Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k3k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A N GLU 9.A OE1 no hydrogen 2.938 N/A GLU 8.A N GLU 8.A OE2 no hydrogen 2.739 N/A GLU 9.A N THR 6.A OG1 no hydrogen 3.059 N/A ARG 10.A N THR 6.A O no hydrogen 2.736 N/A ARG 10.A NE LEU 5.A O no hydrogen 3.147 N/A ARG 10.A NH2 LEU 5.A O no hydrogen 3.269 N/A SER 11.A N PRO 7.A O no hydrogen 2.901 N/A SER 11.A OG PRO 7.A O no hydrogen 3.356 N/A GLU 12.A N GLU 8.A O no hydrogen 3.027 N/A LEU 13.A N GLU 9.A O no hydrogen 2.998 N/A LYS 14.A N SER 11.A O no hydrogen 3.267 N/A ILE 17.A N LEU 13.A O no hydrogen 2.958 N/A ALA 18.A N LYS 14.A O no hydrogen 3.000 N/A GLU 19.A N ASN 15.A O no hydrogen 2.962 N/A PHE 20.A N SER 16.A O no hydrogen 2.798 N/A HIS 21.A N ILE 17.A O no hydrogen 2.921 N/A HIS 21.A ND1 SER 142.A OG no hydrogen 2.658 N/A HIS 21.A NE2 THR 125.A OG1 no hydrogen 2.824 N/A THR 22.A OG1 ILE 17.A O no hydrogen 2.833 N/A TYR 23.A OH SER 142.A OG no hydrogen 2.627 N/A SER 29.A N ASP 26.A O no hydrogen 2.912 N/A SER 29.A OG ASP 26.A O no hydrogen 2.706 N/A CYS 30.A N VAL 145.A O no hydrogen 2.898 N/A CYS 30.A SG VAL 145.A O no hydrogen 3.755 N/A SER 31.A OG.B TYR 143.A O no hydrogen 3.071 N/A SER 32.A N TYR 143.A O no hydrogen 3.073 N/A SER 32.A OG.A ASP 161.A OD1 no hydrogen 3.403 N/A SER 32.A OG.B HIS 34.A NE2 no hydrogen 3.335 N/A SER 32.A OG.B ASP 161.A OD1 no hydrogen 2.842 N/A HIS 34.A N GLU 141.A O no hydrogen 2.776 N/A HIS 34.A NE2 ASP 161.A OD1 no hydrogen 3.023 N/A GLN 36.A N VAL 139.A O no hydrogen 2.896 N/A GLN 36.A NE2 ARG 37.A O no hydrogen 2.905 N/A ARG 37.A NE GLU 9.A OE1 no hydrogen 3.333 N/A ARG 37.A NE GLU 9.A OE2 no hydrogen 2.788 N/A ARG 37.A NH1 PRO 2.A O no hydrogen 3.007 N/A ARG 37.A NH2 GLU 4.A O no hydrogen 2.700 N/A ARG 37.A NH2 GLU 9.A OE1 no hydrogen 2.755 N/A ILE 38.A N THR 137.A O no hydrogen 2.739 N/A HIS 39.A N GLU 176.A OE2 no hydrogen 2.809 N/A ALA 40.A N ILE 38.A O no hydrogen 3.067 N/A GLU 43.A N GLU 43.A OE2 no hydrogen 2.949 N/A VAL 45.A N PRO 41.A O no hydrogen 3.095 N/A TRP 46.A N PRO 42.A O no hydrogen 2.793 N/A TRP 46.A NE1 ASP 101.A OD1 no hydrogen 2.823 N/A SER 47.A N GLU 43.A O no hydrogen 2.969 N/A SER 47.A OG LEU 44.A O no hydrogen 2.725 N/A ILE 48.A N LEU 44.A O no hydrogen 3.363 N/A ILE 48.A N VAL 45.A O no hydrogen 2.977 N/A VAL 49.A N VAL 45.A O no hydrogen 3.077 N/A ARG 50.A N TRP 46.A O no hydrogen 2.905 N/A ARG 50.A NE ASP 101.A OD1 no hydrogen 2.834 N/A ARG 50.A NH2 ASP 101.A OD1 no hydrogen 3.563 N/A ARG 50.A NH2 ASP 101.A OD2 no hydrogen 2.955 N/A ARG 51.A N ILE 48.A O no hydrogen 3.259 N/A ARG 51.A NE ASP 53.A OD1 no hydrogen 3.191 N/A ARG 51.A NH2 ASP 53.A OD2 no hydrogen 3.063 N/A PHE 52.A N ARG 50.A O no hydrogen 2.943 N/A ASP 53.A N ASP 53.A OD1 no hydrogen 2.660 N/A LYS 54.A N ARG 51.A O no hydrogen 3.008 N/A GLN 56.A N GLN 56.A OE1 no hydrogen 2.666 N/A THR 57.A N LYS 54.A O no hydrogen 3.255 N/A THR 57.A OG1 