Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nqc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 ARG 179.A O no hydrogen 3.138 N/A ARG 2.A NH1 THR 180.A OG1 no hydrogen 2.969 N/A ARG 2.A NH2 LEU 177.A O no hydrogen 2.879 N/A ARG 2.A NH2 ARG 179.A O no hydrogen 2.714 N/A HIS 4.A N LEU 101.A O no hydrogen 3.081 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 2.686 N/A SER 5.A N ASP 30.A OD1 no hydrogen 2.811 N/A LEU 6.A N CYS 99.A O no hydrogen 2.959 N/A ARG 7.A N.A TYR 28.A O no hydrogen 2.938 N/A ARG 7.A N.B TYR 28.A O no hydrogen 2.941 N/A ARG 7.A NH1.A ASP 30.A O no hydrogen 2.797 N/A ARG 7.A NH2.A ASP 30.A O no hydrogen 3.260 N/A TYR 8.A N ILE 97.A O no hydrogen 2.958 N/A PHE 9.A N VAL 26.A O no hydrogen 2.812 N/A ARG 10.A N ARG 95.A O no hydrogen 2.899 N/A LEU 11.A N ILE 24.A O no hydrogen 2.688 N/A GLY 12.A N TYR 93.A O no hydrogen 2.741 N/A VAL 13.A N GLU 22.A O no hydrogen 2.860 N/A SER 14.A N HIS 91.A O no hydrogen 2.951 N/A SER 14.A OG GLN 82.A OE1 no hydrogen 2.694 N/A SER 14.A OG GLY 89.A O no hydrogen 3.350 N/A SER 14.A OG HIS 91.A O no hydrogen 3.378 N/A PHE 23.A N SER 39.A OG no hydrogen 3.184 N/A ILE 24.A N LEU 11.A O no hydrogen 2.858 N/A SER 25.A N TYR 37.A O no hydrogen 2.792 N/A SER 25.A OG PHE 9.A O no hydrogen 2.757 N/A VAL 26.A N PHE 9.A O no hydrogen 3.030 N/A GLY 27.A N THR 35.A O no hydrogen 3.031 N/A TYR 28.A N ARG 7.A O.A no hydrogen 2.717 N/A TYR 28.A N ARG 7.A O.B no hydrogen 2.701 N/A VAL 29.A N HIS 32.A O no hydrogen 2.895 N/A ASP 30.A N SER 5.A O no hydrogen 2.978 N/A HIS 32.A N VAL 29.A O no hydrogen 2.919 N/A HIS 32.A NE2 TYR 198.A OH no hydrogen 2.755 N/A ILE 34.A N GLY 27.A O no hydrogen 2.732 N/A THR 36.A N GLU 45.A O no hydrogen 2.880 N/A TYR 37.A N SER 25.A O no hydrogen 2.830 N/A TYR 37.A OH GLN 71.A OE1 no hydrogen 2.518 N/A SER 39.A N PHE 23.A O no hydrogen 3.003 N/A SER 39.A OG PHE 23.A O no hydrogen 3.499 N/A VAL 40.A N ASP 38.A OD1 no hydrogen 2.865 N/A THR 41.A N ASP 38.A OD1 no hydrogen 2.702 N/A THR 41.A OG1 GLN 43.A O no hydrogen 3.325 N/A ARG 42.A N ASP 38.A O no hydrogen 2.796 N/A LYS 44.A N THR 64.A OG1 no hydrogen 2.870 N/A LYS 44.A NZ HIS 59.A NE2 no hydrogen 3.102 N/A GLU 45.A N THR 36.A O no hydrogen 2.891 N/A ARG 47.A N ILE 34.A O no hydrogen 2.800 N/A ARG 47.A NH1 PRO 46.A O no hydrogen 3.300 N/A MET 51.A N ALA 48.A O no hydrogen 3.189 N/A ALA 52.A N ALA 48.A O no hydrogen 3.406 N/A GLU 53.A N PRO 49.A O no hydrogen 3.071 N/A ASN 54.A ND2 TRP 50.A O no hydrogen 2.531 N/A LEU 55.A N MET 51.A O no hydrogen 3.219 N/A HIS 59.A N ALA 56.A O no hydrogen 3.013 N/A TRP 60.A NE1 LEU 55.A O no hydrogen 2.879 N/A GLU 61.A N PRO 57.A O no hydrogen 2.871 N/A ARG 62.A N ASP 58.A O no hydrogen 3.010 N/A TYR 63.A N HIS 59.A O no hydrogen 3.120 