Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ups_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N ASP 2.A OD1 no hydrogen 2.776 N/A LEU 6.A N PRO 3.A O no hydrogen 2.829 N/A LYS 7.A N GLU 4.A O no hydrogen 3.037 N/A LYS 7.A NZ ASP 11.A OD2 no hydrogen 2.829 N/A VAL 9.A N LEU 5.A O no hydrogen 2.949 N/A THR 10.A N LEU 6.A O no hydrogen 2.909 N/A THR 10.A OG1 LEU 6.A O no hydrogen 3.181 N/A THR 10.A OG1 LYS 7.A O no hydrogen 3.544 N/A ASP 11.A N LYS 7.A O no hydrogen 2.855 N/A SER 12.A N LEU 8.A O no hydrogen 2.863 N/A LEU 13.A N VAL 9.A O no hydrogen 2.958 N/A ASP 14.A N THR 10.A O no hydrogen 2.866 N/A ASP 15.A N ASP 11.A O no hydrogen 2.885 N/A ASP 16.A N SER 12.A O no hydrogen 2.997 N/A GLN 17.A N ASP 14.A O no hydrogen 3.013 N/A ALA 18.A N LEU 13.A O no hydrogen 2.973 N/A LEU 19.A N SER 39.A O no hydrogen 2.970 N/A ALA 22.A N ILE 37.A O no hydrogen 2.755 N/A LEU 26.A N ASP 34.A O no hydrogen 2.880 N/A LYS 29.A N LEU 26.A O no hydrogen 2.827 N/A SER 30.A N LEU 26.A O no hydrogen 3.006 N/A ILE 32.A N SER 30.A OG no hydrogen 3.153 N/A ASP 34.A N ASP 81.A O no hydrogen 2.715 N/A TYR 35.A N ASP 81.A O no hydrogen 3.240 N/A TYR 35.A OH GLU 4.A OE2 no hydrogen 2.649 N/A ILE 37.A N ALA 22.A O no hydrogen 2.996 N/A ALA 38.A N HIS 85.A O.A no hydrogen 2.951 N/A ALA 38.A N HIS 85.A O.B no hydrogen 3.041 N/A SER 39.A N LEU 19.A O no hydrogen 2.922 N/A SER 39.A OG LEU 19.A O no hydrogen 3.379 N/A GLY 40.A N PHE 87.A O no hydrogen 2.960 N/A ARG 41.A N GLN 45.A OE1 no hydrogen 2.758 N/A GLN 45.A N SER 42.A OG no hydrogen 2.930 N/A VAL 46.A N SER 42.A O no hydrogen 3.003 N/A THR 47.A N SER 43.A O no hydrogen 3.083 N/A THR 47.A OG1 SER 43.A O no hydrogen 2.746 N/A ALA 48.A N ARG 44.A O no hydrogen 2.836 N/A GLN 50.A N THR 47.A O no hydrogen 2.957 N/A GLN 50.A NE2 ASP 54.A OD1 no hydrogen 2.823 N/A LYS 51.A N ALA 48.A O no hydrogen 2.913 N/A LYS 51.A NZ ASP 16.A OD1 no hydrogen 2.619 N/A ALA 53.A N ALA 49.A O no hydrogen 2.929 N/A ASP 54.A N GLN 50.A O no hydrogen 2.880 N/A ARG 55.A N LYS 51.A O no hydrogen 2.782 N/A ARG 55.A NH2 SER 12.A OG no hydrogen 2.836 N/A ARG 55.A NH2 ASP 16.A OD2 no hydrogen 3.221 N/A ILE 56.A N LEU 52.A O no hydrogen 2.878 N/A LYS 57.A N ALA 53.A O no hydrogen 2.999 N/A ALA 58.A N ASP 54.A O no hydrogen 2.853 N/A ALA 59.A N ARG 55.A O no hydrogen 2.902 N/A THR 60.A N ILE 56.A O no hydrogen 2.886 N/A THR 60.A OG1 ILE 56.A O no hydrogen 2.765 N/A GLY 61.A N LYS 57.A O no hydrogen 2.758 N/A TYR 62.A N THR 60.A OG1 no hydrogen 2.977 N/A LYS 65.A N ASP 78.A O no hydrogen 3.078 N/A GLU 67.A N LEU 76.A O no hydrogen 2.798 N/A VAL 75.A N LEU 86.A O no hydrogen 2.958 N/A LEU 76.A N GLU 67.A O no hydrogen 2.892 N/A LEU 77.A N.A ILE 84.A O no hydrogen 2.814 N/A LEU 77.A N.B ILE 84.A O no hydrogen 2.823 N/A ASP 78.A N LYS 65.A O no hydrogen 2.802 N/A ALA 79.A N ILE 82.A O no hydrogen 2.837 N/A GLY 80.A N ASP 78.A OD1 no hydrogen 2.912 N/A ILE 83.A N TYR 35.A O no hydrogen 3.181 N/A ILE 84.A N LEU 77.A O.A no hydrogen 2.839 N/A ILE 84.A N LEU 77.A O.B no hydrogen 2.777 N/A HIS 85.A N.A VAL 36.A O no hydrogen 2.796 N/A HIS 85.A N.B VAL 36.A O no hydrogen 2.838 N/A LEU 86.A N VAL 75.A O no hydrogen 2.767 N/A PHE 87.A N ALA 38.A O no hydrogen 3.090 N/A ARG 88.A N ASP 73.A O no hydrogen 3.239 N/A ARG 88.A NH2 GLU 90.A OE2 no hydrogen 2.967 N/A GLU 90.A N GLU 90.A OE1 no hydrogen 2.676 N/A ARG 92.A N ARG 88.A O no hydrogen 2.868 N/A SER 93.A N PRO 89.A O no hydrogen 2.920 N/A SER 93.A OG PRO 89.A O no hydrogen 3.011 N/A PHE 94.A N GLU 90.A O no hydrogen 3.185 N/A TYR 95.A N VAL 91.A O no hydrogen 2.882 N/A TYR 95.A OH ASP 73.A OD1 no hydrogen 3.275 N/A ASN 96.A N ARG 92.A O no hydrogen 2.836 N/A LEU 97.A N SER 93.A O no hydrogen 3.053 N/A GLU 98.A N PHE 94.A O no hydrogen 3.067 N/A ARG 99.A N TYR 95.A O no hydrogen 3.023 N/A GLY 101.A N ARG 99.A O no hydrogen 2.942 N/A PHE 102.A N GLU 98.A O no hydrogen 3.005 N/A