Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4keq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N GLU 39.A O no hydrogen 2.986 N/A VAL 4.A N TYR 265.A O no hydrogen 2.955 N/A TYR 5.A N LEU 37.A O no hydrogen 2.760 N/A LEU 7.A N SER 35.A O no hydrogen 3.053 N/A GLY 9.A N VAL 33.A O no hydrogen 2.798 N/A GLY 10.A N ASP 8.A OD1 no hydrogen 3.408 N/A SER 11.A N ILE 66.A O no hydrogen 2.882 N/A LEU 12.A N PHE 31.A O no hydrogen 2.909 N/A VAL 13.A N GLU 63.A O no hydrogen 2.604 N/A LEU 14.A N VAL 29.A O no hydrogen 2.972 N/A ASP 15.A N HIS 18.A ND1 no hydrogen 3.072 N/A GLY 16.A N GLY 27.A O no hydrogen 3.006 N/A TYR 17.A N ASP 15.A OD1 no hydrogen 2.871 N/A HIS 18.A N ASP 15.A O no hydrogen 2.967 N/A VAL 19.A N ASP 15.A O no hydrogen 3.363 N/A PHE 20.A N GLY 16.A O no hydrogen 2.897 N/A TRP 21.A N GLN 218.A O no hydrogen 3.143 N/A GLY 24.A N PHE 20.A O no hydrogen 2.934 N/A GLY 27.A N ASP 15.A OD2 no hydrogen 3.220 N/A VAL 29.A N LEU 14.A O no hydrogen 2.799 N/A ARG 30.A NH1 SER 11.A OG no hydrogen 2.942 N/A ARG 30.A NH1 LYS 64.A O no hydrogen 3.159 N/A ARG 30.A NH2 LYS 64.A O no hydrogen 3.377 N/A PHE 31.A N LEU 12.A O no hydrogen 2.930 N/A VAL 33.A N GLY 10.A O no hydrogen 2.879 N/A TYR 34.A OH TYR 248.A O no hydrogen 2.761 N/A SER 35.A N LEU 7.A O no hydrogen 3.035 N/A SER 35.A OG ASP 48.A O no hydrogen 3.169 N/A ILE 36.A N ILE 47.A O no hydrogen 2.999 N/A LEU 37.A N TYR 5.A O no hydrogen 2.804 N/A ILE 38.A N PHE 45.A O no hydrogen 2.748 N/A GLU 39.A N LYS 3.A O no hydrogen 3.003 N/A HIS 40.A N GLY 43.A O no hydrogen 3.079 N/A HIS 40.A NE2 ARG 173.A O no hydrogen 2.590 N/A GLU 42.A N HIS 40.A ND1 no hydrogen 3.060 N/A GLY 43.A N HIS 40.A O no hydrogen 2.951 N/A ARG 44.A N ASP 88.A OD2 no hydrogen 2.920 N/A ARG 44.A NE GLU 39.A OE2 no hydrogen 2.785 N/A ARG 44.A NH2 GLU 39.A OE2 no hydrogen 3.476 N/A PHE 45.A N ILE 38.A O no hydrogen 2.864 N/A LEU 46.A N VAL 89.A O no hydrogen 2.813 N/A ILE 47.A N ILE 36.A O no hydrogen 2.766 N/A ASP 48.A N VAL 91.A O no hydrogen 2.688 N/A THR 49.A N HIS 99.A O no hydrogen 3.178 N/A THR 49.A OG1 ASN 103.A OD1 no hydrogen 2.863 N/A TYR 51.A OH SER 11.A O no hydrogen 2.806 N/A HIS 55.A N ASP 52.A OD1 no hydrogen 2.956 N/A HIS 55.A NE2 SER 133.A OG no hydrogen 2.843 N/A VAL 56.A N ASP 52.A O no hydrogen 3.097 N/A MET 57.A N TYR 53.A O no hydrogen 3.011 N/A LYS 58.A N ASP 54.A O no hydrogen 