Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hkj_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N ASN 143.A O no hydrogen 2.797 N/A ILE 1.A N ASP 199.A OD2 no hydrogen 2.811 N/A VAL 2.A N ASP 194.A O no hydrogen 2.577 N/A SER 5.A N VAL 157.A O no hydrogen 2.998 N/A ALA 7.A N LEU 155.A O no hydrogen 2.961 N/A MET 11.A N GLU 8.A O no hydrogen 3.122 N/A SER 12.A OG THR 139.A OG1 no hydrogen 3.374 N/A GLN 15.A N SER 12.A O no hydrogen 2.986 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 3.644 N/A GLN 15.A NE2 THR 139.A O no hydrogen 3.625 N/A VAL 16.A N ALA 30.A O no hydrogen 2.908 N/A MET 17.A N ARG 62.A O no hydrogen 2.928 N/A LEU 18.A N CYS 28.A O no hydrogen 2.913 N/A PHE 19.A N LEU 60.A O no hydrogen 2.866 N/A ARG 20.A N GLU 25.A O no hydrogen 2.773 N/A ARG 20.A NH1 GLU 25.A OE1 no hydrogen 3.207 N/A LYS 21.A N ASP 58.A O no hydrogen 2.965 N/A LYS 21.A NZ ASN 57.A O no hydrogen 2.720 N/A GLU 25.A N ARG 20.A O no hydrogen 3.262 N/A LEU 27.A N LEU 18.A O no hydrogen 2.661 N/A CYS 28.A N LEU 18.A O no hydrogen 3.341 N/A CYS 28.A SG LEU 27.A O no hydrogen 3.092 N/A CYS 28.A SG SER 200.A OG no hydrogen 3.668 N/A GLY 29.A N SER 200.A O no hydrogen 2.998 N/A SER 31.A N LEU 39.A O no hydrogen 2.893 N/A LEU 32.A N TRP 14.A O no hydrogen 2.861 N/A ILE 33.A N TRP 37.A O no hydrogen 3.023 N/A ARG 36.A NH1 LYS 106.A O no hydrogen 2.745 N/A ARG 36.A NH2 GLU 82.A OE1 no hydrogen 2.959 N/A ARG 36.A NH2 LYS 106.A O no hydrogen 3.385 N/A ARG 36.A NH2 GLU 252.A OE1 no hydrogen 2.961 N/A TRP 37.A N SER 34.A O no hydrogen 3.143 N/A VAL 38.A N MET 103.A O no hydrogen 2.912 N/A LEU 39.A N SER 31.A O no hydrogen 2.832 N/A THR 40.A N ALA 101.A O no hydrogen 3.043 N/A THR 40.A OG1 GLY 29.A O no hydrogen 2.901 N/A ALA 41.A N THR 40.A OG1 no hydrogen 2.676 N/A HIS 43.A N ASP 99.A OD1 no hydrogen 2.801 N/A HIS 43.A ND1 ASP 99.A OD2 no hydrogen 2.749 N/A HIS 43.A NE2 GLU 197.A OE1 no hydrogen 3.032 N/A CYS 44.A N ALA 41.A O no hydrogen 3.408 N/A CYS 44.A SG SER 200.A O no hydrogen 3.468 N/A LEU 45.A N ALA 42.A O no hydrogen 2.969 N/A LEU 46.A N ALA 42.A O no hydrogen 2.825 N/A ASP 58.A N THR 55I.A O no hydrogen 2.796 N/A LEU 59.A N GLU 56.A O no hydrogen 3.403 N/A LEU 60.A N PHE 19.A O no hydrogen 3.044 N/A VAL 61.A N SER 79.A O no hydrogen 3.071 N/A ARG 62.A N MET 17.A O no hydrogen 2.958 N/A ARG 62.A NE GLU 76.A OE1 no hydrogen 2.803 