Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nee_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A SG LEU 3.A O no hydrogen 3.039 N/A CYS 1.A SG THR 50.A O no hydrogen 3.263 N/A MET 4.A N TYR 96.A O no hydrogen 2.879 N/A VAL 5.A N LEU 46.A O no hydrogen 3.140 N/A LYS 6.A N ILE 98.A O no hydrogen 2.860 N/A LYS 6.A NZ SER 43.A O no hydrogen 2.999 N/A LYS 6.A NZ GLU 45.A OE1.A no hydrogen 2.940 N/A LYS 6.A NZ GLU 45.A OE2.B no hydrogen 3.338 N/A VAL 7.A N GLY 44.A O no hydrogen 2.816 N/A LEU 8.A N ALA 100.A O no hydrogen 2.876 N/A ASP 9.A N SER 14.A O no hydrogen 2.786 N/A ALA 10.A N LEU 102.A O no hydrogen 2.852 N/A VAL 11.A N ASP 9.A OD1 no hydrogen 2.758 N/A ARG 12.A N ASP 9.A OD1 no hydrogen 2.874 N/A GLY 13.A N ASP 9.A O no hydrogen 2.936 N/A SER 14.A N ASP 9.A O no hydrogen 3.292 N/A SER 14.A OG.A PRO 15.A O no hydrogen 3.040 N/A ALA 16.A N VAL 7.A O no hydrogen 2.880 N/A ASN 18.A N.A THR 40.A O no hydrogen 2.935 N/A ASN 18.A N.B THR 40.A O no hydrogen 2.965 N/A VAL 19.A N THR 40.A OG1 no hydrogen 2.884 N/A VAL 21.A N GLY 38.A O no hydrogen 2.821 N/A HIS 22.A N GLU 63.A O.A no hydrogen 2.925 N/A HIS 22.A N GLU 63.A O.B no hydrogen 2.924 N/A VAL 23.A N ALA 36.A O no hydrogen 2.628 N/A PHE 24.A N LYS 61.A O no hydrogen 2.824 N/A ARG 25.A N GLU 33.A O no hydrogen 2.864 N/A ARG 25.A NH2 GLU 57.A O.A no hydrogen 2.749 N/A ARG 25.A NH2 GLU 57.A O.B no hydrogen 2.733 N/A LYS 26.A N ILE 59.A O no hydrogen 2.837 N/A ALA 27.A N THR 31.A O no hydrogen 2.785 N/A ASP 30.A N ALA 27.A O no hydrogen 2.911 N/A THR 31.A N ASP 29.A OD1 no hydrogen 3.228 N/A THR 31.A OG1 ASP 29.A OD1 no hydrogen 2.885 N/A GLU 33.A N ARG 25.A O no hydrogen 2.967 N/A PHE 35.A N VAL 23.A O no hydrogen 2.789 N/A ALA 36.A N VAL 23.A O no hydrogen 3.178 N/A GLY 38.A N VAL 21.A O no hydrogen 2.973 N/A THR 40.A N VAL 19.A O no hydrogen 2.906 N/A THR 40.A OG1 ALA 16.A O no hydrogen 2.711 N/A SER 41.A N GLU 45.A O.A no hydrogen 2.835 N/A SER 41.A N GLU 45.A O.B no hydrogen 2.828 N/A SER 41.A OG SER 43.A OG.A no hydrogen 2.847 N/A SER 41.A OG GLU 45.A O.A no hydrogen 3.242 N/A SER 41.A OG GLU 45.A O.B no hydrogen 3.252 N/A SER 43.A N SER 41.A OG no hydrogen 3.071 N/A SER 43.A OG.A SER 41.A OG no hydrogen 2.847 N/A SER 43.A OG.A GLU 45.A OE1.B no hydrogen 3.270 N/A GLY 44.A N SER 41.A O no hydrogen 2.882 N/A GLU 45.A N.A SER 41.A OG no hydrogen 3.414 N/A GLU 45.A N.B SER 41.A OG no hydrogen 3.408 N/A LEU 46.A N VAL 5.A O no hydrogen 2.842 N/A HIS 47.A NE2 GLU 45.A OE1.B no hydrogen 3.253 N/A HIS 47.A NE2 GLU 45.A OE2.A no hydrogen 2.586 N/A THR 50.A OG1 THR 51.A O no hydrogen 