Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1x8b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG GLU 78.A OE1 no hydrogen 2.582 N/A ARG 4.A N GLU 78.A OE2 no hydrogen 2.712 N/A ARG 4.A NH2 SER 74.A OG no hydrogen 3.029 N/A TYR 5.A N GLU 78.A OE1 no hydrogen 2.866 N/A TYR 5.A OH GLU 11.A OE2 no hydrogen 2.666 N/A THR 7.A N SER 3.A O no hydrogen 2.941 N/A GLU 8.A N ARG 4.A O no hydrogen 2.816 N/A PHE 9.A N TYR 5.A O no hydrogen 3.228 N/A HIS 10.A N VAL 27.A O no hydrogen 2.815 N/A LEU 12.A N LYS 25.A O no hydrogen 2.833 N/A GLU 13.A N LYS 25.A O no hydrogen 3.408 N/A ILE 15.A N VAL 23.A O no hydrogen 2.850 N/A GLY 16.A N VAL 23.A O no hydrogen 3.248 N/A SER 22.A N ARG 39.A O no hydrogen 3.281 N/A VAL 23.A N GLY 16.A O no hydrogen 2.864 N/A PHE 24.A N ILE 37.A O no hydrogen 2.843 N/A LYS 25.A N GLU 13.A O no hydrogen 2.807 N/A CYS 26.A N TYR 35.A O no hydrogen 2.901 N/A CYS 26.A SG TYR 5.A OH no hydrogen 3.411 N/A CYS 26.A SG PHE 24.A O no hydrogen 3.860 N/A VAL 27.A N HIS 10.A O no hydrogen 2.854 N/A LYS 28.A N CYS 33.A O no hydrogen 2.827 N/A ARG 29.A N GLU 8.A O no hydrogen 2.872 N/A ARG 29.A NE THR 6.A O no hydrogen 3.515 N/A ARG 29.A NE THR 7.A O no hydrogen 3.096 N/A ARG 29.A NH2 THR 6.A O no hydrogen 3.461 N/A GLY 32.A N LYS 28.A O no hydrogen 2.890 N/A CYS 33.A N ASP 31.A OD2 no hydrogen 2.950 N/A CYS 33.A SG ASP 31.A O no hydrogen 3.740 N/A TYR 35.A N CYS 26.A O no hydrogen 2.737 N/A TYR 35.A OH ASP 31.A OD1 no hydrogen 2.622 N/A ALA 36.A N ASN 86.A O no hydrogen 2.888 N/A ILE 37.A N PHE 24.A O no hydrogen 2.879 N/A LYS 38.A N ILE 84.A O no hydrogen 2.868 N/A LYS 38.A NZ GLU 56.A OE1 no hydrogen 2.729 N/A LYS 38.A NZ GLU 56.A OE2 no hydrogen 3.502 N/A ARG 39.A N SER 22.A O no hydrogen 2.831 N/A SER 40.A N MET 82.A O no hydrogen 2.951 N/A LYS 42.A N ASP 80.A O no hydrogen 2.630 N/A GLY 46.A N GLU 50.A OE2 no hydrogen 2.189 N/A SER 47.A N LEU 44.A O no hydrogen 2.978 N/A SER 47.A OG LEU 44.A O no hydrogen 2.405 N/A GLU 50.A N SER 47.A OG no hydrogen 3.053 N/A GLN 51.A N SER 47.A O no hydrogen 2.963 N/A ASN 52.A N VAL 48.A O no hydrogen 2.923 N/A ALA 53.A N ASP 49.A O no hydrogen 2.927 N/A LEU 54.A N GLU 50.A O no hydrogen 2.815 N/A ARG 55.A N GLN 51.A O no hydrogen 3.020 N/A ARG 55.A NH2 ASN 52.A OD1 no hydrogen 2.994 N/A GLU 56.A N ALA 53.A O no hydrogen 3.283 N/A TYR 58.A N LEU 54.A O no hydrogen 2.852 N/A ALA 59.A N ARG 55.A O no hydrogen 2.778 N/A HIS 60.A N GLU 56.A O no hydrogen 2.918 N/A ALA 61.A N VAL 57.A O no hydrogen 2.729 N/A VAL 62.A N ALA 59.A O no hydrogen 3.079 N/A LEU 63.A N HIS 60.A O no hydrogen 3.290 N/A GLN 65.A N TYR 126.A OH no hydrogen 3.138 N/A GLN 65.A NE2 VAL 62.A