N/A ARG 62.A NH2 GLU 76.A OE1 no hydrogen 3.280 N/A ARG 62.A NH2 GLU 76.A OE2 no hydrogen 3.064 N/A ILE 63.A N LYS 77.A O no hydrogen 2.765 N/A LYS 65.A NZ SER 67.A O no hydrogen 3.225 N/A LYS 65.A NZ ARG 70.A O no hydrogen 2.670 N/A LYS 65.A NZ GLU 72.A OE1 no hydrogen 2.785 N/A LYS 65.A NZ GLU 76.A OE2 no hydrogen 2.919 N/A HIS 66.A N GLU 72.A OE1 no hydrogen 3.088 N/A HIS 66.A N GLU 72.A OE2 no hydrogen 3.226 N/A SER 67.A N GLU 72.A OE2 no hydrogen 2.805 N/A ARG 68.A N SER 153.A O no hydrogen 2.856 N/A ARG 68.A NH1 PRO 152.A O no hydrogen 3.474 N/A ARG 70.A N SER 67.A OG no hydrogen 3.058 N/A GLU 72.A N GLU 76.A OE2 no hydrogen 2.756 N/A ILE 75.A N GLU 72.A O no hydrogen 3.259 N/A GLU 76.A N GLU 72.A O no hydrogen 2.898 N/A LYS 77.A N ILE 63.A O no hydrogen 2.711 N/A SER 79.A N VAL 61.A O no hydrogen 2.942 N/A GLU 82.A N LYS 104.A O no hydrogen 2.654 N/A LYS 83.A N LYS 104.A O no hydrogen 3.291 N/A TYR 85.A N LEU 102.A O no hydrogen 2.657 N/A HIS 87.A N ILE 100.A O no hydrogen 3.138 N/A ARG 89.A N HIS 87.A ND1 no hydrogen 2.853 N/A TYR 90.A N HIS 87.A O no hydrogen 3.155 N/A TYR 90.A OH LEU 46.A O no hydrogen 2.709 N/A ASN 91.A N ASP 97.A O no hydrogen 2.951 N/A ASN 95.A ND2 ARG 175.A O no hydrogen 2.332 N/A ILE 100.A N ARG 98.A O no hydrogen 2.843 N/A ALA 101.A N THR 40.A O no hydrogen 2.869 N/A LEU 102.A N TYR 85.A O no hydrogen 2.913 N/A MET 103.A N VAL 38.A O no hydrogen 2.832 N/A LYS 104.A N LYS 83.A O no hydrogen 2.830 N/A LYS 104.A NZ GLU 82.A OE2 no hydrogen 2.765 N/A LYS 104.A NZ GLU 252.A OE1 no hydrogen 3.484 N/A LYS 104.A NZ GLU 252.A OE2 no hydrogen 3.456 N/A LEU 105.A N ARG 36.A O no hydrogen 2.845 N/A LYS 106.A N MET 80.A O no hydrogen 3.016 N/A VAL 109.A N ASP 35.A O no hydrogen 2.809 N/A SER 112.A N ILE 115.A O no hydrogen 2.830 N/A TYR 114.A N SER 112.A OG no hydrogen 3.130 N/A HIS 116.A N PRO 13.A O no hydrogen 3.182 N/A VAL 118.A N LEU 32.A O no hydrogen 2.897 N/A CYS 119.A N TRP 214.A O no hydrogen 3.177 N/A THR 125.A N ASP 122.A OD2 no hydrogen 3.090 N/A THR 125.A OG1 ASP 122.A OD2 no hydrogen 2.572 N/A ALA 126.A N ASP 122.A O no hydrogen 3.153 N/A LEU 130.A N ALA 126.A O no hydrogen 3.006 N/A GLN 131.A N LEU 129C.A O no hydrogen 2.744 N/A GLY 133.A N ILE 162.A O no hydrogen 2.850 N/A TYR 134.A N GLN 131.A O no hydrogen 3.058 N/A LYS 135.A NZ TYR 185A.A OH no hydrogen 3.204 N/A GLY 136.A N LEU 160.A O no