Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3quo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 13.A N GLY 10.A O no hydrogen 3.022 N/A ASP 16.A N ARG 175.A O no hydrogen 2.789 N/A PHE 17.A N ARG 175.A O no hydrogen 3.141 N/A LEU 18.A N ARG 58.A O no hydrogen 2.949 N/A ALA 19.A N ARG 177.A O no hydrogen 2.873 N/A ILE 20.A N VAL 60.A O no hydrogen 3.118 N/A LYS 21.A N VAL 179.A O no hydrogen 2.829 N/A LYS 21.A NZ ASP 162.A OD1 no hydrogen 2.686 N/A VAL 22.A N ILE 62.A O no hydrogen 2.892 N/A GLY 23.A N LEU 181.A O no hydrogen 2.938 N/A LEU 26.A N GLY 23.A O no hydrogen 2.997 N/A PHE 27.A N GLY 24.A O no hydrogen 3.166 N/A SER 28.A OG SER 35.A O no hydrogen 2.723 N/A SER 28.A OG SER 35.A OG no hydrogen 3.312 N/A ARG 29.A N SER 35.A OG no hydrogen 2.763 N/A ARG 29.A NE GLU 32.A OE1 no hydrogen 3.448 N/A GLU 32.A N ARG 29.A O no hydrogen 2.800 N/A SER 35.A N GLU 32.A O no hydrogen 2.895 N/A SER 35.A OG SER 28.A OG no hydrogen 3.312 N/A SER 35.A OG ARG 29.A O no hydrogen 3.245 N/A ASP 37.A N PHE 27.A O no hydrogen 2.809 N/A ALA 40.A N ASP 37.A OD1 no hydrogen 3.145 N/A VAL 41.A N ASP 37.A O no hydrogen 2.999 N/A THR 42.A N ASP 38.A O no hydrogen 2.854 N/A THR 42.A OG1 ASP 38.A O no hydrogen 2.722 N/A ARG 43.A N ASP 39.A O no hydrogen 2.938 N/A ARG 43.A NH1 ASP 39.A OD2 no hydrogen 3.522 N/A PHE 44.A N ALA 40.A O no hydrogen 2.900 N/A ALA 45.A N VAL 41.A O no hydrogen 2.847 N/A ARG 46.A N THR 42.A O no hydrogen 3.241 N/A ASN 47.A N ARG 43.A O no hydrogen 3.440 N/A ASN 47.A ND2 PRO 238.A O no hydrogen 2.799 N/A PHE 48.A N PHE 44.A O no hydrogen 2.794 N/A ALA 49.A N ALA 45.A O no hydrogen 2.746 N/A ARG 50.A N ARG 46.A O no hydrogen 3.452 N/A LEU 51.A N ASN 47.A O no hydrogen 3.431 N/A ALA 52.A N PHE 48.A O no hydrogen 2.907 N/A GLU 53.A N ALA 49.A O no hydrogen 3.148 N/A THR 54.A N ARG 50.A O no hydrogen 3.398 N/A TYR 55.A N.A LEU 51.A O no hydrogen 2.785 N/A TYR 55.A N.B LEU 51.A O no hydrogen 2.785 N/A TYR 55.A OH.A LEU 245.A O no hydrogen 2.841 N/A TYR 55.A OH.B PRO 15.A O no hydrogen 2.721 N/A TYR 55.A OH.B THR 246.A O no hydrogen 3.367 N/A ARG 58.A N TYR 55.A O.A no hydrogen 2.699 N/A ARG 58.A N TYR 55.A O.B no hydrogen 3.074 N/A ARG 58.A NH2 THR 54.A O no hydrogen 2.979 N/A VAL 60.A N LEU 18.A O no hydrogen 2.974 N/A LEU 61.A N PRO 142.A O no hydrogen 3.192 N/A ILE 62.A N ILE 20.A O no