Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ioi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 14.A N LYS 11.A O no hydrogen 2.930 N/A CYS 16.A SG.A GLY 34.A O no hydrogen 3.344 N/A ARG 17.A NE ASP 19.A OD1 no hydrogen 2.925 N/A ARG 17.A NH1 ASP 19.A OD1 no hydrogen 3.485 N/A ARG 17.A NH1 ASP 19.A OD2 no hydrogen 2.906 N/A ARG 17.A NH1 VAL 263.A O no hydrogen 2.991 N/A ARG 17.A NH2 GLU 33.A O no hydrogen 2.882 N/A ASP 19.A N ASP 19.A OD1 no hydrogen 2.573 N/A THR 24.A N ALA 28.A O no hydrogen 2.759 N/A THR 24.A OG1 ALA 28.A O no hydrogen 3.488 N/A TRP 26.A N THR 24.A OG1 no hydrogen 3.221 N/A TRP 26.A NE1 PRO 243.A O no hydrogen 2.733 N/A LEU 27.A N THR 24.A O no hydrogen 2.873 N/A ALA 28.A N THR 24.A OG1 no hydrogen 3.021 N/A ILE 30.A N VAL 22.A O no hydrogen 2.828 N/A VAL 31.A N VAL 246.A O no hydrogen 2.830 N/A TRP 32.A NE1 LEU 21.A O no hydrogen 2.901 N/A GLU 33.A N GLU 250.A OE1 no hydrogen 3.196 N/A GLU 33.A N GLU 250.A OE2 no hydrogen 2.739 N/A THR 35.A N TRP 32.A O no hydrogen 3.116 N/A THR 35.A OG1 TRP 32.A O no hydrogen 2.708 N/A ILE 40.A N ASN 37.A OD1 no hydrogen 3.184 N/A LEU 41.A N ASN 37.A O no hydrogen 3.287 N/A ASN 42.A N ILE 38.A O no hydrogen 2.782 N/A GLU 43.A N ASP 39.A O no hydrogen 3.124 N/A GLN 44.A N ILE 40.A O no hydrogen 3.042 N/A PHE 45.A N LEU 41.A O no hydrogen 2.988 N/A ARG 46.A N ASN 42.A O no hydrogen 2.847 N/A ARG 46.A NH2 ASN 49.A OD1.A no hydrogen 2.952 N/A LEU 47.A N GLU 43.A O no hydrogen 2.985 N/A GLN 48.A N PHE 45.A O no hydrogen 3.226 N/A ASN 49.A N ARG 46.A O no hydrogen 2.864 N/A THR 50.A N PHE 45.A O no hydrogen 3.238 N/A THR 50.A OG1 PHE 45.A O no hydrogen 2.758 N/A THR 51.A N ASP 133.A OD1 no hydrogen 2.871 N/A ILE 52.A N ARG 82.A O no hydrogen 2.883 N/A GLY 53.A N TYR 134.A O no hydrogen 2.799 N/A LEU 54.A N HIS 84.A O no hydrogen 2.946 N/A THR 55.A N VAL 136.A O no hydrogen 2.815 N/A VAL 56.A N TYR 86.A O no hydrogen 3.070 N/A ALA 58.A N PHE 88.A O no hydrogen 2.784 N/A LYS 60.A N ASP 90.A OD1 no hydrogen 2.901 N/A LYS 60.A N ASP 90.A OD2 no hydrogen 3.329 N/A TYR 62.A N ILE 59.A O no hydrogen 3.229 N/A VAL 63.A N LYS 60.A O no hydrogen 3.388 N/A ALA 64.A N LYS 61.A O no hydrogen 3.118 N/A PHE 65.A N TYR 62.A O no hydrogen 3.014 N/A LEU 66.A N VAL 63.A O no hydrogen 3.073 N/A LYS 67.A NZ GLU 71.A OE1 no hydrogen 2.823 N/A PHE 69.A N PHE 65.A O no hydrogen 3.121 N/A LEU 70.A N LEU 66.A O no hydrogen 2.835 N/A GLU 71.A N LYS 67.A O