3.564 N/A THR 50.A OG1 GLU 54.A OE2 no hydrogen 2.715 N/A THR 51.A N THR 50.A OG1 no hydrogen 2.744 N/A GLU 54.A N THR 51.A O no hydrogen 3.221 N/A GLU 54.A N THR 51.A OG1 no hydrogen 3.231 N/A PHE 55.A N THR 51.A O no hydrogen 3.026 N/A VAL 56.A N GLU 54.A O no hydrogen 2.902 N/A GLY 58.A N ALA 88.A O no hydrogen 3.380 N/A TYR 60.A N PHE 86.A O no hydrogen 2.811 N/A TYR 60.A OH VAL 56.A O no hydrogen 2.708 N/A LYS 61.A N PHE 24.A O no hydrogen 2.858 N/A LYS 61.A NZ GLU 63.A OE2.B no hydrogen 3.293 N/A VAL 62.A N VAL 84.A O no hydrogen 2.839 N/A GLU 63.A N.A HIS 22.A O no hydrogen 2.785 N/A GLU 63.A N.B HIS 22.A O no hydrogen 2.784 N/A ILE 64.A N ALA 82.A O no hydrogen 2.773 N/A ASP 65.A N ALA 20.A O no hydrogen 2.847 N/A THR 66.A N ILE 64.A O no hydrogen 2.851 N/A LYS 67.A NZ GLU 80.A OE2 no hydrogen 3.000 N/A SER 68.A N ASP 65.A OD1 no hydrogen 3.111 N/A SER 68.A OG ASP 65.A OD1 no hydrogen 3.314 N/A SER 68.A OG ASP 65.A OD2 no hydrogen 2.581 N/A TYR 69.A OH ASP 9.A OD2 no hydrogen 2.553 N/A TRP 70.A N THR 66.A O no hydrogen 3.034 N/A LYS 71.A N LYS 67.A O no hydrogen 2.937 N/A LYS 71.A NZ.B SER 76.A OG no hydrogen 2.918 N/A ALA 72.A N SER 68.A O no hydrogen 3.056 N/A LEU 73.A N TRP 70.A O no hydrogen 2.929 N/A GLY 74.A N LYS 71.A O no hydrogen 2.974 N/A ILE 75.A N TRP 70.A O no hydrogen 2.952 N/A PHE 78.A N PRO 104.A O no hydrogen 2.869 N/A ALA 82.A N ILE 64.A O no hydrogen 2.985 N/A VAL 84.A N VAL 62.A O no hydrogen 2.765 N/A PHE 86.A N TYR 60.A O no hydrogen 2.910 N/A ALA 88.A N GLY 58.A O no hydrogen 2.845 N/A ASN 89.A N TYR 96.A OH no hydrogen 2.810 N/A SER 91.A OG ASP 90.A OD1 no hydrogen 3.508 N/A GLY 92.A N ASN 89.A O no hydrogen 3.138 N/A ARG 94.A NH1 SER 91.A O no hydrogen 3.529 N/A ARG 94.A NH1 PRO 93.A O no hydrogen 3.039 N/A ARG 94.A NH2 SER 91.A O no hydrogen 3.374 N/A ARG 95.A N THR 114.A O no hydrogen 2.937 N/A TYR 96.A N PRO 2.A O no hydrogen 2.808 N/A THR 97.A N VAL 112.A O no hydrogen 2.872 N/A ILE 98.A N MET 4.A O no hydrogen 2.823 N/A ALA 99.A N THR 110.A O no hydrogen 2.868 N/A ALA 100.A N LYS 6.A O no hydrogen 2.867 N/A LEU 101.A N SER 108.A O.A no hydrogen 2.823 N/A LEU 101.A N SER 108.A O.B no hydrogen 2.940 N/A LEU 102.A N LEU 8.A O no hydrogen 2.860 N/A SER 103.A N SER 106.A O no hydrogen 2.769 N/A SER 106.A N SER 103.A O no hydrogen 3.320 N/A SER 108.A N.A LEU 101.A O no hydrogen 2.984 N/A SER 108.A N.B LEU 101.A O no hydrogen 3.062 N/A THR 109.A OG1.A ALA 99.A O no hydrogen 3.007 N/A THR 110.A N ALA 99.A O no hydrogen 2.875 N/A VAL 112.A N THR 97.A O no hydrogen 2.899 N/A THR 114.A N ARG 95.A O no hydrogen 3.006 N/A