hydrogen 2.769 N/A SER 63.A N LEU 144.A O no hydrogen 2.854 N/A SER 63.A OG GLY 64.A O no hydrogen 2.812 N/A GLY 64.A N VAL 22.A O no hydrogen 2.860 N/A ALA 67.A N SER 28.A OG no hydrogen 2.953 N/A GLY 69.A N GLY 65.A O no hydrogen 2.951 N/A HIS 70.A N GLY 66.A O no hydrogen 3.009 N/A GLY 71.A N ALA 67.A O no hydrogen 2.853 N/A ALA 72.A N PHE 68.A O no hydrogen 3.081 N/A ILE 73.A N GLY 69.A O no hydrogen 3.187 N/A ARG 74.A N HIS 70.A O no hydrogen 2.806 N/A ASP 75.A N GLY 71.A O no hydrogen 2.819 N/A HIS 76.A N ILE 73.A O no hydrogen 3.424 N/A HIS 76.A ND1 ILE 73.A O no hydrogen 2.657 N/A ASP 77.A N SER 83.A OG no hydrogen 2.843 N/A THR 79.A N ASP 77.A OD1 no hydrogen 3.029 N/A THR 79.A OG1 ASP 77.A OD1 no hydrogen 2.612 N/A THR 79.A OG1 ASP 77.A OD2 no hydrogen 3.123 N/A THR 79.A OG1 HIS 80.A ND1 no hydrogen 3.030 N/A HIS 80.A N ASP 77.A O no hydrogen 3.050 N/A HIS 80.A ND1 THR 79.A OG1 no hydrogen 3.030 N/A SER 83.A N HIS 80.A O no hydrogen 2.992 N/A SER 83.A OG ASP 77.A O no hydrogen 2.975 N/A SER 83.A OG HIS 80.A O no hydrogen 2.828 N/A LEU 84.A N ALA 81.A O no hydrogen 2.981 N/A ALA 85.A N PHE 82.A O no hydrogen 2.804 N/A GLY 86.A N SER 83.A O no hydrogen 3.295 N/A LEU 87.A N LEU 84.A O no hydrogen 2.826 N/A THR 88.A N ALA 85.A O no hydrogen 2.989 N/A THR 88.A OG1 ASP 147.A OD1 no hydrogen 2.561 N/A THR 88.A OG1 ASP 147.A OD2 no hydrogen 3.482 N/A ALA 90.A N GLY 86.A O no hydrogen 2.932 N/A THR 91.A N LEU 87.A O no hydrogen 2.929 N/A THR 91.A OG1 LEU 87.A O no hydrogen 3.541 N/A THR 91.A OG1 GLY 146.A O no hydrogen 2.809 N/A PHE 92.A N THR 88.A O no hydrogen 3.069 N/A GLU 93.A N GLU 89.A O no hydrogen 3.138 N/A VAL 94.A N ALA 90.A O no hydrogen 3.400 N/A LYS 95.A N THR 91.A O no hydrogen 3.169 N/A LYS 95.A NZ THR 91.A O no hydrogen 2.920 N/A LYS 96.A N PHE 92.A O no hydrogen 2.923 N/A LYS 96.A NZ GLU 100.A OE1 no hydrogen 2.312 N/A ARG 97.A N GLU 93.A O no hydrogen 3.006 N/A ARG 97.A NE GLU 93.A OE2 no hydrogen 2.812 N/A ARG 97.A NH2 GLU 93.A OE2 no hydrogen 2.926 N/A TRP 98.A N VAL 94.A O no hydrogen 3.170 N/A ALA 99.A N LYS 95.A O no hydrogen 2.892 N/A GLU 100.A N LYS 96.A O no hydrogen 2.883 N/A LYS 101.A N ARG 97.A O no hydrogen 3.210 N/A LYS 101.A NZ ASP 38.A OD1 no hydrogen 2.700 N/A LYS 101.A NZ ASP 38.A OD2 no hydrogen 3.544 N/A LYS 101.A NZ THR 42.A OG1 no hydrogen 2.869 N/A LEU 102.A