Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hki_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N ASN 143.A O no hydrogen 2.990 N/A ILE 1.A N ASP 201.A OD2 no hydrogen 2.823 N/A VAL 2.A N ASP 196.A O no hydrogen 2.816 N/A TRP 5.A N VAL 159.A O no hydrogen 3.004 N/A ALA 7.A N LEU 157.A O no hydrogen 2.895 N/A ILE 11.A N GLU 8.A O no hydrogen 2.830 N/A GLN 15.A N ALA 12.A O no hydrogen 2.865 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 3.451 N/A VAL 16.A N ALA 30.A O no hydrogen 2.657 N/A MET 17.A N ARG 62.A O no hydrogen 2.893 N/A LEU 18.A N CYS 28.A O no hydrogen 2.900 N/A PHE 19.A N LEU 60.A O no hydrogen 2.798 N/A ARG 20.A N GLU 25.A O no hydrogen 2.727 N/A LYS 21.A N ASP 58.A O no hydrogen 2.949 N/A LYS 21.A NZ ASN 57.A O no hydrogen 2.803 N/A GLU 25.A N ARG 20.A O no hydrogen 3.205 N/A LEU 27.A N LEU 18.A O no hydrogen 2.882 N/A CYS 28.A N LEU 18.A O no hydrogen 3.425 N/A CYS 28.A SG LEU 27.A O no hydrogen 2.981 N/A GLY 29.A N SER 202.A O no hydrogen 2.780 N/A SER 31.A N LEU 39.A O no hydrogen 2.764 N/A LEU 32.A N TRP 14.A O no hydrogen 2.867 N/A ILE 33.A N TRP 37.A O no hydrogen 2.892 N/A ARG 36.A N SER 34.A OG no hydrogen 3.137 N/A TRP 37.A N SER 34.A OG no hydrogen 3.058 N/A VAL 38.A N LEU 103.A O no hydrogen 3.090 N/A LEU 39.A N SER 31.A O no hydrogen 2.744 N/A THR 40.A N ALA 101.A O no hydrogen 3.320 N/A THR 40.A OG1 GLY 29.A O no hydrogen 2.954 N/A ALA 41.A N THR 40.A OG1 no hydrogen 2.680 N/A HIS 43.A N ASP 99.A OD1 no hydrogen 2.818 N/A HIS 43.A ND1 ASP 99.A OD2 no hydrogen 2.660 N/A HIS 43.A NE2 SER 202.A OG no hydrogen 3.090 N/A CYS 44.A N ALA 41.A O no hydrogen 2.947 N/A ILE 45.A N ALA 42.A O no hydrogen 2.905 N/A LEU 46.A N ALA 42.A O no hydrogen 2.903 N/A ASN 57.A N THR 55I.A OG1 no hydrogen 2.954 N/A ASP 58.A N THR 55I.A O no hydrogen 3.024 N/A LEU 60.A N PHE 19.A O no hydrogen 2.992 N/A VAL 61.A N SER 79.A O no hydrogen 3.185 N/A ARG 62.A N MET 17.A O no hydrogen 2.915 N/A ARG 62.A NE GLU 76.A OE1 no hydrogen 2.753 N/A ARG 62.A NH1 GLU 76.A OE1 no hydrogen 2.917 N/A ARG 62.A NH1 GLU 76.A OE2 no hydrogen 2.963 N/A ILE 63.A N LYS 77.A O no hydrogen 2.762 N/A LYS 65.A NZ ARG 70.A O no hydrogen 2.773 N/A LYS 65.A NZ GLU 72.A OE2 no hydrogen 2.816 N/A LYS 65.A NZ GLU 76.A OE2 no hydrogen 2.786 N/A HIS 66.A N GLU 72.A OE1 no hydrogen 3.156 N/A HIS 66.A N GLU 72.A OE2 no hydrogen 2.727 N/A SER 67.A N GLU 72.A OE1 no hydrogen 2.921 N/A ARG 68.A N SER 155.A O no hydrogen 2.965 N/A ARG 68.A NE PRO 154.A O no