Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s3q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A OG.A TRP 208.A O no hydrogen 3.438 N/A PHE 7.A N TRP 208.A O no hydrogen 2.924 N/A SER 9.A N ILE 206.A O no hydrogen 2.876 N/A SER 9.A OG ILE 206.A O no hydrogen 2.725 N/A ARG 10.A N ASP 8.A OD1 no hydrogen 2.816 N/A ARG 10.A NE ASP 8.A OD1 no hydrogen 3.040 N/A ARG 10.A NE ASP 8.A OD2 no hydrogen 3.257 N/A ARG 10.A NH2 ASP 8.A OD2 no hydrogen 2.748 N/A LYS 11.A N ASP 8.A O no hydrogen 2.936 N/A LYS 12.A N ASP 8.A O no hydrogen 3.121 N/A LYS 12.A NZ MET 167.A O no hydrogen 2.710 N/A TRP 13.A N SER 9.A O no hydrogen 3.130 N/A CYS 16.A N TRP 13.A O no hydrogen 2.937 N/A LYS 17.A N ASN 53.A OD1 no hydrogen 3.229 N/A LYS 17.A NZ PRO 14.A O no hydrogen 2.767 N/A SER 18.A OG ASP 42.A OD1 no hydrogen 2.688 N/A ILE 19.A N CYS 16.A O no hydrogen 3.211 N/A THR 21.A N SER 18.A O no hydrogen 2.998 N/A THR 21.A OG1 LYS 17.A O no hydrogen 3.167 N/A THR 21.A OG1 GLU 55.A OE1.A no hydrogen 3.027 N/A ARG 23.A NH1 LEU 56.A O no hydrogen 2.895 N/A ARG 23.A NH2 LEU 56.A O no hydrogen 2.869 N/A GLN 25.A N SER 222.A O no hydrogen 2.902 N/A GLN 25.A NE2 SER 222.A O no hydrogen 3.699 N/A GLN 25.A NE2 SER 222.A OG no hydrogen 2.844 N/A SER 26.A N ASP 24.A OD1 no hydrogen 2.840 N/A SER 26.A OG PRO 107.A O no hydrogen 2.640 N/A ARG 27.A NE CYS 120.A O no hydrogen 2.753 N/A ARG 27.A NH1 TYR 125.A OH no hydrogen 3.019 N/A ARG 27.A NH2 PRO 119.A O no hydrogen 2.868 N/A CYS 28.A SG TYR 104.A OH no hydrogen 3.899 N/A GLY 29.A N CYS 72.A O no hydrogen 2.749 N/A SER 30.A OG TYR 104.A OH no hydrogen 2.994 N/A TRP 32.A NE1 GLY 71.A O no hydrogen 3.052 N/A ALA 33.A N SER 30.A O no hydrogen 2.785 N/A PHE 34.A N SER 30.A O no hydrogen 2.968 N/A GLY 35.A N CYS 31.A O no hydrogen 2.902 N/A VAL 37.A N ALA 33.A O no hydrogen 2.930 N/A GLU 38.A N PHE 34.A O no hydrogen 2.864 N/A ALA 39.A N GLY 35.A O no hydrogen 3.170 N/A MET 40.A N ALA 36.A O no hydrogen 2.740 N/A SER 41.A N VAL 37.A O no hydrogen 2.811 N/A SER 41.A OG VAL 37.A O no hydrogen 2.641 N/A ASP 42.A N GLU 38.A O no hydrogen 2.938 N/A ARG 43.A N ALA 39.A O no hydrogen 2.849 N/A ARG 43.A NE PRO 171.A O no hydrogen 2.820 N/A ARG 43.A NH1 TYR 153.A OH no hydrogen 3.427 N/A ARG 43.A NH1 GLU 165.A OE2 no hydrogen 3.155 N/A ARG 43.A NH1 GLY 251.A O no hydrogen 2.756 N/A ARG 43.A NH2 GLU 165.A OE2 no hydrogen 2.844 N/A ARG 43.A NH2 GLY 170.A O no