N TRP 98.A O no hydrogen 2.920 N/A ARG 103.A N ALA 99.A O no hydrogen 2.875 N/A ARG 103.A NH1 ALA 109.A O no hydrogen 3.200 N/A GLY 104.A N GLU 100.A O no hydrogen 3.065 N/A ILE 105.A N LEU 102.A O no hydrogen 3.121 N/A GLY 106.A N ARG 103.A O no hydrogen 3.036 N/A VAL 107.A N LEU 102.A O no hydrogen 3.001 N/A ALA 109.A N VAL 107.A O no hydrogen 2.902 N/A PHE 110.A N LEU 141.A O no hydrogen 2.930 N/A LEU 112.A N VAL 143.A O no hydrogen 2.986 N/A GLN 113.A NE2 THR 88.A OG1 no hydrogen 2.913 N/A ALA 115.A N ASP 147.A OD2 no hydrogen 3.094 N/A ALA 116.A N GLN 113.A O no hydrogen 3.002 N/A MET 117.A N LEU 114.A O no hydrogen 2.837 N/A CYS 118.A SG.B THR 119.A O no hydrogen 3.927 N/A CYS 118.A SG.B GLN 126.A O no hydrogen 3.436 N/A THR 119.A N GLN 126.A O no hydrogen 3.141 N/A LEU 120.A N PHE 150.A O no hydrogen 2.783 N/A ARG 121.A N ILE 124.A O no hydrogen 2.991 N/A ASN 122.A N GLU 152.A OE2 no hydrogen 2.869 N/A ILE 124.A N ARG 121.A O no hydrogen 2.968 N/A GLN 126.A N THR 119.A O no hydrogen 2.743 N/A GLN 126.A NE2 ILE 124.A O no hydrogen 2.982 N/A ARG 128.A N MET 117.A O no hydrogen 2.703 N/A ARG 128.A NH1 THR 119.A OG1 no hydrogen 2.863 N/A VAL 131.A N SER 129.A OG no hydrogen 3.122 N/A ARG 133.A NH1 MET 171.A O no hydrogen 3.241 N/A ARG 133.A NH2 ASP 137.A OD1 no hydrogen 3.062 N/A ASP 134.A N GLU 130.A O no hydrogen 3.193 N/A VAL 135.A N VAL 131.A O no hydrogen 2.899 N/A LEU 136.A N LEU 132.A O no hydrogen 3.118 N/A ASP 137.A N ARG 133.A O no hydrogen 2.869 N/A HIS 138.A N ASP 134.A O no hydrogen 2.890 N/A GLY 139.A N LEU 136.A O no hydrogen 2.841 N/A ALA 140.A N VAL 135.A O no hydrogen 3.177 N/A LEU 141.A N ASP 108.A O no hydrogen 2.841 N/A VAL 143.A N PHE 110.A O no hydrogen 2.921 N/A LEU 144.A N LEU 61.A O no hydrogen 2.751 N/A ASP 147.A N PHE 159.A O no hydrogen 2.927 N/A ALA 148.A N ASP 147.A OD1 no hydrogen 2.870 N/A LEU 149.A N TRP 157.A O no hydrogen 2.926 N/A ASP 151.A N LYS 155.A O no hydrogen 2.874 N/A GLU 152.A N GLU 152.A OE1 no hydrogen 2.756 N/A HIS 153.A N ASP 151.A OD1 no hydrogen 2.862 N/A GLY 154.A N ASP 151.A O no hydrogen 3.060 N/A LYS 155.A N ASP 151.A OD1 no hydrogen 2.918 N/A TRP 157.A N LEU 149.A O no hydrogen 2.922 N/A TRP 157.A NE1 ASP 151.A OD2 no hydrogen 2.843 N/A PHE 159.A N ASP 147.A O no hydrogen 2.787 N/A ASP 162.A N SER 160.A OG no hydrogen 2.983 N/A ARG 163.A