Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xk8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 5.A OD2 no hydrogen 3.152 N/A SER 1.A OG ASP 66.A OD1 no hydrogen 3.386 N/A ARG 2.A N ASP 5.A OD2 no hydrogen 3.257 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 3.060 N/A ASP 5.A N ARG 2.A O no hydrogen 2.935 N/A TYR 6.A N ALA 3.A O no hydrogen 2.917 N/A GLU 7.A N ARG 20.A O no hydrogen 2.933 N/A LEU 9.A N LYS 18.A O no hydrogen 2.862 N/A ILE 12.A N CYS 16.A O no hydrogen 2.824 N/A GLY 13.A N CYS 16.A O no hydrogen 3.313 N/A ARG 15.A NE GLU 32.A OE1 no hydrogen 2.918 N/A ARG 15.A NH2 GLU 32.A OE1 no hydrogen 3.091 N/A ARG 15.A NH2 GLU 32.A OE2 no hydrogen 3.089 N/A CYS 16.A N GLY 13.A O no hydrogen 2.934 N/A GLN 17.A N TRP 30.A O no hydrogen 2.878 N/A GLN 17.A NE2 THR 11.A OG1 no hydrogen 3.045 N/A LYS 18.A N TYR 10.A O no hydrogen 2.918 N/A LYS 18.A NZ TYR 82.A OH no hydrogen 3.270 N/A ILE 19.A N LEU 28.A O no hydrogen 2.920 N/A ARG 20.A N GLU 7.A O no hydrogen 2.918 N/A ARG 21.A N LYS 26.A O no hydrogen 2.856 N/A ARG 21.A NE ASP 24.A OD1 no hydrogen 2.950 N/A ARG 21.A NH2 ASP 24.A OD2 no hydrogen 2.890 N/A LYS 22.A N ASP 5.A O no hydrogen 3.006 N/A LYS 22.A NZ GLU 4.A O no hydrogen 3.017 N/A GLY 25.A N ARG 21.A O no hydrogen 2.728 N/A LYS 26.A N ASP 24.A OD1 no hydrogen 3.128 N/A LEU 28.A N ILE 19.A O no hydrogen 2.954 N/A VAL 29.A N MET 80.A O no hydrogen 2.940 N/A TRP 30.A N GLN 17.A O no hydrogen 2.909 N/A TRP 30.A NE1 GLN 17.A OE1 no hydrogen 2.909 N/A LYS 31.A N ILE 78.A O no hydrogen 2.932 N/A LYS 31.A NZ ASP 145.A O no hydrogen 3.490 N/A GLU 32.A N ARG 15.A O no hydrogen 2.660 N/A LEU 33.A N LEU 76.A O no hydrogen 2.795 N/A TYR 35.A N THR 74.A O no hydrogen 3.088 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 2.673 N/A MET 38.A N TYR 35.A O no hydrogen 3.022 N/A GLU 42.A N THR 39.A OG1 no hydrogen 3.179 N/A LYS 43.A N THR 39.A O no hydrogen 2.966 N/A GLN 44.A N GLU 40.A O no hydrogen 2.953 N/A MET 45.A N ALA 41.A O no hydrogen 3.100 N/A LEU 46.A N GLU 42.A O no hydrogen 2.926 N/A VAL 47.A N LYS 43.A O no hydrogen 2.901 N/A SER 48.A N GLN 44.A O no hydrogen 3.089 N/A SER 48.A OG GLN 44.A O no hydrogen 3.009 N/A SER 48.A OG MET 45.A O no hydrogen 2.996 N/A GLU 49.A N MET 45.A O no hydrogen 3.131 N/A VAL 50.A N LEU 46.A O no hydrogen 2.986 N/A ASN 51.A N VAL 47.A O no hydrogen 2.983 N/A LEU 52.A N SER 48.A O no hydrogen 3.127 N/A LEU 53.A N GLU 49.A O no hydrogen 3.134 N/A ARG 54.A N VAL 50.A O no hydrogen 3.199 N/A GLU 55.A N LEU 52.A O no hydrogen 3.352 N/A LEU 56.A N LEU 53.A O no hydrogen 3.161 N/A ASN 60.A N HIS 58.A ND1 no hydrogen 2.967 N/A ASN 60.A ND2 VAL 141.A O no hydrogen 2.936 N/A ILE 61.A N HIS 58.A O no hydrogen 3.131 N/A VAL 62.A N LEU 143.A O no hydrogen 2.975 N/A ARG 63.A N GLU 81.A OE2 no hydrogen 