Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pka_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N TYR 5.A O no hydrogen 2.919 N/A ILE 7.A N PRO 2.A O no hydrogen 3.243 N/A SER 9.A N ASP 6.A OD1 no hydrogen 3.090 N/A SER 9.A OG ASP 6.A OD1 no hydrogen 3.465 N/A SER 9.A OG ASP 6.A OD2 no hydrogen 2.555 N/A ARG 10.A N ASP 6.A O no hydrogen 3.031 N/A ARG 10.A NH1 ARG 10.A O no hydrogen 2.833 N/A ARG 10.A NH1 ASP 14.A OD2 no hydrogen 2.683 N/A ARG 10.A NH2 ASP 14.A OD2 no hydrogen 3.434 N/A LEU 11.A N ILE 7.A O no hydrogen 2.972 N/A LEU 12.A N TYR 8.A O no hydrogen 2.956 N/A LYS 13.A N SER 9.A O no hydrogen 3.211 N/A ASP 14.A N LEU 11.A O no hydrogen 2.939 N/A ARG 15.A N LEU 12.A O no hydrogen 2.916 N/A ARG 15.A NE ASP 46.A O no hydrogen 2.964 N/A ARG 15.A NH1 LEU 38.A O no hydrogen 2.866 N/A ARG 15.A NH2 LEU 38.A O no hydrogen 3.355 N/A ARG 15.A NH2 ASP 42.A O no hydrogen 2.838 N/A ARG 15.A NH2 LYS 45.A O no hydrogen 2.918 N/A ILE 16.A N LEU 11.A O no hydrogen 3.056 N/A ILE 17.A N TYR 48.A O no hydrogen 2.778 N/A LEU 19.A N TYR 50.A O no hydrogen 2.813 N/A SER 21.A OG GLN 22.A O no hydrogen 3.234 N/A ILE 23.A N GLY 55.A O no hydrogen 2.769 N/A VAL 27.A N ASP 24.A OD1 no hydrogen 2.971 N/A ALA 28.A N ASP 24.A O no hydrogen 2.995 N/A ASN 29.A N ASP 25.A O no hydrogen 2.816 N/A SER 30.A N ASN 26.A O no hydrogen 3.156 N/A ILE 31.A N VAL 27.A O no hydrogen 2.942 N/A VAL 32.A N ALA 28.A O no hydrogen 2.842 N/A SER 33.A N ASN 29.A O no hydrogen 3.068 N/A SER 33.A OG ASN 29.A O no hydrogen 2.774 N/A GLN 34.A N SER 30.A O no hydrogen 2.949 N/A GLN 34.A NE2 SER 30.A O no hydrogen 3.216 N/A GLN 34.A NE2 SER 30.A OG no hydrogen 2.967 N/A LEU 35.A N ILE 31.A O no hydrogen 2.904 N/A LEU 36.A N VAL 32.A O no hydrogen 3.039 N/A PHE 37.A N SER 33.A O no hydrogen 2.986 N/A LEU 38.A N GLN 34.A O no hydrogen 2.936 N/A GLN 39.A N LEU 35.A O no hydrogen 3.010 N/A ALA 40.A N LEU 36.A O no hydrogen 3.038 N/A GLN 41.A N PHE 37.A O no hydrogen 2.991 N/A ASP 42.A N LEU 38.A O no hydrogen 3.018 N/A SER 43.A OG GLU 44.A OE1 no hydrogen 2.703 N/A GLU 44.A N ASP 42.A OD1 no hydrogen 2.953 N/A LYS 45.A N ASP 42.A OD1 no hydrogen 3.130 N/A ILE 47.A N ASP 74.A O no hydrogen 2.934 N/A TYR 48.A N ARG 15.A O no hydrogen 2.953 N/A LEU 49.A N GLN 76.A O no hydrogen 2.763 N/A TYR 50.A N ILE 17.A O no hydrogen 2.958 N/A ILE 51.A N ILE 78.A O no hydrogen 2.784 N/A ASN 52.A N LEU 19.A O no hydrogen 2.884 N/A SER 53.A N MET 82.A O no hydrogen 2.903 N/A SER 53.A OG SER 21.A O no hydrogen 2.767 N/A GLY 55.A N SER 53.A OG no hydrogen 3.073 N/A SER 57.A N ILE 23.A O no hydrogen 2.796 N/A THR 59.A OG1 SER 57.A OG no hydrogen 3.180 N/A ALA 60.A N SER 57.A OG no hydrogen 3.134 N/A GLY 61.A N SER 57.A O no hydrogen 2.985 N/A PHE 62.A N VAL 58.A O no hydrogen 