N SER 160.A O no hydrogen 2.867 N/A ARG 163.A NE GLU 166.A OE1 no hydrogen 3.478 N/A ARG 163.A NE GLU 166.A OE2 no hydrogen 2.847 N/A ARG 163.A NH2 GLU 166.A OE1 no hydrogen 2.879 N/A VAL 164.A N SER 161.A O no hydrogen 3.095 N/A GLU 166.A N ARG 163.A O no hydrogen 2.948 N/A VAL 167.A N VAL 164.A O no hydrogen 2.954 N/A LEU 168.A N PRO 165.A O no hydrogen 2.997 N/A LEU 169.A N GLU 166.A O no hydrogen 3.178 N/A MET 171.A N LEU 168.A O no hydrogen 2.880 N/A VAL 172.A N LEU 168.A O no hydrogen 2.927 N/A ARG 175.A N ASP 16.A OD2 no hydrogen 2.841 N/A ARG 175.A NE THR 14.A O no hydrogen 2.864 N/A ARG 175.A NH1 PRO 8.A O no hydrogen 2.915 N/A ARG 175.A NH2 THR 14.A O no hydrogen 3.027 N/A ARG 177.A N PHE 17.A O no hydrogen 2.846 N/A ARG 177.A NE GLU 230.A OE1 no hydrogen 2.858 N/A ARG 177.A NH1 LEU 245.A O no hydrogen 2.859 N/A ARG 177.A NH1 ALA 247.A O no hydrogen 2.748 N/A ARG 177.A NH2 GLU 230.A OE1 no hydrogen 2.859 N/A ARG 177.A NH2 ALA 247.A O no hydrogen 2.996 N/A VAL 178.A N GLU 230.A O no hydrogen 2.921 N/A VAL 179.A N ALA 19.A O no hydrogen 2.905 N/A THR 180.A N PHE 232.A O no hydrogen 2.848 N/A LEU 181.A N LYS 21.A O no hydrogen 2.759 N/A THR 182.A N MET 234.A O no hydrogen 2.860 N/A ILE 187.A N THR 259.A OG1 no hydrogen 2.834 N/A THR 189.A N THR 191.A O no hydrogen 2.675 N/A THR 191.A N THR 189.A O no hydrogen 3.000 N/A THR 191.A OG1 ILE 192.A O no hydrogen 3.469 N/A LEU 193.A N ILE 187.A O no hydrogen 2.788 N/A VAL 196.A N ARG 260.A O no hydrogen 2.821 N/A ALA 198.A N THR 262.A O no hydrogen 2.817 N/A ARG 199.A N ASP 197.A OD1 no hydrogen 2.915 N/A SER 200.A N ASP 197.A O no hydrogen 2.958 N/A SER 200.A OG GLU 202.A OE1 no hydrogen 3.329 N/A SER 200.A OG GLU 202.A OE2 no hydrogen 2.644 N/A GLU 202.A N GLU 202.A OE2 no hydrogen 2.939 N/A ALA 204.A N PRO 201.A O no hydrogen 2.961 N/A TYR 205.A N PRO 201.A O no hydrogen 3.338 N/A TYR 205.A OH ASP 219.A OD1 no hydrogen 2.622 N/A ALA 206.A N GLU 202.A O no hydrogen 3.029 N/A ALA 207.A N GLN 203.A O no hydrogen 3.181 N/A ALA 207.A N ALA 204.A O no hydrogen 3.158 N/A TRP 209.A N TYR 205.A O no hydrogen 3.360 N/A GLY 210.A N ALA 206.A O no hydrogen 3.247 N/A SER 211.A N ALA 207.A O no hydrogen 3.168 N/A LYS 217.A N ALA 213.A O no hydrogen 3.082 N/A LYS 217.A NZ ASP 162.A OD1 no hydrogen 3.540 N/A LYS 217.A NZ ASP 162.A OD2 no hydrogen 2.925 N/A LEU 