N/A THR 64.A N TRP 60.A O no hydrogen 2.971 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.710 N/A GLN 65.A N GLU 61.A O no hydrogen 3.406 N/A LEU 66.A N ARG 62.A O no hydrogen 3.181 N/A LEU 67.A N TYR 63.A O no hydrogen 2.875 N/A ARG 68.A N THR 64.A O no hydrogen 3.078 N/A ARG 68.A NE ARG 42.A O no hydrogen 2.973 N/A ARG 68.A NH2 ARG 42.A O no hydrogen 2.886 N/A GLY 69.A N GLN 65.A O no hydrogen 3.326 N/A TRP 70.A N LEU 66.A O no hydrogen 2.870 N/A GLN 71.A N LEU 67.A O no hydrogen 2.798 N/A GLN 72.A N ARG 68.A O no hydrogen 3.313 N/A MET 73.A N GLY 69.A O no hydrogen 3.008 N/A PHE 74.A N TRP 70.A O no hydrogen 3.077 N/A LYS 75.A N GLN 71.A O no hydrogen 3.128 N/A LYS 75.A NZ GLU 22.A OE2 no hydrogen 2.701 N/A VAL 76.A N GLN 72.A O no hydrogen 3.205 N/A GLU 77.A N MET 73.A O no hydrogen 2.930 N/A LEU 78.A N PHE 74.A O no hydrogen 3.010 N/A LYS 79.A N LYS 75.A O no hydrogen 3.013 N/A ARG 80.A N VAL 76.A O no hydrogen 3.076 N/A LEU 81.A N GLU 77.A O no hydrogen 3.151 N/A GLN 82.A N LEU 78.A O no hydrogen 2.810 N/A GLN 82.A NE2 HIS 87.A O no hydrogen 3.023 N/A GLN 82.A NE2 GLY 89.A O no hydrogen 2.748 N/A ARG 83.A N LYS 79.A O no hydrogen 3.145 N/A HIS 84.A N ARG 80.A O no hydrogen 3.061 N/A HIS 84.A ND1 ARG 80.A O no hydrogen 2.669 N/A TYR 85.A N LEU 81.A O no hydrogen 2.865 N/A TYR 85.A OH ASP 134.A OD1 no hydrogen 3.275 N/A TYR 85.A OH ASP 134.A OD2 no hydrogen 2.681 N/A ASN 86.A N ARG 83.A O no hydrogen 3.075 N/A HIS 87.A N GLN 82.A O no hydrogen 2.885 N/A HIS 87.A ND1 TYR 115.A OH no hydrogen 2.672 N/A SER 90.A OG SER 14.A O no hydrogen 2.525 N/A HIS 91.A N SER 14.A OG no hydrogen 2.815 N/A HIS 91.A ND1 ASP 116.A OD2 no hydrogen 2.619 N/A HIS 91.A NE2 SER 88.A O no hydrogen 2.730 N/A THR 92.A N ASP 116.A OD1 no hydrogen 3.001 N/A TYR 93.A N GLY 12.A O no hydrogen 2.862 N/A TYR 93.A OH GLU 77.A OE1 no hydrogen 2.805 N/A GLN 94.A N ALA 114.A O no hydrogen 2.936 N/A ARG 95.A N ARG 10.A O no hydrogen 2.926 N/A ARG 95.A NE TYR 113.A OH no hydrogen 2.907 N/A MET 96.A N GLN 112.A O no hydrogen 3.026 N/A ILE 97.A N TYR 8.A O no hydrogen 2.966 N/A GLY 98.A N PHE 110.A O no hydrogen 3.033 N/A CYS 99.A N LEU 6.A O no hydrogen 2.896 N/A GLU 100.A N THR 108.A O no hydrogen 3.040 N/A LEU 101.A N HIS 4.A O no hydrogen 2.975 N/A LEU 102.A N SER 106.A O no hydrogen 2.862 N/A GLY 105.A N LEU 102.A O no hydrogen 2.957 N/A SER 106.A N ASP 104.A OD1 no hydrogen 3.073 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 2.511 N/A SER 106.A OG ASP 104.A OD2 no hydrogen 3.501 N/A THR 108.A N GLU 100.A O no hydrogen 3.169 N/A THR 108.A OG1 GLU 100.A OE1 no hydrogen 3.023 N/A PHE 110.A N GLY 98.A O no hydrogen 2.903 N/A GLN 112.A N MET 96.A O no hydrogen 3.092 N/A TYR 113.A N LEU 121.A O no hydrogen 2.756 N/A ALA 