no hydrogen 2.949 N/A THR 72.A N LEU 68.A O no hydrogen 3.019 N/A THR 72.A OG1 LEU 68.A O no hydrogen 2.833 N/A THR 72.A OG1 PHE 69.A O no hydrogen 3.206 N/A ALA 73.A N PHE 69.A O no hydrogen 2.927 N/A GLU 74.A N LEU 70.A O no hydrogen 2.980 N/A LYS 75.A N THR 72.A O no hydrogen 3.073 N/A HIS 76.A N THR 72.A O no hydrogen 3.037 N/A HIS 76.A N ALA 73.A O no hydrogen 3.236 N/A PHE 77.A N ALA 73.A O no hydrogen 2.820 N/A MET 78.A N VAL 148.A O no hydrogen 2.834 N/A HIS 81.A N MET 78.A O no hydrogen 2.998 N/A HIS 81.A NE2 ASN 42.A OD1 no hydrogen 2.808 N/A ARG 82.A NE ASN 49.A OD1.A no hydrogen 3.019 N/A VAL 83.A N GLY 103.A O no hydrogen 3.167 N/A HIS 84.A N ILE 52.A O no hydrogen 2.903 N/A HIS 84.A NE2 SER 107.A OG no hydrogen 2.749 N/A TYR 85.A N GLN 105.A O no hydrogen 2.755 N/A TYR 85.A OH GLU 74.A OE2 no hydrogen 2.568 N/A TYR 86.A N LEU 54.A O no hydrogen 2.754 N/A TYR 86.A OH GLU 131.A OE1 no hydrogen 2.649 N/A VAL 87.A N SER 107.A O no hydrogen 2.910 N/A PHE 88.A N VAL 56.A O no hydrogen 2.901 N/A THR 89.A N LEU 109.A O no hydrogen 3.031 N/A THR 89.A OG1 ALA 58.A O no hydrogen 2.704 N/A GLN 91.A N THR 89.A OG1 no hydrogen 3.004 N/A GLN 91.A NE2 LYS 60.A O no hydrogen 2.815 N/A GLN 91.A NE2 ASP 90.A OD1 no hydrogen 2.960 N/A ALA 94.A N GLN 91.A O no hydrogen 2.873 N/A VAL 95.A N PRO 92.A O no hydrogen 3.214 N/A GLY 101.A N GLU 74.A OE1 no hydrogen 2.773 N/A ARG 104.A NE GLU 74.A OE2 no hydrogen 2.797 N/A ARG 104.A NH1 PHE 77.A O no hydrogen 3.023 N/A ARG 104.A NH1 MET 78.A O no hydrogen 3.264 N/A ARG 104.A NH2 GLU 74.A OE2 no hydrogen 3.539 N/A ARG 104.A NH2 PHE 77.A O no hydrogen 2.813 N/A ARG 104.A NH2 TYR 85.A OH no hydrogen 2.939 N/A GLN 105.A N VAL 83.A O no hydrogen 2.939 N/A SER 107.A N TYR 85.A O no hydrogen 2.863 N/A SER 107.A OG HIS 84.A NE2 no hydrogen 2.749 N/A LEU 109.A N VAL 87.A O no hydrogen 2.800 N/A VAL 111.A N THR 89.A O no hydrogen 2.792 N/A ARG 116.A NH1 ASP 139.A OD1 no hydrogen 2.833 N/A ARG 116.A NH2 ASP 139.A OD1 no hydrogen 3.432 N/A ARG 116.A NH2 ASP 230.A OD2 no hydrogen 3.170 N/A MET 117.A N MET 114.A O no hydrogen 3.133 N/A MET 119.A N ARG 115.A O no hydrogen 3.228 N/A ILE 120.A N ARG 116.A O no hydrogen 2.988 N/A SER 121.A N MET 117.A O no hydrogen 3.121 N/A SER 121.A OG MET 117.A O no hydrogen 3.118 N/A SER 121.A OG GLU 118.A O no hydrogen 3.395 N/A ASP 122.A N GLU 118.A O no hydrogen 3.055 N/A CYS 124.A SG MET 119.A O no hydrogen 3.666 N/A GLU 125.A N ASP 