Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3g9e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N GLU 1.A O no hydrogen 3.105 N/A LEU 5.A N GLU 1.A O no hydrogen 3.371 N/A ARG 6.A N SER 2.A O no hydrogen 3.006 N/A ARG 6.A NH1 GLN 201.A OE1 no hydrogen 2.854 N/A ARG 6.A NH2 GLN 201.A OE1 no hydrogen 2.837 N/A ALA 7.A N ALA 3.A O no hydrogen 2.994 N/A LEU 8.A N ASP 4.A O no hydrogen 2.811 N/A ALA 9.A N LEU 5.A O no hydrogen 2.954 N/A LYS 10.A N ARG 6.A O no hydrogen 2.916 N/A LYS 10.A NZ ASP 14.A OD1 no hydrogen 3.307 N/A LYS 10.A NZ ASP 14.A OD2 no hydrogen 3.499 N/A HIS 11.A N ALA 7.A O no hydrogen 2.874 N/A HIS 11.A NE2 SER 83.A O no hydrogen 2.692 N/A LEU 12.A N LEU 8.A O no hydrogen 2.898 N/A TYR 13.A N ALA 9.A O no hydrogen 2.940 N/A ASP 14.A N LYS 10.A O no hydrogen 2.866 N/A SER 15.A N HIS 11.A O no hydrogen 2.971 N/A SER 15.A OG HIS 11.A O no hydrogen 2.702 N/A TYR 16.A N LEU 12.A O no hydrogen 2.869 N/A TYR 16.A OH ASP 162.A OD1 no hydrogen 2.607 N/A ILE 17.A N TYR 13.A O no hydrogen 3.036 N/A LYS 18.A N ASP 14.A O no hydrogen 3.132 N/A SER 19.A N SER 15.A O no hydrogen 3.054 N/A SER 19.A N TYR 16.A O no hydrogen 3.108 N/A SER 19.A OG SER 15.A O no hydrogen 2.890 N/A PHE 20.A N TYR 16.A O no hydrogen 2.939 N/A LYS 24.A N ASP 162.A OD1 no hydrogen 2.906 N/A LYS 24.A NZ LEU 160.A O no hydrogen 2.506 N/A ALA 25.A N ASP 162.A OD2 no hydrogen 3.030 N/A LYS 26.A N THR 23.A OG1 no hydrogen 3.323 N/A LYS 26.A NZ THR 35.A OG1 no hydrogen 3.189 N/A ALA 27.A N THR 23.A O no hydrogen 2.941 N/A ARG 28.A N LYS 24.A O no hydrogen 2.827 N/A ARG 28.A NH1 ALA 112.A O no hydrogen 3.514 N/A ARG 28.A NH1 SER 113.A O no hydrogen 2.711 N/A ARG 28.A NH1 MET 115.A O no hydrogen 2.859 N/A ARG 28.A NH2 MET 115.A O no hydrogen 3.038 N/A ALA 29.A N ALA 25.A O no hydrogen 3.078 N/A ILE 30.A N LYS 26.A O no hydrogen 3.048 N/A LEU 31.A N ALA 27.A O no hydrogen 2.812 N/A THR 32.A N ARG 28.A O no hydrogen 2.925 N/A THR 32.A OG1 ARG 28.A O no hydrogen 2.736 N/A THR 32.A OG1 ALA 29.A O no hydrogen 3.490 N/A GLY 33.A N ILE 30.A O no hydrogen 3.099 N/A LYS 34.A N ALA 29.A O no hydrogen 2.808 N/A PHE 41.A N GLN 126.A O no hydrogen 3.034 N/A ILE 43.A N PHE 128.A O no hydrogen 2.742 N/A ASN 47.A N ASP 45.A OD2 no hydrogen 2.598 N/A SER 48.A N ASP 45.A OD1 no hydrogen 2.578 N/A SER 48.A OG ASP 45.A OD1 no hydrogen 2.574 N/A LEU 49.A N ASP 45.A O no hydrogen 2.988 N/A MET 50.A N MET 46.A