218.A N MET 214.A O no hydrogen 2.855 N/A ASP 219.A N HIS 215.A O no hydrogen 2.913 N/A ALA 220.A N THR 216.A O no hydrogen 2.981 N/A LEU 221.A N LYS 217.A O no hydrogen 2.978 N/A VAL 222.A N LEU 218.A O no hydrogen 2.786 N/A THR 223.A N ASP 219.A O no hydrogen 3.053 N/A THR 223.A OG1 ASP 219.A O no hydrogen 2.891 N/A CYS 224.A N ALA 220.A O no hydrogen 2.918 N/A CYS 224.A SG ALA 220.A O no hydrogen 3.337 N/A ALA 225.A N LEU 221.A O no hydrogen 2.869 N/A ARG 226.A N VAL 222.A O no hydrogen 2.889 N/A ARG 226.A NE ALA 198.A O no hydrogen 2.637 N/A ARG 227.A N CYS 224.A O no hydrogen 3.009 N/A GLY 228.A N ALA 225.A O no hydrogen 2.938 N/A ALA 229.A N CYS 224.A O no hydrogen 3.087 N/A GLU 230.A N LEU 176.A O no hydrogen 2.953 N/A CYS 231.A N ILE 261.A O no hydrogen 3.012 N/A CYS 231.A SG LEU 221.A O no hydrogen 3.598 N/A PHE 232.A N VAL 178.A O no hydrogen 2.864 N/A ILE 233.A N THR 259.A O no hydrogen 2.934 N/A MET 234.A N THR 180.A O no hydrogen 3.046 N/A ARG 235.A NE ASP 185.A OD1 no hydrogen 3.374 N/A ARG 235.A NE ASP 185.A OD2 no hydrogen 3.446 N/A ARG 235.A NH2 ASP 185.A OD2 no hydrogen 3.318 N/A GLY 236.A N THR 182.A O no hydrogen 2.786 N/A SER 240.A N ASP 237.A O no hydrogen 2.945 N/A SER 240.A OG ASP 237.A OD2 no hydrogen 2.769 N/A GLU 243.A N ASP 241.A OD1 no hydrogen 2.827 N/A LEU 245.A N LEU 242.A O no hydrogen 2.734 N/A THR 246.A N GLU 243.A O no hydrogen 3.003 N/A THR 246.A OG1 GLU 243.A O no hydrogen 2.814 N/A ALA 247.A N PHE 244.A O no hydrogen 3.060 N/A SER 250.A N SER 11.A O no hydrogen 2.951 N/A SER 250.A OG SER 11.A O no hydrogen 3.134 N/A SER 251.A N PRO 248.A O no hydrogen 2.885 N/A TRP 252.A N PHE 249.A O no hydrogen 3.053 N/A TRP 252.A NE1 ALA 247.A O no hydrogen 3.228 N/A VAL 256.A N PRO 253.A O no hydrogen 3.228 N/A ARG 257.A NH1 ALA 254.A O no hydrogen 2.555 N/A ARG 257.A NH1 VAL 256.A O no hydrogen 3.234 N/A THR 259.A N ILE 233.A O no hydrogen 2.888 N/A THR 259.A OG1 LEU 193.A O no hydrogen 2.676 N/A ARG 260.A N PRO 194.A O no hydrogen 2.970 N/A ARG 260.A NE GLU 195.A OE1 no hydrogen 3.034 N/A ARG 260.A NE GLU 195.A OE2 no hydrogen 3.145 N/A ARG 260.A NH1 GLU 230.A OE2 no hydrogen 2.948 N/A ARG 260.A NH2 GLU 195.A OE1 no hydrogen 3.151 N/A ILE 261.A N CYS 231.A O no hydrogen 2.719 N/A THR 262.A N VAL 196.A O no hydrogen 3.235 N/A THR 262.A OG1 THR 263.A O no hydrogen 3.396 N/A