Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pko_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N TYR 102.A OH no hydrogen 3.380 N/A ARG 4.A N.A SER 27.A O no hydrogen 2.819 N/A ARG 4.A N.B SER 27.A O no hydrogen 2.805 N/A ILE 6.A N ARG 25.A O no hydrogen 2.818 N/A HIS 10.A ND1 PRO 11.A O no hydrogen 3.176 N/A ILE 12.A N GLU 109.A O no hydrogen 2.847 N/A ALA 14.A N LYS 111.A O no hydrogen 2.923 N/A LEU 15.A N ASP 18.A OD2 no hydrogen 2.893 N/A VAL 16.A N GLU 113.A O no hydrogen 2.808 N/A GLY 17.A N VAL 85.A O no hydrogen 2.823 N/A ASP 18.A N LEU 15.A O no hydrogen 2.871 N/A ALA 20.A N ILE 82.A O no hydrogen 2.877 N/A LEU 22.A N LEU 80.A O no hydrogen 2.811 N/A CYS 24.A N.A VAL 78.A O no hydrogen 3.020 N/A CYS 24.A N.B VAL 78.A O no hydrogen 3.039 N/A CYS 24.A SG.B PRO 23.A O no hydrogen 3.027 N/A ARG 25.A N ILE 6.A O no hydrogen 2.936 N/A ILE 26.A N GLY 76.A O no hydrogen 2.913 N/A SER 27.A N ARG 4.A O.A no hydrogen 2.834 N/A SER 27.A N ARG 4.A O.B no hydrogen 2.813 N/A ALA 32.A N ILE 73.A O no hydrogen 2.960 N/A THR 33.A N ASN 31.A OD1 no hydrogen 2.945 N/A THR 33.A OG1 ASN 31.A OD1 no hydrogen 2.650 N/A GLU 35.A N ARG 98.A O no hydrogen 3.002 N/A VAL 36.A N TYR 48.A O no hydrogen 2.819 N/A GLY 37.A N PHE 96.A O no hydrogen 3.006 N/A TRP 38.A N HIS 46.A O no hydrogen 2.850 N/A TYR 39.A N THR 94.A O no hydrogen 2.827 N/A ARG 40.A N ARG 43.A O no hydrogen 2.856 N/A ARG 40.A NE GLY 92.A O no hydrogen 2.835 N/A ARG 40.A NH1 TYR 62.A OH.A no hydrogen 3.211 N/A ARG 40.A NH1 SER 88.A O no hydrogen 3.128 N/A ARG 40.A NH2 GLU 90.A O no hydrogen 2.995 N/A ARG 40.A NH2 GLY 92.A O no hydrogen 3.112 N/A SER 41.A N GLY 92.A O no hydrogen 3.078 N/A SER 41.A OG THR 94.A OG1 no hydrogen 2.667 N/A ARG 43.A NE GLU 61.A OE2 no hydrogen 2.992 N/A ARG 43.A NH2 GLU 61.A OE1 no hydrogen 3.060 N/A ARG 43.A NH2 GLU 61.A OE2 no hydrogen 3.347 N/A VAL 45.A N TRP 38.A O no hydrogen 2.788 N/A HIS 46.A N TRP 38.A O no hydrogen 3.347 N/A HIS 46.A ND1 THR 66.A OG1 no hydrogen 2.887 N/A HIS 46.A NE2 ASP 53.A OD1 no hydrogen 2.883 N/A TYR 48.A N VAL 36.A O no hydrogen 2.799 N/A TYR 48.A OH THR 33.A O no hydrogen 2.705 N/A ARG 49.A N LYS 52.A O no hydrogen 3.012 N/A ARG 49.A NH1 GLU 35.A OE1 no hydrogen 3.054 N/A ARG 49.A NH1 GLU 57.A OE1 no hydrogen 2.868 N/A ARG 49.A NH2 GLU 57.A OE1 no hydrogen 3.203 N/A ARG 49.A NH2 GLU 57.A OE2 no hydrogen 3.334 N/A LYS 52.A N ARG 49.A O no hydrogen 3.219 N/A GLN 54.A N LEU 47.A O.A no hydrogen 2.690 N/A GLN 54.A N LEU 47.A O.B no hydrogen 2.747 N/A GLN 54.A NE2 ARG 49.A O no hydrogen 2.938 N/A GLN 54.A NE2 LYS 52.A O no hydrogen 3.532 N/A GLU 57.A N GLN 54.A O no hydrogen 3.192 N/A GLN 58.A NE2 VAL 45.A O no hydrogen 2.847 N/A GLN 58.A NE2 THR 66.A OG1 no hydrogen 3.025 N/A ALA 59.A N VAL 44.A O no hydrogen 2.728 N/A GLU 61.A N GLU 61.A OE1 no hydrogen 2.422 N/A TYR 62.A OH.A ASP 89.A OD1 no hydrogen 2.873 N/A TYR 62.A OH.A TYR 93.A OH no hydrogen 2.880 N/A ARG 63.A N PRO 60.A O no hydrogen 3.293 N/A ARG 63.A NH1 ASP 55.A O no hydrogen 2.764 N/A ARG 65.A N.A TYR 62.A O.A no hydrogen 3.005 N/A ARG 65.A N.A TYR 62.A O.B no hydrogen 2.818 N/A ARG 65.A N.B TYR 62.A O.A no hydrogen 2.990 N/A ARG 65.A N.B