Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wu1_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N GLY 1.A O no hydrogen 2.774 N/A GLN 4.A N GLN 7.A OE1 no hydrogen 2.857 N/A TRP 6.A N TYR 64.A OH no hydrogen 2.778 N/A TRP 6.A NE1 GLN 4.A OE1 no hydrogen 3.035 N/A PHE 8.A N GLN 4.A O no hydrogen 2.857 N/A LEU 9.A N LEU 5.A O no hydrogen 2.919 N/A LEU 10.A N TRP 6.A O no hydrogen 2.905 N/A GLU 11.A N GLN 7.A O no hydrogen 2.977 N/A LEU 12.A N PHE 8.A O no hydrogen 3.136 N/A LEU 13.A N LEU 9.A O no hydrogen 2.837 N/A THR 14.A N GLU 11.A O no hydrogen 3.189 N/A THR 14.A OG1 LEU 10.A O no hydrogen 2.770 N/A THR 14.A OG1 GLU 11.A O no hydrogen 3.017 N/A ASP 15.A N LEU 12.A O no hydrogen 3.221 N/A LYS 16.A NZ ASP 102.A OD1 no hydrogen 3.370 N/A SER 17.A N ASP 15.A OD2 no hydrogen 2.886 N/A SER 17.A OG ASP 15.A OD2 no hydrogen 2.639 N/A CYS 18.A N ASP 15.A O no hydrogen 3.123 N/A CYS 18.A SG ASP 15.A OD1 no hydrogen 3.614 N/A GLN 19.A N LYS 16.A O no hydrogen 3.475 N/A GLN 19.A NE2 LEU 101.A O no hydrogen 3.200 N/A PHE 21.A N CYS 18.A O no hydrogen 3.197 N/A ILE 22.A N CYS 18.A O no hydrogen 3.042 N/A SER 23.A N LYS 32.A O no hydrogen 2.987 N/A TRP 24.A NE1 LEU 13.A O no hydrogen 3.025 N/A THR 25.A N GLU 30.A O no hydrogen 3.027 N/A THR 25.A OG1 GLU 30.A O no hydrogen 3.283 N/A THR 25.A OG1 GLU 30.A OE2 no hydrogen 2.821 N/A ASP 27.A N THR 25.A OG1 no hydrogen 3.268 N/A GLU 30.A N ASP 27.A O no hydrogen 3.038 N/A PHE 31.A N TYR 80.A O no hydrogen 2.836 N/A LYS 32.A N SER 23.A O no hydrogen 2.714 N/A LEU 33.A N TYR 78.A O no hydrogen 2.942 N/A SER 34.A OG SER 20.A O no hydrogen 2.817 N/A ASP 35.A N PHE 21.A O no hydrogen 2.960 N/A GLU 38.A N ASP 35.A O no hydrogen 2.977 N/A GLU 38.A N ASP 35.A OD1 no hydrogen 2.713 N/A VAL 39.A N ASP 35.A O no hydrogen 3.235 N/A ALA 40.A N PRO 36.A O no hydrogen 2.805 N/A ARG 41.A N ASP 37.A O no hydrogen 2.827 N/A ARG 41.A NE GLU 38.A OE1 no hydrogen 2.917 N/A ARG 41.A NH2 GLU 38.A OE1 no hydrogen 3.534 N/A ARG 42.A N GLU 38.A O no hydrogen 2.927 N/A ARG 42.A NE GLU 38.A OE2 no hydrogen 2.801 N/A ARG 42.A NH2 GLU 38.A OE2 no hydrogen 3.506 N/A TRP 43.A N VAL 39.A O no hydrogen 2.805 N/A GLY 44.A N ALA 40.A O no hydrogen 2.671 N/A LYS 45.A N ARG 41.A O no hydrogen 2.838 N/A ARG 46.A N ARG 42.A O no hydrogen 2.806 N/A ARG 46.A NH1 ARG 46.A O no hydrogen 2.878 N/A LYS 47.A N TRP 43.A O no hydrogen 3.077 N/A LYS 47.A N GLY 44.A O no hydrogen 3.169 N/A ASN 48.A N LYS 45.A O no hydrogen 3.363 N/A