Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6x00_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N.A ASP 213.A OD2 no hydrogen 3.451 N/A MET 1.A N.A GLU 262.A OE1 no hydrogen 3.548 N/A MET 1.A N.A GLU 262.A OE2 no hydrogen 2.885 N/A MET 1.A N.B GLU 262.A OE1 no hydrogen 2.978 N/A MET 1.A N.B GLU 262.A OE2 no hydrogen 2.875 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 2.749 N/A SER 5.A N ASP 30.A OD1 no hydrogen 2.867 N/A MET 6.A N CYS 102.A O no hydrogen 2.926 N/A ARG 7.A N TYR 28.A O no hydrogen 2.982 N/A ARG 7.A NH1 MET 6.A O no hydrogen 3.088 N/A ARG 7.A NH1 CYS 102.A O no hydrogen 3.161 N/A ARG 7.A NH1 ASP 103.A OD1 no hydrogen 2.974 N/A ARG 7.A NH2 ASP 103.A OD1 no hydrogen 2.800 N/A TYR 8.A N SER 100.A O.A no hydrogen 2.743 N/A TYR 8.A N SER 100.A O.B no hydrogen 2.880 N/A PHE 9.A N VAL 26.A O no hydrogen 2.835 N/A GLU 10.A N GLN 98.A O no hydrogen 2.895 N/A THR 11.A N ILE 24.A O no hydrogen 2.857 N/A ALA 12.A N LEU 96.A O no hydrogen 2.841 N/A VAL 13.A N ARG 22.A O no hydrogen 2.843 N/A SER 14.A N HIS 94.A O no hydrogen 2.868 N/A SER 14.A OG GLY 92.A O no hydrogen 2.678 N/A ARG 15.A NE.A GLU 20.A O no hydrogen 2.792 N/A ARG 15.A NH1.A ASP 40.A OD1 no hydrogen 2.688 N/A ARG 15.A NH1.B ASP 40.A OD2 no hydrogen 3.345 N/A ARG 15.A NH2.A GLU 20.A O no hydrogen 2.797 N/A GLU 19.A N PRO 16.A O no hydrogen 3.367 N/A ARG 22.A N VAL 13.A O no hydrogen 2.831 N/A ARG 22.A NE ASP 38.A OD1 no hydrogen 2.995 N/A ARG 22.A NH2 ASP 38.A OD1 no hydrogen 3.487 N/A ARG 22.A NH2 ASP 38.A OD2 no hydrogen 2.742 N/A TYR 23.A N SER 39.A OG no hydrogen 2.922 N/A TYR 23.A OH GLU 10.A OE2 no hydrogen 2.590 N/A ILE 24.A N THR 11.A O no hydrogen 2.896 N/A SER 25.A N PHE 37.A O no hydrogen 2.877 N/A SER 25.A OG TYR 46.A OH no hydrogen 2.694 N/A VAL 26.A N PHE 9.A O no hydrogen 2.919 N/A GLY 27.A N VAL 35.A O no hydrogen 2.952 N/A TYR 28.A N ARG 7.A O no hydrogen 2.829 N/A VAL 29.A N LYS 32.A O no hydrogen 2.983 N/A ASP 30.A N SER 5.A O no hydrogen 2.849 N/A LYS 32.A N VAL 29.A O no hydrogen 3.053 N/A PHE 34.A N GLY 27.A O no hydrogen 2.807 N/A ARG 36.A N GLU 47.A O no hydrogen 3.227 N/A ARG 36.A NE GLU 33.A OE2 no hydrogen 2.822 N/A ARG 36.A NH1 GLU 33.A OE1 no hydrogen 2.960 N/A ARG 36.A NH1 GLU 33.A OE2 no hydrogen 3.533 N/A PHE 37.A N SER 25.A O no hydrogen 2.875 N/A SER 39.A N TYR 23.A O no hydrogen 2.915 N/A SER 39.A OG TYR 23.A O no hydrogen 3.406 N/A ASP 40.A N ASP 38.A OD1 no hydrogen 