2.886 N/A ALA 63.A N THR 59.A O no hydrogen 3.037 N/A ILE 64.A N ALA 60.A O no hydrogen 3.337 N/A TYR 65.A N GLY 61.A O no hydrogen 2.915 N/A ASP 66.A N PHE 62.A O no hydrogen 2.912 N/A THR 67.A N ALA 63.A O no hydrogen 3.191 N/A THR 67.A OG1 ALA 63.A O no hydrogen 2.800 N/A ILE 68.A N ILE 64.A O no hydrogen 2.941 N/A GLN 69.A N TYR 65.A O no hydrogen 3.097 N/A GLN 69.A NE2 TYR 65.A O no hydrogen 3.623 N/A GLN 69.A NE2 ALA 93.A O no hydrogen 3.222 N/A HIS 70.A N ASP 66.A O no hydrogen 2.936 N/A ILE 71.A N THR 67.A O no hydrogen 3.136 N/A LYS 72.A N GLN 39.A OE1 no hydrogen 2.871 N/A GLN 76.A N ILE 47.A O no hydrogen 2.810 N/A GLN 76.A NE2 ASP 46.A OD2 no hydrogen 2.756 N/A THR 77.A N LYS 98.A O no hydrogen 3.095 N/A THR 77.A OG1 LEU 91.A O no hydrogen 2.772 N/A ILE 78.A N LEU 49.A O no hydrogen 2.980 N/A CYS 79.A N PHE 100.A O no hydrogen 2.877 N/A ILE 80.A N ILE 51.A O no hydrogen 2.940 N/A MET 82.A N ASN 52.A OD1 no hydrogen 3.190 N/A MET 82.A N ILE 80.A O no hydrogen 2.903 N/A ALA 83.A N GLU 106.A O no hydrogen 2.865 N/A ALA 84.A N SER 53.A O no hydrogen 3.073 N/A SER 85.A N MET 108.A O no hydrogen 2.954 N/A SER 85.A OG HIS 110.A NE2 no hydrogen 2.794 N/A GLY 87.A N ALA 84.A O no hydrogen 2.805 N/A SER 88.A N SER 85.A O no hydrogen 2.928 N/A SER 88.A OG SER 85.A O no hydrogen 2.808 N/A SER 88.A OG MET 108.A O no hydrogen 2.980 N/A PHE 89.A N SER 85.A O no hydrogen 3.139 N/A LEU 90.A N MET 86.A O no hydrogen 3.041 N/A LEU 91.A N GLY 87.A O no hydrogen 3.045 N/A ALA 92.A N SER 88.A O no hydrogen 3.030 N/A ALA 93.A N LEU 90.A O no hydrogen 3.036 N/A GLY 94.A N LEU 91.A O no hydrogen 3.422 N/A ALA 95.A N VAL 75.A O no hydrogen 2.842 N/A LYS 96.A NZ ARG 144.A O no hydrogen 2.800 N/A GLY 97.A N ASP 174.A OD2 no hydrogen 2.873 N/A LYS 98.A N ALA 95.A O no hydrogen 2.859 N/A LYS 98.A NZ ASP 46.A OD1 no hydrogen 3.479 N/A LYS 98.A NZ ASP 46.A OD2 no hydrogen 2.902 N/A LYS 98.A NZ ASP 74.A OD2 no hydrogen 2.793 N/A ARG 99.A N ASP 174.A OD2 no hydrogen 3.030 N/A ARG 99.A NE ASP 174.A OD2 no hydrogen 2.965 N/A ARG 99.A NH1 ALA 92.A O no hydrogen 2.995 N/A ARG 99.A NH1 ARG 144.A O no hydrogen 3.134 N/A ARG 99.A NH1 GLY 171.A O no hydrogen 3.278 N/A ARG 99.A NH2 GLY 171.A O no hydrogen 3.349 N/A ARG 99.A NH2 ASP 174.A OD1 no hydrogen 2.791 N/A PHE 100.A N THR 77.A O no hydrogen 2.772 N/A ALA 101.A N GLU 175.A O no hydrogen 3.337 N/A LEU 102.A N CYS 79.A O no hydrogen 3.043 N/A ALA 105.A N LEU 102.A O no hydrogen 3.102 N/A GLU 106.A N GLY 81.A O no hydrogen 2.879 N/A VAL 107.A N LEU 162.A O no hydrogen 3.020 N/A MET 108.A N ALA 83.A O no hydrogen 2.956 N/A ILE 109.A N ASN 160.A O no hydrogen 3.070 N/A HIS 110.A ND1 ASP 159.A OD1 no hydrogen 2.800 N/A GLN 111.A NE2 ASP 157.A O no hydrogen 2.969 N/A GLN 119.A N GLU 122.A OE2 no