Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8h1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 42.A OD2 no hydrogen 2.819 N/A LYS 2.A N ILE 40.A O no hydrogen 2.813 N/A LYS 2.A NZ ASP 42.A OD1 no hydrogen 2.615 N/A LYS 2.A NZ SER 142.A O no hydrogen 2.886 N/A LYS 2.A NZ GLU 146.A OE1 no hydrogen 3.405 N/A LYS 2.A NZ GLU 146.A OE2 no hydrogen 2.673 N/A SER 3.A N GLN 6.A OE1 no hydrogen 2.969 N/A SER 3.A OG GLN 6.A OE1 no hydrogen 3.108 N/A SER 3.A OG ASN 141.A OD1 no hydrogen 2.620 N/A GLN 6.A N SER 3.A OG no hydrogen 3.109 N/A GLN 6.A NE2 SER 142.A O no hydrogen 2.795 N/A ALA 7.A N SER 3.A O no hydrogen 2.987 N/A LYS 8.A N GLN 4.A O no hydrogen 2.939 N/A GLU 9.A N GLN 5.A O no hydrogen 2.838 N/A TRP 10.A N GLN 6.A O no hydrogen 2.792 N/A ILE 11.A N ALA 7.A O no hydrogen 2.849 N/A TYR 12.A N LYS 8.A O no hydrogen 3.078 N/A LYS 13.A N GLU 9.A O no hydrogen 2.734 N/A HIS 14.A N TRP 10.A O no hydrogen 3.093 N/A HIS 14.A N ILE 11.A O no hydrogen 3.244 N/A HIS 14.A ND1 TRP 10.A O no hydrogen 2.853 N/A GLU 15.A N TYR 12.A O no hydrogen 3.057 N/A GLY 16.A N ALA 119.A O no hydrogen 2.792 N/A THR 17.A N HIS 14.A O no hydrogen 3.091 N/A THR 17.A OG1 HIS 14.A O no hydrogen 2.771 N/A VAL 19.A N GLN 106.A OE1 no hydrogen 2.810 N/A ASP 22.A N ASP 20.A OD1 no hydrogen 3.010 N/A PHE 27.A N GLY 112.A O no hydrogen 2.956 N/A GLN 28.A N ASP 31.A OD2 no hydrogen 2.937 N/A GLN 28.A NE2 TYR 25.A O no hydrogen 2.461 N/A CYS 29.A SG HIS 89.A ND1 no hydrogen 3.755 N/A VAL 34.A N MET 30.A O no hydrogen 2.884 N/A ALA 35.A N ASP 31.A O no hydrogen 2.979 N/A TYR 36.A N LEU 32.A O no hydrogen 2.963 N/A TYR 36.A OH GLY 77.A O no hydrogen 2.605 N/A VAL 37.A N ALA 33.A O no hydrogen 2.867 N/A TYR 38.A N VAL 34.A O no hydrogen 2.946 N/A TYR 39.A N ALA 35.A O no hydrogen 2.973 N/A ILE 40.A N TYR 36.A O no hydrogen 2.975 N/A THR 41.A N VAL 37.A O no hydrogen 3.071 N/A THR 41.A OG1 VAL 37.A O no hydrogen 2.732 N/A THR 41.A OG1 TYR 38.A O no hydrogen 3.219 N/A ASP 42.A N TYR 39.A O no hydrogen 3.086 N/A GLY 43.A N TYR 38.A O no hydrogen 2.930 N/A LYS 44.A N THR 41.A O no hydrogen 2.861 N/A VAL 45.A N THR 41.A OG1 no hydrogen 3.117 N/A ARG 46.A NE PRO 245.A O no hydrogen 2.863 N/A ARG 46.A NH1 MET 47.A O no hydrogen 2.888 N/A ARG 46.A NH2 PRO 245.A O no hydrogen 3.065 N/A TRP 48.A N ASN 57.A OD1 no hydrogen 2.812 N/A ASN 50.A N ASP 53.A OD2 no hydrogen 2.725 N/A LYS 52.A N TYR 87.A O no hydrogen 3.062 N/A LYS 52.A NZ SER 85.A O no hydrogen 2.953 N/A LYS 52.A NZ GLN 86.A O no hydrogen 3.121 N/A ASP 53.A N ASN 50.A O no hydrogen 2.962 N/A ALA 54.A N ALA 51.A O no hydrogen 3.158 N/A ASN 56.A N ASP 53.A O no hydrogen 2.749 N/A ASN 57.A N ALA 54.A O no hydrogen 3.350 N/A ASN 57.A ND2 TRP 48.A O no hydrogen 2.979 N/A ASN 57.A ND2 ALA 54.A O no hydrogen 3.371 N/A LYS 60.A N ASP 58.A OD1 no hydrogen 2.940 