O no hydrogen 2.961 N/A MET 51.A N ASN 47.A O no hydrogen 2.888 N/A GLY 52.A N SER 48.A O no hydrogen 3.000 N/A GLU 53.A N LEU 49.A O no hydrogen 3.344 N/A GLU 53.A N MET 50.A O no hydrogen 3.194 N/A ASP 54.A N MET 51.A O no hydrogen 3.292 N/A LYS 56.A NZ ASP 243.A OD2 no hydrogen 3.168 N/A ARG 61.A N GLU 57.A O no hydrogen 3.116 N/A ARG 61.A NH1 LYS 56.A O no hydrogen 2.941 N/A ARG 61.A NH2 GLU 53.A OE2 no hydrogen 3.407 N/A ILE 62.A N VAL 58.A O no hydrogen 3.082 N/A PHE 63.A N ALA 59.A O no hydrogen 2.932 N/A GLN 64.A N ILE 60.A O no hydrogen 2.912 N/A GLY 65.A N ARG 61.A O no hydrogen 3.047 N/A CYS 66.A N ILE 62.A O no hydrogen 2.959 N/A CYS 66.A SG ILE 62.A O no hydrogen 3.420 N/A GLN 67.A N PHE 63.A O no hydrogen 3.106 N/A PHE 68.A N GLN 64.A O no hydrogen 2.999 N/A ARG 69.A N GLY 65.A O no hydrogen 3.049 N/A ARG 69.A NH2 GLU 76.A OE1 no hydrogen 3.452 N/A SER 70.A N CYS 66.A O no hydrogen 2.863 N/A VAL 71.A N GLN 67.A O no hydrogen 2.790 N/A GLU 72.A N PHE 68.A O no hydrogen 3.025 N/A ALA 73.A N ARG 69.A O no hydrogen 2.882 N/A VAL 74.A N SER 70.A O no hydrogen 2.954 N/A GLN 75.A N VAL 71.A O no hydrogen 3.432 N/A GLU 76.A N GLU 72.A O no hydrogen 3.122 N/A ILE 77.A N ALA 73.A O no hydrogen 2.834 N/A THR 78.A N VAL 74.A O no hydrogen 2.850 N/A THR 78.A OG1 VAL 74.A O no hydrogen 2.758 N/A GLU 79.A N GLN 75.A O no hydrogen 3.174 N/A TYR 80.A N GLU 76.A O no hydrogen 3.042 N/A TYR 80.A OH ALA 166.A O no hydrogen 2.529 N/A ALA 81.A N ILE 77.A O no hydrogen 2.931 N/A LYS 82.A N THR 78.A O no hydrogen 3.126 N/A LYS 82.A NZ GLU 79.A OE1 no hydrogen 3.201 N/A SER 83.A N TYR 80.A O no hydrogen 2.944 N/A ILE 84.A N ALA 81.A O no hydrogen 3.112 N/A PHE 87.A N ILE 84.A O no hydrogen 2.958 N/A ASN 89.A N GLY 86.A O no hydrogen 3.240 N/A LEU 90.A N PHE 87.A O no hydrogen 3.017 N/A ASN 93.A N ASP 91.A OD2 no hydrogen 2.712 N/A ASN 93.A ND2 ASP 91.A OD2 no hydrogen 3.135 N/A GLN 95.A N ASP 91.A O no hydrogen 3.004 N/A GLN 95.A NE2 LEU 90.A O no hydrogen 2.830 N/A VAL 96.A N LEU 92.A O no hydrogen 3.084 N/A THR 97.A N ASN 93.A O no hydrogen 2.904 N/A THR 97.A OG1 ASN 93.A O no hydrogen 3.042 N/A LEU 98.A N ASP 94.A O no hydrogen 2.738 N/A LEU 99.A N GLN 95.A O no hydrogen 3.011 N/A LYS 100.A N VAL 96.A O no hydrogen 2.758 N/A LYS 100.A NZ ILE 253.A O no hydrogen 2.928 N/A LYS 100.A NZ LYS 255.A O no hydrogen 2.731 N/A TYR 101.A N THR 97.A O no hydrogen 3.153 N/A GLY 102.A N