2.972 N/A VAL 59.A N HIS 55.A O no hydrogen 2.907 N/A LEU 60.A N VAL 56.A O no hydrogen 2.614 N/A GLU 63.A N LEU 60.A O no hydrogen 2.766 N/A LYS 64.A N PRO 61.A O no hydrogen 2.898 N/A LYS 64.A NZ GLU 28.A OE1 no hydrogen 2.311 N/A LYS 64.A NZ GLU 28.A OE2 no hydrogen 3.289 N/A ILE 66.A N SER 11.A O no hydrogen 3.253 N/A GLN 67.A NE2 GLY 9.A O no hydrogen 3.002 N/A GLN 67.A NE2 TYR 51.A O no hydrogen 3.299 N/A GLU 68.A N GLN 71.A OE1 no hydrogen 3.232 N/A HIS 70.A N HIS 70.A ND1 no hydrogen 2.995 N/A GLN 71.A N GLU 68.A O no hydrogen 2.767 N/A GLN 71.A NE2 ASP 8.A OD2 no hydrogen 2.776 N/A THR 72.A OG1 LYS 69.A O no hydrogen 3.312 N/A GLY 75.A N THR 72.A OG1 no hydrogen 3.036 N/A ALA 76.A N THR 72.A O no hydrogen 2.799 N/A LEU 77.A N ILE 73.A O no hydrogen 2.968 N/A GLY 78.A N PRO 74.A O no hydrogen 2.896 N/A LEU 79.A N GLY 75.A O no hydrogen 3.313 N/A LEU 79.A N ALA 76.A O no hydrogen 3.349 N/A LEU 80.A N LEU 77.A O no hydrogen 2.870 N/A GLY 81.A N GLY 78.A O no hydrogen 3.101 N/A LEU 82.A N LEU 77.A O no hydrogen 3.067 N/A GLU 83.A N ASP 86.A OD2 no hydrogen 2.632 N/A ASP 86.A N GLU 83.A O no hydrogen 2.783 N/A ILE 87.A N PRO 84.A O no hydrogen 3.162 N/A ASP 88.A N ARG 44.A O no hydrogen 2.869 N/A VAL 89.A N ARG 44.A O no hydrogen 3.228 N/A VAL 90.A N LYS 110.A O no hydrogen 2.846 N/A VAL 91.A N LEU 46.A O no hydrogen 2.768 N/A ASN 92.A N ILE 112.A O no hydrogen 2.982 N/A ASN 92.A ND2 HIS 99.A O no hydrogen 3.003 N/A ASN 92.A ND2 ASN 103.A OD1 no hydrogen 2.871 N/A SER 93.A N.A ASP 48.A OD2 no hydrogen 2.905 N/A SER 93.A N.B ASP 48.A OD2 no hydrogen 2.872 N/A SER 93.A OG.A ASP 48.A OD1 no hydrogen 2.923 N/A SER 93.A OG.A ASP 48.A OD2 no hydrogen 3.010 N/A SER 93.A OG.A HIS 94.A ND1 no hydrogen 2.758 N/A SER 93.A OG.B TYR 188.A O no hydrogen 2.481 N/A HIS 94.A ND1 SER 93.A OG.A no hydrogen 2.758 N/A HIS 94.A NE2 ASP 205.A OD2 no hydrogen 3.074 N/A PHE 95.A N GLU 117.A OE1 no hydrogen 3.296 N/A PHE 97.A N GLY 131.A O no hydrogen 2.875 N/A HIS 99.A N HIS 96.A O no hydrogen 2.916 N/A HIS 99.A ND1 ASP 48.A OD1 no hydrogen 2.851 N/A CYS 100.A SG PHE 95.A O no hydrogen 3.646 N/A CYS 100.A SG HIS 96.A O no hydrogen 3.381 N/A CYS 100.A SG ASP 134.A O no hydrogen 4.039 N/A GLY 101.A N GLY 50.A O no hydrogen 2.704 N/A GLY 102.A N THR 49.A OG1 no hydrogen 2.920 N/A ASN 103.A N CYS 100.A O no hydrogen 3.438 N/A ASN 103.A ND2 ASN 92.A OD1 no hydrogen 