114.A N GLN 94.A O no hydrogen 2.930 N/A TYR 115.A N GLN 118.A O no hydrogen 2.934 N/A TYR 115.A OH HIS 87.A ND1 no hydrogen 2.672 N/A ASP 116.A N THR 92.A O no hydrogen 3.011 N/A GLN 118.A N TYR 115.A O no hydrogen 3.109 N/A PHE 120.A N TYR 113.A O no hydrogen 2.782 N/A LEU 121.A N TYR 113.A O no hydrogen 3.304 N/A ILE 122.A N LEU 131.A O no hydrogen 3.020 N/A PHE 123.A N LEU 111.A O no hydrogen 2.907 N/A ASN 124.A N SER 129.A O no hydrogen 2.838 N/A LYS 125.A NZ GLU 159.A OE2 no hydrogen 2.871 N/A ASP 126.A N ASN 124.A OD1 no hydrogen 3.050 N/A THR 127.A N ASN 124.A OD1 no hydrogen 3.010 N/A THR 127.A OG1 SER 129.A OG no hydrogen 2.937 N/A SER 129.A N ASN 124.A O no hydrogen 3.218 N/A SER 129.A OG THR 127.A OG1 no hydrogen 2.937 N/A TRP 130.A N GLU 145.A OE2 no hydrogen 2.827 N/A LEU 131.A N ILE 122.A O no hydrogen 2.733 N/A VAL 133.A N PHE 120.A O no hydrogen 3.297 N/A ALA 137.A N ASP 134.A OD1 no hydrogen 2.907 N/A HIS 138.A N ASP 134.A O no hydrogen 2.890 N/A THR 139.A N ASN 135.A O no hydrogen 3.099 N/A THR 139.A OG1 ASN 135.A O no hydrogen 3.007 N/A ILE 140.A N VAL 136.A O no hydrogen 3.308 N/A LYS 141.A N ALA 137.A O no hydrogen 2.798 N/A LYS 141.A NZ TRP 130.A O no hydrogen 2.631 N/A LYS 141.A NZ GLU 145.A OE2 no hydrogen 2.817 N/A GLN 142.A N HIS 138.A O no hydrogen 3.130 N/A TRP 144.A N ILE 140.A O no hydrogen 2.894 N/A GLU 145.A N LYS 141.A O no hydrogen 2.817 N/A ASN 147.A N TRP 144.A O no hydrogen 3.308 N/A GLU 150.A N ASN 147.A O no hydrogen 3.044 N/A LEU 152.A N GLN 148.A O no hydrogen 3.184 N/A TYR 153.A N HIS 149.A O no hydrogen 2.836 N/A GLN 154.A N GLU 150.A O no hydrogen 2.940 N/A LYS 155.A N LEU 151.A O no hydrogen 2.965 N/A LYS 155.A NZ LYS 125.A O no hydrogen 2.816 N/A LYS 155.A NZ GLU 159.A OE2 no hydrogen 2.691 N/A ASN 156.A N LEU 152.A O no hydrogen 3.135 N/A TRP 157.A N TYR 153.A O no hydrogen 2.865 N/A LEU 158.A N GLN 154.A O no hydrogen 2.967 N/A GLU 159.A N LYS 155.A O no hydrogen 2.995 N/A GLU 160.A N ASN 156.A O no hydrogen 2.818 N/A GLU 161.A N ASN 156.A O no hydrogen 3.480 N/A CYS 162.A N TRP 157.A O no hydrogen 2.727 N/A ALA 164.A N GLU 160.A O no hydrogen 3.242 N/A TRP 165.A N GLU 161.A O no hydrogen 2.957 N/A LEU 166.A N CYS 162.A O no hydrogen 2.992 N/A LYS 167.A N ILE 163.A O no hydrogen 2.944 N/A ARG 168.A N ALA 164.A O no hydrogen 3.103 N/A ARG 168.A NE TYR 172.A OH no hydrogen 2.750 N/A PHE 169.A N TRP 165.A O no hydrogen 2.847 N/A LEU 170.A N LEU 166.A O no hydrogen 2.889 N/A GLU 171.A N LYS 167.A O no hydrogen 3.313 N/A TYR 172.A N ARG 168.A O no hydrogen 3.251 N/A GLY 173.A N PHE 169.A O no hydrogen 2.940 N/A LYS 174.A N GLU 171.A O no hydrogen 3.328 N/A LYS 174.A NZ GLU 171.A OE1 no hydrogen 2.889 N/A THR 176.A N GLY 173.A O no hydrogen 2.831 N/A LEU 177.A N