Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xnn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 5.A OD2 no hydrogen 3.412 N/A SER 1.A OG SER 1.A O no hydrogen 2.621 N/A SER 1.A OG ASP 68.A OD1 no hydrogen 3.405 N/A SER 1.A OG ARG 69.A O no hydrogen 3.483 N/A ARG 2.A N ASP 5.A OD2 no hydrogen 3.035 N/A ASP 5.A N ARG 2.A O no hydrogen 2.764 N/A TYR 6.A N ALA 3.A O no hydrogen 2.919 N/A TYR 6.A OH ASP 68.A OD2 no hydrogen 3.170 N/A GLU 7.A N ARG 22.A O no hydrogen 2.906 N/A LEU 9.A N LYS 20.A O no hydrogen 2.831 N/A TYR 10.A N LYS 20.A O no hydrogen 3.430 N/A ILE 12.A N CYS 18.A O no hydrogen 2.825 N/A GLY 13.A N CYS 18.A O no hydrogen 3.315 N/A ARG 17.A NE GLU 34.A OE1 no hydrogen 2.725 N/A ARG 17.A NH2 GLU 34.A OE1 no hydrogen 3.281 N/A CYS 18.A N GLY 13.A O no hydrogen 2.729 N/A GLN 19.A N TRP 32.A O no hydrogen 2.975 N/A GLN 19.A NE2 THR 11.A OG1 no hydrogen 2.860 N/A LYS 20.A N TYR 10.A O no hydrogen 2.930 N/A LYS 20.A NZ TYR 84.A OH no hydrogen 3.186 N/A ILE 21.A N LEU 30.A O no hydrogen 2.891 N/A ARG 22.A N GLU 7.A O no hydrogen 2.813 N/A ARG 23.A N LYS 28.A O no hydrogen 2.936 N/A ARG 23.A NE ASP 26.A OD1 no hydrogen 2.914 N/A ARG 23.A NH2 ASP 26.A OD2 no hydrogen 2.694 N/A LYS 24.A N ASP 5.A O no hydrogen 2.854 N/A LYS 24.A NZ GLU 4.A O no hydrogen 2.741 N/A GLY 27.A N ARG 23.A O no hydrogen 2.700 N/A LYS 28.A N ASP 26.A OD1 no hydrogen 3.127 N/A LEU 30.A N ILE 21.A O no hydrogen 2.939 N/A VAL 31.A N MET 82.A O no hydrogen 2.951 N/A TRP 32.A N GLN 19.A O no hydrogen 2.942 N/A TRP 32.A NE1 GLN 19.A OE1 no hydrogen 3.000 N/A LYS 33.A N ILE 80.A O no hydrogen 2.808 N/A GLU 34.A N ARG 17.A O no hydrogen 2.729 N/A LEU 35.A N LEU 78.A O no hydrogen 2.715 N/A TYR 37.A N THR 76.A O no hydrogen 3.045 N/A GLY 38.A N ASP 36.A OD1 no hydrogen 2.797 N/A MET 40.A N TYR 37.A O no hydrogen 2.917 N/A THR 41.A N GLU 44.A OE1 no hydrogen 2.987 N/A LYS 45.A N THR 41.A O no hydrogen 2.948 N/A GLN 46.A N GLU 42.A O no hydrogen 2.868 N/A MET 47.A N ALA 43.A O no hydrogen 3.053 N/A LEU 48.A N GLU 44.A O no hydrogen 3.213 N/A VAL 49.A N LYS 45.A O no hydrogen 3.081 N/A VAL 49.A N GLN 46.A O no hydrogen 3.185 N/A SER 50.A N GLN 46.A O no hydrogen 3.207 N/A SER 50.A OG GLN 46.A O no hydrogen 3.506 N/A SER 50.A OG MET 47.A O no hydrogen 2.983 N/A GLU 51.A N MET 47.A O no hydrogen 2.928 N/A VAL 52.A N LEU 48.A O no hydrogen 3.173 N/A ASN 53.A N VAL 49.A O no hydrogen 3.177 N/A LEU 54.A N SER 50.A O no hydrogen 3.292 N/A LEU 54.A N GLU 51.A O no hydrogen 3.236 N/A LEU 55.A N GLU 51.A O no hydrogen 3.226 N/A GLU 57.A N LEU 54.A O no hydrogen 3.327 N/A ASN 62.A N HIS 60.A ND1 no hydrogen 3.071 N/A ASN 62.A ND2 GLN 115.A OE1 no hydrogen 2.837 N/A ASN 62.A ND2 VAL 143.A O no hydrogen 