Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nq8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG LEU 1.A O no hydrogen 3.348 N/A SER 5.A N LEU 1.A O no hydrogen 2.953 N/A SER 5.A OG LEU 1.A O no hydrogen 2.516 N/A LEU 6.A N LYS 2.A O no hydrogen 3.164 N/A ARG 7.A N ALA 3.A O no hydrogen 3.265 N/A ARG 7.A NH1 ASP 217.A OD1 no hydrogen 2.849 N/A ARG 7.A NH1 ASP 217.A OD2 no hydrogen 3.220 N/A ARG 7.A NH2 ALA 225.A O no hydrogen 3.507 N/A ALA 8.A N SER 4.A O no hydrogen 2.856 N/A LEU 9.A N SER 5.A O no hydrogen 2.979 N/A LYS 10.A N LEU 6.A O no hydrogen 3.201 N/A LEU 11.A N ARG 7.A O no hydrogen 3.199 N/A LEU 11.A N ALA 8.A O no hydrogen 3.019 N/A MET 12.A N LEU 9.A O no hydrogen 3.110 N/A HIS 13.A N PHE 232.A O no hydrogen 2.809 N/A LEU 14.A N ALA 42.A O no hydrogen 2.907 N/A ALA 15.A N ALA 234.A O no hydrogen 2.863 N/A THR 16.A N PHE 44.A O no hydrogen 2.845 N/A THR 16.A OG1 ASP 21.A OD1 no hydrogen 2.533 N/A ALA 18.A N THR 16.A OG1 no hydrogen 3.100 N/A THR 22.A N ASP 21.A OD2 no hydrogen 2.925 N/A ASN 25.A N THR 22.A OG1 no hydrogen 3.057 N/A ASN 25.A ND2 ASP 21.A OD2 no hydrogen 2.787 N/A VAL 26.A N THR 22.A O no hydrogen 3.034 N/A ILE 27.A N ASP 23.A O no hydrogen 2.812 N/A ALA 28.A N GLU 24.A O no hydrogen 2.988 N/A LEU 29.A N ASN 25.A O no hydrogen 2.890 N/A CYS 30.A N VAL 26.A O no hydrogen 2.930 N/A CYS 30.A SG VAL 26.A O no hydrogen 3.437 N/A CYS 30.A SG ALA 53.A O no hydrogen 3.875 N/A HIS 31.A N ILE 27.A O no hydrogen 3.082 N/A HIS 31.A ND1 GLN 60.A OE1 no hydrogen 2.877 N/A GLN 32.A N ALA 28.A O no hydrogen 2.890 N/A ALA 33.A N LEU 29.A O no hydrogen 3.012 N/A LYS 34.A N HIS 31.A O no hydrogen 3.122 N/A LYS 34.A NZ GLN 60.A O no hydrogen 2.845 N/A THR 35.A N GLY 38.A O no hydrogen 2.894 N/A THR 35.A OG1 GLY 38.A O no hydrogen 2.694 N/A VAL 37.A N THR 35.A OG1 no hydrogen 3.232 N/A GLY 38.A N THR 35.A O no hydrogen 3.437 N/A THR 40.A N ALA 33.A O no hydrogen 3.040 N/A THR 40.A OG1 ALA 42.A O no hydrogen 3.102 N/A ALA 42.A N MET 12.A O no hydrogen 3.217 N/A ILE 43.A N ARG 66.A O no hydrogen 2.893 N/A PHE 44.A N LEU 14.A O no hydrogen 2.833 N/A ILE 45.A N CYS 68.A O no hydrogen 3.013 N/A TYR 46.A OH ALA 18.A O no hydrogen 3.056 N/A PHE 49.A N TYR 46.A O no hydrogen 3.086 N/A ILE 50.A N PRO 47.A O no hydrogen 3.038 N/A ALA 53.A N PHE 49.A O no hydrogen 2.996 N/A ARG 54.A N ILE 50.A O no hydrogen 2.876 N/A ARG 54.A NH1 ASP 96.A OD2 no hydrogen 