2.921 N/A ALA 41.A N ASP 38.A O no hydrogen 3.192 N/A ARG 45.A NE GLU 47.A OE1 no hydrogen 2.769 N/A TYR 46.A N THR 65.A OG1 no hydrogen 2.974 N/A TYR 46.A OH SER 25.A OG no hydrogen 2.694 N/A GLU 47.A N ARG 36.A O no hydrogen 2.865 N/A ARG 49.A N PHE 34.A O no hydrogen 2.804 N/A ARG 49.A NE GLU 33.A OE2 no hydrogen 2.809 N/A ALA 50.A N PHE 34.A O no hydrogen 3.174 N/A MET 53.A N ALA 50.A O no hydrogen 2.991 N/A GLU 54.A N PRO 51.A O no hydrogen 2.980 N/A GLN 55.A N TRP 52.A O no hydrogen 3.144 N/A GLU 56.A N MET 53.A O no hydrogen 2.963 N/A TYR 60.A N GLY 57.A O no hydrogen 3.125 N/A TYR 60.A OH TYR 172.A OH no hydrogen 2.694 N/A TRP 61.A NE1 GLU 56.A O no hydrogen 3.083 N/A GLU 62.A N PRO 58.A O no hydrogen 2.954 N/A ARG 63.A N GLU 59.A O no hydrogen 2.946 N/A GLU 64.A N TYR 60.A O no hydrogen 2.943 N/A THR 65.A N TRP 61.A O no hydrogen 2.926 N/A THR 65.A OG1 TRP 61.A O no hydrogen 2.799 N/A GLN 66.A N GLU 62.A O no hydrogen 2.880 N/A LYS 67.A N ARG 63.A O no hydrogen 3.097 N/A LYS 67.A NZ GLU 64.A OE2 no hydrogen 3.162 N/A ALA 68.A N GLU 64.A O no hydrogen 2.948 N/A LYS 69.A N THR 65.A O no hydrogen 2.997 N/A GLY 70.A N GLN 66.A O no hydrogen 3.145 N/A GLN 71.A N LYS 67.A O no hydrogen 2.841 N/A GLN 71.A NE2 GLU 10.A OE1 no hydrogen 3.561 N/A GLN 71.A NE2 GLU 10.A OE2 no hydrogen 2.899 N/A GLU 72.A N ALA 68.A O no hydrogen 2.835 N/A GLN 73.A N LYS 69.A O no hydrogen 3.339 N/A TRP 74.A N GLY 70.A O no hydrogen 2.992 N/A PHE 75.A N GLN 71.A O no hydrogen 2.822 N/A ARG 76.A N GLU 72.A O no hydrogen 2.966 N/A ARG 76.A NE GLN 73.A OE1 no hydrogen 2.803 N/A ARG 76.A NH2 GLN 73.A OE1 no hydrogen 2.813 N/A VAL 77.A N GLN 73.A O no hydrogen 3.014 N/A SER 78.A N TRP 74.A O no hydrogen 2.948 N/A SER 78.A OG TRP 74.A O no hydrogen 2.924 N/A LEU 79.A N PHE 75.A O no hydrogen 2.862 N/A ARG 80.A N ARG 76.A O no hydrogen 3.144 N/A ASN 81.A N VAL 77.A O no hydrogen 2.897 N/A LEU 82.A N SER 78.A O no hydrogen 2.904 N/A LEU 83.A N LEU 79.A O no hydrogen 3.039 N/A GLY 84.A N ARG 80.A O no hydrogen 3.480 N/A TYR 85.A N ASN 81.A O no hydrogen 3.083 N/A TYR 86.A N LEU 82.A O no hydrogen 3.057 N/A TYR 86.A OH ASP 138.A OD2 no hydrogen 2.664 N/A ASN 87.A N GLY 84.A O no hydrogen 3.310 N/A GLN 88.A N LEU 83.A O no hydrogen 2.911 N/A SER 93.A OG.B SER 14.A O no hydrogen 3.216 N/A HIS 94.A N SER 14.A OG no hydrogen 2.806 N/A THR 95.A N GLU 120.A OE2 no hydrogen 2.938 N/A LEU 96.A N ALA 12.A O no hydrogen 2.928 N/A GLN 