O no hydrogen 3.608 N/A HIS 68.A N HIS 66.A ND1 no hydrogen 3.010 N/A VAL 69.A N HIS 66.A O no hydrogen 3.251 N/A VAL 70.A N ILE 151.A O no hydrogen 2.846 N/A ARG 71.A N GLU 87.A OE1 no hydrogen 2.869 N/A PHE 73.A N GLN 85.A O no hydrogen 2.889 N/A SER 74.A N GLN 85.A O no hydrogen 3.212 N/A TRP 76.A N LEU 83.A O no hydrogen 3.026 N/A TRP 76.A NE1 GLU 78.A OE1 no hydrogen 2.894 N/A GLU 78.A N HIS 81.A O no hydrogen 2.845 N/A HIS 81.A N GLU 78.A O no hydrogen 2.958 N/A MET 82.A N SER 40.A O no hydrogen 2.861 N/A LEU 83.A N TRP 76.A O no hydrogen 2.826 N/A ILE 84.A N LYS 38.A O no hydrogen 3.056 N/A GLN 85.A N SER 74.A O no hydrogen 2.755 N/A ASN 86.A N ALA 36.A O no hydrogen 2.803 N/A ASN 86.A ND2 HIS 60.A NE2 no hydrogen 3.262 N/A GLU 87.A N ARG 71.A O no hydrogen 2.771 N/A GLY 91.A N ILE 144.A O no hydrogen 2.769 N/A GLY 92.A N CYS 89.A O no hydrogen 3.465 N/A LEU 94.A N ILE 142.A O no hydrogen 2.776 N/A ALA 95.A N PRO 139.A O no hydrogen 3.089 N/A ASP 96.A N SER 93.A OG no hydrogen 3.070 N/A ALA 97.A N SER 93.A O no hydrogen 3.207 N/A ILE 98.A N LEU 94.A O no hydrogen 2.820 N/A SER 99.A N ALA 95.A O no hydrogen 2.896 N/A GLU 100.A N ASP 96.A O no hydrogen 3.063 N/A ASN 101.A N ALA 97.A O no hydrogen 2.945 N/A TYR 102.A N ILE 98.A O no hydrogen 2.800 N/A TYR 102.A OH GLU 204.A OE1 no hydrogen 3.236 N/A TYR 102.A OH GLU 204.A OE2 no hydrogen 2.409 N/A ARG 103.A N SER 99.A O no hydrogen 3.243 N/A ARG 103.A N GLU 100.A O no hydrogen 3.145 N/A ILE 104.A N GLU 100.A O no hydrogen 3.183 N/A ILE 104.A N ASN 101.A O no hydrogen 3.117 N/A MET 105.A N TYR 102.A O no hydrogen 3.453 N/A SER 106.A N ASN 101.A O no hydrogen 3.289 N/A PHE 108.A N ALA 200.A O no hydrogen 3.273 N/A LYS 109.A N GLU 112.A OE2 no hydrogen 2.906 N/A LEU 113.A N LYS 109.A O no hydrogen 2.826 N/A LYS 114.A N GLU 110.A O no hydrogen 2.942 N/A LYS 114.A NZ GLU 110.A OE1 no hydrogen 3.395 N/A LYS 114.A NZ VAL 258.A O no hydrogen 3.408 N/A ASP 115.A N ALA 111.A O no hydrogen 3.038 N/A LEU 116.A N GLU 112.A O no hydrogen 2.971 N/A LEU 117.A N LEU 113.A O no hydrogen 2.961 N/A LEU 118.A N LYS 114.A O no hydrogen 2.877 N/A GLN 119.A N ASP 115.A O no hydrogen 2.870 N/A GLN 119.A NE2 ASP 115.A OD1 no hydrogen 2.874 N/A GLN 119.A NE2 VAL 147.A O no hydrogen 3.089 N/A VAL 120.A N LEU 116.A O no hydrogen 2.970 N/A GLY 121.A N LEU 117.A O no hydrogen 2.827 N/A ARG 122.A N LEU 118.A O no hydrogen 2.778 N/A GLY 123.A N GLN 119.A O no hydrogen 3.115 N/A LEU 124.A N VAL 120.A O no hydrogen 2.782 N/A ARG 125.A N GLY 121.A O no hydrogen 2.858 N/A TYR 126.A N ARG 122.A O no hydrogen 2.976 N/A ILE 127.A N GLY 123.A O no hydrogen 3.031 N/A HIS 128.A N LEU 124.A O no