122.A O no hydrogen 3.426 N/A ARG 127.A NE GLU 131.A OE1 no hydrogen 3.051 N/A PHE 128.A N CYS 124.A O no hydrogen 2.980 N/A LEU 129.A N GLU 125.A O no hydrogen 3.221 N/A SER 130.A N ARG 126.A O no hydrogen 3.218 N/A SER 130.A N ARG 127.A O no hydrogen 3.252 N/A SER 130.A OG.A ARG 126.A O no hydrogen 3.260 N/A SER 130.A OG.A ARG 127.A O no hydrogen 2.959 N/A SER 130.A OG.B ARG 126.A O no hydrogen 2.980 N/A GLU 131.A N PHE 128.A O no hydrogen 3.204 N/A VAL 132.A N PHE 128.A O no hydrogen 3.100 N/A ASP 133.A N THR 51.A O no hydrogen 2.860 N/A TYR 134.A N THR 51.A O no hydrogen 3.289 N/A LEU 135.A N GLY 200.A O no hydrogen 2.818 N/A VAL 136.A N GLY 53.A O no hydrogen 2.810 N/A CYS 137.A N PHE 198.A O no hydrogen 2.818 N/A CYS 137.A SG THR 55.A OG1 no hydrogen 3.396 N/A VAL 138.A N THR 55.A O no hydrogen 3.180 N/A ASP 139.A N ALA 196.A O no hydrogen 3.078 N/A GLU 143.A N THR 270.A O no hydrogen 2.820 N/A PHE 144.A N THR 72.A OG1 no hydrogen 2.907 N/A ARG 145.A N ARG 268.A O no hydrogen 2.747 N/A ARG 145.A NE.B THR 270.A OG1 no hydrogen 2.991 N/A ARG 145.A NH1.A GLN 255.A OE1 no hydrogen 2.888 N/A ARG 145.A NH1.B GLN 255.A OE1 no hydrogen 2.417 N/A ARG 145.A NH2.A GLN 255.A OE1 no hydrogen 2.906 N/A ARG 145.A NH2.B GLN 255.A OE1 no hydrogen 2.943 N/A ASP 146.A N ARG 268.A O no hydrogen 3.339 N/A HIS 147.A N ASP 146.A OD1 no hydrogen 2.730 N/A HIS 147.A NE2 GLU 151.A OE1 no hydrogen 2.715 N/A VAL 148.A N HIS 76.A O no hydrogen 2.940 N/A GLY 149.A N GLU 151.A OE2 no hydrogen 2.896 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.799 N/A ILE 152.A N GLY 149.A O no hydrogen 3.070 N/A LEU 153.A N VAL 150.A O no hydrogen 2.978 N/A THR 154.A OG1 THR 244.A OG1 no hydrogen 2.645 N/A LEU 156.A N THR 244.A OG1 no hydrogen 3.005 N/A PHE 157.A N GLY 199.A O no hydrogen 2.812 N/A THR 159.A OG1 PHE 197.A O no hydrogen 2.834 N/A LEU 160.A N LEU 247.A O no hydrogen 2.910 N/A HIS 161.A N TYR 192.A O no hydrogen 2.907 N/A GLY 163.A N HIS 161.A ND1 no hydrogen 2.938 N/A PHE 164.A N HIS 161.A O no hydrogen 3.234 N/A SER 167.A N PHE 164.A O no hydrogen 2.968 N/A SER 168.A OG.B GLU 170.A OE1 no hydrogen 2.791 N/A ARG 169.A NE GLY 189.A O no hydrogen 2.808 N/A ARG 169.A NH2 GLY 189.A O no hydrogen 2.924 N/A ALA 171.A N SER 168.A O no hydrogen 2.927 N/A PHE 172.A N ARG 169.A O no hydrogen 3.051 N/A THR 173.A OG1 TYR 192.A OH no hydrogen 3.307 N/A TYR 174.A OH PHE 191.A O no hydrogen 2.678 N/A ARG 176.A NH1 ILE 184.A