hydrogen 2.929 N/A ARG 137.A N VAL 205.A O no hydrogen 2.600 N/A ARG 137.A NE ASN 159.A OD1 no hydrogen 3.325 N/A VAL 138.A N VAL 158.A O no hydrogen 2.934 N/A THR 139.A OG1 SER 12.A OG no hydrogen 3.374 N/A THR 139.A OG1 GLN 15.A OE1 no hydrogen 2.436 N/A GLY 140.A N GLN 156.A O no hydrogen 2.903 N/A TRP 141.A NE1 HIS 66.A O no hydrogen 2.843 N/A GLY 142.A N ASP 199.A OD1 no hydrogen 2.764 N/A ASN 143.A ND2 GLN 151.A OE1 no hydrogen 2.788 N/A LEU 144.A N GLY 150.A O no hydrogen 2.607 N/A THR 147.A N CYS 226.A O no hydrogen 3.428 N/A LEU 155.A N HIS 66.A O no hydrogen 2.843 N/A GLN 156.A N GLY 140.A O no hydrogen 2.981 N/A VAL 157.A N SER 5.A O no hydrogen 2.898 N/A VAL 158.A N VAL 138.A O no hydrogen 3.047 N/A LEU 160.A N GLY 136.A O no hydrogen 3.008 N/A ILE 162.A N TYR 134.A O no hydrogen 2.932 N/A VAL 163.A N CYS 182.A O no hydrogen 2.817 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.929 N/A ARG 165.A NH1 THR 177.A O no hydrogen 3.228 N/A ARG 165.A NH1 MET 180.A O no hydrogen 3.402 N/A ARG 165.A NH2 MET 180.A O no hydrogen 2.927 N/A CYS 168.A N GLU 164.A O no hydrogen 2.943 N/A LYS 169.A N ARG 165.A O no hydrogen 2.757 N/A ASP 170.A N PRO 166.A O no hydrogen 2.768 N/A SER 171.A N CYS 168.A O no hydrogen 2.903 N/A SER 171.A OG CYS 168.A O no hydrogen 2.489 N/A THR 172.A N LYS 169.A O no hydrogen 3.416 N/A ILE 174.A N THR 172.A OG1 no hydrogen 3.054 N/A THR 177.A OG1 ASP 97.A OD1 no hydrogen 2.445 N/A ASN 179.A N THR 177.A OG1 no hydrogen 3.234 N/A ASN 179.A ND2 ASP 97.A OD1 no hydrogen 3.162 N/A MET 180.A N THR 177.A O no hydrogen 3.424 N/A PHE 181.A N TYR 233.A O no hydrogen 3.059 N/A ALA 183.A N GLY 231.A O no hydrogen 3.270 N/A GLY 184.A N PRO 161.A O no hydrogen 2.914 N/A LYS 186.A N GLU 189B.A OE1 no hydrogen 3.174 N/A ASP 194.A N VAL 2.A O no hydrogen 2.875 N/A ALA 195.A N ASP 194.A OD2 no hydrogen 2.577 N/A CYS 196.A N ASP 199.A OD2 no hydrogen 2.867 N/A CYS 196.A SG ASN 143.A O no hydrogen 3.471 N/A ASP 199.A N CYS 196.A O no hydrogen 3.045 N/A SER 200.A N GLU 197.A O no hydrogen 3.145 N/A SER 200.A OG HIS 43.A NE2 no hydrogen 3.291 N/A SER 200.A OG GLU 197.A O no hydrogen 2.448 N/A SER 200.A OG GLU 197.A OE1 no hydrogen 3.221 N/A GLY 201.A N VAL 220.A O no hydrogen 2.729 N/A GLY 202.A N ASP 199.A O no hydrogen 2.981 N/A PHE 204.A N GLY 218.A O no hydrogen 2.965 N/A VAL 205.A N ARG 137.A O no hydrogen 2.709 N/A