Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f6f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N HIS 57.A O no hydrogen 2.922 N/A LEU 3.A N LYS 28.A O no hydrogen 2.925 N/A TYR 4.A N THR 55.A O no hydrogen 2.798 N/A TYR 5.A N THR 30.A O no hydrogen 2.946 N/A ARG 6.A NH1 ILE 32.A O no hydrogen 3.013 N/A SER 9.A N ARG 6.A O no hydrogen 3.187 N/A CYS 12.A N SER 9.A OG no hydrogen 3.314 N/A CYS 12.A SG SER 9.A OG no hydrogen 3.340 N/A ARG 13.A N SER 9.A O no hydrogen 2.813 N/A ARG 13.A NE GLY 8.A O no hydrogen 3.177 N/A ARG 13.A NH1 ALA 162.A O no hydrogen 3.273 N/A ARG 13.A NH1 ASN 197.A OD1 no hydrogen 2.929 N/A ARG 13.A NH2 GLY 8.A O no hydrogen 3.006 N/A ARG 13.A NH2 THR 166.A OG1 no hydrogen 2.826 N/A SER 14.A N ALA 10.A O no hydrogen 2.922 N/A SER 14.A OG PRO 11.A O no hydrogen 2.647 N/A VAL 15.A N PRO 11.A O no hydrogen 3.322 N/A LEU 16.A N CYS 12.A O no hydrogen 2.954 N/A MET 17.A N ARG 13.A O no hydrogen 2.904 N/A THR 18.A N SER 14.A O no hydrogen 3.096 N/A THR 18.A OG1 SER 14.A O no hydrogen 2.826 N/A ALA 19.A N VAL 15.A O no hydrogen 2.952 N/A LYS 20.A N LEU 16.A O no hydrogen 3.061 N/A ALA 21.A N MET 17.A O no hydrogen 2.942 N/A LEU 22.A N THR 18.A O no hydrogen 3.053 N/A LEU 22.A N ALA 19.A O no hydrogen 3.097 N/A GLY 23.A N LYS 20.A O no hydrogen 3.144 N/A VAL 24.A N ALA 19.A O no hydrogen 2.906 N/A LYS 28.A N MET 1.A O no hydrogen 3.170 N/A THR 30.A N LEU 3.A O no hydrogen 2.762 N/A THR 30.A OG1 ASP 2.A OD1 no hydrogen 3.073 N/A THR 30.A OG1 ASP 2.A OD2 no hydrogen 3.370 N/A ILE 32.A N TYR 5.A O no hydrogen 2.891 N/A ASN 33.A N GLU 38.A OE1 no hydrogen 2.841 N/A ALA 36.A N ASN 33.A O no hydrogen 3.307 N/A ALA 36.A N ASN 33.A OD1 no hydrogen 3.028 N/A ARG 37.A N THR 34.A O no hydrogen 3.121 N/A GLU 38.A N ASN 33.A O no hydrogen 3.098 N/A GLN 39.A N GLN 39.A OE1 no hydrogen 2.764 N/A PHE 40.A N ARG 37.A O no hydrogen 2.995 N/A THR 41.A OG1 GLU 38.A O no hydrogen 3.340 N/A TYR 44.A N THR 41.A OG1 no hydrogen 3.065 N/A TYR 44.A OH THR 52.A O no hydrogen 2.711 N/A LEU 45.A N THR 41.A O no hydrogen 2.913 N/A LYS 46.A N PRO 42.A O no hydrogen 2.955 N/A ILE 47.A N TYR 44.A O no hydrogen 2.972 N/A ASN 48.A N TYR 44.A O no hydrogen 2.748 N/A ASN 48.A ND2 THR 52.A O no hydrogen 3.284 N/A ASN 48.A ND2 THR 52.A OG1 no hydrogen 3.020 N/A ASN 48.A ND2 THR 55.A OG1 no hydrogen 2.907 N/A GLN 50.A N ASN 48.A OD1 no hydrogen 2.770 N/A HIS 51.A N ASN 48.A O no hydrogen 2.888 N/A THR 55.A N TYR 4.A O no hydrogen 2.972 N/A THR 55.A OG1 TYR 44.A