2.777 N/A ILE 63.A N HIS 60.A O no hydrogen 2.985 N/A VAL 64.A N LEU 145.A O no hydrogen 2.817 N/A ARG 65.A N GLU 83.A OE2 no hydrogen 3.013 N/A TYR 67.A N VAL 81.A O no hydrogen 2.828 N/A ASP 68.A N VAL 81.A O no hydrogen 3.403 N/A ARG 69.A N ASP 68.A OD1 no hydrogen 2.613 N/A ILE 70.A N TYR 79.A O no hydrogen 2.953 N/A ASP 72.A N THR 77.A O no hydrogen 2.870 N/A THR 74.A N ASP 72.A OD2 no hydrogen 3.233 N/A ASN 75.A N ASP 72.A OD2 no hydrogen 3.056 N/A THR 76.A OG1 ASP 36.A OD1 no hydrogen 2.930 N/A THR 76.A OG1 ASN 75.A O no hydrogen 2.667 N/A THR 77.A N ASP 72.A O no hydrogen 3.024 N/A THR 77.A OG1 ASN 75.A O no hydrogen 3.358 N/A LEU 78.A N LEU 35.A O no hydrogen 2.586 N/A TYR 79.A N ILE 70.A O no hydrogen 2.871 N/A TYR 79.A OH GLU 34.A OE2 no hydrogen 3.372 N/A ILE 80.A N LYS 33.A O no hydrogen 2.909 N/A VAL 81.A N ASP 68.A O no hydrogen 2.886 N/A MET 82.A N VAL 31.A O no hydrogen 2.705 N/A GLU 83.A N ARG 65.A O no hydrogen 3.000 N/A GLY 87.A N LEU 137.A O no hydrogen 2.846 N/A GLY 88.A N CYS 85.A O no hydrogen 3.095 N/A LEU 90.A N PRO 132.A O no hydrogen 3.069 N/A LEU 90.A N VAL 135.A O no hydrogen 2.895 N/A ALA 91.A N PRO 132.A O no hydrogen 3.224 N/A SER 92.A N ASP 89.A OD2 no hydrogen 3.135 N/A SER 92.A OG ASP 89.A OD1 no hydrogen 2.889 N/A SER 92.A OG ASP 89.A OD2 no hydrogen 3.440 N/A ILE 94.A N LEU 90.A O no hydrogen 2.956 N/A THR 95.A N ALA 91.A O no hydrogen 2.915 N/A THR 95.A OG1 ALA 91.A O no hydrogen 3.163 N/A LYS 96.A N SER 92.A O no hydrogen 2.742 N/A GLY 97.A N VAL 93.A O no hydrogen 3.035 N/A GLY 97.A N ILE 94.A O no hydrogen 3.110 N/A THR 98.A N ILE 94.A O no hydrogen 2.908 N/A THR 98.A OG1 ILE 94.A O no hydrogen 3.131 N/A LYS 99.A N THR 95.A O no hydrogen 3.131 N/A GLU 100.A N LYS 96.A O no hydrogen 3.151 N/A GLN 102.A N GLY 97.A O no hydrogen 3.010 N/A VAL 109.A N ASP 105.A O no hydrogen 3.137 N/A LEU 110.A N GLU 106.A O no hydrogen 2.799 N/A ARG 111.A N GLU 107.A O no hydrogen 3.066 N/A VAL 112.A N PHE 108.A O no hydrogen 2.982 N/A MET 113.A N VAL 109.A O no hydrogen 2.931 N/A THR 114.A N LEU 110.A O no hydrogen 3.035 N/A THR 114.A OG1 LEU 110.A O no hydrogen 2.950 N/A GLN 115.A N ARG 111.A O no hydrogen 3.024 N/A GLN 115.A NE2 HIS 247.A O no hydrogen 2.848 N/A LEU 116.A N VAL 112.A O no hydrogen 2.815 N/A THR 117.A N MET 113.A O no hydrogen 3.036 N/A THR 117.A OG1 MET 113.A O no hydrogen 2.508 N/A LEU 118.A N THR 114.A O no hydrogen 3.114 N/A ALA 119.A N GLN 115.A O no hydrogen 2.933 N/A LEU 120.A N LEU 116.A O no hydrogen 2.822 N/A LYS 121.A N THR 117.A O no hydrogen 3.018 N/A GLU 122.A N LEU 118.A O no hydrogen 3.223 N/A GLU 122.A N ALA 119.A O no hydrogen 3.124 N/A CYS 123.A N ALA 119.A O no hydrogen 3.155 N/A CYS 123.A SG ALA 119.A O no hydrogen 