hydrogen 2.765 N/A ARG 70.A N SER 67.A OG no hydrogen 2.945 N/A GLU 72.A N GLU 76.A OE2 no hydrogen 2.623 N/A VAL 75.A N GLU 72.A O no hydrogen 2.791 N/A GLU 76.A N GLU 72.A O no hydrogen 2.806 N/A LYS 77.A N ILE 63.A O no hydrogen 2.784 N/A LYS 77.A NZ GLU 76.A O no hydrogen 3.281 N/A SER 79.A N VAL 61.A O no hydrogen 3.060 N/A GLU 82.A N LYS 104.A O no hydrogen 2.665 N/A LYS 83.A N LYS 104.A O no hydrogen 3.466 N/A TYR 85.A N LEU 102.A O no hydrogen 2.589 N/A HIS 87.A N ILE 100.A O no hydrogen 3.360 N/A ARG 89.A N HIS 87.A ND1 no hydrogen 2.588 N/A TYR 90.A N HIS 87.A O no hydrogen 3.036 N/A TYR 90.A OH LEU 46.A O no hydrogen 2.892 N/A ASN 91.A N ASP 97.A O no hydrogen 2.848 N/A ASN 95.A N ASN 91.A OD1 no hydrogen 3.163 N/A ASN 95.A ND2 ARG 177.A O no hydrogen 2.780 N/A LEU 96.A N ASN 91.A O no hydrogen 2.537 N/A ILE 100.A N ARG 98.A O no hydrogen 2.924 N/A ALA 101.A N THR 40.A O no hydrogen 3.027 N/A LEU 102.A N TYR 85.A O no hydrogen 2.671 N/A LEU 103.A N VAL 38.A O no hydrogen 2.946 N/A LYS 104.A N LYS 83.A O no hydrogen 2.846 N/A LYS 104.A NZ GLU 82.A OE1 no hydrogen 2.970 N/A LYS 104.A NZ PHE 254.A O no hydrogen 3.133 N/A LEU 105.A N ARG 36.A O no hydrogen 2.796 N/A LYS 106.A N MET 80.A O no hydrogen 2.918 N/A VAL 109.A N ASP 35.A O no hydrogen 2.924 N/A SER 112.A N ILE 115.A O no hydrogen 2.798 N/A TYR 114.A N SER 112.A OG no hydrogen 3.046 N/A ILE 115.A N SER 112.A OG no hydrogen 3.108 N/A HIS 116.A N PRO 13.A O no hydrogen 3.180 N/A VAL 118.A N LEU 32.A O no hydrogen 3.114 N/A CYS 119.A N TRP 216.A O no hydrogen 3.182 N/A LYS 123.A NZ LYS 123.A O no hydrogen 3.307 N/A THR 125.A N ASP 122.A OD2 no hydrogen 2.667 N/A THR 125.A OG1 ASP 122.A OD2 no hydrogen 2.800 N/A VAL 126.A N ASP 122.A O no hydrogen 3.013 N/A LEU 130.A N VAL 126.A O no hydrogen 2.805 N/A ARG 131.A N LEU 129C.A O no hydrogen 2.782 N/A ARG 131.A NE TYR 134.A OH no hydrogen 3.141 N/A ARG 131.A NH2 TYR 134.A OH no hydrogen 2.762 N/A GLY 133.A N ILE 164.A O no hydrogen 3.414 N/A TYR 134.A N ARG 131.A O no hydrogen 2.918 N/A GLY 136.A N LEU 162.A O no hydrogen 2.716 N/A ARG 137.A N VAL 207.A O no hydrogen 2.782 N/A ARG 137.A NE ASN 161.A OD1 no hydrogen 3.233 N/A VAL 138.A N VAL 160.A O no hydrogen 3.040 N/A THR 139.A OG1 GLN 15.A OE1 no hydrogen 2.577 N/A GLY 140.A N GLN 158.A O no hydrogen 3.044 N/A TRP 141.A NE1 HIS 66.A O no hydrogen 3.059 N/A GLY 142.A N ASP 201.A OD1 no hydrogen 2.741 N/A LEU 144.A N ILE 152.A O no hydrogen 2.503 N/A THR 147.A N ASP 229.A OD1 no hydrogen 