Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8x2s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 225.A OE2 no hydrogen 3.029 N/A SER 3.A OG GLU 222.A OE1 no hydrogen 2.670 N/A LYS 4.A N LEU 223.A O no hydrogen 2.919 N/A LYS 4.A NZ TYR 5.A OH no hydrogen 3.369 N/A TYR 5.A N LEU 223.A O no hydrogen 2.954 N/A LEU 7.A N LEU 221.A O no hydrogen 2.883 N/A ILE 8.A N ILE 184.A O no hydrogen 3.088 N/A MET 9.A N ILE 219.A O no hydrogen 2.956 N/A LEU 10.A N ILE 186.A O no hydrogen 3.008 N/A ARG 11.A NH1 LEU 213.A O no hydrogen 2.827 N/A ARG 11.A NH2 GLU 14.A OE2 no hydrogen 2.943 N/A HIS 12.A ND1 GLY 13.A O no hydrogen 2.840 N/A HIS 12.A NE2 HIS 189.A ND1 no hydrogen 2.822 N/A GLU 20.A N ALA 16.A O no hydrogen 3.188 N/A ASN 21.A N ASN 18.A O no hydrogen 3.175 N/A ARG 22.A N TRP 17.A O no hydrogen 2.721 N/A ARG 22.A NE GLU 20.A OE1 no hydrogen 2.912 N/A ARG 22.A NH1 GLY 98.A O no hydrogen 2.957 N/A ARG 22.A NH1 GLN 103.A OE1 no hydrogen 2.927 N/A CYS 24.A SG VAL 27.A O no hydrogen 3.005 N/A SER 25.A OG ARG 91.A O no hydrogen 2.579 N/A TRP 26.A NE1 GLU 90.A O no hydrogen 2.797 N/A VAL 27.A N CYS 24.A O no hydrogen 3.020 N/A GLY 35.A N ASN 32.A OD1 no hydrogen 2.830 N/A MET 36.A N ASN 32.A O no hydrogen 2.970 N/A GLU 37.A N SER 33.A O no hydrogen 2.984 N/A GLU 38.A N GLU 34.A O no hydrogen 2.941 N/A ALA 39.A N GLY 35.A O no hydrogen 3.163 N/A ARG 40.A N MET 36.A O no hydrogen 3.086 N/A ASN 41.A N GLU 37.A O no hydrogen 2.839 N/A CYS 42.A N GLU 38.A O no hydrogen 2.957 N/A CYS 42.A SG GLU 38.A O no hydrogen 3.637 N/A GLY 43.A N ALA 39.A O no hydrogen 3.016 N/A LYS 44.A N ARG 40.A O no hydrogen 2.941 N/A GLN 45.A N ASN 41.A O no hydrogen 2.895 N/A LEU 46.A N CYS 42.A O no hydrogen 2.830 N/A LYS 47.A N GLY 43.A O no hydrogen 2.867 N/A ALA 48.A N LYS 44.A O no hydrogen 2.906 N/A LEU 49.A N GLN 45.A O no hydrogen 3.137 N/A ASN 50.A N LYS 47.A O no hydrogen 2.888 N/A PHE 51.A N LEU 46.A O no hydrogen 3.060 N/A PHE 53.A N GLN 77.A OE1 no hydrogen 2.931 N/A ASP 54.A N THR 183.A O no hydrogen 2.822 N/A VAL 56.A N PRO 81.A O no hydrogen 2.914 N/A PHE 57.A N LEU 185.A O no hydrogen 2.896 N/A THR 58.A N GLU 83.A O no hydrogen 2.899 N/A THR 58.A OG1 SER 59.A O no hydrogen 2.684 N/A THR 58.A OG1 SER 84.A OG no hydrogen 2.580 N/A SER 59.A N SER 64.A OG.A no hydrogen 3.200 N/A SER 59.A N SER 64.A OG.B no hydrogen 2.956 N/A SER 59.A OG LEU 61.A O no hydrogen 3.563 N/A SER 59.A OG SER 64.A OG.B no hydrogen 2.948 N/A SER 59.A OG HIS 189.A NE2 no hydrogen 2.751 N/A VAL 60.A