LYS 49.A N GLY 44.A O no hydrogen 2.803 N/A MET 52.A N LYS 49.A O no hydrogen 2.685 N/A TYR 54.A OH TYR 80.A OH no hydrogen 2.859 N/A LYS 56.A N ASN 53.A O no hydrogen 3.258 N/A LYS 56.A N ASN 53.A OD1 no hydrogen 2.941 N/A LYS 56.A NZ LYS 51.A O no hydrogen 2.853 N/A LEU 57.A N ASN 53.A O no hydrogen 2.905 N/A SER 58.A N TYR 54.A O no hydrogen 2.702 N/A SER 58.A OG TYR 54.A O no hydrogen 2.914 N/A SER 58.A OG GLU 55.A O no hydrogen 2.962 N/A ARG 59.A N LYS 56.A O no hydrogen 3.034 N/A ARG 59.A NH1 ARG 59.A O no hydrogen 2.940 N/A GLY 60.A N LYS 56.A O no hydrogen 3.232 N/A LEU 61.A N LEU 57.A O no hydrogen 3.147 N/A ARG 62.A N SER 58.A O no hydrogen 2.907 N/A ARG 62.A NH1 SER 58.A OG no hydrogen 3.012 N/A TYR 63.A N ARG 59.A O no hydrogen 3.233 N/A TYR 63.A N GLY 60.A O no hydrogen 3.003 N/A TYR 64.A N LEU 61.A O no hydrogen 2.845 N/A ASN 68.A N TYR 65.A O no hydrogen 3.238 N/A ILE 69.A N TYR 64.A O no hydrogen 3.415 N/A HIS 71.A N ARG 81.A O no hydrogen 2.999 N/A HIS 71.A NE2 TYR 65.A O no hydrogen 3.096 N/A HIS 71.A NE2 ASN 68.A OD1 no hydrogen 2.964 N/A LYS 72.A NZ THR 73.A O no hydrogen 2.830 N/A LYS 72.A NZ LYS 76.A O no hydrogen 2.753 N/A LYS 72.A NZ VAL 79.A O no hydrogen 3.041 N/A THR 73.A N VAL 79.A O no hydrogen 2.928 N/A THR 73.A OG1 GLU 30.A OE1 no hydrogen 2.871 N/A LYS 76.A N THR 73.A O no hydrogen 3.281 N/A VAL 79.A N LYS 76.A O no hydrogen 3.059 N/A TYR 80.A N PHE 31.A O no hydrogen 3.075 N/A TYR 80.A OH TYR 54.A OH no hydrogen 2.859 N/A ARG 81.A N HIS 71.A O no hydrogen 2.921 N/A ARG 81.A NH1 ASP 27.A O no hydrogen 3.271 N/A ARG 81.A NH1 ASP 27.A OD2 no hydrogen 3.264 N/A ARG 81.A NH2 ASP 27.A OD1 no hydrogen 3.150 N/A PHE 82.A N TRP 29.A O no hydrogen 3.072 N/A VAL 83.A N ILE 69.A O no hydrogen 3.042 N/A CYS 84.A SG ILE 69.A O no hydrogen 3.772 N/A SER 88.A N ASP 85.A OD1 no hydrogen 3.219 N/A SER 88.A OG ASP 85.A OD2 no hydrogen 2.577 N/A LEU 89.A N ASP 85.A O no hydrogen 3.371 N/A LEU 90.A N LEU 86.A O no hydrogen 2.698 N/A THR 93.A N GLU 96.A OE1 no hydrogen 2.917 N/A THR 93.A OG1 GLU 96.A OE1 no hydrogen 3.124 N/A GLU 96.A N THR 93.A OG1 no hydrogen 3.213 N/A LEU 97.A N THR 93.A O no hydrogen 3.080 N/A HIS 98.A N PRO 94.A O no hydrogen 2.727 N/A ALA 99.A N GLU 95.A O no hydrogen 3.158 N/A ALA 99.A N GLU 96.A O no hydrogen 3.140 N/A MET 100.A N GLU 96.A O no hydrogen 2.992 N/A LEU 101.A N LEU 97.A O no hydrogen 3.056 N/A ASP 102.A N ALA 99.A O no hydrogen 3.062 N/A VAL 103.A N HIS 98.A O no hydrogen 2.809 N/A