O no hydrogen 2.806 N/A ARG 176.A NH2 ARG 169.A O no hydrogen 2.939 N/A ARG 176.A NH2 PHE 172.A O no hydrogen 3.039 N/A ARG 177.A N GLU 175.A OE2 no hydrogen 2.847 N/A ARG 177.A NE GLU 175.A OE2 no hydrogen 2.774 N/A ARG 177.A NH2 GLU 175.A OE1 no hydrogen 3.039 N/A ARG 177.A NH2 GLU 225.A O no hydrogen 2.802 N/A SER 180.A N ARG 177.A O no hydrogen 3.002 N/A SER 180.A OG ASP 219.A OD2 no hydrogen 2.700 N/A GLN 181.A N ASP 219.A OD1 no hydrogen 2.804 N/A ALA 182.A N SER 180.A OG no hydrogen 3.006 N/A TYR 183.A N SER 180.A O no hydrogen 3.098 N/A ILE 184.A N GLU 175.A O no hydrogen 2.994 N/A LYS 186.A NZ GLU 170.A O no hydrogen 2.729 N/A GLU 188.A N PRO 185.A O no hydrogen 3.041 N/A TYR 192.A OH GLU 231.A OE1 no hydrogen 2.650 N/A TYR 193.A N ASN 235.A OD1 no hydrogen 2.853 N/A GLY 194.A N THR 159.A O no hydrogen 2.837 N/A GLY 195.A N GLU 231.A OE2 no hydrogen 2.773 N/A PHE 198.A N CYS 137.A O no hydrogen 3.151 N/A GLY 199.A N PHE 157.A O no hydrogen 3.157 N/A GLY 200.A N LEU 135.A O no hydrogen 2.952 N/A SER 201.A N PRO 155.A O no hydrogen 2.868 N/A VAL 202.A N ASP 133.A O no hydrogen 3.197 N/A GLU 204.A N SER 201.A OG no hydrogen 3.146 N/A VAL 205.A N SER 201.A O no hydrogen 2.906 N/A GLN 206.A N VAL 202.A O no hydrogen 2.858 N/A GLN 206.A NE2 GLU 125.A O no hydrogen 2.894 N/A ARG 207.A N GLN 203.A O no hydrogen 3.003 N/A LEU 208.A N GLU 204.A O no hydrogen 2.927 N/A THR 209.A N VAL 205.A O no hydrogen 2.866 N/A THR 209.A OG1 VAL 205.A O no hydrogen 2.971 N/A THR 209.A OG1 GLN 206.A O no hydrogen 3.356 N/A ARG 210.A N GLN 206.A O no hydrogen 2.938 N/A ARG 210.A NH2.A GLU 125.A OE2 no hydrogen 3.521 N/A ALA 211.A N ARG 207.A O no hydrogen 2.952 N/A CYS 212.A N LEU 208.A O no hydrogen 2.889 N/A CYS 212.A SG LEU 208.A O no hydrogen 3.432 N/A HIS 213.A N THR 209.A O no hydrogen 2.884 N/A GLN 214.A N ARG 210.A O no hydrogen 2.884 N/A ALA 215.A N ALA 211.A O no hydrogen 2.943 N/A MET 216.A N CYS 212.A O no hydrogen 2.828 N/A MET 217.A N HIS 213.A O no hydrogen 2.948 N/A VAL 218.A N GLN 214.A O no hydrogen 2.995 N/A ASP 219.A N ALA 215.A O no hydrogen 3.009 N/A GLN 220.A N MET 216.A O no hydrogen 2.921 N/A ALA 221.A N MET 217.A O no hydrogen 3.004 N/A ASN 222.A N VAL 218.A O no hydrogen 3.085 N/A ASN 222.A N ASP 219.A O no hydrogen 3.007 N/A GLY 223.A N GLN 220.A O no hydrogen 3.081 N/A ILE 224.A N ASP 219.A O no hydrogen 2.883 N/A VAL 227.A N GLU 175.A OE1 no hydrogen 2.788 N/A TRP 228.A N SER 