N/A LYS 60.A NZ LYS 44.A O no hydrogen 2.745 N/A LEU 62.A N PHE 59.A O no hydrogen 2.783 N/A THR 64.A N ARG 134.A O no hydrogen 2.880 N/A TYR 66.A N PHE 132.A O no hydrogen 2.732 N/A ASN 68.A N THR 130.A O no hydrogen 2.726 N/A ASN 68.A ND2 VAL 129.A O no hydrogen 3.231 N/A PHE 72.A N THR 69.A O no hydrogen 2.759 N/A GLN 75.A N ASP 78.A OD2 no hydrogen 2.658 N/A GLY 77.A N VAL 93.A O no hydrogen 3.076 N/A ASP 78.A N GLN 75.A O no hydrogen 3.016 N/A VAL 79.A N ILE 133.A O no hydrogen 2.728 N/A ALA 80.A N GLN 91.A O no hydrogen 2.808 N/A VAL 81.A N HIS 131.A O no hydrogen 2.890 N/A TYR 82.A N HIS 89.A O no hydrogen 2.842 N/A TYR 82.A OH TYR 101.A OH no hydrogen 3.280 N/A TYR 82.A OH ASP 127.A OD1 no hydrogen 2.601 N/A THR 83.A N.A THR 130.A OG1 no hydrogen 3.055 N/A THR 83.A N.B THR 130.A OG1 no hydrogen 3.063 N/A THR 83.A OG1.B THR 130.A OG1 no hydrogen 2.561 N/A HIS 89.A N TYR 82.A O no hydrogen 3.293 N/A HIS 89.A NE2 GLU 105.A OE1 no hydrogen 2.578 N/A GLN 91.A N ALA 80.A O no hydrogen 2.963 N/A GLN 91.A NE2 GLU 105.A OE1 no hydrogen 3.039 N/A CYS 92.A N LEU 104.A O no hydrogen 2.849 N/A VAL 93.A N ASP 78.A O no hydrogen 2.790 N/A ILE 94.A N THR 102.A O no hydrogen 2.740 N/A SER 95.A N THR 102.A O no hydrogen 3.391 N/A SER 95.A OG THR 102.A OG1 no hydrogen 2.823 N/A ASN 97.A N TYR 100.A O no hydrogen 2.743 N/A ASP 99.A N ASN 97.A OD1 no hydrogen 2.546 N/A TYR 100.A N ASN 97.A OD1 no hydrogen 2.929 N/A TYR 101.A N HIS 124.A O no hydrogen 3.102 N/A TYR 101.A OH GLN 91.A OE1 no hydrogen 2.499 N/A THR 102.A N SER 95.A O no hydrogen 2.810 N/A THR 102.A OG1 SER 95.A OG no hydrogen 2.823 N/A CYS 103.A N ARG 122.A O no hydrogen 3.004 N/A CYS 103.A SG GLU 105.A OE2 no hydrogen 3.200 N/A CYS 103.A SG ARG 122.A O no hydrogen 4.026 N/A LEU 104.A N CYS 92.A O no hydrogen 2.823 N/A GLU 105.A N THR 120.A O no hydrogen 2.938 N/A GLN 106.A NE2 VAL 19.A O no hydrogen 3.141 N/A GLN 106.A NE2 GLN 28.A O no hydrogen 2.831 N/A LEU 109.A N GLU 117.A OE1 no hydrogen 3.045 N/A LEU 109.A N GLU 117.A OE2 no hydrogen 2.912 N/A GLY 111.A N GLU 117.A OE1 no hydrogen 2.822 N/A GLY 112.A N ASN 107.A OD1 no hydrogen 2.867 N/A GLY 115.A N GLY 111.A O no hydrogen 2.901 N/A GLY 115.A N GLY 112.A O no hydrogen 3.228 N/A GLU 117.A N GLY 111.A O no hydrogen 3.423 N/A ALA 119.A N THR 17.A O no hydrogen 3.092 N/A THR 120.A N GLU 105.A O no hydrogen 2.851 N/A THR 120.A OG1 LYS 118.A O no hydrogen 2.854 N/A ARG 122.A N CYS 103.A O no hydrogen 2.980 N/A ARG 122.A NH2 GLU 117.A OE2 no hydrogen 3.496 N/A HIS 124.A N TYR 101.A O no hydrogen 2.891 N/A HIS 124.A ND1 ASP 127.A OD2 no hydrogen 2.889 N/A HIS 124.A NE2 GLU 105.A OE2 no hydrogen 2.402 N/A TYR 126.A OH ASN 97.A O no hydrogen 2.401 N/A THR 130.A N VAL 81.A O no hydrogen 2.751 N/A THR 130.A OG1 VAL 81.A O no hydrogen 3.358 N/A THR 130.A OG1 THR 83.A OG1.B no