OH no hydrogen 2.990 N/A THR 55.A OG1 THR 52.A O no hydrogen 2.952 N/A LEU 56.A N LEU 63.A O no hydrogen 2.769 N/A HIS 57.A N ASP 2.A O no hydrogen 2.866 N/A ASP 58.A N PHE 61.A O no hydrogen 2.709 N/A HIS 59.A ND1 ASP 58.A OD1 no hydrogen 2.899 N/A PHE 61.A N ASP 58.A O no hydrogen 2.947 N/A LEU 63.A N LEU 56.A O no hydrogen 2.897 N/A TRP 64.A NE1 GLN 50.A OE1 no hydrogen 2.930 N/A ARG 67.A NE ASP 101.A OD2 no hydrogen 2.926 N/A ARG 67.A NH2 ASP 101.A OD2 no hydrogen 2.835 N/A ILE 69.A N GLU 65.A O no hydrogen 2.985 N/A MET 70.A N SER 66.A O no hydrogen 2.869 N/A VAL 71.A N ARG 67.A O no hydrogen 3.274 N/A TYR 72.A N ALA 68.A O no hydrogen 2.938 N/A TYR 72.A OH ASP 58.A OD2 no hydrogen 2.579 N/A LEU 73.A N ILE 69.A O no hydrogen 2.871 N/A VAL 74.A N MET 70.A O no hydrogen 3.133 N/A GLU 75.A N VAL 71.A O no hydrogen 2.918 N/A LYS 76.A N TYR 72.A O no hydrogen 2.870 N/A LYS 76.A NZ TYR 72.A OH no hydrogen 2.963 N/A TYR 77.A N LEU 73.A O no hydrogen 2.840 N/A TYR 77.A OH ASP 58.A OD1 no hydrogen 3.119 N/A TYR 77.A OH ASP 58.A OD2 no hydrogen 2.590 N/A GLY 78.A N VAL 74.A O no hydrogen 3.025 N/A LYS 82.A N ASP 80.A OD1 no hydrogen 3.154 N/A PHE 84.A N ASP 81.A O no hydrogen 2.902 N/A LYS 86.A N ASP 81.A OD2 no hydrogen 2.825 N/A LYS 90.A N ASP 87.A OD1 no hydrogen 2.914 N/A GLN 91.A N ASP 87.A O no hydrogen 2.879 N/A GLN 91.A NE2 PRO 85.A O no hydrogen 2.562 N/A ALA 92.A N VAL 88.A O no hydrogen 2.910 N/A LEU 93.A N GLN 89.A O no hydrogen 3.062 N/A ILE 94.A N LYS 90.A O no hydrogen 3.145 N/A ASN 95.A N GLN 91.A O no hydrogen 2.800 N/A GLN 96.A N ALA 92.A O no hydrogen 2.922 N/A ARG 97.A N LEU 93.A O no hydrogen 3.053 N/A ARG 97.A NE SER 148.A O no hydrogen 2.806 N/A ARG 97.A NH1 GLN 96.A OE1 no hydrogen 2.704 N/A ARG 97.A NH2 SER 148.A O no hydrogen 3.496 N/A LEU 98.A N ILE 94.A O no hydrogen 2.838 N/A TYR 99.A N ASN 95.A O no hydrogen 2.985 N/A PHE 100.A N GLN 96.A O no hydrogen 2.938 N/A ASP 101.A N ARG 97.A O no hydrogen 2.869 N/A MET 102.A N LEU 98.A O no hydrogen 3.060 N/A GLY 103.A N TYR 99.A O no hydrogen 2.758 N/A THR 104.A N PHE 100.A O no hydrogen 2.886 N/A LEU 105.A N PHE 100.A O no hydrogen 2.931 N/A TYR 106.A N ASP 101.A O no hydrogen 2.735 N/A TYR 106.A OH TYR 114.A OH no hydrogen 2.765 N/A SER 108.A N THR 104.A O no hydrogen 3.017 N/A SER 108.A N LEU 105.A O no hydrogen 3.163 N/A SER 108.A OG LEU 105.A O no hydrogen 2.769 N/A PHE 109.A N LEU 105.A O no hydrogen 3.318 N/A SER 110.A N TYR 106.A O no hydrogen 2.958 N/A SER 110.A OG LYS 107.A