97.A N ALA 118.A O no hydrogen 2.933 N/A GLN 98.A N GLU 10.A O no hydrogen 2.860 N/A GLN 98.A NE2 SER 100.A OG.B no hydrogen 3.061 N/A MET 99.A N GLN 116.A O no hydrogen 2.892 N/A SER 100.A N.A TYR 8.A O no hydrogen 3.016 N/A SER 100.A N.B TYR 8.A O no hydrogen 2.994 N/A GLY 101.A N TYR 114.A O no hydrogen 3.021 N/A CYS 102.A N MET 6.A O no hydrogen 2.988 N/A ASP 103.A N ARG 112.A O no hydrogen 2.950 N/A LEU 104.A N HIS 4.A O no hydrogen 2.934 N/A GLY 105.A N ARG 109.A O no hydrogen 2.807 N/A TRP 108.A N GLY 105.A O no hydrogen 2.888 N/A ARG 109.A N ASP 107.A OD1 no hydrogen 2.894 N/A ARG 109.A NE ASP 107.A O no hydrogen 3.414 N/A LEU 111.A N ASP 103.A O no hydrogen 2.853 N/A TYR 114.A N GLY 101.A O no hydrogen 2.871 N/A TYR 114.A OH ASP 103.A OD2 no hydrogen 2.611 N/A GLN 116.A N MET 99.A O no hydrogen 2.936 N/A PHE 117.A N ILE 125.A O no hydrogen 2.844 N/A ALA 118.A N GLN 97.A O no hydrogen 2.974 N/A TYR 119.A N ARG 122.A O no hydrogen 2.909 N/A TYR 119.A OH GLN 88.A OE1 no hydrogen 2.600 N/A GLU 120.A N THR 95.A O no hydrogen 2.833 N/A ARG 122.A N TYR 119.A O no hydrogen 2.995 N/A TYR 124.A N PHE 117.A O no hydrogen 2.884 N/A TYR 124.A OH THR 144.A OG1 no hydrogen 2.718 N/A ALA 126.A N THR 135.A O no hydrogen 2.942 N/A LEU 127.A N LEU 115.A O.A no hydrogen 2.862 N/A LEU 127.A N LEU 115.A O.B no hydrogen 2.846 N/A ASN 128.A N THR 133.A O no hydrogen 2.798 N/A ASN 128.A ND2 THR 133.A OG1 no hydrogen 2.917 N/A LEU 131.A N ASN 128.A O no hydrogen 2.847 N/A LYS 132.A N ASP 130.A OD1 no hydrogen 2.867 N/A THR 133.A N ASP 130.A OD1 no hydrogen 2.910 N/A THR 133.A OG1 ASP 130.A OD1 no hydrogen 3.214 N/A THR 133.A OG1 ASP 130.A OD2 no hydrogen 2.725 N/A THR 135.A N ALA 126.A O no hydrogen 2.806 N/A THR 135.A OG1 ASN 128.A OD1 no hydrogen 2.601 N/A ALA 137.A N TYR 124.A O no hydrogen 2.846 N/A ALA 141.A N ASP 138.A OD1 no hydrogen 2.962 N/A GLN 142.A N MET 139.A O no hydrogen 3.155 N/A GLN 142.A NE2 ASP 138.A O no hydrogen 3.395 N/A ILE 143.A N ALA 140.A O no hydrogen 3.010 N/A THR 144.A OG1 TYR 124.A OH no hydrogen 2.718 N/A ARG 145.A N ALA 141.A O no hydrogen 2.854 N/A ARG 145.A NE GLN 142.A OE1 no hydrogen 2.998 N/A ARG 145.A NH1 GLN 142.A OE1 no hydrogen 2.848 N/A ARG 145.A NH2 GLU 149.A OE2 no hydrogen 2.890 N/A ARG 146.A N GLN 142.A O no hydrogen 2.999 N/A LYS 147.A N ILE 143.A O no hydrogen 3.179 N/A TRP 148.A N THR 144.A O no hydrogen 2.857 N/A GLU 149.A N ARG 145.A O no hydrogen 2.822 N/A