hydrogen 2.787 N/A HIS 128.A NE2 ASP 189.A OD2 no hydrogen 2.747 N/A SER 129.A N ARG 125.A O no hydrogen 2.908 N/A SER 129.A OG TYR 126.A O no hydrogen 2.676 N/A MET 130.A N TYR 126.A O no hydrogen 3.280 N/A MET 130.A N ILE 127.A O no hydrogen 3.060 N/A SER 131.A N HIS 128.A O no hydrogen 3.006 N/A LEU 132.A N ILE 127.A O no hydrogen 3.381 N/A VAL 133.A N THR 158.A O no hydrogen 2.921 N/A HIS 134.A N ASP 189.A OD2 no hydrogen 2.814 N/A MET 135.A N ASP 189.A OD1 no hydrogen 2.856 N/A LYS 138.A NZ ASP 169.A OD2 no hydrogen 2.843 N/A ASN 141.A N LYS 138.A O no hydrogen 2.936 N/A ASN 141.A ND2 ASP 136.A O no hydrogen 2.847 N/A ASN 141.A ND2 ASP 136.A OD1 no hydrogen 3.150 N/A ILE 142.A N PRO 139.A O no hydrogen 3.255 N/A PHE 143.A N LYS 150.A O no hydrogen 2.813 N/A ILE 144.A N GLY 92.A O no hydrogen 2.847 N/A SER 145.A N MET 148.A O no hydrogen 2.828 N/A LYS 146.A NZ ASP 115.A OD1 no hydrogen 3.557 N/A MET 148.A N SER 145.A O no hydrogen 2.752 N/A PHE 149.A N GLN 119.A OE1 no hydrogen 2.746 N/A LYS 150.A N PHE 143.A O no hydrogen 2.846 N/A LYS 150.A NZ SER 67.A O no hydrogen 3.181 N/A LYS 150.A NZ GLU 87.A OE2 no hydrogen 3.150 N/A ILE 151.A N HIS 68.A O no hydrogen 2.908 N/A GLY 152.A N ASN 141.A O no hydrogen 2.797 N/A GLY 155.A N ASP 153.A OD2 no hydrogen 3.120 N/A VAL 157.A N LEU 154.A O no hydrogen 3.180 N/A THR 158.A N VAL 133.A O no hydrogen 3.210 N/A THR 158.A OG1 SER 162.A OG no hydrogen 2.795 N/A ARG 159.A NE SER 131.A O no hydrogen 3.037 N/A ILE 160.A N SER 131.A O no hydrogen 2.911 N/A SER 162.A N ARG 159.A O no hydrogen 3.090 N/A SER 162.A OG THR 158.A OG1 no hydrogen 2.795 N/A SER 162.A OG ARG 159.A O no hydrogen 2.718 N/A ASP 169.A N ASP 136.A OD2 no hydrogen 2.917 N/A SER 170.A OG ARG 208.A O no hydrogen 2.472 N/A ARG 171.A N ASP 169.A OD1 no hydrogen 2.894 N/A ARG 171.A NE ASP 169.A OD1 no hydrogen 2.976 N/A ARG 171.A NH2 ASP 169.A OD2 no hydrogen 2.698 N/A PHE 172.A N ASP 169.A O no hydrogen 2.983 N/A LEU 173.A N SER 170.A O no hydrogen 3.388 N/A GLU 176.A N GLU 176.A OE2 no hydrogen 2.876 N/A VAL 177.A N ALA 174.A O no hydrogen 3.181 N/A LEU 178.A N ALA 174.A O no hydrogen 3.268 N/A GLN 179.A N ASN 175.A O no hydrogen 2.718 N/A GLU 180.A N VAL 177.A O no hydrogen 2.808 N/A ASN 181.A N GLU 176.A O no hydrogen 2.904 N/A THR 183.A N ASN 181.A OD1 no hydrogen 3.260 N/A LYS 187.A N HIS 184.A O no hydrogen 2.986 N/A LYS 187.A NZ PRO 244.A O no hydrogen 3.294 N/A LYS 187.A NZ ARG 247.A O no hydrogen 2.860 N/A ALA 188.A N LEU 185.A O no hydrogen 2.899 N/A ASP 189.A N PRO 186.A O no hydrogen 3.048 N/A ILE 190.A N PRO 186.A O no hydrogen 3.269 N/A PHE 191.A N LYS 187.A O no hydrogen 2.986 N/A ALA 192.A