LYS 54.A O no hydrogen 3.478 N/A TYR 58.A N PRO 55.A O no hydrogen 3.028 N/A LYS 59.A N PRO 55.A O no hydrogen 2.929 N/A HIS 60.A N ASN 167.A OD1 no hydrogen 2.699 N/A LYS 63.A N ILE 82.A O no hydrogen 2.729 N/A SER 64.A N ILE 82.A O no hydrogen 3.463 N/A CYS 65.A SG ASP 53.A O no hydrogen 3.612 N/A CYS 65.A SG ASP 80.A O no hydrogen 4.010 N/A SER 66.A N ASP 80.A O no hydrogen 2.964 N/A GLN 69.A N GLN 69.A OE1 no hydrogen 2.566 N/A PHE 71.A N GLU 68.A O no hydrogen 2.895 N/A GLY 76.A N LEU 96.A O no hydrogen 2.770 N/A CYS 77.A N ARG 74.A O no hydrogen 2.949 N/A CYS 77.A SG ARG 74.A O no hydrogen 3.145 N/A ARG 79.A N GLU 94.A O no hydrogen 2.886 N/A ARG 79.A NE GLU 94.A OE1 no hydrogen 2.811 N/A ARG 79.A NH1 PHE 52.A O no hydrogen 2.757 N/A ARG 79.A NH2 GLU 94.A OE1 no hydrogen 2.882 N/A ASP 80.A N SER 66.A O no hydrogen 2.986 N/A VAL 81.A N SER 92.A O no hydrogen 2.954 N/A ILE 82.A N SER 64.A O no hydrogen 2.963 N/A VAL 83.A N ASN 90.A O no hydrogen 2.850 N/A ILE 84.A N PHE 61.A O no hydrogen 2.783 N/A ASN 90.A N VAL 83.A O no hydrogen 3.040 N/A SER 92.A N VAL 81.A O no hydrogen 2.921 N/A SER 92.A OG GLU 114.A O no hydrogen 2.813 N/A THR 93.A N GLY 112.A O no hydrogen 2.823 N/A THR 93.A OG1 ASP 80.A OD1 no hydrogen 2.823 N/A GLU 94.A N ARG 79.A O no hydrogen 2.926 N/A ARG 95.A N SER 109.A O no hydrogen 2.901 N/A ARG 95.A NE.A ASP 97.A OD1 no hydrogen 2.835 N/A ARG 95.A NH2.A ASP 97.A OD1 no hydrogen 3.174 N/A ARG 95.A NH2.B ASP 97.A OD1 no hydrogen 2.939 N/A LEU 96.A N CYS 77.A O no hydrogen 2.803 N/A ASP 97.A N GLY 107.A O no hydrogen 2.816 N/A ILE 98.A N GLY 107.A O no hydrogen 3.398 N/A ASP 100.A N VAL 105.A O no hydrogen 2.827 N/A ARG 103.A N ASP 100.A OD1 no hydrogen 2.849 N/A ARG 103.A NH1 GLU 19.A OE2 no hydrogen 2.810 N/A ARG 103.A NH2 GLU 19.A OE1 no hydrogen 2.796 N/A VAL 105.A N ASP 100.A O no hydrogen 3.211 N/A THR 106.A N THR 124.A O no hydrogen 2.968 N/A THR 106.A OG1 ILE 98.A O no hydrogen 2.986 N/A GLY 107.A N ILE 98.A O no hydrogen 3.129 N/A PHE 108.A N SER 122.A O no hydrogen 2.812 N/A SER 109.A N ARG 95.A O no hydrogen 3.092 N/A SER 109.A OG.A ASP 97.A OD1 no hydrogen 3.525 N/A SER 109.A OG.A ASP 97.A OD2 no hydrogen 2.610 N/A SER 109.A OG.B ASP 97.A OD1 no hydrogen 3.228 N/A SER 109.A OG.B ASP 97.A OD2 no hydrogen 3.403 N/A ILE 110.A N TYR 120.A O no hydrogen 2.890 N/A ILE 111.A N THR 93.A O no hydrogen 2.745 N/A GLY 112.A N THR 93.A O no hydrogen 3.117 N/A GLU 114.A N THR 91.A O no hydrogen 2.975 N/A ARG 116.A N GLY 113.A O no hydrogen 3.362 N/A THR 118.A N HIS 115.A O no hydrogen 2.969 N/A THR 118.A OG1 HIS 115.A O no hydrogen 2.621 N/A ASN 119.A N ARG 116.A O no hydrogen 3.155 N/A ASN 119.A ND2 ASP 146.A OD2 no hydrogen 3.137 N/A LYS 121.A N VAL 144.A O no hydrogen 3.094 N/A SER 122.A N PHE 108.A O no hydrogen 2.757 N/A SER 122.A OG GLU 141.A OE2 no hydrogen 3.361 N/A SER 122.A OG SER 142.A O no hydrogen 3.068 N/A VAL 123.A N SER 142.A O no hydrogen 3.013 N/A THR 