232.A OG no hydrogen 2.926 N/A HIS 229.A N ALA 226.A O no hydrogen 2.917 N/A GLU 231.A N TRP 228.A O no hydrogen 3.003 N/A HIS 233.A N HIS 229.A O no hydrogen 3.408 N/A LEU 234.A N ASP 230.A O no hydrogen 2.843 N/A ASN 235.A N GLU 231.A O no hydrogen 2.973 N/A ASN 235.A ND2 TYR 193.A O no hydrogen 2.844 N/A ASN 235.A ND2 GLU 231.A O no hydrogen 2.941 N/A LYS 236.A N SER 232.A O no hydrogen 3.063 N/A LYS 236.A NZ GLN 181.A O no hydrogen 2.950 N/A LYS 236.A NZ TYR 183.A O no hydrogen 2.710 N/A TYR 237.A N HIS 233.A O no hydrogen 2.859 N/A LEU 238.A N LEU 234.A O no hydrogen 2.913 N/A LEU 239.A N ASN 235.A O no hydrogen 3.031 N/A ARG 240.A N LYS 236.A O no hydrogen 3.227 N/A ARG 240.A NH1.B GLU 188.A OE2 no hydrogen 2.731 N/A ARG 240.A NH2.A GLU 188.A OE2 no hydrogen 3.269 N/A ARG 240.A NH2.B GLU 188.A OE2 no hydrogen 3.211 N/A HIS 241.A N TYR 237.A O no hydrogen 2.798 N/A HIS 241.A ND1 TYR 237.A O no hydrogen 2.850 N/A LYS 242.A NZ ASP 190.A OD2 no hydrogen 2.744 N/A LYS 242.A NZ LEU 239.A O no hydrogen 2.848 N/A THR 244.A N LEU 156.A O no hydrogen 2.734 N/A THR 244.A OG1 THR 154.A OG1 no hydrogen 2.645 N/A THR 244.A OG1 LEU 156.A O no hydrogen 3.081 N/A LYS 245.A N LEU 156.A O no hydrogen 3.356 N/A LYS 245.A NZ GLU 151.A O no hydrogen 2.778 N/A LYS 245.A NZ LEU 153.A O no hydrogen 2.748 N/A VAL 246.A N PRO 29.A O no hydrogen 2.929 N/A LEU 247.A N GLY 158.A O no hydrogen 2.840 N/A SER 248.A N VAL 31.A O no hydrogen 3.092 N/A SER 248.A OG VAL 31.A O no hydrogen 2.751 N/A GLU 250.A N SER 248.A OG no hydrogen 3.353 N/A TYR 251.A N SER 248.A O no hydrogen 3.007 N/A TYR 251.A OH GLU 151.A OE2 no hydrogen 2.692 N/A LEU 252.A N PRO 249.A O no hydrogen 3.057 N/A TRP 253.A N PHE 269.A O no hydrogen 2.968 N/A TRP 253.A NE1 GLY 259.A O no hydrogen 2.714 N/A LEU 257.A N ASP 254.A OD1 no hydrogen 3.040 N/A LEU 258.A N ASP 254.A O no hydrogen 2.962 N/A GLY 259.A N GLN 255.A O no hydrogen 2.821 N/A TRP 260.A NE1 LEU 264.A O no hydrogen 2.736 N/A LEU 264.A N PRO 261.A O no hydrogen 2.989 N/A ARG 268.A N GLU 250.A O no hydrogen 2.837 N/A ARG 268.A NE GLU 250.A OE1 no hydrogen 2.768 N/A ARG 268.A NH1 HIS 147.A O no hydrogen 2.888 N/A ARG 268.A NH2 GLU 33.A OE1 no hydrogen 2.860 N/A ARG 268.A NH2 GLU 250.A OE1 no hydrogen 2.917 N/A THR 270.A N GLU 143.A O no hydrogen 2.884 N/A ALA 271.A N TRP 253.A O no hydrogen 2.875 N/A VAL 272.A N ASP 141.A O no hydrogen 3.041 N/A LYS 274.A NZ ASP 141.A OD2 no hydrogen 3.150 N/A