LEU 98.A O no hydrogen 2.909 N/A VAL 103.A N LEU 99.A O no hydrogen 3.007 N/A ILE 106.A N GLY 102.A O no hydrogen 3.204 N/A ILE 107.A N VAL 103.A O no hydrogen 2.910 N/A TYR 108.A N HIS 104.A O no hydrogen 2.922 N/A THR 109.A N GLU 105.A O no hydrogen 3.090 N/A THR 109.A OG1 GLU 105.A O no hydrogen 2.651 N/A MET 110.A N ILE 106.A O no hydrogen 2.768 N/A LEU 111.A N ILE 107.A O no hydrogen 2.711 N/A ALA 112.A N TYR 108.A O no hydrogen 3.171 N/A ALA 112.A N THR 109.A O no hydrogen 3.321 N/A SER 113.A N MET 110.A O no hydrogen 2.909 N/A LEU 114.A N LEU 111.A O no hydrogen 3.121 N/A MET 115.A N ALA 112.A O no hydrogen 3.068 N/A ASN 116.A N GLY 119.A O no hydrogen 3.124 N/A LYS 117.A NZ ASP 118.A OD1 no hydrogen 3.077 N/A LYS 117.A NZ ASP 118.A OD2 no hydrogen 3.417 N/A ASP 118.A N ASN 116.A OD1 no hydrogen 2.877 N/A GLY 119.A N ASN 116.A O no hydrogen 3.428 N/A VAL 120.A N MET 129.A O no hydrogen 3.038 N/A LEU 121.A N LEU 114.A O no hydrogen 2.867 N/A ILE 122.A N GLY 127.A O no hydrogen 3.020 N/A SER 123.A OG ILE 122.A O no hydrogen 2.998 N/A SER 123.A OG SER 123.A O no hydrogen 2.484 N/A GLN 126.A N SER 123.A O no hydrogen 3.075 N/A GLY 127.A N ILE 122.A O no hydrogen 3.261 N/A PHE 128.A N PHE 41.A O no hydrogen 2.827 N/A MET 129.A N VAL 120.A O no hydrogen 2.993 N/A THR 130.A N ILE 43.A O no hydrogen 3.004 N/A ARG 131.A N ASP 118.A O no hydrogen 2.858 N/A ARG 131.A NE GLU 146.A OE1 no hydrogen 3.332 N/A ARG 131.A NE GLU 146.A OE2 no hydrogen 3.287 N/A ARG 131.A NH1 LYS 117.A O no hydrogen 2.869 N/A ARG 131.A NH2 GLU 146.A OE2 no hydrogen 2.915 N/A PHE 133.A N THR 130.A OG1 no hydrogen 3.130 N/A LEU 134.A N THR 130.A O no hydrogen 3.206 N/A LYS 135.A N ARG 131.A O no hydrogen 3.095 N/A LYS 135.A N GLU 132.A O no hydrogen 3.263 N/A SER 136.A N PHE 133.A O no hydrogen 3.016 N/A SER 136.A OG PHE 133.A O no hydrogen 2.800 N/A ARG 138.A NE LYS 139.A O no hydrogen 3.281 N/A ARG 138.A NH1 GLU 241.A OE2 no hydrogen 2.742 N/A ARG 138.A NH2 GLU 57.A OE2 no hydrogen 2.640 N/A PHE 141.A N ARG 138.A O no hydrogen 3.002 N/A PHE 144.A N PHE 141.A O no hydrogen 3.074 N/A MET 145.A N GLY 142.A O no hydrogen 3.317 N/A LYS 148.A N MET 145.A O no hydrogen 2.855 N/A LYS 148.A NZ PHE 144.A O no hydrogen 2.965 N/A LYS 148.A NZ HIS 230.A ND1 no hydrogen 2.733 N/A PHE 149.A N MET 145.A O no hydrogen 3.205 N/A GLU 150.A N GLU 146.A O no hydrogen 2.944 N/A PHE 151.A N PRO 147.A O no hydrogen 3.263 