hydrogen 2.561 N/A THR 130.A OG1 HIS 131.A ND1 no hydrogen 3.007 N/A HIS 131.A N VAL 81.A O no hydrogen 3.171 N/A HIS 131.A ND1 THR 130.A OG1 no hydrogen 3.007 N/A PHE 132.A N TYR 66.A O no hydrogen 2.772 N/A ILE 133.A N VAL 79.A O no hydrogen 2.682 N/A ARG 134.A N THR 64.A O no hydrogen 2.726 N/A ARG 134.A NE ASP 78.A OD1 no hydrogen 2.775 N/A ARG 134.A NE ASP 78.A OD2 no hydrogen 3.414 N/A ARG 134.A NH2 LYS 73.A O no hydrogen 3.316 N/A ARG 134.A NH2 ASP 78.A OD2 no hydrogen 2.713 N/A LYS 136.A N LEU 62.A O no hydrogen 2.768 N/A LYS 136.A NZ LYS 136.A O no hydrogen 3.369 N/A SER 138.A N LYS 2.A O no hydrogen 2.995 N/A SER 138.A OG SER 140.A O no hydrogen 2.973 N/A SER 140.A N SER 138.A OG no hydrogen 3.251 N/A SER 142.A N GLN 6.A OE1 no hydrogen 2.936 N/A SER 142.A OG ASP 42.A OD1 no hydrogen 3.332 N/A SER 142.A OG ASP 42.A OD2 no hydrogen 2.436 N/A VAL 144.A N SER 142.A OG no hydrogen 3.224 N/A LEU 145.A N ASP 42.A OD1 no hydrogen 2.938 N/A GLU 146.A N GLU 146.A OE2 no hydrogen 2.561 N/A THR 147.A N ASN 143.A O no hydrogen 3.186 N/A THR 147.A N VAL 144.A O no hydrogen 3.238 N/A THR 147.A OG1 ASN 143.A O no hydrogen 3.049 N/A THR 147.A OG1 VAL 144.A O no hydrogen 3.178 N/A SER 148.A N LEU 145.A O no hydrogen 3.175 N/A SER 148.A OG LEU 145.A O no hydrogen 2.968 N/A ASN 151.A N SER 148.A O no hydrogen 2.699 N/A ASN 151.A N SER 148.A OG no hydrogen 3.318 N/A ASN 151.A ND2 LEU 145.A O no hydrogen 3.218 N/A THR 152.A N LYS 149.A O no hydrogen 3.413 N/A THR 152.A OG1 THR 147.A O no hydrogen 3.399 N/A THR 152.A OG1 SER 148.A O no hydrogen 3.120 N/A TRP 156.A NE1 PHE 153.A O no hydrogen 2.844 N/A LYS 157.A N TYR 165.A O no hydrogen 2.941 N/A ASN 159.A N THR 163.A O no hydrogen 3.178 N/A GLN 160.A N GLN 160.A OE1 no hydrogen 2.722 N/A GLY 162.A N ASN 159.A O no hydrogen 2.993 N/A THR 163.A N ASN 159.A OD1 no hydrogen 2.832 N/A TYR 164.A N LEU 209.A O no hydrogen 3.284 N/A TYR 165.A N LYS 157.A O no hydrogen 2.809 N/A ARG 166.A N VAL 207.A O no hydrogen 2.818 N/A ARG 166.A NH1 GLU 168.A OE2 no hydrogen 3.268 N/A ARG 166.A NH2 GLU 168.A OE2 no hydrogen 3.273 N/A GLU 168.A N ASP 205.A O no hydrogen 3.035 N/A ALA 170.A N TYR 204.A O no hydrogen 3.347 N/A THR 171.A N SER 250.A O no hydrogen 2.559 N/A PHE 172.A N THR 202.A O no hydrogen 3.024 N/A THR 173.A N VAL 248.A O no hydrogen 2.823 N/A CYS 174.A N GLY 200.A O no hydrogen 2.837 N/A CYS 174.A SG GLY 175.A O no hydrogen 3.847 N/A CYS 174.A SG LEU 177.A O no hydrogen 3.255 N/A CYS 174.A SG PHE 196.A O no hydrogen 3.995 N/A GLY 175.A N TRP 246.A O no hydrogen 3.140 N/A ILE 179.A N PHE 196.A O no hydrogen 3.148 N/A ALA 181.A N TYR 194.A O no hydrogen 2.827 N/A ARG 182.A N TYR 226.A O no hydrogen 2.662 N/A ARG 182.A NH1 GLU 190.A O no hydrogen 2.850 N/A VAL 183.A N ASN 192.A O no hydrogen 3.111 N/A GLY 184.A N ARG 224.A O no hydrogen 2.711 N/A