2.892 N/A ARG 54.A NH2 GLY 94.A O no hydrogen 2.673 N/A ARG 54.A NH2 ASP 96.A OD1 no hydrogen 3.190 N/A ARG 54.A NH2 ASP 96.A OD2 no hydrogen 3.109 N/A LYS 55.A N PRO 51.A O no hydrogen 3.254 N/A THR 56.A N ILE 52.A O no hydrogen 2.988 N/A THR 56.A OG1 ILE 52.A O no hydrogen 2.788 N/A LEU 57.A N ALA 53.A O no hydrogen 2.874 N/A LYS 58.A N ARG 54.A O no hydrogen 3.086 N/A GLU 59.A N LYS 55.A O no hydrogen 3.010 N/A GLN 60.A N THR 56.A O no hydrogen 3.197 N/A GLN 60.A NE2 CYS 30.A O no hydrogen 2.959 N/A GLN 60.A NE2 THR 62.A OG1 no hydrogen 2.891 N/A GLY 61.A N LYS 58.A O no hydrogen 2.938 N/A THR 62.A N LEU 57.A O no hydrogen 2.962 N/A THR 62.A OG1 LEU 57.A O no hydrogen 3.292 N/A GLU 64.A N GLU 64.A OE1 no hydrogen 2.702 N/A ILE 65.A N THR 62.A O no hydrogen 3.170 N/A ARG 66.A N ASP 41.A O no hydrogen 3.026 N/A ILE 67.A N ASP 96.A OD2 no hydrogen 2.823 N/A CYS 68.A N ILE 43.A O no hydrogen 2.892 N/A THR 69.A N GLY 97.A O no hydrogen 3.036 N/A THR 69.A OG1 ILE 45.A O no hydrogen 2.647 N/A SER 70.A N THR 69.A OG1 no hydrogen 2.865 N/A THR 71.A N ALA 99.A O no hydrogen 2.954 N/A THR 71.A OG1 THR 87.A OG1 no hydrogen 3.162 N/A ASN 72.A N GLU 86.A OE1 no hydrogen 2.749 N/A ASN 72.A ND2 ASN 77.A O no hydrogen 2.958 N/A ASN 72.A ND2 VAL 101.A O no hydrogen 2.900 N/A GLY 76.A N ASN 72.A O no hydrogen 2.974 N/A ILE 82.A N ASP 79.A OD1 no hydrogen 2.933 N/A ALA 83.A N ASP 79.A O no hydrogen 3.134 N/A LEU 84.A N ILE 80.A O no hydrogen 2.833 N/A ALA 85.A N ASP 81.A O no hydrogen 2.964 N/A GLU 86.A N ILE 82.A O no hydrogen 2.944 N/A THR 87.A N ALA 83.A O no hydrogen 2.973 N/A THR 87.A OG1 THR 71.A OG1 no hydrogen 3.162 N/A THR 87.A OG1 ALA 83.A O no hydrogen 2.858 N/A ARG 88.A N LEU 84.A O no hydrogen 2.840 N/A ALA 89.A N ALA 85.A O no hydrogen 2.940 N/A ALA 90.A N GLU 86.A O no hydrogen 2.911 N/A ILE 91.A N THR 87.A O no hydrogen 2.964 N/A ALA 92.A N ARG 88.A O no hydrogen 2.950 N/A TYR 93.A N ALA 89.A O no hydrogen 2.857 N/A GLY 94.A N ALA 90.A O no hydrogen 3.295 N/A GLY 94.A N ILE 91.A O no hydrogen 2.986 N/A ALA 95.A N ALA 90.A O no hydrogen 3.078 N/A ASP 96.A N ILE 67.A O no hydrogen 2.857 N/A GLY 97.A N ILE 67.A O no hydrogen 3.313 N/A VAL 98.A N LEU 132.A O no hydrogen 2.945 N/A ALA 99.A N THR 69.A O no hydrogen 2.731 N/A VAL 100.A N SER 134.A O no hydrogen 2.881 N/A VAL 101.A N THR 71.A O no hydrogen 3.111 N/A PHE 102.A N ILE 136.A O no hydrogen 2.819 N/A TYR 104.A