N/A ALA 152.A N LYS 148.A O no hydrogen 2.917 N/A VAL 153.A N PHE 149.A O no hydrogen 2.824 N/A LYS 154.A NZ ASP 222.A OD2 no hydrogen 2.518 N/A PHE 155.A N PHE 151.A O no hydrogen 2.640 N/A ASN 156.A N ALA 152.A O no hydrogen 2.766 N/A ASN 156.A ND2 ALA 112.A O no hydrogen 3.025 N/A ALA 157.A N VAL 153.A O no hydrogen 3.222 N/A ALA 157.A N LYS 154.A O no hydrogen 3.243 N/A LEU 158.A N PHE 155.A O no hydrogen 3.025 N/A GLU 159.A N ASN 156.A O no hydrogen 2.876 N/A ASP 161.A N ASP 164.A OD2 no hydrogen 2.960 N/A SER 163.A OG ASP 161.A OD1 no hydrogen 2.700 N/A SER 163.A OG ASP 161.A OD2 no hydrogen 3.421 N/A ASP 164.A N ASP 161.A OD1 no hydrogen 2.864 N/A LEU 165.A N ASP 161.A O no hydrogen 2.900 N/A ALA 166.A N ASP 162.A O no hydrogen 2.941 N/A ILE 167.A N ASP 164.A O no hydrogen 3.226 N/A PHE 168.A N ASP 164.A O no hydrogen 3.084 N/A ILE 169.A N LEU 165.A O no hydrogen 2.774 N/A ALA 170.A N ALA 166.A O no hydrogen 3.210 N/A VAL 171.A N ILE 167.A O no hydrogen 2.866 N/A ILE 172.A N PHE 168.A O no hydrogen 3.131 N/A ILE 173.A N ILE 169.A O no hydrogen 3.017 N/A LEU 174.A N ALA 170.A O no hydrogen 3.151 N/A SER 175.A OG ILE 172.A O no hydrogen 2.825 N/A ARG 178.A NH1 GLU 105.A OE2 no hydrogen 3.009 N/A ARG 178.A NH2 GLU 105.A OE1 no hydrogen 2.820 N/A ARG 178.A NH2 ILE 172.A O no hydrogen 3.332 N/A LEU 182.A N ASP 94.A OD1 no hydrogen 2.642 N/A ASN 183.A N ASP 94.A OD2 no hydrogen 2.761 N/A ILE 187.A N VAL 184.A O no hydrogen 2.991 N/A GLU 188.A N VAL 184.A O no hydrogen 3.043 N/A ASP 189.A N LYS 185.A O no hydrogen 2.934 N/A ILE 190.A N PRO 186.A O no hydrogen 3.210 N/A GLN 191.A N ILE 187.A O no hydrogen 2.895 N/A GLN 191.A NE2 VAL 171.A O no hydrogen 3.065 N/A ASP 192.A N GLU 188.A O no hydrogen 2.765 N/A ASN 193.A N ASP 189.A O no hydrogen 3.325 N/A LEU 194.A N ILE 190.A O no hydrogen 2.921 N/A LEU 195.A N GLN 191.A O no hydrogen 2.760 N/A GLN 196.A N ASP 192.A O no hydrogen 3.100 N/A ALA 197.A N ASN 193.A O no hydrogen 3.007 N/A LEU 198.A N LEU 194.A O no hydrogen 2.821 N/A GLU 199.A N LEU 195.A O no hydrogen 2.993 N/A LEU 200.A N GLN 196.A O no hydrogen 3.215 N/A GLN 201.A N ALA 197.A O no hydrogen 2.927 N/A GLN 201.A NE2 ASP 164.A OD1 no hydrogen 3.166 N/A LEU 202.A N LEU 198.A O no hydrogen 2.843 N/A LYS 203.A N GLU 199.A O no hydrogen 3.007 N/A LEU 204.A N LEU 200.A O no hydrogen 2.949 N/A ASN 205.A N GLN 201.A O no hydrogen 2.890 N/A ASN 205.A ND2 ASP 161.A