2.549 N/A THR 147.A OG1 ASP 229.A OD1 no hydrogen 3.331 N/A THR 147.A OG1 ASP 229.A OD2 no hydrogen 2.341 N/A THR 149.A OG1 GLU 146.A OE2 no hydrogen 2.535 N/A LEU 157.A N HIS 66.A O no hydrogen 2.817 N/A GLN 158.A N GLY 140.A O no hydrogen 2.882 N/A GLN 158.A NE2 ASP 6.A OD1 no hydrogen 3.009 N/A GLN 158.A NE2 VAL 156.A O no hydrogen 3.410 N/A GLN 158.A NE2 LEU 157.A O no hydrogen 3.557 N/A VAL 159.A N TRP 5.A O no hydrogen 3.038 N/A VAL 160.A N VAL 138.A O no hydrogen 3.190 N/A LEU 162.A N GLY 136.A O no hydrogen 2.926 N/A ILE 164.A N TYR 134.A O no hydrogen 3.002 N/A VAL 165.A N CYS 184.A O no hydrogen 3.133 N/A GLU 166.A N GLU 166.A OE1 no hydrogen 2.514 N/A ARG 167.A NH1 THR 179.A O no hydrogen 3.504 N/A ARG 167.A NH2 THR 179.A O no hydrogen 2.734 N/A CYS 170.A N GLU 166.A O no hydrogen 3.005 N/A CYS 170.A N ARG 167.A O no hydrogen 2.374 N/A CYS 170.A SG VAL 165.A O no hydrogen 3.615 N/A CYS 170.A SG GLU 166.A O no hydrogen 3.309 N/A LYS 171.A N ARG 167.A O no hydrogen 2.885 N/A ALA 172.A N PRO 168.A O no hydrogen 3.128 N/A SER 173.A N CYS 170.A O no hydrogen 2.910 N/A SER 173.A OG CYS 170.A O no hydrogen 2.470 N/A ILE 176.A N THR 174.A OG1 no hydrogen 2.898 N/A THR 179.A OG1 ASP 97.A OD2 no hydrogen 2.807 N/A ASN 181.A N THR 179.A OG1 no hydrogen 3.299 N/A ASN 181.A ND2 ASP 97.A OD2 no hydrogen 2.823 N/A MET 182.A N THR 179.A O no hydrogen 3.210 N/A PHE 183.A N TYR 237.A O no hydrogen 2.991 N/A ALA 185.A N GLY 235.A O no hydrogen 3.066 N/A GLY 186.A N PRO 163.A O no hydrogen 2.718 N/A ARG 194.A NH1 THR 192C.A O no hydrogen 3.284 N/A ASP 196.A N VAL 2.A O no hydrogen 2.961 N/A ALA 197.A N ASP 196.A OD1 no hydrogen 2.751 N/A CYS 198.A N ASP 201.A OD2 no hydrogen 2.878 N/A CYS 198.A SG ASN 143.A O no hydrogen 3.291 N/A ASP 201.A N CYS 198.A O no hydrogen 3.204 N/A SER 202.A N GLU 199.A O no hydrogen 2.931 N/A SER 202.A OG HIS 43.A NE2 no hydrogen 3.090 N/A SER 202.A OG GLU 199.A O no hydrogen 2.940 N/A GLY 203.A N VAL 222.A O no hydrogen 2.668 N/A GLY 204.A N ASP 201.A O no hydrogen 3.066 N/A PHE 206.A N GLY 220.A O no hydrogen 2.909 N/A VAL 207.A N ARG 137.A O no hydrogen 2.880 N/A MET 208.A N TYR 217.A O no hydrogen 2.882 N/A SER 210.A N ARG 215.A O no hydrogen 3.036 N/A ASN 214.A N SER 210.A O no hydrogen 3.231 N/A TYR 217.A N MET 208.A O no hydrogen 2.913 N/A TYR 217.A OH ASN 213B.A OD1 no hydrogen 2.895 N/A GLN 218.A N CYS 119.A O no hydrogen 2.879 N/A GLN 218.A NE2 SER 31.A OG no hydrogen 2.562 N/A MET 219.A N PHE 206.A O no hydrogen 