TYR 62.A O.B no hydrogen 2.801 N/A ARG 65.A NE.A GLU 61.A O no hydrogen 3.090 N/A ARG 65.A NH1.A GLN 83.A O no hydrogen 2.918 N/A ARG 65.A NH1.A ASP 89.A OD2 no hydrogen 2.891 N/A ARG 65.A NH1.B GLU 61.A O no hydrogen 2.884 N/A ARG 65.A NH1.B ASP 89.A OD1 no hydrogen 3.192 N/A ARG 65.A NH2.A GLU 61.A O no hydrogen 3.094 N/A ARG 65.A NH2.A ASP 89.A OD1 no hydrogen 2.696 N/A ARG 65.A NH2.A ASP 89.A OD2 no hydrogen 3.462 N/A ARG 65.A NH2.B GLN 83.A O no hydrogen 2.941 N/A ARG 65.A NH2.B ASN 84.A O no hydrogen 2.924 N/A ARG 65.A NH2.B ASP 89.A OD2 no hydrogen 2.875 N/A THR 66.A OG1 HIS 46.A ND1 no hydrogen 2.887 N/A GLU 67.A N ARG 81.A O no hydrogen 2.997 N/A LEU 69.A N.A ALA 79.A O no hydrogen 2.767 N/A LEU 69.A N.B ALA 79.A O no hydrogen 2.772 N/A LYS 70.A NZ ASP 53.A OD1 no hydrogen 2.903 N/A LYS 70.A NZ ASP 53.A OD2 no hydrogen 3.436 N/A LYS 70.A NZ LEU 68.A O no hydrogen 2.883 N/A ILE 73.A N LYS 70.A O no hydrogen 2.956 N/A GLU 75.A N SER 72.A O no hydrogen 2.903 N/A GLY 76.A N ILE 73.A O no hydrogen 2.963 N/A LYS 77.A N SER 72.A O no hydrogen 3.188 N/A VAL 78.A N CYS 24.A O.A no hydrogen 2.954 N/A VAL 78.A N CYS 24.A O.B no hydrogen 2.972 N/A ALA 79.A N LEU 69.A O.A no hydrogen 3.376 N/A ALA 79.A N LEU 69.A O.B no hydrogen 3.404 N/A LEU 80.A N LEU 22.A O no hydrogen 2.803 N/A ARG 81.A N GLU 67.A O no hydrogen 2.782 N/A ARG 81.A NE GLU 21.A OE2 no hydrogen 2.819 N/A ARG 81.A NH1 GLU 67.A OE2 no hydrogen 3.082 N/A ARG 81.A NH2 GLU 21.A OE2 no hydrogen 2.837 N/A ILE 82.A N ALA 20.A O no hydrogen 2.849 N/A GLN 83.A N ARG 65.A O.A no hydrogen 2.943 N/A GLN 83.A N ARG 65.A O.B no hydrogen 2.831 N/A VAL 85.A N ASP 18.A O no hydrogen 2.899 N/A ARG 86.A N ASP 89.A OD2 no hydrogen 2.904 N/A ARG 86.A NE SER 88.A OG no hydrogen 2.990 N/A ASP 89.A N ARG 86.A O no hydrogen 2.917 N/A GLU 90.A N PHE 87.A O no hydrogen 2.975 N/A GLY 91.A N LEU 110.A O no hydrogen 2.832 N/A TYR 93.A N VAL 108.A O no hydrogen 2.796 N/A TYR 93.A OH TYR 62.A OH.A no hydrogen 2.880 N/A TYR 93.A OH ASP 89.A O no hydrogen 2.681 N/A THR 94.A N TYR 39.A O no hydrogen 2.840 N/A THR 94.A OG1 SER 41.A OG no hydrogen 2.667 N/A CYS 95.A N.A ALA 106.A O no hydrogen 2.932 N/A CYS 95.A N.B ALA 106.A O no hydrogen 2.944 N/A CYS 95.A SG.B ALA 106.A O no hydrogen 3.594 N/A PHE 96.A N GLY 37.A O no hydrogen 2.851 N/A PHE 97.A N GLU 104.A O no hydrogen 3.076 N/A ARG 98.A N GLU 35.A O no hydrogen 2.798 N/A ARG 98.A NE GLU 35.A OE2 no hydrogen 2.681 N/A ARG 98.A NH1 HIS 100.A O no hydrogen 2.822 N/A ASP 99.A N TYR 102.A O no hydrogen 2.774 N/A TYR 102.A N ASP 99.A O no hydrogen 3.059 N/A TYR 102.A OH PHE 3.A O no hydrogen 2.665 N/A GLU 104.A N PHE 97.A O no hydrogen 3.130 N/A GLU 105.A N GLU 104.A OE1 no hydrogen 2.873 N/A ALA 106.A N CYS 95.A O.A no hydrogen 2.919 N/A ALA 106.A N CYS 95.A O.B no hydrogen 2.984 N/A VAL 108.A N TYR 93.A O no hydrogen 2.908 N/A LEU 110.A N GLY 91.A O no hydrogen 2.883 N/A LYS 111.A N ILE 12.A O no hydrogen 2.770 N/A LYS 111.A NZ GLU 109.A OE2 no hydrogen 3.320 N/A VAL 112.A N GLU 90.A OE2 no hydrogen 2.954 N/A GLU 113.A N ALA 14.A O no hydrogen 2.979 N/A PHE 116.A N ASP 114.A OD1 no hydrogen 2.891 N/A ILE 119.A N PHE 116.A O no hydrogen 3.157 N/A