GLN 150.A N ARG 146.A O no hydrogen 3.054 N/A SER 151.A N LYS 147.A O no hydrogen 3.027 N/A SER 151.A OG LYS 147.A O no hydrogen 3.267 N/A SER 151.A OG TRP 148.A O no hydrogen 3.395 N/A ALA 153.A N TRP 148.A O no hydrogen 3.121 N/A GLU 155.A N GLY 152.A O no hydrogen 3.175 N/A TYR 157.A N ALA 153.A O no hydrogen 3.372 N/A LYS 158.A N ALA 154.A O no hydrogen 2.822 N/A ALA 159.A N GLU 155.A O no hydrogen 3.035 N/A TYR 160.A N HIS 156.A O no hydrogen 3.167 N/A LEU 161.A N TYR 157.A O no hydrogen 2.867 N/A GLU 162.A N LYS 158.A O no hydrogen 2.934 N/A GLY 163.A N ALA 159.A O no hydrogen 3.011 N/A CYS 165.A N TYR 160.A O no hydrogen 2.871 N/A GLU 167.A N GLY 163.A O no hydrogen 2.967 N/A TRP 168.A N GLU 164.A O no hydrogen 2.826 N/A LEU 169.A N CYS 165.A O no hydrogen 2.989 N/A HIS 170.A N VAL 166.A O no hydrogen 3.042 N/A ARG 171.A N GLU 167.A O no hydrogen 3.101 N/A ARG 171.A NE GLU 56.A OE2 no hydrogen 2.739 N/A ARG 171.A NH2 GLU 56.A OE1 no hydrogen 3.040 N/A ARG 171.A NH2 GLU 56.A OE2 no hydrogen 3.279 N/A TYR 172.A N TRP 168.A O no hydrogen 2.896 N/A TYR 172.A OH TYR 60.A OH no hydrogen 2.694 N/A LEU 173.A N LEU 169.A O no hydrogen 2.925 N/A LYS 174.A N HIS 170.A O no hydrogen 3.127 N/A ASN 175.A N ARG 171.A O no hydrogen 2.981 N/A GLY 176.A N TYR 172.A O no hydrogen 2.808 N/A ASN 177.A N LYS 174.A O no hydrogen 3.304 N/A THR 179.A N GLY 176.A O no hydrogen 2.934 N/A LEU 180.A N GLY 176.A O no hydrogen 2.787 N/A LEU 181.A N ASN 177.A O no hydrogen 2.972 N/A ARG 182.A N THR 179.A O no hydrogen 3.129 N/A ASP 184.A N TYR 210.A O no hydrogen 2.830 N/A LYS 187.A N LEU 207.A O no hydrogen 2.921 N/A LYS 187.A NZ LEU 207.A O no hydrogen 3.445 N/A HIS 189.A N TRP 205.A O no hydrogen 3.210 N/A THR 191.A N ARG 203.A O no hydrogen 2.899 N/A THR 191.A OG1 HIS 193.A NE2 no hydrogen 2.751 N/A THR 191.A OG1 ARG 203.A O no hydrogen 3.552 N/A HIS 192.A NE2 GLU 252.A OE2 no hydrogen 2.843 N/A HIS 193.A N THR 201.A O no hydrogen 2.848 N/A HIS 193.A NE2 THR 191.A OG1 no hydrogen 2.751 N/A SER 196.A N GLU 199.A O no hydrogen 3.341 N/A SER 196.A OG LYS 197.A O no hydrogen 3.205 N/A SER 196.A OG GLU 199.A OE1 no hydrogen 3.285 N/A GLU 199.A N SER 196.A O no hydrogen 3.478 N/A VAL 200.A N VAL 247.A O no hydrogen 2.788 N/A THR 201.A N HIS 193.A O no hydrogen 2.970 N/A LEU 202.A N VAL 245.A O no hydrogen 2.881 N/A ARG 203.A N THR 191.A O no hydrogen 2.911 N/A CYS 204.A N ALA 243.A O no hydrogen 2.736 N/A TRP 205.A N HIS 