hydrogen 2.886 N/A SER 44.A N MET 40.A O no hydrogen 2.799 N/A SER 44.A OG MET 40.A O no hydrogen 2.911 N/A CYS 45.A N SER 41.A O no hydrogen 3.226 N/A ILE 46.A N ASP 42.A O no hydrogen 2.846 N/A GLN 47.A N ARG 43.A O no hydrogen 2.776 N/A GLN 47.A NE2 TYR 169.A O no hydrogen 2.947 N/A GLN 47.A NE2 GLY 251.A O no hydrogen 3.550 N/A SER 48.A N CYS 45.A O no hydrogen 3.292 N/A SER 48.A OG SER 44.A O no hydrogen 2.615 N/A SER 48.A OG CYS 45.A O no hydrogen 3.274 N/A GLY 49.A N ILE 46.A O no hydrogen 3.325 N/A GLY 50.A N CYS 45.A O no hydrogen 2.860 N/A LYS 51.A N SER 48.A O no hydrogen 3.138 N/A GLN 52.A N SER 48.A OG no hydrogen 2.994 N/A ASN 53.A ND2 ARG 15.A O no hydrogen 2.977 N/A LEU 56.A N SER 41.A OG no hydrogen 2.866 N/A SER 57.A N VAL 90.A O no hydrogen 2.752 N/A SER 57.A OG GLU 102.A O no hydrogen 2.922 N/A ASP 60.A N SER 57.A OG no hydrogen 3.001 N/A LEU 62.A N ALA 58.A O no hydrogen 2.881 N/A SER 63.A N VAL 59.A O no hydrogen 2.813 N/A SER 63.A OG.A VAL 59.A O no hydrogen 2.663 N/A SER 63.A OG.A ARG 129.A O no hydrogen 3.351 N/A SER 63.A OG.B PRO 128.A O no hydrogen 2.714 N/A CYS 64.A N ASP 60.A O no hydrogen 2.926 N/A CYS 64.A SG ASP 60.A OD1 no hydrogen 3.441 N/A CYS 64.A SG SER 63.A OG.A no hydrogen 3.532 N/A CYS 64.A SG TYR 142.A OH no hydrogen 3.866 N/A CYS 65.A N LEU 61.A O no hydrogen 3.207 N/A CYS 65.A SG SER 67.A OG.B no hydrogen 3.599 N/A CYS 65.A SG PRO 79.A O no hydrogen 3.915 N/A SER 67.A OG.A GLU 66.A OE1.B no hydrogen 3.317 N/A LEU 70.A N GLY 74.A O no hydrogen 2.696 N/A CYS 72.A N THR 127.A OG1 no hydrogen 2.854 N/A GLU 73.A N LEU 70.A O no hydrogen 2.948 N/A GLY 74.A N GLY 71.A O no hydrogen 3.006 N/A ILE 76.A N CYS 68.A O no hydrogen 2.888 N/A ALA 80.A N LEU 77.A O no hydrogen 2.968 N/A TRP 81.A N LEU 77.A O no hydrogen 3.118 N/A TRP 81.A NE1 GLU 173.A OE1 no hydrogen 2.944 N/A ASP 82.A N GLY 78.A O no hydrogen 2.966 N/A TYR 83.A N PRO 79.A O no hydrogen 2.993 N/A TRP 84.A N ALA 80.A O no hydrogen 3.257 N/A VAL 85.A N TRP 81.A O no hydrogen 3.135 N/A LYS 86.A N ASP 82.A O no hydrogen 2.836 N/A GLU 87.A N TYR 83.A O no hydrogen 2.776 N/A GLY 88.A N TYR 83.A O no hydrogen 2.847 N/A ILE 89.A N HIS 147.A O no hydrogen 2.993 N/A VAL 90.A N ASP 60.A OD2 no hydrogen 3.014 N/A THR 91.A N ASP 145.A OD2 no hydrogen 2.935 N/A THR 91.A OG1 TYR 138.A OH no hydrogen 3.171 N/A THR 91.A OG1 ASP 145.A OD2 no hydrogen 2.522 N/A GLY 92.A N GLU 55.A O no hydrogen 