124.A N THR 106.A O no hydrogen 2.800 N/A THR 125.A N LEU 140.A O no hydrogen 2.893 N/A THR 125.A OG1 HIS 21.A NE2 no hydrogen 2.824 N/A THR 125.A OG1 HIS 127.A NE2 no hydrogen 2.591 N/A VAL 126.A N ARG 104.A O no hydrogen 3.050 N/A HIS 127.A N VAL 138.A O no hydrogen 2.871 N/A HIS 127.A NE2 THR 125.A OG1 no hydrogen 2.591 N/A ARG 128.A NH1.A GLU 43.A OE2 no hydrogen 3.549 N/A ARG 128.A NH2.B GLU 130.A OE1 no hydrogen 2.591 N/A PHE 129.A N TRP 136.A O no hydrogen 2.826 N/A LYS 131.A N ARG 134.A O no hydrogen 2.870 N/A ARG 134.A N LYS 131.A O no hydrogen 2.676 N/A ARG 134.A NH1 HIS 39.A ND1 no hydrogen 3.496 N/A ARG 134.A NH2 HIS 39.A ND1 no hydrogen 3.223 N/A TRP 136.A N PHE 129.A O no hydrogen 2.853 N/A TRP 136.A NE1 GLU 9.A OE2 no hydrogen 2.830 N/A THR 137.A N ILE 38.A O no hydrogen 2.937 N/A THR 137.A OG1 ALA 40.A O no hydrogen 2.804 N/A VAL 138.A N HIS 127.A O no hydrogen 2.955 N/A VAL 139.A N GLN 36.A O no hydrogen 2.865 N/A LEU 140.A N THR 125.A O no hydrogen 2.986 N/A GLU 141.A N HIS 34.A O no hydrogen 2.927 N/A SER 142.A N VAL 123.A O no hydrogen 2.848 N/A SER 142.A OG HIS 21.A ND1 no hydrogen 2.658 N/A SER 142.A OG TYR 23.A OH no hydrogen 2.627 N/A TYR 143.A N SER 32.A O no hydrogen 2.988 N/A TYR 143.A OH ASP 161.A OD1 no hydrogen 2.584 N/A VAL 144.A N LYS 121.A O no hydrogen 2.936 N/A VAL 145.A N CYS 30.A O no hydrogen 2.929 N/A ASP 146.A N THR 118.A O no hydrogen 2.779 N/A MET 147.A N GLY 28.A O no hydrogen 2.956 N/A THR 156.A OG1 ASP 154.A O no hydrogen 3.320 N/A ARG 157.A NE ASP 155.A OD1 no hydrogen 2.963 N/A ARG 157.A NH2 ASP 155.A OD1 no hydrogen 3.138 N/A ALA 160.A N THR 156.A O no hydrogen 2.966 N/A ASP 161.A N ARG 157.A O no hydrogen 2.873 N/A THR 162.A N MET 158.A O no hydrogen 2.783 N/A THR 162.A OG1 MET 158.A O no hydrogen 2.785 N/A VAL 163.A N PHE 159.A O no hydrogen 2.692 N/A VAL 164.A N ALA 160.A O no hydrogen 2.940 N/A LYS 165.A N ASP 161.A O no hydrogen 3.119 N/A LEU 166.A N THR 162.A O no hydrogen 3.058 N/A ASN 167.A N VAL 163.A O no hydrogen 2.873 N/A LEU 168.A N VAL 164.A O no hydrogen 3.010 N/A GLN 169.A N LYS 165.A O no hydrogen 3.048 N/A LYS 170.A N LEU 166.A O no hydrogen 2.863 N/A LYS 170.A NZ GLN 56.A O no hydrogen 2.820 N/A LYS 170.A NZ LYS 59.A O no hydrogen 2.969 N/A LEU 171.A N ASN 167.A O no hydrogen 2.791 N/A ALA 172.A N LEU 168.A O no hydrogen 2.943 N/A THR 173.A N GLN 169.A O no hydrogen 2.949 N/A THR 173.A OG1 GLN 169.A O no hydrogen 3.193 N/A VAL 174.A N LYS 170.A O no hydrogen 2.898 N/A ALA 175.A N LEU 171.A O no hydrogen 2.884 N/A GLU 176.A N ALA 172.A O no hydrogen 2.836 N/A ALA 177.A N THR 173.A O no hydrogen 2.956 N/A MET 178.A N VAL 174.A O no hydrogen 3.034 N/A ALA 179.A N ALA 175.A O no hydrogen 3.007 N/A ARG 180.A N GLU 176.A O no hydrogen 3.300 N/A ARG 180.A N ALA 177.A O no hydrogen 3.030 N/A ASN 181.A N MET 178.A O no hydrogen 3.068 N/A SER 182.A N ALA 179.A O no hydrogen 3.388 N/A SER 182.A OG MET 178.A O no hydrogen 3.456 N/A