O no hydrogen 2.783 N/A ILE 70.A N SER 66.A O no hydrogen 3.229 N/A SER 71.A N SER 67.A O no hydrogen 2.823 N/A SER 71.A OG SER 67.A O no hydrogen 2.848 N/A SER 71.A OG LYS 109.A O no hydrogen 2.603 N/A ALA 72.A N VAL 68.A O no hydrogen 2.750 N/A LEU 73.A N ILE 69.A O no hydrogen 2.927 N/A LYS 74.A N ILE 70.A O no hydrogen 2.971 N/A THR 75.A N SER 71.A O no hydrogen 3.114 N/A THR 75.A OG1 ALA 72.A O no hydrogen 3.204 N/A TYR 76.A N ALA 72.A O no hydrogen 2.843 N/A LEU 77.A N LEU 73.A O no hydrogen 2.836 N/A VAL 78.A N LYS 74.A O no hydrogen 3.195 N/A VAL 78.A N THR 75.A O no hydrogen 3.255 N/A SER 79.A N THR 75.A O no hydrogen 2.754 N/A SER 79.A OG THR 75.A O no hydrogen 3.082 N/A GLY 80.A N TYR 76.A O no hydrogen 2.990 N/A GLN 81.A N SER 79.A OG no hydrogen 2.890 N/A GLN 81.A NE2 GLU 85.A OE2 no hydrogen 2.754 N/A GLN 81.A NE2 TYR 89.A OH no hydrogen 3.043 N/A GLU 85.A N PRO 82.A O no hydrogen 2.870 N/A ILE 86.A N PRO 82.A O no hydrogen 3.260 N/A ILE 87.A N LEU 83.A O no hydrogen 3.250 N/A THR 88.A N GLU 85.A O no hydrogen 3.120 N/A TYR 89.A N ILE 86.A O no hydrogen 2.807 N/A TYR 90.A N ILE 87.A O no hydrogen 3.361 N/A TYR 90.A OH TRP 111.A O no hydrogen 2.495 N/A MET 93.A N GLU 105.A O no hydrogen 2.664 N/A ASN 97.A N LYS 101.A O no hydrogen 2.516 N/A GLY 100.A N ASN 97.A O no hydrogen 2.802 N/A VAL 103.A N ALA 95.A O no hydrogen 2.836 N/A GLU 105.A N MET 93.A O no hydrogen 2.977 N/A PHE 106.A N GLU 105.A OE2 no hydrogen 2.866 N/A GLY 107.A N PRO 91.A O no hydrogen 2.998 N/A ASN 108.A ND2 TYR 89.A O no hydrogen 2.822 N/A LYS 109.A N PHE 106.A O no hydrogen 3.428 N/A LYS 109.A NZ GLU 105.A OE2 no hydrogen 2.913 N/A TYR 110.A OH ASP 140.A OD1 no hydrogen 2.372 N/A TRP 111.A N ASN 108.A O no hydrogen 2.684 N/A MET 113.A N TYR 90.A OH no hydrogen 3.287 N/A LEU 114.A N LEU 112.A O no hydrogen 2.861 N/A ASN 115.A N GLU 118.A OE2 no hydrogen 2.637 N/A GLU 116.A N GLU 116.A OE2 no hydrogen 2.527 N/A ALA 119.A N ASN 115.A O no hydrogen 2.812 N/A GLN 120.A N GLU 116.A O no hydrogen 3.068 N/A GLN 121.A N LYS 117.A O no hydrogen 2.994 N/A VAL 122.A N GLU 118.A O no hydrogen 3.124 N/A VAL 122.A N ALA 119.A O no hydrogen 2.804 N/A TYR 123.A N ALA 119.A O no hydrogen 2.685 N/A TYR 123.A OH GLU 132.A OE2 no hydrogen 2.631 N/A ALA 128.A N GLY 125.A O no hydrogen 2.786 N/A ARG 129.A N GLY 125.A O no hydrogen 3.323 N/A ARG 129.A N LYS 126.A O no hydrogen 3.245 N/A ARG 129.A NH2 LEU 112.A O no hydrogen 2.659 N/A THR 130.A OG1 GLU 127.A O no hydrogen 3.161 N/A GLU 131.A N GLU 127.A O no hydrogen 3.000 N/A GLU 132.A N ALA 128.A O no hydrogen 3.359 N/A MET 133.A N ARG 129.A O no hydrogen 3.393 N/A LYS 134.A N THR 130.A O no hydrogen 3.020 N/A TRP 135.A N GLU 131.A O no hydrogen 2.982 N/A ARG 136.A N GLU 132.A O no hydrogen 2.615 N/A ARG 136.A NH1 SER 71.A OG no hydrogen 2.412 N/A GLN 137.A N MET 133.A O no hydrogen 3.170 N/A TRP 138.A N LYS 134.A O no hydrogen 3.077 N/A ALA 139.A N TRP 135.A O no