N ASN 89.A OD1 no hydrogen 3.262 N/A LEU 61.A N SER 59.A OG no hydrogen 2.965 N/A ASN 62.A N ASP 28.A OD1 no hydrogen 2.751 N/A ASN 62.A ND2 ASP 28.A O no hydrogen 3.135 N/A ASN 62.A ND2 ASP 28.A OD2 no hydrogen 2.947 N/A ARG 63.A NE HIS 12.A NE2 no hydrogen 3.256 N/A ARG 63.A NH1 VAL 27.A O no hydrogen 2.953 N/A ARG 63.A NH2 SER 25.A O no hydrogen 2.800 N/A SER 64.A N LEU 61.A O no hydrogen 3.057 N/A SER 64.A OG.A SER 187.A O no hydrogen 2.453 N/A SER 64.A OG.A SER 187.A OG no hydrogen 3.376 N/A SER 64.A OG.B SER 59.A OG no hydrogen 2.948 N/A SER 64.A OG.B LEU 61.A O no hydrogen 3.247 N/A ILE 65.A N LEU 61.A O no hydrogen 3.458 N/A HIS 66.A N ASN 62.A O no hydrogen 2.745 N/A THR 67.A N ARG 63.A O no hydrogen 3.214 N/A THR 67.A OG1 ARG 63.A O no hydrogen 2.719 N/A ALA 68.A N SER 64.A O no hydrogen 3.145 N/A TRP 69.A N ILE 65.A O no hydrogen 2.890 N/A LEU 70.A N HIS 66.A O no hydrogen 2.913 N/A ILE 71.A N THR 67.A O no hydrogen 3.069 N/A LEU 72.A N ALA 68.A O no hydrogen 2.855 N/A GLU 73.A N TRP 69.A O no hydrogen 2.915 N/A GLU 74.A N LEU 70.A O no hydrogen 3.033 N/A LEU 75.A N ILE 71.A O no hydrogen 2.991 N/A GLY 76.A N GLU 73.A O no hydrogen 3.075 N/A GLN 77.A N LEU 72.A O no hydrogen 2.828 N/A GLN 77.A NE2 PHE 51.A O no hydrogen 2.949 N/A GLU 78.A N GLU 78.A OE1 no hydrogen 2.873 N/A VAL 80.A N GLN 77.A O no hydrogen 2.949 N/A GLU 83.A N VAL 56.A O no hydrogen 2.835 N/A SER 84.A OG THR 58.A OG1 no hydrogen 2.580 N/A SER 84.A OG SER 59.A O no hydrogen 3.563 N/A SER 85.A N THR 58.A O no hydrogen 3.016 N/A TRP 86.A NE1 ASP 147.A OD1 no hydrogen 2.980 N/A ARG 87.A N SER 85.A OG no hydrogen 3.084 N/A ARG 87.A NE ASP 147.A OD1 no hydrogen 3.398 N/A ARG 87.A NE ASP 147.A OD2 no hydrogen 2.816 N/A ARG 87.A NH1 ARG 165.A O no hydrogen 2.802 N/A ARG 87.A NH2 ASP 147.A OD1 no hydrogen 3.171 N/A LEU 88.A N SER 85.A O no hydrogen 3.044 N/A ASN 89.A N TRP 86.A O no hydrogen 2.903 N/A ASN 89.A ND2 TYR 143.A OH no hydrogen 3.165 N/A ARG 91.A NE ASN 191.A OD1 no hydrogen 3.226 N/A ARG 91.A NH1 TRP 116.A O no hydrogen 2.924 N/A ARG 91.A NH2 TRP 116.A O no hydrogen 3.298 N/A ARG 91.A NH2 GLU 157.A O no hydrogen 2.879 N/A HIS 92.A N GLU 157.A OE1 no hydrogen 2.943 N/A HIS 92.A NE2 TYR 138.A OH no hydrogen 2.724 N/A TYR 93.A N SER 25.A OG no hydrogen 3.016 N/A GLY 94.A N HIS 92.A ND1 no hydrogen 3.005 N/A ALA 95.A N PRO 125.A O no hydrogen 3.022 N/A LEU 96.A N TYR 93.A O no hydrogen 3.133 N/A ILE 97.A N GLY 94.A O no hydrogen 3.164 N/A LEU 99.A N LEU 96.A O no hydrogen 