2.931 N/A ARG 63.A NH2 ARG 54.A O no hydrogen 3.515 N/A TYR 65.A N VAL 79.A O no hydrogen 2.764 N/A ASP 66.A N VAL 79.A O no hydrogen 3.425 N/A ARG 67.A N ASP 66.A OD1 no hydrogen 2.782 N/A ILE 68.A N TYR 77.A O no hydrogen 2.795 N/A ASP 70.A N THR 75.A O no hydrogen 2.958 N/A ASN 73.A N ASP 70.A O no hydrogen 3.176 N/A ASN 73.A N ASP 70.A OD2 no hydrogen 3.251 N/A THR 74.A N ARG 71.A O no hydrogen 3.457 N/A THR 74.A OG1 ASP 34.A OD1 no hydrogen 3.189 N/A THR 74.A OG1 ASN 73.A O no hydrogen 2.609 N/A THR 75.A N ASP 70.A O no hydrogen 3.219 N/A THR 75.A OG1 ASN 73.A O no hydrogen 3.101 N/A LEU 76.A N LEU 33.A O no hydrogen 2.796 N/A TYR 77.A N ILE 68.A O no hydrogen 2.805 N/A TYR 77.A OH GLU 32.A OE2 no hydrogen 3.389 N/A ILE 78.A N LYS 31.A O no hydrogen 3.022 N/A VAL 79.A N ASP 66.A O no hydrogen 2.874 N/A MET 80.A N VAL 29.A O no hydrogen 2.770 N/A GLU 81.A N ARG 63.A O no hydrogen 2.908 N/A GLY 85.A N LEU 135.A O no hydrogen 2.772 N/A GLY 86.A N CYS 83.A O no hydrogen 3.038 N/A LEU 88.A N PRO 130.A O no hydrogen 3.220 N/A LEU 88.A N VAL 133.A O no hydrogen 2.864 N/A ALA 89.A N PRO 130.A O no hydrogen 3.321 N/A SER 90.A N ASP 87.A OD1 no hydrogen 3.117 N/A SER 90.A OG ASP 87.A OD1 no hydrogen 2.697 N/A VAL 91.A N ASP 87.A O no hydrogen 3.466 N/A ILE 92.A N LEU 88.A O no hydrogen 3.001 N/A THR 93.A N ALA 89.A O no hydrogen 2.961 N/A THR 93.A OG1 ALA 89.A O no hydrogen 3.274 N/A LYS 94.A N SER 90.A O no hydrogen 2.835 N/A GLY 95.A N VAL 91.A O no hydrogen 2.966 N/A THR 96.A N ILE 92.A O no hydrogen 3.117 N/A THR 96.A OG1 ILE 92.A O no hydrogen 3.259 N/A LYS 97.A N THR 93.A O no hydrogen 3.019 N/A GLU 98.A N LYS 94.A O no hydrogen 3.052 N/A ARG 99.A N THR 96.A O no hydrogen 3.033 N/A GLN 100.A N GLY 95.A O no hydrogen 2.877 N/A GLN 100.A NE2 TYR 101.A O no hydrogen 3.318 N/A VAL 107.A N ASP 103.A O no hydrogen 3.193 N/A LEU 108.A N GLU 104.A O no hydrogen 2.897 N/A ARG 109.A N GLU 105.A O no hydrogen 3.059 N/A VAL 110.A N PHE 106.A O no hydrogen 3.025 N/A MET 111.A N VAL 107.A O no hydrogen 2.870 N/A THR 112.A N LEU 108.A O no hydrogen 2.915 N/A THR 112.A OG1 LEU 108.A O no hydrogen 2.852 N/A GLN 113.A N ARG 109.A O no hydrogen 2.963 N/A GLN 113.A NE2 GLN 139.A O no hydrogen 3.532 N/A GLN 113.A NE2 HIS 242.A O no hydrogen 2.965 N/A LEU 114.A N VAL 110.A O no hydrogen 2.899 N/A THR 115.A N MET 111.A O no hydrogen 3.045 N/A THR 115.A OG1 MET 111.A O no hydrogen 2.595 N/A LEU 116.A N THR 112.A O no hydrogen 3.124 N/A ALA 117.A N GLN 113.A O no hydrogen 2.939 N/A LEU 118.A N LEU 114.A O no hydrogen 2.856 N/A LYS 119.A N THR 115.A O no hydrogen 2.864 N/A GLU 120.A N LEU 116.A O no hydrogen 3.031 N/A CYS 121.A N ALA 117.A O no hydrogen 2.999 N/A CYS 121.A SG ALA 117.A O no hydrogen 3.454 N/A HIS 122.A N LEU 118.A O no hydrogen 2.874 N/A HIS 122.A NE2 ASP 