3.552 N/A HIS 124.A N LEU 120.A O no hydrogen 3.003 N/A HIS 124.A NE2 ASP 170.A OD2 no hydrogen 2.634 N/A ARG 125.A N LYS 121.A O no hydrogen 3.159 N/A ARG 126.A N CYS 123.A O no hydrogen 2.997 N/A SER 127.A OG ARG 126.A O no hydrogen 2.729 N/A ASN 134.A N LYS 131.A O no hydrogen 3.069 N/A VAL 135.A N PRO 132.A O no hydrogen 3.220 N/A PHE 136.A N LYS 144.A O no hydrogen 2.756 N/A LEU 137.A N GLY 88.A O no hydrogen 2.860 N/A ASP 138.A N ASN 142.A O no hydrogen 3.082 N/A LYS 140.A N ASP 138.A OD1 no hydrogen 2.892 N/A LYS 140.A NZ HIS 251.A O no hydrogen 2.808 N/A ASN 142.A N ASP 138.A OD1 no hydrogen 2.898 N/A ASN 142.A ND2 ASP 138.A OD2 no hydrogen 2.891 N/A ASN 142.A ND2 HIS 250.A O no hydrogen 2.757 N/A VAL 143.A N GLN 115.A OE1 no hydrogen 2.733 N/A LYS 144.A N PHE 136.A O no hydrogen 2.736 N/A LYS 144.A NZ PRO 61.A O no hydrogen 2.870 N/A LYS 144.A NZ GLU 83.A OE1 no hydrogen 2.656 N/A LYS 144.A NZ GLU 83.A OE2 no hydrogen 3.565 N/A LEU 145.A N ASN 62.A O no hydrogen 2.746 N/A GLY 146.A N ASN 134.A O no hydrogen 3.022 N/A THR 153.A OG1 TYR 155.A OH no hydrogen 3.385 N/A TYR 155.A N THR 153.A O no hydrogen 3.139 N/A TYR 155.A OH THR 153.A OG1 no hydrogen 3.385 N/A TYR 156.A OH GLU 180.A OE1 no hydrogen 2.498 N/A MET 157.A N PRO 154.A O no hydrogen 3.029 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.975 N/A GLN 161.A N SER 158.A OG no hydrogen 3.276 N/A MET 162.A N PRO 159.A O no hydrogen 3.235 N/A ASN 163.A N PRO 159.A O no hydrogen 3.292 N/A ASN 166.A N SER 169.A OG no hydrogen 3.393 N/A LYS 168.A NZ ARG 231.A O no hydrogen 2.825 N/A SER 169.A N ASN 166.A O no hydrogen 2.980 N/A SER 169.A OG GLU 160.A OE2 no hydrogen 2.793 N/A SER 169.A OG ASN 166.A OD1 no hydrogen 3.393 N/A ASP 170.A N GLU 167.A O no hydrogen 3.201 N/A TRP 172.A N LYS 168.A O no hydrogen 3.353 N/A SER 173.A N SER 169.A O no hydrogen 3.232 N/A SER 173.A OG TYR 156.A O no hydrogen 3.257 N/A SER 173.A OG SER 169.A O no hydrogen 3.432 N/A LEU 174.A N ASP 170.A O no hydrogen 2.953 N/A GLY 175.A N ILE 171.A O no hydrogen 2.810 N/A CYS 176.A N TRP 172.A O no hydrogen 2.864 N/A CYS 176.A SG TRP 172.A O no hydrogen 3.671 N/A LEU 177.A N SER 173.A O no hydrogen 2.990 N/A LEU 178.A N LEU 174.A O no hydrogen 2.897 N/A TYR 179.A N GLY 175.A O no hydrogen 2.923 N/A TYR 179.A OH ARG 206.A O no hydrogen 2.591 N/A GLU 180.A N CYS 176.A O no hydrogen 2.989 N/A LEU 181.A N LEU 177.A O no hydrogen 3.068 N/A CYS 182.A N LEU 178.A O no hydrogen 3.020 N/A CYS 182.A SG LEU 178.A O no hydrogen 3.503 N/A ALA 183.A N TYR 179.A O no hydrogen 2.798 N/A LEU 184.A N GLU 180.A O no hydrogen 2.773 N/A PHE 191.A N GLU 195.A OE1 no hydrogen 2.831 N/A GLU 195.A N SER 192.A OG no hydrogen 3.050 N/A LEU 196.A N SER 192.A O no