2.860 N/A LYS 104.A NZ ASP 52.A OD2 no hydrogen 2.414 N/A TYR 105.A N GLY 102.A O no hydrogen 3.157 N/A PHE 106.A N ASN 103.A O no hydrogen 2.995 N/A ALA 109.A N PHE 106.A O no hydrogen 3.094 N/A LYS 110.A N ASP 88.A O no hydrogen 3.028 N/A LYS 111.A NZ PHE 106.A O no hydrogen 2.736 N/A LYS 111.A NZ ALA 109.A O no hydrogen 3.157 N/A LYS 111.A NZ ASN 159.A O no hydrogen 2.554 N/A ILE 112.A N VAL 90.A O no hydrogen 2.982 N/A CYS 113.A N GLU 163.A O no hydrogen 3.261 N/A CYS 113.A SG HIS 114.A O no hydrogen 3.372 N/A ARG 115.A N ILE 165.A O no hydrogen 2.737 N/A SER 116.A N HIS 114.A ND1 no hydrogen 2.984 N/A SER 116.A OG HIS 114.A ND1 no hydrogen 2.808 N/A GLU 117.A N HIS 114.A O no hydrogen 2.993 N/A GLN 120.A N SER 116.A O no hydrogen 3.001 N/A GLN 120.A NE2 GLU 128.A OE2 no hydrogen 2.677 N/A ALA 121.A N GLU 117.A O no hydrogen 2.862 N/A CYS 122.A N VAL 118.A O no hydrogen 2.973 N/A CYS 122.A SG VAL 118.A O no hydrogen 3.287 N/A ASN 123.A N PRO 119.A O no hydrogen 3.132 N/A ASN 123.A N GLN 120.A O no hydrogen 3.173 N/A GLN 125.A N GLU 128.A OE2 no hydrogen 2.909 N/A GLU 128.A N GLN 125.A O no hydrogen 2.820 N/A TYR 132.A N GLU 128.A O no hydrogen 2.905 N/A TYR 132.A OH GLU 117.A OE1 no hydrogen 2.800 N/A SER 133.A OG HIS 55.A NE2 no hydrogen 2.843 N/A SER 133.A OG LEU 130.A O no hydrogen 2.731 N/A LEU 135.A N GLN 150.A OE1 no hydrogen 2.670 N/A SER 136.A N ASP 134.A OD2 no hydrogen 3.042 N/A SER 136.A OG ASP 134.A OD2 no hydrogen 2.777 N/A SER 138.A N LEU 135.A O no hydrogen 3.057 N/A ALA 139.A N SER 160.A OG no hydrogen 3.152 N/A ALA 141.A N SER 138.A OG no hydrogen 3.053 N/A ALA 142.A N SER 138.A O no hydrogen 2.967 N/A GLU 143.A N ALA 139.A O no hydrogen 3.063 N/A ALA 144.A N GLU 140.A O no hydrogen 3.094 N/A ARG 145.A N ALA 141.A O no hydrogen 3.072 N/A ARG 145.A NH1 ALA 121.A O no hydrogen 2.695 N/A ARG 145.A NH1 TYR 132.A O no hydrogen 2.853 N/A ARG 145.A NH2 HIS 129.A O no hydrogen 3.368 N/A ARG 145.A NH2 TYR 132.A O no hydrogen 2.832 N/A GLY 146.A N GLU 143.A O no hydrogen 2.877 N/A ALA 147.A N ALA 142.A O no hydrogen 2.667 N/A GLN 150.A N ALA 147.A O no hydrogen 2.846 N/A GLN 150.A NE2 SER 133.A O no hydrogen 2.868 N/A LEU 151.A N THR 148.A O no hydrogen 3.024 N/A THR 155.A N LEU 152.A O no hydrogen 2.863 N/A THR 155.A OG1 LEU 152.A O no hydrogen 2.706 N/A THR 156.A N ASN 159.A OD1 no hydrogen 2.657 N/A ARG 157.A NE GLU 