hydrogen 2.844 N/A ILE 123.A N GLN 119.A O no hydrogen 2.997 N/A GLU 124.A N ALA 120.A O no hydrogen 2.952 N/A ILE 125.A N THR 121.A O no hydrogen 3.134 N/A ALA 126.A N GLU 122.A O no hydrogen 3.083 N/A ALA 127.A N ILE 123.A O no hydrogen 2.856 N/A ASN 128.A N GLU 124.A O no hydrogen 2.905 N/A HIS 129.A N ILE 125.A O no hydrogen 2.974 N/A ILE 130.A N ALA 126.A O no hydrogen 3.003 N/A LEU 131.A N ALA 127.A O no hydrogen 2.931 N/A LYS 132.A N ASN 128.A O no hydrogen 2.974 N/A THR 133.A N HIS 129.A O no hydrogen 2.935 N/A THR 133.A OG1 HIS 129.A O no hydrogen 2.977 N/A ARG 134.A N ILE 130.A O no hydrogen 2.939 N/A ARG 134.A NH2 THR 156.A OG1 no hydrogen 3.050 N/A GLU 135.A N LEU 131.A O no hydrogen 2.981 N/A LYS 136.A N LYS 132.A O no hydrogen 3.014 N/A LEU 137.A N THR 133.A O no hydrogen 2.961 N/A ASN 138.A N ARG 134.A O no hydrogen 2.888 N/A ARG 139.A N GLU 135.A O no hydrogen 2.970 N/A ILE 140.A N LYS 136.A O no hydrogen 3.132 N/A LEU 141.A N LEU 137.A O no hydrogen 2.901 N/A SER 142.A N ASN 138.A O no hydrogen 2.857 N/A SER 142.A OG GLN 147.A O no hydrogen 2.519 N/A GLU 143.A N ARG 139.A O no hydrogen 3.097 N/A ARG 144.A N ILE 140.A O no hydrogen 2.920 N/A ARG 144.A NE ALA 92.A O no hydrogen 3.069 N/A ARG 144.A NH1 ALA 92.A O no hydrogen 3.509 N/A THR 145.A N LEU 141.A O no hydrogen 2.888 N/A THR 145.A OG1 LEU 141.A O no hydrogen 2.697 N/A GLY 146.A N SER 142.A O no hydrogen 2.841 N/A GLN 147.A N THR 145.A OG1 no hydrogen 3.112 N/A GLN 147.A NE2 TYR 170.A O no hydrogen 2.902 N/A LYS 151.A N SER 148.A OG no hydrogen 3.043 N/A LYS 151.A NZ ASP 155.A OD2 no hydrogen 2.802 N/A ILE 152.A N SER 148.A O no hydrogen 3.008 N/A GLN 153.A N ILE 149.A O no hydrogen 2.943 N/A LYS 154.A N GLU 150.A O no hydrogen 3.169 N/A ASP 155.A N LYS 151.A O no hydrogen 2.898 N/A THR 156.A N ILE 152.A O no hydrogen 2.994 N/A THR 156.A OG1 ILE 152.A O no hydrogen 2.660 N/A THR 156.A OG1 GLN 153.A O no hydrogen 3.311 N/A ASP 157.A N LYS 154.A O no hydrogen 3.469 N/A ASN 160.A N ILE 109.A O no hydrogen 2.997 N/A ASN 160.A ND2 ASP 155.A O no hydrogen 3.032 N/A LEU 162.A N VAL 107.A O no hydrogen 2.681 N/A THR 163.A N GLU 166.A OE1 no hydrogen 3.033 N/A GLU 166.A N THR 163.A OG1 no hydrogen 3.070 N/A ALA 167.A N THR 163.A O no hydrogen 2.840 N/A LYS 168.A N ALA 164.A O no hydrogen 2.937 N/A LYS 168.A NZ GLU 175.A OE1 no hydrogen 3.375 N/A GLU 169.A N GLU 165.A O no hydrogen 3.006 N/A TYR 170.A N GLU 166.A O no hydrogen 2.875 N/A TYR 170.A OH ASP 155.A OD2 no hydrogen 2.645 N/A GLY 171.A N ALA 167.A O no hydrogen 3.083 N/A GLY 171.A N LYS 168.A O no hydrogen 3.072 N/A LEU 172.A N ALA 167.A O no hydrogen 2.965 N/A ASP 174.A N ARG 99.A O no hydrogen 2.803 N/A GLU 175.A N ARG 99.A O no hydrogen 3.242 N/A MET 177.A N ALA 101.A O no hydrogen 2.903 N/A