3.126 N/A ASN 100.A N GLN 103.A OE1 no hydrogen 2.890 N/A GLN 103.A N ASN 100.A OD1 no hydrogen 2.842 N/A MET 104.A N ASN 100.A O no hydrogen 3.223 N/A ALA 105.A N ARG 101.A O no hydrogen 3.177 N/A LEU 106.A N GLU 102.A O no hydrogen 3.174 N/A ASN 107.A N GLN 103.A O no hydrogen 3.149 N/A ASN 107.A N MET 104.A O no hydrogen 3.178 N/A HIS 108.A N MET 104.A O no hydrogen 3.058 N/A GLY 109.A N ALA 105.A O no hydrogen 2.986 N/A VAL 113.A N GLY 109.A O no hydrogen 3.369 N/A ARG 114.A N GLU 111.A O no hydrogen 3.025 N/A ARG 114.A NE GLU 110.A OE2 no hydrogen 3.272 N/A TRP 116.A N GLN 112.A O no hydrogen 3.094 N/A ARG 117.A N VAL 113.A O no hydrogen 3.146 N/A ARG 118.A N ARG 114.A O no hydrogen 2.804 N/A ARG 118.A NH2 ASP 251.A OD2 no hydrogen 3.289 N/A SER 119.A N LEU 115.A O no hydrogen 2.623 N/A SER 119.A OG LEU 115.A O no hydrogen 2.789 N/A VAL 122.A N SER 119.A OG no hydrogen 3.053 N/A THR 123.A OG1 ASP 161.A OD2 no hydrogen 2.829 N/A ILE 127.A N ARG 155.A O no hydrogen 2.909 N/A HIS 131.A N GLU 128.A O no hydrogen 2.924 N/A HIS 131.A NE2 ALA 95.A O no hydrogen 3.019 N/A TYR 133.A N HIS 131.A ND1 no hydrogen 3.179 N/A TYR 134.A N HIS 131.A O no hydrogen 3.143 N/A GLN 135.A NE2 GLU 129.A O no hydrogen 2.805 N/A ILE 137.A N TYR 134.A O no hydrogen 3.288 N/A TYR 138.A N TYR 134.A O no hydrogen 2.967 N/A TYR 138.A OH HIS 92.A NE2 no hydrogen 2.724 N/A TYR 138.A OH PRO 154.A O no hydrogen 2.697 N/A ASN 139.A N GLN 135.A O no hydrogen 2.816 N/A ASP 140.A N ILE 137.A O no hydrogen 3.184 N/A ARG 142.A N ASP 140.A OD1 no hydrogen 2.974 N/A ARG 142.A NE ASP 140.A OD1 no hydrogen 2.932 N/A ARG 142.A NH1 ASP 28.A OD2 no hydrogen 3.102 N/A ARG 142.A NH1 VAL 60.A O no hydrogen 2.822 N/A ARG 142.A NH2 ASP 28.A OD2 no hydrogen 3.221 N/A ARG 142.A NH2 ASP 140.A OD2 no hydrogen 2.859 N/A TYR 143.A N ASP 140.A O no hydrogen 3.056 N/A LYS 144.A N ARG 141.A O no hydrogen 3.092 N/A CYS 146.A SG ARG 142.A O no hydrogen 3.623 N/A GLN 152.A N PRO 149.A O no hydrogen 2.903 N/A LEU 153.A N LEU 150.A O no hydrogen 3.172 N/A ARG 155.A NH1 LEU 150.A O no hydrogen 2.972 N/A ARG 155.A NH1 LEU 153.A O no hydrogen 2.820 N/A SER 156.A OG PRO 124.A O no hydrogen 2.905 N/A GLU 157.A N HIS 92.A O no hydrogen 2.801 N/A SER 158.A N ASP 161.A OD2 no hydrogen 2.867 N/A LYS 160.A N TYR 120.A O no hydrogen 2.841 N/A LYS 160.A NZ GLU 164.A OE2 no hydrogen 3.156 N/A ASP 161.A N SER 158.A OG no hydrogen 2.973 N/A VAL 162.A N SER 158.A O no hydrogen 3.087 N/A LEU 163.A N LEU 159.A O no hydrogen 3.088 N/A