165.A OD2 no hydrogen 2.679 N/A ARG 123.A N LYS 119.A O no hydrogen 3.043 N/A ARG 123.A NE GLU 120.A OE1 no hydrogen 2.991 N/A ARG 123.A NH2 GLU 120.A OE1 no hydrogen 3.456 N/A ARG 123.A NH2 GLU 120.A OE2 no hydrogen 2.781 N/A ARG 124.A N GLU 120.A O no hydrogen 3.038 N/A SER 125.A N HIS 122.A O no hydrogen 2.946 N/A SER 125.A OG CYS 121.A O no hydrogen 3.351 N/A ARG 126.A NE GLY 144.A O no hydrogen 2.866 N/A ASN 132.A N LYS 129.A O no hydrogen 2.902 N/A VAL 133.A N PRO 130.A O no hydrogen 3.181 N/A PHE 134.A N LYS 142.A O no hydrogen 2.738 N/A LEU 135.A N GLY 86.A O no hydrogen 2.959 N/A ASP 136.A N ASN 140.A O no hydrogen 3.114 N/A LYS 138.A N ASP 136.A OD1 no hydrogen 2.822 N/A LYS 138.A NZ HIS 246.A O no hydrogen 2.797 N/A ASN 140.A N ASP 136.A OD1 no hydrogen 2.887 N/A ASN 140.A ND2 ASP 136.A OD2 no hydrogen 2.720 N/A ASN 140.A ND2 HIS 245.A O no hydrogen 3.005 N/A VAL 141.A N GLN 113.A OE1 no hydrogen 2.742 N/A LYS 142.A N PHE 134.A O no hydrogen 2.702 N/A LYS 142.A NZ PRO 59.A O no hydrogen 3.107 N/A LYS 142.A NZ GLU 81.A OE1 no hydrogen 2.569 N/A LYS 142.A NZ GLU 81.A OE2 no hydrogen 3.399 N/A LEU 143.A N ASN 60.A O no hydrogen 2.815 N/A GLY 144.A N ASN 132.A O no hydrogen 2.889 N/A TYR 152.A N THR 150.A O no hydrogen 2.834 N/A TYR 153.A OH GLU 175.A OE1 no hydrogen 2.571 N/A MET 154.A N PRO 151.A O no hydrogen 3.215 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 2.823 N/A GLN 158.A N SER 155.A OG no hydrogen 3.149 N/A MET 159.A N SER 155.A O no hydrogen 3.054 N/A MET 159.A N PRO 156.A O no hydrogen 3.146 N/A ASN 160.A N GLU 157.A O no hydrogen 2.860 N/A ASN 161.A ND2 ASP 223.A OD1 no hydrogen 2.654 N/A LYS 163.A N ASN 161.A OD1 no hydrogen 2.934 N/A LYS 163.A NZ ASP 223.A O no hydrogen 3.395 N/A LYS 163.A NZ ARG 226.A O no hydrogen 2.766 N/A SER 164.A N ASN 161.A O no hydrogen 3.068 N/A SER 164.A OG GLU 157.A OE2 no hydrogen 2.957 N/A SER 164.A OG ASN 161.A O no hydrogen 3.201 N/A ASP 165.A N GLU 162.A O no hydrogen 3.139 N/A TRP 167.A N LYS 163.A O no hydrogen 3.164 N/A SER 168.A N SER 164.A O no hydrogen 3.186 N/A SER 168.A OG TYR 153.A O no hydrogen 3.308 N/A SER 168.A OG SER 164.A O no hydrogen 3.312 N/A LEU 169.A N ASP 165.A O no hydrogen 2.894 N/A GLY 170.A N ILE 166.A O no hydrogen 2.827 N/A CYS 171.A N TRP 167.A O no hydrogen 2.918 N/A CYS 171.A SG TRP 167.A O no hydrogen 3.648 N/A LEU 172.A N SER 168.A O no hydrogen 2.995 N/A LEU 173.A N LEU 169.A O no hydrogen 2.874 N/A TYR 174.A N GLY 170.A O no hydrogen 2.854 N/A TYR 174.A OH ARG 201.A O no hydrogen 2.606 N/A GLU 175.A N CYS 171.A O no hydrogen 2.889 N/A LEU 176.A N LEU 172.A O no hydrogen 2.961 N/A CYS 177.A N LEU 173.A O no hydrogen 3.162 N/A CYS 177.A SG LEU 173.A O no hydrogen 3.508 N/A ALA 178.A N TYR 174.A O no hydrogen 2.845 N/A LEU 179.A N GLU 175.A O no hydrogen 