O no hydrogen 3.154 N/A GLU 111.A N LYS 107.A O no hydrogen 2.889 N/A TYR 112.A N SER 108.A O no hydrogen 3.230 N/A TYR 113.A N PHE 109.A O no hydrogen 2.899 N/A TYR 114.A N SER 110.A O no hydrogen 2.949 N/A TYR 114.A OH TYR 106.A OH no hydrogen 2.765 N/A GLN 116.A NE2 TYR 112.A O no hydrogen 2.917 N/A ILE 117.A N TYR 113.A O no hydrogen 2.846 N/A PHE 118.A N TYR 114.A O no hydrogen 2.921 N/A LEU 119.A N TYR 114.A O no hydrogen 3.315 N/A LYS 120.A N GLN 116.A O no hydrogen 3.032 N/A LYS 120.A NZ ILE 117.A O no hydrogen 2.970 N/A LYS 121.A N PRO 115.A O no hydrogen 2.902 N/A ASN 127.A N ASN 124.A OD1 no hydrogen 3.014 N/A TYR 128.A N ASN 124.A O no hydrogen 3.058 N/A LYS 129.A N GLU 125.A O no hydrogen 2.996 N/A LYS 130.A N GLU 126.A O no hydrogen 3.171 N/A ILE 131.A N ASN 127.A O no hydrogen 3.303 N/A GLU 132.A N TYR 128.A O no hydrogen 3.179 N/A VAL 133.A N LYS 129.A O no hydrogen 2.887 N/A ALA 134.A N LYS 130.A O no hydrogen 3.023 N/A PHE 135.A N ILE 131.A O no hydrogen 2.865 N/A GLU 136.A N GLU 132.A O no hydrogen 2.852 N/A PHE 137.A N VAL 133.A O no hydrogen 3.085 N/A LEU 138.A N ALA 134.A O no hydrogen 3.034 N/A ASN 139.A N PHE 135.A O no hydrogen 2.761 N/A THR 140.A N GLU 136.A O no hydrogen 2.935 N/A THR 140.A OG1 GLU 136.A O no hydrogen 3.092 N/A PHE 141.A N PHE 137.A O no hydrogen 2.859 N/A LEU 142.A N LEU 138.A O no hydrogen 3.026 N/A GLU 143.A N THR 140.A O no hydrogen 3.082 N/A GLN 145.A N LEU 142.A O no hydrogen 3.005 N/A SER 148.A N ASP 157.A OD1 no hydrogen 2.905 N/A SER 148.A OG ASP 157.A OD1 no hydrogen 2.790 N/A TYR 153.A OH THR 191.A OG1 no hydrogen 2.638 N/A SER 154.A N ASP 157.A OD2 no hydrogen 2.802 N/A LEU 155.A N LEU 83.A O no hydrogen 2.967 N/A ALA 156.A N SER 154.A OG no hydrogen 3.136 N/A ASP 157.A N SER 154.A O no hydrogen 2.938 N/A ILE 158.A N SER 154.A O no hydrogen 3.415 N/A ALA 159.A N LEU 155.A O no hydrogen 2.963 N/A PHE 160.A N ALA 156.A O no hydrogen 2.912 N/A LEU 161.A N ASP 157.A O no hydrogen 2.846 N/A ALA 162.A N ILE 158.A O no hydrogen 3.000 N/A THR 163.A N ALA 159.A O no hydrogen 3.073 N/A THR 163.A OG1 ASP 101.A OD1 no hydrogen 2.637 N/A THR 163.A OG1 ASP 101.A OD2 no hydrogen 3.496 N/A THR 163.A OG1 ALA 159.A O no hydrogen 3.477 N/A VAL 164.A N PHE 160.A O no hydrogen 2.743 N/A SER 165.A N LEU 161.A O no hydrogen 2.908 N/A SER 165.A OG LEU 161.A O no hydrogen 2.769 N/A SER 165.A OG ALA 162.A O no hydrogen 3.088 N/A THR 166.A N THR 163.A O no hydrogen 2.996 N/A THR 166.A OG1 ALA 162.A O no hydrogen 2.723 