Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pka_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N HIS 2.A ND1 no hydrogen 2.972 N/A LYS 4.A NZ GLU 94.A OE2 no hydrogen 2.711 N/A VAL 6.A N HIS 2.A O no hydrogen 3.080 N/A ASP 7.A N LYS 3.A O no hydrogen 2.783 N/A HIS 8.A N LYS 4.A O no hydrogen 3.271 N/A HIS 8.A ND1 SER 69.A OG no hydrogen 2.580 N/A TYR 9.A N VAL 5.A O no hydrogen 3.013 N/A GLU 10.A N VAL 6.A O no hydrogen 2.954 N/A ASN 11.A ND2 ASP 7.A O no hydrogen 3.401 N/A ARG 13.A NH2 ASP 7.A O no hydrogen 3.350 N/A ARG 13.A NH2 ASP 7.A OD2 no hydrogen 2.870 N/A GLY 16.A N PHE 56.A O no hydrogen 3.129 N/A SER 17.A OG GLY 16.A O no hydrogen 3.290 N/A LEU 18.A N GLN 42.A OE1 no hydrogen 2.430 N/A THR 21.A N ASP 19.A OD1 no hydrogen 3.340 N/A THR 21.A OG1 ASP 19.A OD1 no hydrogen 3.073 N/A THR 21.A OG1 ASP 19.A OD2 no hydrogen 3.343 N/A SER 22.A N ASP 19.A O no hydrogen 3.247 N/A SER 22.A OG ASN 24.A OD1 no hydrogen 2.723 N/A ASN 24.A N SER 22.A OG no hydrogen 3.222 N/A GLY 26.A N ILE 43.A O no hydrogen 2.973 N/A THR 27.A N ASP 118.A OD2 no hydrogen 2.932 N/A GLY 28.A N LEU 41.A O no hydrogen 2.563 N/A VAL 30.A N MET 39.A O no hydrogen 3.399 N/A ALA 32.A N ASP 37.A O no hydrogen 3.179 N/A CYS 35.A SG HIS 103.A NE2 no hydrogen 3.497 N/A VAL 38.A N PHE 59.A O no hydrogen 2.798 N/A LYS 40.A N LYS 57.A O no hydrogen 2.718 N/A LYS 40.A NZ SER 17.A OG no hydrogen 2.847 N/A LEU 41.A N GLY 28.A O no hydrogen 2.746 N/A GLN 42.A N ARG 55.A O no hydrogen 2.876 N/A GLN 42.A NE2 LEU 18.A O no hydrogen 3.446 N/A ILE 43.A N GLY 26.A O no hydrogen 3.030 N/A GLN 44.A N ASP 53.A O no hydrogen 2.684 N/A VAL 45.A N ASN 24.A O no hydrogen 2.941 N/A GLY 49.A N GLU 47.A O no hydrogen 2.817 N/A LYS 50.A N ASP 46.A O no hydrogen 3.270 N/A ILE 51.A N LYS 78.A O no hydrogen 2.947 N/A VAL 52.A N GLN 44.A O no hydrogen 3.114 N/A ARG 55.A N GLN 42.A O no hydrogen 2.929 N/A PHE 56.A N ASN 14.A O no hydrogen 3.193 N/A LYS 57.A N LYS 40.A O no hydrogen 2.904 N/A THR 58.A OG1 SER 68.A OG no hydrogen 2.763 N/A PHE 59.A N VAL 38.A O no hydrogen 2.767 N/A CYS 61.A SG ASP 37.A OD1 no hydrogen 3.915 N/A CYS 61.A SG ASP 37.A OD2 no hydrogen 3.135 N/A ILE 65.A N CYS 61.A O no hydrogen 3.067 N/A ALA 66.A N GLY 62.A O no hydrogen 3.003 N/A SER 67.A N SER 63.A O no hydrogen 2.881 N/A SER 67.A OG SER 63.A O no hydrogen 2.600 N/A SER 68.A N ALA 64.A O no hydrogen 2.913 N/A SER 68.A OG THR 58.A OG1 no hydrogen 2.763 N/A SER 68.A OG ALA 64.A O no hydrogen 