hydrogen 2.809 N/A ASP 140.A N ARG 136.A O no hydrogen 3.452 N/A ASP 141.A N GLN 137.A O no hydrogen 2.985 N/A TRP 142.A N TRP 138.A O no hydrogen 3.005 N/A LEU 143.A N TRP 138.A O no hydrogen 3.224 N/A VAL 144.A N ALA 139.A O no hydrogen 3.082 N/A HIS 145.A N TRP 142.A O no hydrogen 2.993 N/A LEU 146.A N LEU 143.A O no hydrogen 2.931 N/A ILE 147.A N VAL 144.A O no hydrogen 3.038 N/A ASN 150.A N ILE 147.A O no hydrogen 2.888 N/A ASN 150.A ND2 LEU 146.A O no hydrogen 2.820 N/A ASN 150.A ND2 VAL 204.A O no hydrogen 3.095 N/A VAL 151.A N ILE 147.A O no hydrogen 2.766 N/A ALA 158.A N THR 154.A O no hydrogen 2.637 N/A LEU 159.A N PRO 155.A O no hydrogen 3.030 N/A ALA 160.A N THR 156.A O no hydrogen 2.858 N/A SER 161.A N GLU 157.A O no hydrogen 2.689 N/A SER 161.A OG VAL 151.A O no hydrogen 2.590 N/A SER 161.A OG GLU 157.A O no hydrogen 2.895 N/A PHE 162.A N ALA 158.A O no hydrogen 2.879 N/A ASP 163.A N LEU 159.A O no hydrogen 2.783 N/A TYR 164.A N ALA 160.A O no hydrogen 3.206 N/A TYR 164.A OH VAL 244.A O no hydrogen 3.011 N/A VAL 166.A N PHE 162.A O no hydrogen 3.062 N/A ARG 167.A N ASP 163.A O no hydrogen 2.999 N/A GLU 168.A N TYR 164.A O no hydrogen 3.329 N/A GLY 169.A N ILE 165.A O no hydrogen 2.887 N/A LYS 170.A NZ GLU 32.A O no hydrogen 2.927 N/A LYS 170.A NZ GLU 40.A OE1 no hydrogen 3.310 N/A ALA 177.A N ALA 173.A O no hydrogen 3.505 N/A VAL 178.A N VAL 174.A O no hydrogen 3.251 N/A LYS 180.A N GLY 176.A O no hydrogen 2.867 N/A LYS 180.A NZ ASP 163.A OD1 no hydrogen 3.248 N/A LYS 180.A NZ TYR 181.A OH no hydrogen 3.457 N/A MET 182.A N VAL 178.A O no hydrogen 2.894 N/A GLY 183.A N ALA 179.A O no hydrogen 2.625 N/A ALA 184.A N LYS 180.A O no hydrogen 2.930 N/A ALA 185.A N TYR 181.A O no hydrogen 2.993 N/A ALA 186.A N MET 182.A O no hydrogen 2.821 N/A MET 187.A N GLY 183.A O no hydrogen 2.731 N/A TYR 188.A N ALA 184.A O no hydrogen 2.708 N/A LEU 189.A N ALA 185.A O no hydrogen 3.099 N/A ILE 190.A N ALA 186.A O no hydrogen 2.781 N/A SER 191.A N MET 187.A O no hydrogen 2.856 N/A SER 191.A OG MET 187.A O no hydrogen 2.904 N/A LYS 192.A N LEU 189.A O no hydrogen 2.980 N/A ARG 193.A NH1 LEU 189.A O no hydrogen 3.000 N/A LEU 194.A N ILE 190.A O no hydrogen 3.015 N/A LYS 195.A N SER 191.A O no hydrogen 2.670 N/A SER 196.A N LYS 192.A O no hydrogen 3.089 N/A ARG 197.A N ARG 193.A O no hydrogen 2.713 N/A HIS 198.A N LEU 194.A O no hydrogen 3.007 N/A ARG 199.A N SER 196.A O no hydrogen 2.773 N/A LEU 200.A N LYS 195.A O no hydrogen 3.075 N/A GLN 201.A N ASP 207.A OD1 no hydrogen 3.427 N/A GLN 201.A N ASP 207.A OD2 no hydrogen 2.491 N/A GLN 201.A NE2 ASP 207.A OD1 no hydrogen 2.966 N/A GLN 201.A NE2 GLU 210.A OE2 no hydrogen 2.759 N/A ARG 205.A NE ASP 253.A OD1 no hydrogen 2.814 N/A ARG 205.A NH1 ASN 150.A O no hydrogen 2.613 N/A ARG 205.A NH1 ASN 150.A OD1 no hydrogen 3.068 N/A ARG 205.A NH1 GLU 157.A OE1 no hydrogen 3.389 N/A ARG 205.A NH2 GLU 157.A OE1 no hydrogen 2.777 N/A ARG 205.A NH2 