MET 206.A N TYR 215.A O no hydrogen 2.768 N/A SER 208.A N ARG 213.A O no hydrogen 2.765 N/A ASN 212.A N SER 208.A O no hydrogen 2.764 N/A TYR 215.A N MET 206.A O no hydrogen 2.739 N/A TYR 215.A OH ASN 211B.A OD1 no hydrogen 2.894 N/A GLN 216.A N CYS 119.A O no hydrogen 2.835 N/A GLN 216.A NE2 SER 31.A OG no hydrogen 2.603 N/A MET 217.A N PHE 204.A O no hydrogen 2.925 N/A GLY 218.A N PHE 204.A O no hydrogen 3.413 N/A ILE 219.A N THR 234.A O no hydrogen 3.135 N/A VAL 220.A N GLY 202.A O no hydrogen 2.942 N/A SER 221.A N PHE 232.A O no hydrogen 3.068 N/A SER 221.A OG ASP 99.A OD2 no hydrogen 2.698 N/A ALA 222.A N PHE 232.A O no hydrogen 3.105 N/A CYS 226.A SG LYS 145.A O no hydrogen 3.142 N/A GLY 231.A N ALA 183.A O no hydrogen 3.001 N/A PHE 232.A N ALA 222.A O no hydrogen 2.885 N/A TYR 233.A N PHE 181.A O no hydrogen 2.873 N/A THR 234.A N ILE 219.A O no hydrogen 2.793 N/A THR 234.A OG1 ASP 99.A O no hydrogen 2.850 N/A HIS 235.A N ASN 179.A O no hydrogen 2.789 N/A VAL 236.A N MET 217.A O no hydrogen 2.986 N/A ARG 238.A N HIS 235.A ND1 no hydrogen 3.280 N/A ARG 238.A NE ASN 179.A OD1 no hydrogen 3.178 N/A ARG 238.A NH2 ASN 179.A OD1 no hydrogen 3.018 N/A LEU 239.A N HIS 235.A O no hydrogen 3.295 N/A LEU 239.A N VAL 236.A O no hydrogen 3.120 N/A LYS 240.A N PHE 237.A O no hydrogen 3.107 N/A LYS 240.A NZ PRO 121.A O no hydrogen 2.741 N/A ILE 243.A N LEU 239.A O no hydrogen 3.315 N/A GLN 244.A N LYS 240.A O no hydrogen 3.081 N/A LYS 245.A N LYS 241.A O no hydrogen 3.025 N/A VAL 246.A N TRP 242.A O no hydrogen 3.000 N/A ILE 247.A N ILE 243.A O no hydrogen 3.059 N/A ASP 248.A N GLN 244.A O no hydrogen 2.850 N/A GLN 249.A N LYS 245.A O no hydrogen 2.922 N/A PHE 250.A N VAL 246.A O no hydrogen 2.865 N/A TYR 47A.A N LYS 52F.A O no hydrogen 2.870 N/A ARG 73A.A N TYR 71.A O no hydrogen 2.988 N/A GLU 94A.A N ASN 91.A OD1 no hydrogen 2.869 N/A ALA 127A.A N ARG 123.A O no hydrogen 2.860 N/A PHE 210A.A N SER 208.A OG no hydrogen 3.152 N/A SER 128B.A N GLU 124.A O no hydrogen 2.610 N/A SER 128B.A OG GLU 124.A O no hydrogen 3.358 N/A LEU 129C.A N THR 125.A O no hydrogen 2.914 N/A TRP 50D.A N TYR 47A.A O no hydrogen 3.153 N/A ASP 51E.A N PRO 48B.A O no hydrogen 2.389 N/A LYS 52F.A N TYR 47A.A O no hydrogen 2.934 N/A LYS 52F.A NZ HIS 43.A O no hydrogen 3.012 N/A PHE 54H.A N LEU 45.A O no hydrogen 3.204 N/A THR 55I.A N ASP 58.A OD2 no hydrogen 2.959 N/A