2.701 N/A SER 69.A N ILE 65.A O no hydrogen 2.928 N/A SER 69.A OG HIS 8.A ND1 no hydrogen 2.580 N/A SER 69.A OG ILE 65.A O no hydrogen 3.553 N/A SER 69.A OG ALA 66.A O no hydrogen 2.982 N/A LEU 70.A N ALA 66.A O no hydrogen 2.892 N/A ALA 71.A N SER 67.A O no hydrogen 2.894 N/A THR 72.A N SER 68.A O no hydrogen 2.909 N/A THR 72.A OG1 SER 68.A O no hydrogen 2.441 N/A GLU 73.A N SER 69.A O no hydrogen 2.917 N/A TRP 74.A N LEU 70.A O no hydrogen 2.922 N/A VAL 75.A N ALA 71.A O no hydrogen 2.900 N/A GLY 77.A N ILE 51.A O no hydrogen 2.605 N/A LYS 78.A NZ TRP 74.A O no hydrogen 3.081 N/A THR 79.A OG1 GLU 81.A OE1 no hydrogen 3.307 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.829 N/A ALA 83.A N THR 79.A O no hydrogen 3.135 N/A ALA 83.A N VAL 80.A O no hydrogen 3.132 N/A THR 85.A N GLU 82.A O no hydrogen 3.294 N/A THR 85.A OG1 GLU 82.A O no hydrogen 2.685 N/A ILE 86.A N ALA 83.A O no hydrogen 3.236 N/A LYS 87.A NZ LEU 84.A O no hydrogen 3.296 N/A ALA 92.A N ASN 88.A O no hydrogen 2.910 N/A LYS 93.A N THR 89.A O no hydrogen 3.076 N/A GLU 94.A N ASP 90.A O no hydrogen 3.028 N/A LEU 95.A N ILE 91.A O no hydrogen 2.917 N/A CYS 96.A N LYS 93.A O no hydrogen 3.284 N/A CYS 96.A SG HIS 2.A NE2 no hydrogen 3.728 N/A CYS 96.A SG LYS 93.A O no hydrogen 3.177 N/A CYS 96.A SG GLU 94.A O no hydrogen 3.755 N/A LEU 97.A N ALA 92.A O no hydrogen 3.166 N/A LYS 101.A N PRO 98.A O no hydrogen 2.989 N/A CYS 104.A SG ASP 37.A OD2 no hydrogen 3.769 N/A LEU 107.A N HIS 103.A O no hydrogen 3.240 N/A ALA 108.A N CYS 104.A O no hydrogen 3.305 N/A GLU 109.A N SER 105.A O no hydrogen 2.971 N/A ASP 110.A N MET 106.A O no hydrogen 2.866 N/A ALA 111.A N LEU 107.A O no hydrogen 2.918 N/A ILE 112.A N ALA 108.A O no hydrogen 3.096 N/A ILE 112.A N GLU 109.A O no hydrogen 3.105 N/A LYS 113.A N GLU 109.A O no hydrogen 3.282 N/A LYS 113.A NZ GLU 109.A OE2 no hydrogen 3.338 N/A ALA 114.A N ASP 110.A O no hydrogen 3.114 N/A ALA 115.A N ALA 111.A O no hydrogen 3.322 N/A LEU 116.A N ILE 112.A O no hydrogen 2.988 N/A ALA 117.A N LYS 113.A O no hydrogen 2.905 N/A ASP 118.A N ALA 114.A O no hydrogen 2.931 N/A TYR 119.A N ALA 115.A O no hydrogen 2.933 N/A LYS 120.A N LEU 116.A O no hydrogen 3.002 N/A LEU 121.A N ALA 117.A O no hydrogen 2.959 N/A LYS 122.A N ASP 118.A O no hydrogen 2.950 N/A LYS 122.A NZ LYS 20.A O no hydrogen 3.112 N/A LYS 122.A NZ SER 22.A O no hydrogen 3.092 N/A LYS 122.A NZ VAL 25.A O no hydrogen 2.846 N/A GLN 123.A N LYS 120.A O no hydrogen 3.132 N/A