N PHE 102.A O no hydrogen 2.766 N/A ARG 105.A NH2 HIS 75.A O no hydrogen 3.033 N/A ARG 105.A NH2 GLY 76.A O no hydrogen 3.497 N/A ARG 105.A NH2 ASN 77.A OD1 no hydrogen 2.777 N/A LEU 107.A N PRO 103.A O no hydrogen 3.214 N/A MET 108.A N TYR 104.A O no hydrogen 2.843 N/A ALA 109.A N ARG 105.A O no hydrogen 2.973 N/A ALA 109.A N ALA 106.A O no hydrogen 3.056 N/A GLY 110.A N LEU 107.A O no hydrogen 2.866 N/A ASN 111.A N ALA 106.A O no hydrogen 2.901 N/A GLN 113.A N ASN 111.A OD1 no hydrogen 2.860 N/A GLN 113.A NE2 ASP 117.A OD1 no hydrogen 3.037 N/A VAL 114.A N ASN 111.A OD1 no hydrogen 3.033 N/A ASP 117.A N GLN 113.A O no hydrogen 3.017 N/A LEU 118.A N VAL 114.A O no hydrogen 2.838 N/A VAL 119.A N GLY 115.A O no hydrogen 3.024 N/A LYS 120.A N PHE 116.A O no hydrogen 2.907 N/A ALA 121.A N ASP 117.A O no hydrogen 2.970 N/A CYS 122.A N LEU 118.A O no hydrogen 3.164 N/A CYS 122.A SG THR 87.A OG1 no hydrogen 3.421 N/A CYS 122.A SG LEU 118.A O no hydrogen 3.476 N/A LYS 123.A N VAL 119.A O no hydrogen 2.797 N/A LYS 123.A NZ GLY 159.A O no hydrogen 2.707 N/A LYS 123.A NZ ASP 161.A OD1 no hydrogen 3.394 N/A GLU 124.A N LYS 120.A O no hydrogen 2.969 N/A ALA 125.A N ALA 121.A O no hydrogen 3.348 N/A CYS 126.A N CYS 122.A O no hydrogen 2.956 N/A CYS 126.A SG CYS 122.A O no hydrogen 3.427 N/A ALA 127.A N LYS 123.A O no hydrogen 2.802 N/A ALA 128.A N GLU 124.A O no hydrogen 3.242 N/A ALA 129.A N CYS 126.A O no hydrogen 2.939 N/A ASN 130.A N ALA 127.A O no hydrogen 3.177 N/A VAL 131.A N CYS 126.A O no hydrogen 2.929 N/A LEU 132.A N ASP 96.A O no hydrogen 3.169 N/A LEU 133.A N ASP 161.A OD2 no hydrogen 2.826 N/A SER 134.A N VAL 98.A O no hydrogen 2.786 N/A VAL 135.A N TYR 162.A O no hydrogen 2.904 N/A ILE 136.A N VAL 100.A O no hydrogen 2.868 N/A ILE 137.A N VAL 164.A O no hydrogen 3.026 N/A THR 139.A N THR 165.A O no hydrogen 2.851 N/A THR 139.A OG1 THR 165.A O no hydrogen 3.481 N/A GLU 141.A N GLU 138.A O no hydrogen 2.967 N/A LEU 142.A N GLU 138.A O no hydrogen 3.012 N/A LYS 143.A N THR 139.A O no hydrogen 2.828 N/A ASP 144.A N LEU 142.A O no hydrogen 2.674 N/A LEU 147.A N ASP 144.A OD1 no hydrogen 3.167 N/A ILE 148.A N ASP 144.A O no hydrogen 2.986 N/A ARG 149.A N GLU 145.A O no hydrogen 2.886 N/A ARG 149.A NE GLU 145.A OE2 no hydrogen 3.064 N/A ARG 149.A NH1 GLU 184.A OE1 no hydrogen 3.540 N/A ARG 149.A NH2 GLU 145.A OE2 no hydrogen 2.886 N/A ARG 149.A NH2 GLU 184.A OE1 no