hydrogen 3.145 N/A ALA 197.A N GLN 193.A O no hydrogen 2.848 N/A GLY 198.A N LYS 194.A O no hydrogen 2.997 N/A LYS 199.A N GLU 195.A O no hydrogen 3.024 N/A LYS 199.A NZ THR 189.A O no hydrogen 2.849 N/A ILE 200.A N LEU 196.A O no hydrogen 2.948 N/A ARG 201.A N ALA 197.A O no hydrogen 3.198 N/A GLU 202.A N GLY 198.A O no hydrogen 3.362 N/A GLU 202.A N LYS 199.A O no hydrogen 3.219 N/A GLY 203.A N LYS 199.A O no hydrogen 3.133 N/A ARG 207.A NH1 ILE 208.A O no hydrogen 2.807 N/A ARG 207.A NH1 TYR 212.A O no hydrogen 3.210 N/A ARG 207.A NH2 TYR 212.A O no hydrogen 2.873 N/A ARG 207.A NH2 ASP 214.A OD1 no hydrogen 2.850 N/A TYR 212.A N PRO 209.A O no hydrogen 3.022 N/A TYR 212.A OH LEU 104.A O no hydrogen 2.519 N/A SER 213.A N GLU 106.A OE1 no hydrogen 2.951 N/A SER 213.A OG GLU 106.A OE2 no hydrogen 2.656 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.658 N/A LEU 216.A N SER 213.A OG no hydrogen 3.070 N/A ASN 217.A N SER 213.A O no hydrogen 3.006 N/A GLU 218.A N ASP 214.A O no hydrogen 2.739 N/A ILE 219.A N GLU 215.A O no hydrogen 3.201 N/A ILE 220.A N LEU 216.A O no hydrogen 3.215 N/A THR 221.A N ASN 217.A O no hydrogen 2.885 N/A THR 221.A OG1 ASN 217.A O no hydrogen 2.808 N/A ARG 222.A N GLU 218.A O no hydrogen 2.880 N/A MET 223.A N ILE 219.A O no hydrogen 3.152 N/A LEU 224.A N THR 221.A O no hydrogen 3.029 N/A ASN 225.A N ARG 222.A O no hydrogen 3.168 N/A LYS 227.A N ASN 225.A OD1 no hydrogen 3.116 N/A HIS 230.A N LYS 227.A O no hydrogen 2.862 N/A ARG 231.A N ASP 228.A O no hydrogen 3.151 N/A ARG 231.A NE ASN 225.A O no hydrogen 2.771 N/A ARG 231.A NH1 GLU 160.A OE1 no hydrogen 3.545 N/A ARG 231.A NH1 GLU 160.A OE2 no hydrogen 2.473 N/A ARG 231.A NH1 LYS 168.A O no hydrogen 2.744 N/A ARG 231.A NH2 GLU 160.A OE1 no hydrogen 2.945 N/A ARG 231.A NH2 ASN 225.A O no hydrogen 3.183 N/A SER 233.A N GLU 236.A OE2 no hydrogen 3.267 N/A SER 233.A OG GLU 235.A OE2 no hydrogen 3.526 N/A GLU 235.A N GLU 235.A OE2 no hydrogen 2.736 N/A GLU 236.A N SER 233.A OG no hydrogen 3.088 N/A ILE 237.A N SER 233.A O no hydrogen 2.879 N/A LEU 238.A N VAL 234.A O no hydrogen 3.230 N/A GLU 239.A N GLU 235.A O no hydrogen 3.243 N/A ASN 240.A N ILE 237.A O no hydrogen 3.145 N/A LEU 242.A N ASN 240.A OD1 no hydrogen 2.789 N/A ILE 243.A N ASN 240.A O no hydrogen 2.862 N/A LEU 244.A N HIS 247.A ND1 no hydrogen 2.893 N/A HIS 246.A NE2 GLU 107.A OE2 no hydrogen 2.716 N/A HIS 247.A N LEU 244.A O no hydrogen 2.874 N/A HIS 247.A NE2 GLU 107.A OE1 no hydrogen 3.028 N/A HIS 248.A N GLU 245.A O no hydrogen 2.961 N/A HIS 248.A ND1 LEU 244.A O no hydrogen 3.249 N/A HIS 250.A N ASN 142.A OD1 no hydrogen 2.916 N/A HIS 250.A NE2 GLU 245.A OE1 no hydrogen 2.830 N/A HIS 250.A NE2 GLU 245.A OE2 no hydrogen 3.121 N/A