N ALA 188.A O no hydrogen 3.051 N/A LEU 193.A N ASP 189.A O no hydrogen 2.947 N/A ALA 194.A N ILE 190.A O no hydrogen 3.011 N/A LEU 195.A N PHE 191.A O no hydrogen 3.221 N/A THR 196.A N ALA 192.A O no hydrogen 2.819 N/A THR 196.A OG1 ALA 192.A O no hydrogen 2.919 N/A VAL 197.A N LEU 193.A O no hydrogen 2.945 N/A VAL 198.A N ALA 194.A O no hydrogen 2.987 N/A CYS 199.A N LEU 195.A O no hydrogen 2.995 N/A CYS 199.A SG LEU 195.A O no hydrogen 3.395 N/A ALA 200.A N THR 196.A O no hydrogen 3.052 N/A ALA 201.A N VAL 197.A O no hydrogen 2.954 N/A ALA 201.A N VAL 198.A O no hydrogen 3.166 N/A GLY 202.A N CYS 199.A O no hydrogen 3.075 N/A ALA 203.A N VAL 198.A O no hydrogen 3.349 N/A TRP 213.A NE1 SER 170.A O no hydrogen 2.856 N/A HIS 214.A N GLY 210.A O no hydrogen 3.271 N/A GLU 215.A N ASP 211.A O no hydrogen 3.077 N/A ILE 216.A N GLN 212.A O no hydrogen 3.298 N/A ARG 217.A N TRP 213.A O no hydrogen 3.284 N/A ARG 217.A NE TRP 213.A O no hydrogen 3.243 N/A ARG 217.A NH1 LEU 173.A O no hydrogen 2.660 N/A ARG 217.A NH2 TRP 213.A O no hydrogen 3.355 N/A GLN 218.A N GLU 215.A O no hydrogen 3.001 N/A GLN 218.A NE2 HIS 214.A O no hydrogen 3.374 N/A GLY 219.A N ILE 216.A O no hydrogen 2.784 N/A GLN 226.A NE2 PHE 108.A O no hydrogen 2.797 N/A GLN 226.A NE2 ALA 201.A O no hydrogen 2.900 N/A SER 229.A N GLU 110.A OE2 no hydrogen 2.772 N/A SER 229.A OG GLU 110.A OE1 no hydrogen 2.609 N/A PHE 232.A N SER 229.A OG no hydrogen 3.235 N/A THR 233.A N SER 229.A O no hydrogen 3.046 N/A THR 233.A OG1 SER 229.A O no hydrogen 3.492 N/A GLU 234.A N GLN 230.A O no hydrogen 2.862 N/A LEU 235.A N GLU 231.A O no hydrogen 3.129 N/A LEU 236.A N PHE 232.A O no hydrogen 3.006 N/A LYS 237.A N THR 233.A O no hydrogen 2.838 N/A VAL 238.A N GLU 234.A O no hydrogen 2.920 N/A MET 239.A N LEU 235.A O no hydrogen 3.025 N/A ILE 240.A N LYS 237.A O no hydrogen 3.140 N/A HIS 241.A N VAL 238.A O no hydrogen 3.076 N/A ASP 243.A N HIS 241.A ND1 no hydrogen 2.944 N/A GLU 245.A N ASP 243.A OD1 no hydrogen 3.105 N/A ARG 246.A N ASP 243.A O no hydrogen 2.817 N/A ARG 247.A N PRO 244.A O no hydrogen 3.031 N/A ARG 247.A NE HIS 241.A O no hydrogen 2.754 N/A ARG 247.A NH1 GLU 176.A OE1 no hydrogen 2.705 N/A ARG 247.A NH1 LYS 187.A O no hydrogen 3.090 N/A ARG 247.A NH2 GLU 176.A OE2 no hydrogen 3.056 N/A ARG 247.A NH2 HIS 241.A O no hydrogen 2.886 N/A ALA 252.A N SER 249.A OG no hydrogen 3.063 N/A LEU 253.A N SER 249.A O no hydrogen 2.863 N/A VAL 254.A N ALA 250.A O no hydrogen 2.969 N/A LYS 255.A N MET 251.A O no hydrogen 3.156 N/A HIS 256.A N LEU 253.A O no hydrogen 3.043 N/A VAL 258.A N HIS 256.A ND1 no hydrogen 3.067 N/A LEU 259.A N HIS 256.A O no hydrogen 2.956 N/A