SER 185.A N VAL 183.A O no hydrogen 2.876 N/A LYS 187.A N SER 185.A O no hydrogen 2.803 N/A LYS 187.A NZ SER 210.A OG no hydrogen 3.304 N/A LYS 187.A NZ ASP 211.A OD1 no hydrogen 3.285 N/A LEU 188.A N ASP 211.A OD2 no hydrogen 3.003 N/A GLU 190.A N LYS 187.A O no hydrogen 2.870 N/A ASN 192.A N GLU 190.A OE1 no hydrogen 2.478 N/A TYR 194.A N ALA 181.A O no hydrogen 3.240 N/A TYR 194.A OH TYR 218.A OH no hydrogen 2.570 N/A PHE 196.A N ILE 179.A O no hydrogen 2.738 N/A ASN 199.A N CYS 174.A O no hydrogen 3.122 N/A GLY 200.A N GLN 197.A O no hydrogen 3.115 N/A THR 202.A N PHE 172.A O no hydrogen 3.050 N/A THR 202.A OG1 PRO 203.A O no hydrogen 2.815 N/A TYR 204.A N ALA 170.A O no hydrogen 2.927 N/A TYR 204.A OH GLU 168.A OE1 no hydrogen 2.538 N/A ASP 205.A N GLY 217.A O no hydrogen 3.032 N/A VAL 207.A N ARG 166.A O no hydrogen 2.836 N/A CYS 208.A N TRP 215.A O no hydrogen 2.924 N/A CYS 208.A SG GLU 206.A OE2 no hydrogen 3.569 N/A LEU 209.A N TYR 164.A O no hydrogen 2.825 N/A SER 210.A N LEU 213.A O no hydrogen 3.017 N/A SER 210.A OG PRO 186.A O no hydrogen 2.482 N/A LEU 213.A N SER 210.A O no hydrogen 2.980 N/A VAL 214.A N ARG 230.A O no hydrogen 2.820 N/A TRP 215.A N CYS 208.A O no hydrogen 2.872 N/A TRP 215.A NE1 SER 210.A O no hydrogen 2.738 N/A ILE 216.A N LEU 227.A O no hydrogen 2.872 N/A GLY 217.A N GLU 206.A O no hydrogen 2.684 N/A TYR 218.A N TYR 225.A O no hydrogen 3.064 N/A TYR 218.A OH TYR 194.A OH no hydrogen 2.570 N/A TRP 220.A N THR 223.A O no hydrogen 2.909 N/A THR 223.A N TRP 220.A O no hydrogen 2.968 N/A ARG 224.A NE TYR 226.A OH no hydrogen 3.230 N/A ARG 224.A NH1 ASP 205.A OD2 no hydrogen 2.770 N/A ARG 224.A NH1 ASN 219.A OD1 no hydrogen 2.807 N/A ARG 224.A NH2 ASP 205.A OD1 no hydrogen 2.990 N/A ARG 224.A NH2 ASP 205.A OD2 no hydrogen 3.406 N/A ARG 224.A NH2 GLU 206.A OE1 no hydrogen 3.030 N/A TYR 225.A N TYR 218.A O no hydrogen 2.906 N/A TYR 226.A N ARG 182.A O no hydrogen 2.704 N/A TYR 226.A OH GLU 206.A OE1 no hydrogen 2.689 N/A LEU 227.A N ILE 216.A O no hydrogen 2.898 N/A VAL 229.A N VAL 214.A O no hydrogen 2.713 N/A ARG 230.A NE GLY 243.A O no hydrogen 2.785 N/A ARG 230.A NH2 GLY 243.A O no hydrogen 3.006 N/A GLN 231.A NE2 ASP 20.A O no hydrogen 3.161 N/A TRP 232.A N GLY 212.A O no hydrogen 2.883 N/A TRP 232.A NE1 LYS 235.A O no hydrogen 2.868 N/A ASN 233.A N SER 241.A O no hydrogen 2.936 N/A ASN 233.A ND2 SER 239.A O no hydrogen 2.900 N/A LYS 235.A N ASN 233.A OD1 no hydrogen 2.934 N/A TYR 240.A N GLY 237.A O no hydrogen 3.120 N/A SER 241.A OG ASN 151.A OD1 no hydrogen 3.329 N/A ILE 242.A N ASN 151.A OD1 no hydrogen 2.912 N/A GLY 243.A N GLN 231.A O no hydrogen 2.674 N/A TRP 246.A N VAL 229.A O no hydrogen 2.941 N/A TRP 246.A NE1 PHE 21.A O no hydrogen 3.055 N/A VAL 248.A N THR 173.A O no hydrogen 2.712 N/A SER 250.A N THR 171.A O no hydrogen 2.917 N/A