GLU 164.A N LYS 160.A O no hydrogen 3.026 N/A ARG 165.A N ASP 161.A O no hydrogen 3.119 N/A ARG 165.A N VAL 162.A O no hydrogen 3.216 N/A ARG 165.A NE GLU 157.A OE2 no hydrogen 2.682 N/A ARG 165.A NH1 ARG 87.A O no hydrogen 3.012 N/A ARG 165.A NH1 ASN 89.A O no hydrogen 2.867 N/A ARG 165.A NH2 ASN 89.A O no hydrogen 3.040 N/A ARG 165.A NH2 GLU 90.A O no hydrogen 3.031 N/A ARG 165.A NH2 GLU 157.A OE1 no hydrogen 2.756 N/A ARG 165.A NH2 GLU 157.A OE2 no hydrogen 3.490 N/A LEU 166.A N VAL 162.A O no hydrogen 2.962 N/A LEU 166.A N LEU 163.A O no hydrogen 3.224 N/A LEU 167.A N LEU 163.A O no hydrogen 2.852 N/A TYR 169.A OH GLU 83.A OE2.B no hydrogen 2.712 N/A TRP 170.A N LEU 166.A O no hydrogen 3.053 N/A ASN 171.A N LEU 167.A O no hydrogen 2.802 N/A GLU 172.A N PRO 168.A O no hydrogen 2.947 N/A ARG 173.A N TYR 169.A O no hydrogen 2.915 N/A ARG 173.A NE GLU 83.A OE1.A no hydrogen 2.969 N/A ARG 173.A NE GLU 83.A OE1.B no hydrogen 2.525 N/A ARG 173.A NE GLU 83.A OE2.A no hydrogen 3.358 N/A ARG 173.A NH1 GLU 177.A OE2 no hydrogen 2.954 N/A ARG 173.A NH2 GLU 83.A OE1.A no hydrogen 2.349 N/A ARG 173.A NH2 GLU 177.A OE2 no hydrogen 3.314 N/A ILE 174.A N TYR 169.A O no hydrogen 3.143 N/A ALA 175.A N TRP 170.A O no hydrogen 2.703 N/A GLU 177.A N ILE 174.A O no hydrogen 3.005 N/A VAL 178.A N ILE 174.A O no hydrogen 3.120 N/A LEU 179.A N ALA 175.A O no hydrogen 2.945 N/A ARG 180.A N PRO 176.A O no hydrogen 3.031 N/A ARG 180.A NH1 GLU 177.A OE1 no hydrogen 3.261 N/A GLY 181.A N VAL 178.A O no hydrogen 2.949 N/A LYS 182.A N GLU 177.A O no hydrogen 3.223 N/A LYS 182.A NZ GLU 177.A OE1 no hydrogen 2.784 N/A THR 183.A N ASP 54.A OD2 no hydrogen 2.869 N/A LEU 185.A N LEU 55.A O no hydrogen 3.114 N/A ILE 186.A N ILE 8.A O no hydrogen 2.810 N/A SER 187.A N PHE 57.A O no hydrogen 2.809 N/A SER 187.A OG SER 64.A O no hydrogen 2.630 N/A SER 187.A OG SER 64.A OG.A no hydrogen 3.376 N/A ALA 188.A N LEU 10.A O no hydrogen 2.928 N/A HIS 189.A N SER 192.A OG no hydrogen 3.046 N/A HIS 189.A ND1 HIS 12.A NE2 no hydrogen 2.822 N/A HIS 189.A NE2 SER 59.A OG no hydrogen 2.751 N/A ASN 191.A N GLU 90.A OE1 no hydrogen 3.015 N/A ASN 191.A ND2 GLU 90.A OE1 no hydrogen 3.141 N/A ASN 191.A ND2 GLU 90.A OE2 no hydrogen 3.195 N/A ASN 191.A ND2 TYR 93.A OH no hydrogen 2.880 N/A SER 192.A OG LEU 88.A O no hydrogen 2.753 N/A SER 193.A N HIS 189.A O no hydrogen 3.029 N/A SER 193.A OG.A HIS 189.A O no hydrogen 2.684 N/A SER 193.A OG.A GLY 190.A O no hydrogen 2.891 N/A SER 193.A OG.B HIS 189.A O no hydrogen 