GLY 173.A O no hydrogen 2.900 N/A GLN 178.A N LYS 174.A O no hydrogen 2.995 N/A ARG 179.A NE GLU 181.A OE2 no hydrogen 3.001 N/A ARG 179.A NH1 THR 176.A O no hydrogen 2.986 N/A ARG 179.A NH2 GLU 181.A OE2 no hydrogen 2.787 N/A ARG 179.A NH2 GLY 228.A O no hydrogen 3.281 N/A GLU 181.A N TYR 198.A O no hydrogen 2.772 N/A LEU 184.A N HIS 195.A O no hydrogen 2.913 N/A ARG 186.A N LYS 193.A O no hydrogen 2.828 N/A ASN 188.A N PHE 191.A O no hydrogen 2.925 N/A LEU 190.A N ILE 236.A O no hydrogen 3.142 N/A PHE 191.A N ASN 188.A O no hydrogen 2.675 N/A CYS 192.A N ALA 234.A O no hydrogen 2.915 N/A LYS 193.A N ARG 186.A O no hydrogen 2.898 N/A ALA 194.A N ALA 232.A O no hydrogen 2.850 N/A HIS 195.A N LEU 184.A O no hydrogen 3.139 N/A PHE 197.A N TYR 230.A O no hydrogen 3.415 N/A TYR 198.A N GLU 181.A O no hydrogen 2.966 N/A TYR 198.A OH HIS 32.A NE2 no hydrogen 2.755 N/A TYR 203.A N GLU 245.A O no hydrogen 2.951 N/A THR 205.A N HIS 243.A O no hydrogen 2.985 N/A TRP 206.A NE1 ALA 234.A O no hydrogen 2.797 N/A MET 207.A N SER 241.A O no hydrogen 3.005 N/A LYS 208.A N GLU 211.A O no hydrogen 2.913 N/A ASN 209.A N LEU 239.A O no hydrogen 2.833 N/A ASN 209.A ND2 ASN 238.A OD1 no hydrogen 3.078 N/A GLU 211.A N LYS 208.A O no hydrogen 3.140 N/A GLU 216.A N ILE 213.A O no hydrogen 3.077 N/A ASP 218.A N SER 235.A O no hydrogen 3.159 N/A GLY 220.A N TRP 233.A O no hydrogen 2.928 N/A LEU 223.A N GLN 231.A O no hydrogen 2.866 N/A SER 225.A N THR 229.A O no hydrogen 2.865 N/A SER 225.A OG GLN 231.A OE1 no hydrogen 3.259 N/A THR 229.A N ASP 227.A OD1 no hydrogen 3.093 N/A THR 229.A OG1 ASP 227.A OD1 no hydrogen 2.555 N/A THR 229.A OG1 ASP 227.A OD2 no hydrogen 3.463 N/A TYR 230.A N PHE 197.A O no hydrogen 2.833 N/A GLN 231.A N LEU 223.A O no hydrogen 3.020 N/A ALA 232.A N ALA 194.A O no hydrogen 2.931 N/A ALA 234.A N CYS 192.A O no hydrogen 2.935 N/A SER 235.A N ASP 218.A O no hydrogen 2.845 N/A ILE 236.A N LEU 190.A O no hydrogen 2.993 N/A LEU 239.A N ASN 209.A OD1 no hydrogen 3.244 N/A SER 241.A N MET 207.A O no hydrogen 3.072 N/A SER 241.A OG HIS 243.A NE2 no hydrogen 3.173 N/A CYS 242.A N LEU 253.A O no hydrogen 2.719 N/A CYS 242.A SG THR 205.A O no hydrogen 3.838 N/A HIS 243.A N THR 205.A O no hydrogen 2.859 N/A HIS 243.A ND1 HIS 250.A NE2 no hydrogen 2.877 N/A VAL 244.A N MET 251.A O no hydrogen 2.839 N/A GLU 245.A N TYR 203.A O no hydrogen 2.864 N/A HIS 246.A N VAL 249.A O no hydrogen 3.041 N/A HIS 246.A NE2 PRO 199.A O no hydrogen 2.832 N/A VAL 249.A N HIS 246.A O no hydrogen 2.967 N/A HIS 250.A ND1 GLU 245.A OE1 no hydrogen 2.931 N/A HIS 250.A NE2 HIS 243.A ND1 no hydrogen 2.877 N/A MET 251.A N VAL 244.A O no hydrogen 2.695 N/A LEU 253.A N CYS 242.A O no hydrogen 2.801 N/A VAL 255.A N TYR 240.A O no hydrogen 2.944 N/A