Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N SER 1.A O no hydrogen 2.993 N/A ILE 6.A N PRO 2.A O no hydrogen 3.152 N/A GLU 7.A N ALA 3.A O no hydrogen 3.298 N/A MET 8.A N LYS 4.A O no hydrogen 2.977 N/A LEU 9.A N LEU 5.A O no hydrogen 2.717 N/A TYR 10.A N ILE 6.A O no hydrogen 2.813 N/A TYR 10.A OH TYR 66.A OH no hydrogen 2.902 N/A GLU 11.A N GLU 7.A O no hydrogen 2.792 N/A GLY 12.A N MET 8.A O no hydrogen 2.721 N/A ILE 13.A N LEU 9.A O no hydrogen 3.016 N/A LEU 14.A N TYR 10.A O no hydrogen 3.073 N/A ARG 15.A N GLU 11.A O no hydrogen 2.853 N/A PHE 16.A N GLY 12.A O no hydrogen 3.077 N/A SER 17.A N ILE 13.A O no hydrogen 2.932 N/A SER 17.A OG ILE 13.A O no hydrogen 2.976 N/A SER 18.A N LEU 14.A O no hydrogen 3.143 N/A GLN 19.A N ARG 15.A O no hydrogen 3.053 N/A ALA 20.A N PHE 16.A O no hydrogen 2.665 N/A LYS 21.A N SER 17.A O no hydrogen 2.742 N/A LYS 21.A NZ ASP 86.A OD1 no hydrogen 2.976 N/A ARG 22.A N SER 18.A O no hydrogen 2.957 N/A CYS 23.A N GLN 19.A O no hydrogen 3.092 N/A CYS 23.A SG GLN 19.A O no hydrogen 3.704 N/A ILE 24.A N ALA 20.A O no hydrogen 3.271 N/A GLU 25.A N LYS 21.A O no hydrogen 3.340 N/A ASN 26.A N ARG 22.A O no hydrogen 2.818 N/A GLU 27.A N ILE 24.A O no hydrogen 3.303 N/A ASP 28.A N CYS 23.A O no hydrogen 2.931 N/A LYS 31.A N ASP 28.A OD1 no hydrogen 3.397 N/A LYS 32.A N ASP 28.A O no hydrogen 3.007 N/A LYS 32.A NZ ASN 77.A O no hydrogen 3.312 N/A LYS 32.A NZ ASN 77.A OD1 no hydrogen 2.986 N/A LYS 32.A NZ ASN 80.A OD1 no hydrogen 3.211 N/A ILE 33.A N ILE 29.A O no hydrogen 2.913 N/A TYR 34.A N GLU 30.A O no hydrogen 2.882 N/A TYR 35.A N LYS 31.A O no hydrogen 2.826 N/A ILE 36.A N LYS 32.A O no hydrogen 2.928 N/A ASN 37.A N ILE 33.A O no hydrogen 3.047 N/A ARG 38.A N TYR 34.A O no hydrogen 2.991 N/A ARG 38.A NE TYR 34.A OH no hydrogen 3.564 N/A VAL 39.A N TYR 35.A O no hydrogen 2.857 N/A THR 40.A N ILE 36.A O no hydrogen 2.819 N/A ASP 41.A N ASN 37.A O no hydrogen 2.982 N/A ILE 42.A N ARG 38.A O no hydrogen 3.493 N/A PHE 43.A N VAL 39.A O no hydrogen 3.323 N/A THR 44.A N THR 40.A O no hydrogen 2.950 N/A THR 44.A OG1 THR 40.A O no hydrogen 2.779 N/A GLU 45.A N ASP 41.A O no hydrogen 2.790 N/A LEU 46.A N ILE 42.A O no hydrogen 2.897 N/A LEU 47.A N PHE 43.A O no hydrogen 3.096 N/A ASN 48.A N THR 44.A O no hydrogen 3.182 N/A ASN 48.A N GLU 45.A O no hydrogen 3.187 N/A ILE 49.A N GLU 45.A O no hydrogen 3.157 N/A TYR 52.A OH THR 63.A OG1 no hydrogen 3.339 N/A GLU 53.A N