2.877 N/A SER 93.A N ALA 99.A O no hydrogen 2.987 N/A SER 93.A OG SER 94.A O no hydrogen 2.894 N/A SER 93.A OG ALA 99.A O no hydrogen 3.322 N/A GLU 96.A N GLU 96.A OE1 no hydrogen 2.860 N/A ASN 97.A N SER 94.A O no hydrogen 3.312 N/A ASN 97.A N SER 94.A OG no hydrogen 3.165 N/A HIS 98.A N SER 94.A O no hydrogen 3.308 N/A HIS 98.A N LYS 95.A O no hydrogen 3.232 N/A ALA 99.A N SER 93.A OG no hydrogen 2.729 N/A CYS 101.A N THR 91.A OG1 no hydrogen 3.114 N/A GLU 102.A N THR 91.A O no hydrogen 2.912 N/A TYR 104.A N SER 93.A O no hydrogen 2.884 N/A TYR 104.A OH GLN 25.A O no hydrogen 2.654 N/A TYR 104.A OH SER 30.A OG no hydrogen 2.994 N/A LYS 108.A N GLU 96.A OE2 no hydrogen 2.976 N/A LYS 108.A NZ TYR 117.A OH no hydrogen 3.328 N/A LYS 108.A NZ GLU 225.A OE1 no hydrogen 2.870 N/A CYS 109.A N ASP 24.A OD2 no hydrogen 3.075 N/A GLU 110.A N PRO 118.A O no hydrogen 2.685 N/A HIS 111.A NE2 ASP 24.A OD1 no hydrogen 2.624 N/A LYS 116.A NZ GLU 225.A OE2 no hydrogen 2.989 N/A LYS 116.A NZ ASP 226.A OD1 no hydrogen 2.681 N/A LYS 116.A NZ ASP 226.A OD2 no hydrogen 3.286 N/A TYR 117.A N GLU 110.A OE2 no hydrogen 3.137 N/A TYR 117.A OH GLU 225.A OE2 no hydrogen 2.488 N/A CYS 120.A N GLU 110.A O no hydrogen 2.838 N/A TYR 125.A N ARG 27.A O no hydrogen 2.794 N/A THR 127.A OG1 LEU 70.A O no hydrogen 3.567 N/A THR 133.A N GLU 102.A OE2 no hydrogen 3.098 N/A THR 133.A OG1 LYS 131.A O no hydrogen 2.790 N/A CYS 134.A SG THR 140.A O no hydrogen 3.117 N/A GLN 135.A N CYS 101.A O no hydrogen 2.798 N/A GLN 135.A NE2 HIS 98.A O no hydrogen 2.914 N/A GLN 135.A NE2 GLY 100.A O no hydrogen 2.745 N/A LYS 137.A NZ HIS 98.A O no hydrogen 3.106 N/A TYR 138.A N GLN 135.A O no hydrogen 2.861 N/A TYR 138.A OH ASP 145.A OD1 no hydrogen 2.593 N/A TYR 138.A OH ASP 145.A OD2 no hydrogen 3.309 N/A LYS 139.A NZ LYS 136.A O no hydrogen 2.668 N/A TYR 142.A OH ASP 60.A OD1 no hydrogen 2.522 N/A THR 143.A OG1 GLN 144.A OE1 no hydrogen 3.012 N/A GLN 144.A N PRO 141.A O no hydrogen 2.893 N/A ASP 145.A N TYR 142.A O no hydrogen 3.147 N/A LYS 146.A NZ ASP 60.A OD2 no hydrogen 2.747 N/A LYS 146.A NZ TYR 83.A OH no hydrogen 3.056 N/A LYS 146.A NZ GLY 88.A O no hydrogen 2.775 N/A LYS 146.A NZ TYR 142.A OH no hydrogen 3.017 N/A HIS 147.A N ILE 89.A O no hydrogen 2.888 N/A HIS 147.A ND1 GLN 52.A OE1 no hydrogen 2.678 N/A ARG 148.A NE LYS 86.A O no hydrogen 3.230 N/A GLY 149.A N TRP 84.A O no hydrogen 3.012 N/A LYS 150.A N ARG 252.A