143.A OE1 no hydrogen 3.291 N/A ARG 157.A NH2 GLU 143.A OE1 no hydrogen 3.210 N/A ASN 159.A N THR 156.A OG1 no hydrogen 3.151 N/A ASN 159.A ND2 GLY 154.A O no hydrogen 2.529 N/A SER 160.A N ARG 157.A O no hydrogen 3.439 N/A SER 160.A OG THR 156.A O no hydrogen 2.664 N/A THR 161.A OG1 ARG 157.A O no hydrogen 2.762 N/A GLU 163.A N LYS 111.A O no hydrogen 2.876 N/A ILE 165.A N CYS 113.A O no hydrogen 2.864 N/A VAL 169.A N LEU 177.A O no hydrogen 3.039 N/A LEU 171.A N VAL 175.A O no hydrogen 2.696 N/A ALA 172.A N VAL 175.A O no hydrogen 3.430 N/A ARG 173.A N GLU 42.A OE2 no hydrogen 2.912 N/A VAL 175.A N ALA 172.A O no hydrogen 3.022 N/A LYS 176.A N LEU 191.A O no hydrogen 2.905 N/A LEU 177.A N VAL 169.A O no hydrogen 2.694 N/A ILE 178.A N SER 189.A O no hydrogen 2.725 N/A SER 179.A N ASP 168.A OD1 no hydrogen 2.716 N/A THR 180.A N HIS 187.A O no hydrogen 2.793 N/A THR 180.A OG1 HIS 187.A ND1 no hydrogen 2.915 N/A THR 180.A OG1 HIS 187.A O no hydrogen 3.296 N/A THR 180.A OG1 SER 189.A OG no hydrogen 2.895 N/A GLY 182.A N SER 184.A O no hydrogen 3.099 N/A SER 184.A OG GLU 117.A OE2 no hydrogen 2.772 N/A GLY 186.A N GLU 117.A OE2 no hydrogen 2.740 N/A HIS 187.A N SER 184.A O no hydrogen 3.443 N/A HIS 187.A ND1 THR 180.A OG1 no hydrogen 2.915 N/A TYR 188.A N SER 93.A O.A no hydrogen 3.097 N/A TYR 188.A N SER 93.A O.B no hydrogen 3.093 N/A TYR 188.A OH GLY 167.A O no hydrogen 2.666 N/A SER 189.A N ILE 178.A O no hydrogen 2.785 N/A SER 189.A OG THR 180.A OG1 no hydrogen 2.895 N/A SER 189.A OG THR 203.A O no hydrogen 2.833 N/A LEU 190.A N PHE 202.A O no hydrogen 2.858 N/A LEU 191.A N LYS 176.A O no hydrogen 2.782 N/A VAL 192.A N ILE 200.A O no hydrogen 2.855 N/A GLU 193.A N GLY 174.A O no hydrogen 2.646 N/A ARG 196.A NH1 ASP 1.A OD1 no hydrogen 2.841 N/A ARG 196.A NH2 ASP 1.A OD1 no hydrogen 2.946 N/A ARG 197.A NH1 LYS 198.A O no hydrogen 2.728 N/A ARG 197.A NH1 GLU 245.A OE1 no hydrogen 2.357 N/A ARG 197.A NH2 GLU 245.A OE1 no hydrogen 2.800 N/A ILE 200.A N VAL 192.A O no hydrogen 2.768 N/A LEU 201.A N GLU 245.A O no hydrogen 2.845 N/A PHE 202.A N LEU 190.A O no hydrogen 2.684 N/A THR 203.A N MET 247.A O no hydrogen 3.138 N/A THR 203.A OG1 ILE 204.A O no hydrogen 3.338 N/A THR 203.A OG1 ALA 207.A O no hydrogen 2.796 N/A THR 203.A OG1 MET 247.A O no hydrogen 3.453 N/A ASP 205.A N HIS 187.A NE2 no hydrogen 2.954 N/A ALA 206.A N THR 203.A O no