N/A PHE 167.A N THR 163.A O no hydrogen 3.156 N/A ASP 168.A N VAL 164.A O no hydrogen 2.811 N/A VAL 169.A N SER 165.A O no hydrogen 2.937 N/A ALA 170.A N THR 166.A O no hydrogen 2.990 N/A GLY 171.A N ASP 168.A O no hydrogen 3.045 N/A PHE 172.A N PHE 167.A O no hydrogen 3.009 N/A ARG 176.A NH2 TYR 128.A OH no hydrogen 3.430 N/A ARG 176.A NH2 GLU 132.A OE2 no hydrogen 2.793 N/A TYR 177.A N PHE 174.A O no hydrogen 2.928 N/A ASN 179.A N ASN 139.A OD1 no hydrogen 2.850 N/A ASN 179.A ND2 ASN 139.A O no hydrogen 2.881 N/A ASN 179.A ND2 GLU 143.A OE2 no hydrogen 2.904 N/A VAL 180.A N ASN 139.A OD1 no hydrogen 3.204 N/A ALA 181.A N TYR 177.A O no hydrogen 2.873 N/A ARG 182.A N ALA 178.A O no hydrogen 3.073 N/A ARG 182.A NH1 GLN 145.A O no hydrogen 2.753 N/A ARG 182.A NH2 LEU 142.A O no hydrogen 3.000 N/A ARG 182.A NH2 GLN 145.A O no hydrogen 3.173 N/A ARG 182.A NH2 ASN 179.A OD1 no hydrogen 3.510 N/A TRP 183.A N ASN 179.A O no hydrogen 2.902 N/A TRP 183.A NE1 ASP 157.A OD1 no hydrogen 2.848 N/A TYR 184.A N VAL 180.A O no hydrogen 2.898 N/A TYR 184.A OH ASP 168.A OD2 no hydrogen 2.726 N/A GLU 185.A N ALA 181.A O no hydrogen 3.232 N/A ASN 186.A N ARG 182.A O no hydrogen 3.210 N/A ALA 187.A N TRP 183.A O no hydrogen 2.771 N/A LYS 188.A N TYR 184.A O no hydrogen 3.005 N/A LYS 188.A NZ GLU 185.A OE2 no hydrogen 2.570 N/A LYS 189.A N ASN 186.A O no hydrogen 3.041 N/A LEU 190.A N ALA 187.A O no hydrogen 2.979 N/A THR 191.A N LYS 188.A O no hydrogen 3.184 N/A THR 191.A OG1 TYR 153.A OH no hydrogen 2.638 N/A THR 191.A OG1 ALA 187.A O no hydrogen 2.672 N/A TRP 194.A N THR 191.A O no hydrogen 2.959 N/A ASN 197.A N GLY 193.A O no hydrogen 3.022 N/A ASN 197.A ND2 SER 165.A OG no hydrogen 3.039 N/A TRP 198.A N TRP 194.A O no hydrogen 2.854 N/A ALA 199.A N GLU 195.A O no hydrogen 3.006 N/A GLY 200.A N GLU 196.A O no hydrogen 2.983 N/A CYS 201.A N ASN 197.A O no hydrogen 2.904 N/A CYS 201.A SG SER 165.A O no hydrogen 3.749 N/A CYS 201.A SG SER 165.A OG no hydrogen 3.444 N/A CYS 201.A SG ASN 197.A O no hydrogen 3.464 N/A GLN 202.A N TRP 198.A O no hydrogen 3.304 N/A GLN 202.A N ALA 199.A O no hydrogen 3.029 N/A GLN 202.A NE2 TRP 198.A O no hydrogen 2.941 N/A PHE 204.A N GLY 200.A O no hydrogen 3.245 N/A ARG 205.A N CYS 201.A O no hydrogen 2.891 N/A LYS 206.A N GLU 203.A O no hydrogen 3.199 N/A LYS 206.A NZ GLU 203.A OE1 no hydrogen 2.845 N/A TYR 207.A N PHE 204.A O no hydrogen 3.033 N/A PHE 208.A N ARG 205.A O no hydrogen 2.829 N/A ASP 209.A N LYS 206.A O no hydrogen 3.190 N/A