hydrogen 2.687 N/A LYS 150.A N ALA 146.A O no hydrogen 2.946 N/A LYS 150.A NZ GLU 153.A OE1 no hydrogen 2.884 N/A ALA 151.A N LEU 147.A O no hydrogen 2.877 N/A SER 152.A N ILE 148.A O no hydrogen 3.078 N/A SER 152.A OG ILE 148.A O no hydrogen 2.871 N/A GLU 153.A N ARG 149.A O no hydrogen 2.877 N/A ILE 154.A N LYS 150.A O no hydrogen 2.893 N/A SER 155.A N ALA 151.A O no hydrogen 2.997 N/A SER 155.A OG ALA 151.A O no hydrogen 2.832 N/A ILE 156.A N SER 152.A O no hydrogen 2.935 N/A LYS 157.A N GLU 153.A O no hydrogen 2.888 N/A LYS 157.A NZ GLU 153.A OE2 no hydrogen 2.884 N/A ALA 158.A N ILE 154.A O no hydrogen 2.932 N/A GLY 159.A N ILE 156.A O no hydrogen 3.012 N/A ALA 160.A N SER 155.A O no hydrogen 2.906 N/A ASP 161.A N LEU 133.A O no hydrogen 2.795 N/A TYR 162.A N LEU 133.A O no hydrogen 3.258 N/A TYR 162.A OH ALA 227.A O no hydrogen 2.727 N/A ILE 163.A N GLY 196.A O no hydrogen 2.887 N/A VAL 164.A N VAL 135.A O no hydrogen 2.831 N/A THR 165.A N ILE 198.A O no hydrogen 2.991 N/A THR 165.A OG1 SER 166.A OG no hydrogen 2.837 N/A THR 165.A OG1 VAL 200.A O no hydrogen 3.146 N/A SER 166.A OG THR 165.A OG1 no hydrogen 2.837 N/A SER 166.A OG VAL 200.A O no hydrogen 3.281 N/A THR 167.A N GLU 138.A OE1 no hydrogen 2.947 N/A THR 167.A OG1 GLU 138.A OE2 no hydrogen 2.715 N/A LYS 169.A N THR 167.A OG1 no hydrogen 2.954 N/A LYS 169.A NZ ALA 18.A O no hydrogen 3.111 N/A LYS 169.A NZ ASN 19.A OD1 no hydrogen 2.781 N/A ALA 174.A N VAL 200.A O no hydrogen 2.874 N/A THR 175.A N SER 178.A OG.A no hydrogen 3.125 N/A THR 175.A OG1 SER 178.A OG.A no hydrogen 3.275 N/A THR 175.A OG1 SER 178.A OG.B no hydrogen 3.280 N/A SER 178.A N THR 175.A OG1 no hydrogen 3.008 N/A SER 178.A OG.A THR 175.A O no hydrogen 3.164 N/A SER 178.A OG.A THR 175.A OG1 no hydrogen 3.275 N/A SER 178.A OG.B THR 175.A OG1 no hydrogen 3.280 N/A ALA 179.A N THR 175.A O no hydrogen 2.960 N/A ARG 180.A N PRO 176.A O no hydrogen 3.002 N/A ILE 181.A N GLU 177.A O no hydrogen 3.075 N/A MET 182.A N SER 178.A O no hydrogen 3.020 N/A MET 183.A N ALA 179.A O no hydrogen 2.921 N/A GLU 184.A N ARG 180.A O no hydrogen 2.888 N/A VAL 185.A N ILE 181.A O no hydrogen 3.148 N/A ILE 186.A N MET 182.A O no hydrogen 3.184 N/A ARG 187.A N MET 183.A O no hydrogen 3.080 N/A ARG 187.A NH2 LEU 219.A O no hydrogen 2.926 N/A ASP 188.A N GLU 184.A O no hydrogen 2.826 N/A MET 189.A N VAL 185.A O no hydrogen 2.912 N/A GLY 190.A N ARG 187.A O no