ASP 253.A OD1 no hydrogen 3.127 N/A GLU 206.A N ASN 203.A O no hydrogen 2.687 N/A LEU 208.A N VAL 204.A O no hydrogen 3.480 N/A TYR 209.A N ARG 205.A O no hydrogen 2.900 N/A GLU 210.A N GLU 206.A O no hydrogen 2.979 N/A ALA 211.A N ASP 207.A O no hydrogen 2.964 N/A ALA 212.A N LEU 208.A O no hydrogen 2.955 N/A ASP 213.A N TYR 209.A O no hydrogen 2.866 N/A LYS 214.A N GLU 210.A O no hydrogen 2.794 N/A TRP 215.A N ALA 211.A O no hydrogen 3.030 N/A VAL 216.A N ALA 212.A O no hydrogen 2.892 N/A ALA 217.A N ASP 213.A O no hydrogen 2.752 N/A ALA 218.A N LYS 214.A O no hydrogen 2.813 N/A VAL 219.A N TRP 215.A O no hydrogen 2.821 N/A GLY 220.A N VAL 216.A O no hydrogen 2.802 N/A LYS 221.A NZ ASP 222.A OD2 no hydrogen 2.820 N/A ARG 223.A NE VAL 219.A O no hydrogen 2.732 N/A ARG 223.A NH1 GLU 131.A OE2 no hydrogen 3.374 N/A ARG 223.A NH2 GLU 131.A OE1 no hydrogen 2.748 N/A ARG 223.A NH2 ALA 218.A O no hydrogen 3.158 N/A PHE 225.A N GLY 228.A O no hydrogen 3.224 N/A MET 226.A N ASP 235.A OD1 no hydrogen 2.875 N/A GLY 227.A N ASP 235.A OD2 no hydrogen 2.871 N/A GLY 228.A N PHE 225.A O no hydrogen 2.724 N/A ASN 232.A N ASP 235.A OD2 no hydrogen 2.901 N/A LEU 233.A N GLU 132.A OE1 no hydrogen 3.244 N/A LEU 236.A N ASN 232.A O no hydrogen 3.195 N/A ALA 237.A N LEU 233.A O no hydrogen 2.896 N/A VAL 238.A N ALA 234.A O no hydrogen 3.018 N/A TYR 239.A N ASP 235.A O no hydrogen 2.917 N/A GLY 240.A N LEU 236.A O no hydrogen 2.714 N/A VAL 241.A N ALA 237.A O no hydrogen 2.857 N/A LEU 242.A N VAL 238.A O no hydrogen 2.836 N/A ARG 243.A N TYR 239.A O no hydrogen 2.846 N/A ARG 243.A NE SER 15.A OG no hydrogen 2.855 N/A ARG 243.A NH1 SER 15.A OG no hydrogen 3.004 N/A MET 245.A N LEU 242.A O no hydrogen 2.924 N/A GLU 246.A N ARG 243.A O no hydrogen 2.586 N/A LEU 248.A N MET 245.A O no hydrogen 2.828 N/A ASP 252.A N LEU 248.A O no hydrogen 3.407 N/A ASP 253.A N ASP 249.A O no hydrogen 2.874 N/A LEU 254.A N ALA 250.A O no hydrogen 2.728 N/A MET 255.A N PHE 251.A O no hydrogen 2.858 N/A GLN 256.A N ASP 252.A O no hydrogen 2.810 N/A HIS 257.A N ASP 253.A O no hydrogen 2.944 N/A THR 258.A OG1 LEU 254.A O no hydrogen 2.460 N/A TRP 263.A NE1 ASP 235.A OD1 no hydrogen 2.995 N/A TYR 264.A N ILE 260.A O no hydrogen 2.993 N/A TYR 264.A OH GLU 246.A OE2 no hydrogen 2.568 N/A LEU 265.A N GLN 261.A O no hydrogen 2.796 N/A ARG 266.A N PRO 262.A O no hydrogen 3.117 N/A ARG 266.A NE PRO 224.A O no hydrogen 3.317 N/A ARG 266.A NH1 PRO 224.A O no hydrogen 2.509 N/A VAL 267.A N TRP 263.A O no hydrogen 3.085 N/A GLU 268.A N TYR 264.A O no hydrogen 2.991 N/A ARG 269.A N LEU 265.A O no hydrogen 2.904 N/A ALA 270.A N ARG 266.A O no hydrogen 2.884 N/A ILE 271.A N VAL 267.A O no hydrogen 2.869 N/A ILE 271.A N GLU 268.A O no hydrogen 3.246 N/A THR 272.A N GLU 268.A O no hydrogen 2.932 N/A THR 272.A OG1 GLU 268.A O no hydrogen 3.017 N/A THR 272.A OG1 ARG 269.A O no hydrogen 3.150 N/A GLU 273.A N ARG 269.A O no hydrogen 3.137 N/A