ASP 51.A O no hydrogen 2.798 N/A VAL 60.A N GLY 56.A O no hydrogen 2.595 N/A TYR 61.A N GLU 57.A O no hydrogen 3.217 N/A LEU 62.A N VAL 58.A O no hydrogen 2.744 N/A THR 63.A N ALA 59.A O no hydrogen 2.968 N/A THR 63.A OG1 TYR 52.A OH no hydrogen 3.339 N/A THR 63.A OG1 ALA 59.A O no hydrogen 2.529 N/A GLY 64.A N VAL 60.A O no hydrogen 3.099 N/A LEU 65.A N TYR 61.A O no hydrogen 3.020 N/A TYR 66.A N LEU 62.A O no hydrogen 2.704 N/A TYR 66.A OH TYR 10.A OH no hydrogen 2.902 N/A THR 67.A N THR 63.A O no hydrogen 2.907 N/A THR 67.A OG1 THR 63.A O no hydrogen 2.964 N/A THR 67.A OG1 GLY 64.A O no hydrogen 3.062 N/A HIS 68.A N GLY 64.A O no hydrogen 2.799 N/A GLN 69.A N LEU 65.A O no hydrogen 2.765 N/A GLN 69.A NE2 LEU 65.A O no hydrogen 3.290 N/A ILE 70.A N TYR 66.A O no hydrogen 3.182 N/A LYS 71.A N THR 67.A O no hydrogen 3.096 N/A VAL 72.A N HIS 68.A O no hydrogen 2.911 N/A LEU 73.A N GLN 69.A O no hydrogen 2.880 N/A THR 74.A N ILE 70.A O no hydrogen 3.102 N/A THR 74.A OG1 ILE 70.A O no hydrogen 3.542 N/A GLN 75.A N LYS 71.A O no hydrogen 3.197 N/A ALA 76.A N VAL 72.A O no hydrogen 2.934 N/A ASN 77.A N LEU 73.A O no hydrogen 3.088 N/A VAL 78.A N THR 74.A O no hydrogen 2.804 N/A GLU 79.A N GLN 75.A O no hydrogen 2.976 N/A ASN 80.A N ASN 77.A O no hydrogen 3.128 N/A ASP 81.A N ALA 76.A O no hydrogen 2.750 N/A SER 83.A N ASP 81.A OD1 no hydrogen 3.229 N/A SER 83.A OG ASP 81.A OD1 no hydrogen 2.825 N/A LYS 84.A N ASP 81.A O no hydrogen 3.019 N/A LYS 84.A NZ GLU 79.A OE2 no hydrogen 3.213 N/A ILE 85.A N ASP 81.A O no hydrogen 3.350 N/A ASP 86.A N ALA 82.A O no hydrogen 3.228 N/A LEU 87.A N SER 83.A O no hydrogen 3.267 N/A LEU 87.A N LYS 84.A O no hydrogen 3.160 N/A VAL 88.A N LYS 84.A O no hydrogen 3.343 N/A LEU 89.A N ILE 85.A O no hydrogen 2.776 N/A ASN 90.A N ASP 86.A O no hydrogen 2.895 N/A VAL 91.A N LEU 87.A O no hydrogen 3.403 N/A ALA 92.A N VAL 88.A O no hydrogen 2.820 N/A ARG 93.A N LEU 89.A O no hydrogen 2.751 N/A ARG 93.A NH1 ASN 90.A OD1 no hydrogen 2.997 N/A GLY 94.A N ASN 90.A O no hydrogen 2.793 N/A LEU 95.A N VAL 91.A O no hydrogen 2.910 N/A LEU 96.A N ALA 92.A O no hydrogen 3.122 N/A GLU 97.A N ARG 93.A O no hydrogen 3.302 N/A TRP 99.A N LEU 95.A O no hydrogen 2.899 N/A TRP 99.A NE1 ALA 3.A O no hydrogen 3.010 N/A ARG 100.A N LEU 96.A O no hydrogen 2.861 N/A ARG 100.A NE GLU 7.A OE2 no hydrogen 2.830 N/A GLU 101.A N ALA 98.A O no hydrogen 3.160 N/A ILE 102.A N ALA 98.A O no hydrogen 3.420 N/A