O no hydrogen 2.708 N/A SER 151.A N ARG 252.A O no hydrogen 3.077 N/A SER 152.A OG ASP 82.A OD1 no hydrogen 3.195 N/A TYR 153.A N ALA 250.A O no hydrogen 2.957 N/A TYR 153.A OH GLU 165.A OE2 no hydrogen 2.620 N/A VAL 155.A N VAL 248.A O no hydrogen 2.861 N/A LYS 160.A NZ VAL 1.A O no hydrogen 3.495 N/A ALA 161.A N ASP 158.A OD2 no hydrogen 3.056 N/A ILE 162.A N ASP 158.A O no hydrogen 2.995 N/A GLN 163.A N GLU 159.A O no hydrogen 2.981 N/A LYS 164.A N LYS 160.A O no hydrogen 2.812 N/A GLU 165.A N ALA 161.A O no hydrogen 2.975 N/A ILE 166.A N ILE 162.A O no hydrogen 2.997 N/A MET 167.A N GLN 163.A O no hydrogen 3.012 N/A LYS 168.A N LYS 164.A O no hydrogen 2.939 N/A LYS 168.A NZ TYR 169.A OH no hydrogen 3.408 N/A TYR 169.A N GLU 165.A O no hydrogen 2.875 N/A GLY 170.A N ILE 166.A O no hydrogen 2.895 N/A VAL 172.A N ILE 205.A O no hydrogen 3.220 N/A GLU 173.A N THR 249.A O no hydrogen 3.057 N/A ALA 174.A N ILE 203.A O no hydrogen 2.951 N/A GLY 175.A N GLU 247.A O no hydrogen 3.004 N/A PHE 176.A N HIS 201.A O no hydrogen 2.847 N/A THR 177.A N CYS 242.A O no hydrogen 2.869 N/A VAL 178.A N GLY 199.A O no hydrogen 3.050 N/A GLU 180.A N GLU 196.A O no hydrogen 2.919 N/A PHE 182.A N TYR 179.A O no hydrogen 2.846 N/A LEU 183.A N GLU 180.A O no hydrogen 2.998 N/A ASN 184.A N ASP 181.A O no hydrogen 2.905 N/A TYR 185.A N PHE 182.A O no hydrogen 3.027 N/A TYR 185.A OH GLY 188.A O no hydrogen 2.579 N/A LYS 186.A NZ THR 113.A OG1 no hydrogen 3.211 N/A GLY 188.A N GLU 229.A OE2 no hydrogen 2.938 N/A TYR 190.A N ARG 234.A O no hydrogen 2.820 N/A TYR 190.A OH ASP 181.A OD1 no hydrogen 2.653 N/A HIS 192.A N GLU 241.A OE2 no hydrogen 2.894 N/A HIS 192.A ND1 ASP 181.A OD1 no hydrogen 3.366 N/A ILE 193.A N ASP 181.A OD2 no hydrogen 2.828 N/A THR 194.A N ASP 181.A OD2 no hydrogen 3.101 N/A GLU 196.A N GLU 180.A OE1 no hydrogen 2.794 N/A LEU 198.A N VAL 178.A O no hydrogen 2.723 N/A GLY 199.A N THR 197.A OG1 no hydrogen 3.086 N/A HIS 201.A N PHE 176.A O no hydrogen 2.933 N/A HIS 201.A NE2 ASN 221.A OD1 no hydrogen 2.747 N/A ALA 202.A N HIS 201.A ND1 no hydrogen 2.935 N/A ILE 203.A N ALA 174.A O no hydrogen 2.918 N/A ARG 204.A N ALA 220.A O no hydrogen 3.446 N/A ARG 204.A NE GLU 38.A OE1 no hydrogen 2.827 N/A ARG 204.A NH1 ILE 19.A O no hydrogen 2.946 N/A ARG 204.A NH1 ASP 42.A OD2 no hydrogen 2.819 N/A ARG 204.A NH2 THR 21.A O no hydrogen 2.802 N/A ARG 204.A NH2 GLU 38.A OE1 no hydrogen 