2.725 N/A GLY 220.A N PHE 206.A O no hydrogen 3.255 N/A ILE 221.A N THR 238.A O no hydrogen 3.221 N/A VAL 222.A N GLY 204.A O no hydrogen 2.792 N/A SER 223.A N PHE 236.A O no hydrogen 2.965 N/A SER 223.A OG ASP 99.A OD2 no hydrogen 2.732 N/A ALA 224.A N PHE 236.A O no hydrogen 2.886 N/A ALA 226.A N ASP 196.A OD1 no hydrogen 2.704 N/A GLY 227.A N ALA 197.A O no hydrogen 2.969 N/A CYS 228.A SG ASN 143.A O no hydrogen 3.186 N/A LYS 231.A NZ ALA 226.A O no hydrogen 2.719 N/A GLY 235.A N ALA 185.A O no hydrogen 3.107 N/A PHE 236.A N ALA 224.A O no hydrogen 2.978 N/A TYR 237.A N PHE 183.A O no hydrogen 2.801 N/A THR 238.A N ILE 221.A O no hydrogen 2.938 N/A THR 238.A OG1 ASP 99.A O no hydrogen 2.780 N/A HIS 239.A N ASN 181.A O no hydrogen 2.588 N/A VAL 240.A N MET 219.A O no hydrogen 2.983 N/A ARG 242.A NE ASN 181.A OD1 no hydrogen 3.297 N/A ARG 242.A NH2 ASN 181.A OD1 no hydrogen 3.241 N/A LEU 243.A N VAL 240.A O no hydrogen 2.722 N/A LYS 244.A N PHE 241.A O no hydrogen 2.729 N/A LYS 244.A NZ PRO 121.A O no hydrogen 2.633 N/A ILE 247.A N LEU 243.A O no hydrogen 3.142 N/A GLN 248.A N LYS 244.A O no hydrogen 3.295 N/A GLN 248.A N ARG 245.A O no hydrogen 3.141 N/A LYS 249.A N ARG 245.A O no hydrogen 2.920 N/A VAL 250.A N TRP 246.A O no hydrogen 2.878 N/A ILE 251.A N ILE 247.A O no hydrogen 3.045 N/A GLN 253.A N LYS 249.A O no hydrogen 3.362 N/A PHE 254.A N VAL 250.A O no hydrogen 2.754 N/A PHE 254.A N ILE 251.A O no hydrogen 2.815 N/A GLY 255.A N ILE 251.A O no hydrogen 3.164 N/A TYR 47A.A N LYS 52F.A O no hydrogen 2.778 N/A ARG 73A.A N TYR 71.A O no hydrogen 2.967 N/A GLU 94A.A N ASN 91.A OD1 no hydrogen 2.740 N/A THR 127A.A N LYS 123.A O no hydrogen 3.118 N/A THR 127A.A OG1 LYS 123.A O no hydrogen 2.841 N/A THR 127A.A OG1 GLN 124.A O no hydrogen 3.498 N/A PHE 212A.A N SER 210.A OG no hydrogen 2.856 N/A ARG 230A.A N GLY 227.A O no hydrogen 3.169 N/A ARG 230A.A NE GLY 225.A O no hydrogen 3.254 N/A SER 128B.A OG GLN 124.A O no hydrogen 2.742 N/A SER 128B.A OG THR 125.A O no hydrogen 3.349 N/A LEU 129C.A N THR 125.A O no hydrogen 3.074 N/A LEU 129C.A N VAL 126.A O no hydrogen 2.944 N/A TRP 50D.A N TYR 47A.A O no hydrogen 2.963 N/A LYS 193D.A N ASP 191B.A OD1 no hydrogen 3.151 N/A ASP 51E.A N PRO 48B.A O no hydrogen 2.928 N/A LYS 52F.A N TYR 47A.A O no hydrogen 3.208 N/A LYS 52F.A NZ HIS 43.A O no hydrogen 3.355 N/A PHE 54H.A N ILE 45.A O no hydrogen 3.064 N/A THR 55I.A N ASP 58.A OD2 no hydrogen 2.954 N/A THR 55I.A OG1 GLU 56.A OE1 no hydrogen 2.672 N/A