2.719 N/A PHE 186.A N GLU 190.A OE1 no hydrogen 2.835 N/A GLU 190.A N SER 187.A OG no hydrogen 3.171 N/A LEU 191.A N SER 187.A O no hydrogen 2.881 N/A ALA 192.A N GLN 188.A O no hydrogen 2.817 N/A GLY 193.A N LYS 189.A O no hydrogen 3.061 N/A LYS 194.A N GLU 190.A O no hydrogen 3.064 N/A LYS 194.A NZ THR 184.A O no hydrogen 2.890 N/A ILE 195.A N LEU 191.A O no hydrogen 2.923 N/A ARG 196.A N ALA 192.A O no hydrogen 3.053 N/A GLU 197.A N GLY 193.A O no hydrogen 3.366 N/A GLY 198.A N LYS 194.A O no hydrogen 3.133 N/A ARG 202.A NH1 ILE 203.A O no hydrogen 2.853 N/A ARG 202.A NH1 TYR 207.A O no hydrogen 3.364 N/A ARG 202.A NH2 TYR 207.A O no hydrogen 2.995 N/A ARG 202.A NH2 ASP 209.A OD1 no hydrogen 2.845 N/A TYR 207.A N PRO 204.A O no hydrogen 3.003 N/A TYR 207.A OH LEU 102.A O no hydrogen 2.585 N/A SER 208.A N GLU 104.A OE1 no hydrogen 2.919 N/A SER 208.A OG GLU 104.A OE2 no hydrogen 2.751 N/A GLU 210.A N GLU 210.A OE1 no hydrogen 2.713 N/A LEU 211.A N SER 208.A OG no hydrogen 2.989 N/A ASN 212.A N SER 208.A O no hydrogen 2.959 N/A GLU 213.A N ASP 209.A O no hydrogen 2.799 N/A ILE 214.A N GLU 210.A O no hydrogen 3.216 N/A ILE 215.A N LEU 211.A O no hydrogen 3.184 N/A THR 216.A N ASN 212.A O no hydrogen 2.947 N/A THR 216.A OG1 ASN 212.A O no hydrogen 2.807 N/A ARG 217.A N GLU 213.A O no hydrogen 2.959 N/A MET 218.A N ILE 214.A O no hydrogen 3.004 N/A LEU 219.A N ILE 215.A O no hydrogen 3.156 N/A LEU 219.A N THR 216.A O no hydrogen 3.097 N/A ASN 220.A N ARG 217.A O no hydrogen 3.166 N/A LYS 222.A N ASN 220.A OD1 no hydrogen 3.018 N/A HIS 225.A N LYS 222.A O no hydrogen 2.977 N/A ARG 226.A N ASP 223.A O no hydrogen 3.090 N/A ARG 226.A NE ASN 220.A O no hydrogen 2.837 N/A ARG 226.A NH1 GLU 157.A OE1 no hydrogen 3.479 N/A ARG 226.A NH1 GLU 157.A OE2 no hydrogen 2.605 N/A ARG 226.A NH1 LYS 163.A O no hydrogen 2.916 N/A ARG 226.A NH2 GLU 157.A OE1 no hydrogen 2.805 N/A ARG 226.A NH2 GLU 157.A OE2 no hydrogen 3.525 N/A ARG 226.A NH2 ASN 220.A O no hydrogen 3.262 N/A SER 228.A N GLU 231.A OE2 no hydrogen 2.898 N/A GLU 230.A N GLU 230.A OE2 no hydrogen 2.744 N/A GLU 231.A N SER 228.A OG no hydrogen 2.933 N/A ILE 232.A N SER 228.A O no hydrogen 2.870 N/A LEU 233.A N VAL 229.A O no hydrogen 3.087 N/A GLU 234.A N GLU 230.A O no hydrogen 3.141 N/A ASN 235.A N ILE 232.A O no hydrogen 2.935 N/A LEU 237.A N ASN 235.A OD1 no hydrogen 2.861 N/A ILE 238.A N ASN 235.A O no hydrogen 2.924 N/A LEU 239.A N HIS 242.A ND1 no hydrogen 3.157 N/A HIS 241.A NE2 GLU 105.A OE2 no hydrogen 2.698 N/A HIS 242.A N LEU 239.A O no hydrogen 3.034 N/A HIS 242.A NE2 GLU 105.A OE1 no hydrogen 2.887 N/A HIS 243.A N GLU 240.A O no hydrogen 2.949 N/A HIS 243.A ND1 LEU 239.A O no hydrogen 2.911 N/A HIS 245.A N ASN 140.A OD1 no hydrogen 2.974 N/A HIS 245.A NE2 GLU 240.A OE2 no hydrogen 2.890 N/A