189.A O no hydrogen 2.871 N/A TRP 205.A NE1 THR 191.A OG1 no hydrogen 2.954 N/A ALA 206.A N LYS 241.A O no hydrogen 2.870 N/A LEU 207.A N LYS 187.A O no hydrogen 2.938 N/A PHE 209.A N PHE 239.A O no hydrogen 3.225 N/A TYR 210.A N ASP 184.A O no hydrogen 2.858 N/A THR 215.A N TYR 260.A O no hydrogen 3.086 N/A THR 217.A N ARG 258.A O no hydrogen 2.949 N/A THR 217.A OG1 ARG 258.A O no hydrogen 3.422 N/A TRP 218.A NE1 ALA 243.A O no hydrogen 2.937 N/A GLN 219.A N THR 256.A O no hydrogen 2.868 N/A GLN 219.A NE2 GLU 224.A OE1 no hydrogen 3.161 N/A LEU 220.A N GLU 223.A O no hydrogen 2.762 N/A ASN 221.A N ASN 254.A O no hydrogen 2.936 N/A GLU 223.A N LEU 220.A O no hydrogen 2.955 N/A LEU 225.A N TRP 218.A O no hydrogen 3.115 N/A GLU 227.A N SER 244.A O no hydrogen 2.854 N/A VAL 229.A N TRP 242.A O no hydrogen 3.276 N/A ARG 232.A N GLN 240.A O no hydrogen 3.079 N/A ARG 232.A NE GLN 240.A OE1 no hydrogen 2.872 N/A ARG 232.A NH2 GLN 240.A OE1 no hydrogen 3.150 N/A ALA 234.A N THR 238.A O no hydrogen 2.819 N/A THR 238.A N ASP 236.A OD1 no hydrogen 2.965 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.653 N/A PHE 239.A N PHE 209.A O no hydrogen 2.802 N/A GLN 240.A N ARG 232.A O no hydrogen 2.846 N/A LYS 241.A N ALA 206.A O no hydrogen 2.975 N/A LYS 241.A NZ VAL 229.A O no hydrogen 2.856 N/A LYS 241.A NZ THR 231.A OG1 no hydrogen 3.020 N/A ALA 243.A N CYS 204.A O no hydrogen 2.930 N/A SER 244.A N GLU 227.A O no hydrogen 2.798 N/A VAL 245.A N LEU 202.A O no hydrogen 2.974 N/A VAL 247.A N VAL 200.A O no hydrogen 2.771 N/A LEU 249.A N GLY 198.A O no hydrogen 2.773 N/A GLY 250.A N GLU 252.A OE1 no hydrogen 2.955 N/A LYS 251.A N PRO 248.A O no hydrogen 3.053 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.800 N/A GLN 253.A NE2 TRP 272.A O no hydrogen 2.820 N/A ASN 254.A N LYS 251.A O no hydrogen 2.944 N/A TYR 255.A N GLU 252.A O no hydrogen 3.293 N/A THR 256.A N GLN 219.A O no hydrogen 3.040 N/A CYS 257.A N LEU 270.A O no hydrogen 2.842 N/A CYS 257.A SG THR 217.A O no hydrogen 3.536 N/A ARG 258.A N THR 217.A O no hydrogen 2.875 N/A VAL 259.A N LEU 268.A O no hydrogen 2.944 N/A TYR 260.A N THR 215.A O no hydrogen 2.917 N/A HIS 261.A NE2 PRO 211.A O no hydrogen 2.848 N/A GLY 263.A N HIS 261.A ND1 no hydrogen 2.972 N/A LEU 264.A N HIS 261.A O no hydrogen 3.072 N/A LEU 268.A N VAL 259.A O no hydrogen 2.966 N/A LEU 270.A N CYS 257.A O no hydrogen 2.934 N/A ARG 271.A NH2 GLN 253.A O no hydrogen 2.791 N/A