hydrogen 2.929 N/A VAL 191.A N ILE 186.A O no hydrogen 3.160 N/A THR 194.A N VAL 191.A O no hydrogen 3.014 N/A THR 194.A OG1 VAL 191.A O no hydrogen 3.390 N/A VAL 195.A N VAL 191.A O no hydrogen 2.944 N/A GLY 196.A N ASP 161.A O no hydrogen 2.905 N/A PHE 197.A N HIS 229.A O no hydrogen 2.903 N/A ILE 198.A N ILE 163.A O no hydrogen 3.055 N/A VAL 200.A N THR 165.A OG1 no hydrogen 3.008 N/A ARG 204.A N ASP 208.A OD2 no hydrogen 2.967 N/A THR 205.A N ASP 208.A OD2 no hydrogen 3.119 N/A THR 205.A OG1 GLU 207.A OE1 no hydrogen 3.544 N/A ALA 206.A N SER 241.A OG no hydrogen 2.868 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.817 N/A ASP 208.A N THR 205.A OG1 no hydrogen 3.016 N/A ALA 209.A N THR 205.A O no hydrogen 3.007 N/A GLN 210.A N ALA 206.A O no hydrogen 2.975 N/A LYS 211.A N GLU 207.A O no hydrogen 3.264 N/A TYR 212.A N ASP 208.A O no hydrogen 3.118 N/A LEU 213.A N ALA 209.A O no hydrogen 3.041 N/A ALA 214.A N GLN 210.A O no hydrogen 2.949 N/A ILE 215.A N LYS 211.A O no hydrogen 3.229 N/A ILE 215.A N TYR 212.A O no hydrogen 3.139 N/A ALA 216.A N TYR 212.A O no hydrogen 3.303 N/A ASP 217.A N LEU 213.A O no hydrogen 2.905 N/A GLU 218.A N ALA 214.A O no hydrogen 2.913 N/A LEU 219.A N ILE 215.A O no hydrogen 2.934 N/A PHE 220.A N ALA 216.A O no hydrogen 2.899 N/A GLY 221.A N ASP 217.A O no hydrogen 2.891 N/A TRP 224.A N GLY 221.A O no hydrogen 3.240 N/A TRP 224.A NE1 GLU 192.A O no hydrogen 2.833 N/A ASP 226.A N TRP 224.A O no hydrogen 2.748 N/A ARG 228.A NH1 ASP 161.A O no hydrogen 2.945 N/A ARG 228.A NH1 ARG 228.A O no hydrogen 2.780 N/A ARG 228.A NH2 THR 194.A O no hydrogen 2.933 N/A HIS 229.A N ASP 226.A O no hydrogen 2.957 N/A HIS 229.A N ASP 226.A OD1 no hydrogen 3.173 N/A HIS 229.A ND1 ASP 226.A OD1 no hydrogen 2.677 N/A HIS 229.A NE2 ASN 193.A O no hydrogen 2.791 N/A TYR 230.A N ASP 226.A O no hydrogen 2.867 N/A ALA 231.A N PHE 197.A O no hydrogen 3.229 N/A PHE 232.A N LEU 11.A O no hydrogen 3.105 N/A GLY 233.A N PRO 199.A O no hydrogen 3.185 N/A ALA 234.A N HIS 13.A O no hydrogen 3.332 N/A LEU 239.A N SER 235.A O no hydrogen 3.232 N/A ALA 240.A N GLY 236.A O no hydrogen 2.778 N/A SER 241.A N SER 237.A O no hydrogen 2.914 N/A LEU 242.A N LEU 238.A O no hydrogen 2.853 N/A LEU 243.A N LEU 239.A O no hydrogen 2.957 N/A LYS 244.A N ALA 240.A O no hydrogen 2.909 N/A ALA 245.A N SER 241.A O no hydrogen 2.965 N/A LEU 246.A N LEU 242.A O no hydrogen 3.018 N/A