3.322 N/A ILE 205.A N VAL 172.A O no hydrogen 2.909 N/A ILE 206.A N LEU 218.A O no hydrogen 2.960 N/A TRP 208.A N PHE 7.A O no hydrogen 2.938 N/A TRP 208.A NE1 PRO 4.A O no hydrogen 2.851 N/A GLY 209.A N TYR 216.A O no hydrogen 3.105 N/A GLU 211.A N ALA 214.A O no hydrogen 3.123 N/A ALA 214.A N GLU 211.A O no hydrogen 2.935 N/A TYR 216.A N GLY 209.A O no hydrogen 2.861 N/A TRP 217.A N ILE 235.A O no hydrogen 2.884 N/A TRP 217.A NE1 GLU 245.A OE2 no hydrogen 2.786 N/A LEU 218.A N GLY 207.A O no hydrogen 2.941 N/A ILE 219.A N PHE 233.A O no hydrogen 2.934 N/A ALA 220.A N ARG 204.A O no hydrogen 2.944 N/A ASN 221.A N GLY 231.A O no hydrogen 2.987 N/A SER 222.A N ASN 221.A OD1 no hydrogen 2.898 N/A ASN 224.A N ARG 23.A O no hydrogen 2.998 N/A ASN 224.A ND2 ASP 24.A OD2 no hydrogen 2.995 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.688 N/A ASP 226.A N ASN 224.A OD1 no hydrogen 2.815 N/A TRP 227.A N ASN 224.A O no hydrogen 3.383 N/A GLU 229.A N TYR 232.A O no hydrogen 2.790 N/A ASN 230.A N GLY 228.A O no hydrogen 3.154 N/A GLY 231.A N TRP 227.A O no hydrogen 2.793 N/A TYR 232.A N GLU 229.A O no hydrogen 3.071 N/A TYR 232.A OH ALA 20.A O no hydrogen 3.261 N/A PHE 233.A N ILE 219.A O no hydrogen 2.962 N/A ARG 234.A N TYR 185.A OH no hydrogen 3.323 N/A ARG 234.A NE GLU 229.A OE1 no hydrogen 2.850 N/A ARG 234.A NH1 GLU 211.A OE1 no hydrogen 2.862 N/A ARG 234.A NH2 GLU 229.A OE2 no hydrogen 2.835 N/A ILE 235.A N TRP 217.A O no hydrogen 3.250 N/A VAL 236.A N TYR 190.A O no hydrogen 3.064 N/A ARG 237.A N PRO 215.A O no hydrogen 3.140 N/A ARG 237.A NE TYR 216.A O no hydrogen 2.948 N/A ARG 237.A NH1 GLU 159.A OE2 no hydrogen 2.811 N/A ARG 237.A NH2 GLY 209.A O no hydrogen 2.880 N/A GLY 238.A N GLU 245.A OE2 no hydrogen 2.850 N/A ASP 240.A N GLU 245.A OE1 no hydrogen 2.857 N/A CYS 242.A SG GLU 241.A OE2 no hydrogen 3.667 N/A SER 243.A N ASP 240.A O no hydrogen 2.971 N/A ILE 244.A N GLU 241.A O no hydrogen 2.987 N/A GLU 245.A N ASP 240.A OD1 no hydrogen 3.001 N/A SER 246.A N SER 243.A O no hydrogen 3.075 N/A SER 246.A OG ASP 240.A OD1 no hydrogen 2.948 N/A SER 246.A OG ASP 240.A OD2 no hydrogen 2.842 N/A THR 249.A N GLU 173.A O no hydrogen 2.846 N/A THR 249.A OG1 ASN 154.A OD1 no hydrogen 2.758 N/A ALA 250.A N TYR 153.A O no hydrogen 2.998 N/A ARG 252.A N SER 151.A O no hydrogen 2.925 N/A ILE 253.A N GLN 47.A OE1 no hydrogen 2.884 N/A ASN 254.A ND2 GLN 47.A O no hydrogen 3.168 N/A