2.702 N/A ARG 194.A N GLY 190.A O no hydrogen 3.177 N/A ARG 194.A NH1 ILE 208.A O no hydrogen 2.857 N/A ARG 194.A NH1 ILE 211.A O no hydrogen 2.835 N/A ARG 194.A NH2 ILE 211.A O no hydrogen 3.295 N/A ALA 195.A N ASN 191.A O no hydrogen 2.883 N/A LEU 196.A N SER 192.A O no hydrogen 3.127 N/A LEU 197.A N SER 193.A O no hydrogen 3.045 N/A LYS 198.A N ARG 194.A O no hydrogen 2.908 N/A LYS 198.A NZ ILE 203.A O no hydrogen 2.687 N/A LYS 198.A NZ ASP 205.A OD1 no hydrogen 2.947 N/A HIS 199.A N ALA 195.A O no hydrogen 3.140 N/A LEU 200.A N LEU 196.A O no hydrogen 2.886 N/A GLU 201.A N LEU 197.A O no hydrogen 2.917 N/A GLY 202.A N HIS 199.A O no hydrogen 3.404 N/A ILE 203.A N LYS 198.A O no hydrogen 2.997 N/A SER 204.A OG GLU 206.A OE1.A no hydrogen 3.405 N/A ASP 207.A N SER 204.A OG no hydrogen 2.896 N/A ILE 208.A N SER 204.A O no hydrogen 3.095 N/A ASN 210.A N ASP 207.A O no hydrogen 3.218 N/A ILE 211.A N ILE 208.A O no hydrogen 3.453 N/A THR 215.A OG1 GLU 38.A OE1 no hydrogen 2.712 N/A THR 215.A OG1 GLU 38.A OE2 no hydrogen 3.430 N/A GLY 216.A N ARG 11.A O no hydrogen 3.039 N/A ILE 219.A N MET 9.A O no hydrogen 2.765 N/A LEU 220.A N GLN 234.A O no hydrogen 2.681 N/A LEU 221.A N LEU 7.A O no hydrogen 2.866 N/A LEU 223.A N TYR 5.A O no hydrogen 2.845 N/A ASP 224.A N ARG 228.A O no hydrogen 2.860 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.857 N/A ASN 226.A N ASP 224.A OD1 no hydrogen 2.748 N/A LEU 227.A N ASP 224.A O no hydrogen 2.879 N/A ARG 228.A N ASP 224.A OD1 no hydrogen 3.036 N/A ARG 228.A NE LEU 200.A O no hydrogen 3.232 N/A ALA 229.A N LEU 200.A O no hydrogen 2.940 N/A VAL 230.A N GLU 222.A O no hydrogen 2.744 N/A HIS 233.A ND1 GLU 201.A OE2 no hydrogen 2.765 N/A GLN 234.A N LEU 220.A O no hydrogen 2.907 N/A GLN 234.A NE2 GLU 222.A OE2 no hydrogen 3.332 N/A LEU 236.A N PRO 218.A O no hydrogen 2.952 N/A GLU 240.A N ASP 238.A OD1 no hydrogen 3.046 N/A ALA 241.A N ASP 238.A OD2 no hydrogen 3.337 N/A ILE 242.A N ASP 238.A O no hydrogen 3.004 N/A GLN 243.A N GLN 239.A O no hydrogen 2.915 N/A ALA 244.A N GLU 240.A O no hydrogen 3.036 N/A ALA 245.A N ALA 241.A O no hydrogen 2.954 N/A ILE 246.A N ILE 242.A O no hydrogen 2.850 N/A LYS 247.A N GLN 243.A O no hydrogen 3.059 N/A LYS 247.A NZ GLU 250.A OE1 no hydrogen 2.868 N/A LYS 248.A N ALA 244.A O no hydrogen 3.154 N/A LYS 248.A NZ GLU 34.A OE2 no hydrogen 2.935 N/A VAL 249.A N ILE 246.A O no hydrogen 3.194 N/A GLU 250.A N ILE 246.A O no hydrogen 3.097 N/A GLU 250.A N LYS 247.A O no hydrogen 3.180 N/A