OD2 no hydrogen 2.969 N/A ASN 205.A ND2 ASP 164.A OD1 no hydrogen 3.136 N/A ASN 205.A ND2 ASP 164.A OD2 no hydrogen 3.249 N/A HIS 206.A N LEU 202.A O no hydrogen 2.883 N/A HIS 206.A NE2 ASP 164.A OD2 no hydrogen 2.581 N/A SER 209.A N HIS 206.A O no hydrogen 3.039 N/A LEU 212.A N SER 209.A O no hydrogen 3.267 N/A LYS 215.A N GLN 211.A O no hydrogen 2.928 N/A LEU 216.A N LEU 212.A O no hydrogen 2.779 N/A LEU 217.A N PHE 213.A O no hydrogen 3.054 N/A GLN 218.A N ALA 214.A O no hydrogen 3.221 N/A GLN 218.A NE2 ASP 222.A OD1 no hydrogen 2.926 N/A LYS 219.A N LYS 215.A O no hydrogen 3.297 N/A MET 220.A N LEU 216.A O no hydrogen 3.243 N/A MET 220.A N LEU 217.A O no hydrogen 2.950 N/A THR 221.A N LEU 217.A O no hydrogen 3.346 N/A THR 221.A OG1 GLN 218.A O no hydrogen 2.463 N/A ASP 222.A N GLN 218.A O no hydrogen 2.883 N/A LEU 223.A N LYS 219.A O no hydrogen 2.905 N/A ARG 224.A N THR 221.A O no hydrogen 2.916 N/A ARG 224.A NH1 ASP 177.A OD2 no hydrogen 2.745 N/A ARG 224.A NH2 ASP 177.A OD1 no hydrogen 2.902 N/A ARG 224.A NH2 ASP 177.A OD2 no hydrogen 3.312 N/A GLN 225.A N ASP 222.A O no hydrogen 2.875 N/A GLN 225.A NE2 THR 221.A O no hydrogen 3.631 N/A ILE 226.A N ASP 222.A O no hydrogen 3.081 N/A VAL 227.A N LEU 223.A O no hydrogen 3.016 N/A THR 228.A N ARG 224.A O no hydrogen 3.010 N/A THR 228.A OG1 ARG 224.A O no hydrogen 3.306 N/A GLU 229.A N GLN 225.A O no hydrogen 2.849 N/A HIS 230.A N ILE 226.A O no hydrogen 2.971 N/A VAL 231.A N VAL 227.A O no hydrogen 2.752 N/A GLN 232.A N THR 228.A O no hydrogen 3.142 N/A LEU 233.A N GLU 229.A O no hydrogen 3.261 N/A LEU 234.A N HIS 230.A O no hydrogen 2.953 N/A GLN 235.A N VAL 231.A O no hydrogen 2.852 N/A VAL 236.A N GLN 232.A O no hydrogen 3.265 N/A ILE 237.A N LEU 233.A O no hydrogen 3.156 N/A LYS 238.A N LEU 234.A O no hydrogen 2.897 N/A LYS 239.A N GLN 235.A O no hydrogen 3.071 N/A THR 240.A N VAL 236.A O no hydrogen 2.802 N/A THR 240.A OG1 VAL 236.A O no hydrogen 3.341 N/A GLU 241.A N ILE 237.A O no hydrogen 2.962 N/A MET 244.A N GLU 241.A O no hydrogen 2.822 N/A HIS 247.A N GLN 67.A OE1 no hydrogen 2.894 N/A LEU 249.A N HIS 247.A ND1 no hydrogen 2.835 N/A GLN 251.A N HIS 247.A O no hydrogen 3.000 N/A GLU 252.A N PRO 248.A O no hydrogen 3.031 N/A ILE 253.A N LEU 249.A O no hydrogen 3.146 N/A TYR 254.A N LEU 250.A O no hydrogen 2.875 N/A LYS 255.A N GLN 251.A O no hydrogen 3.047 N/A TYR 258.A N TYR 101.A OH no hydrogen 2.876 N/A