hydrogen 3.110 N/A THR 209.A N SER 212.A OG no hydrogen 3.263 N/A THR 209.A OG1 SER 212.A OG no hydrogen 2.890 N/A GLN 210.A N ASP 251.A OD2 no hydrogen 3.109 N/A GLN 210.A NE2 GLU 214.A OE1 no hydrogen 3.065 N/A SER 212.A N THR 209.A OG1 no hydrogen 2.898 N/A SER 212.A OG THR 209.A OG1 no hydrogen 2.890 N/A LEU 213.A N THR 209.A O no hydrogen 3.258 N/A GLU 214.A N GLN 210.A O no hydrogen 2.899 N/A THR 215.A N LYS 211.A O no hydrogen 3.179 N/A THR 215.A OG1 LYS 211.A O no hydrogen 2.938 N/A LEU 216.A N LEU 213.A O no hydrogen 3.429 N/A CYS 217.A N SER 212.A O no hydrogen 2.941 N/A CYS 217.A SG TRP 21.A O no hydrogen 3.731 N/A CYS 217.A SG GLN 218.A O no hydrogen 3.977 N/A GLN 218.A NE2 PRO 225.A O no hydrogen 2.944 N/A ALA 220.A N HIS 18.A O no hydrogen 2.720 N/A ILE 223.A N GLY 182.A O no hydrogen 2.865 N/A ASP 224.A N GLY 182.A O no hydrogen 3.001 N/A VAL 226.A N ASP 224.A OD1 no hydrogen 3.244 N/A ALA 227.A N ASP 224.A OD1 no hydrogen 3.382 N/A GLY 228.A N ASP 224.A O no hydrogen 2.876 N/A VAL 229.A N PRO 225.A O no hydrogen 3.153 N/A ASN 230.A N VAL 226.A O no hydrogen 3.069 N/A SER 231.A N ALA 227.A O no hydrogen 2.889 N/A SER 231.A OG PRO 181.A O no hydrogen 2.536 N/A SER 231.A OG ALA 227.A O no hydrogen 3.107 N/A MET 232.A N GLY 228.A O no hydrogen 3.202 N/A ARG 233.A N VAL 229.A O no hydrogen 2.973 N/A LYS 234.A N ASN 230.A O no hydrogen 2.842 N/A LYS 234.A NZ ASP 168.A OD1 no hydrogen 2.977 N/A LYS 234.A NZ ASP 168.A OD2 no hydrogen 3.298 N/A LYS 234.A NZ SER 179.A O no hydrogen 2.968 N/A VAL 235.A N SER 231.A O no hydrogen 2.962 N/A LYS 236.A N MET 232.A O no hydrogen 2.889 N/A LYS 236.A NZ LEU 213.A O no hydrogen 3.189 N/A LYS 237.A N ARG 233.A O no hydrogen 3.097 N/A LEU 238.A N LYS 234.A O no hydrogen 3.034 N/A ALA 239.A N VAL 235.A O no hydrogen 3.138 N/A GLU 240.A N LYS 236.A O no hydrogen 3.168 N/A ASP 241.A N LYS 237.A O no hydrogen 2.809 N/A HIS 242.A N LEU 238.A O no hydrogen 2.943 N/A ALA 244.A N ALA 239.A O no hydrogen 3.278 N/A GLU 245.A N PRO 199.A O no hydrogen 2.935 N/A MET 247.A N LEU 201.A O no hydrogen 2.937 N/A TYR 248.A N TYR 258.A OH no hydrogen 3.061 N/A SER 249.A OG ILE 204.A O no hydrogen 2.736 N/A SER 249.A OG ASP 205.A OD1 no hydrogen 3.513 N/A HIS 250.A N TYR 208.A O no hydrogen 2.983 N/A HIS 250.A ND1 PRO 32.A O no hydrogen 2.937 N/A HIS 250.A NE2 ASP 205.A OD1 no hydrogen 2.924 N/A ASN 254.A N ASP 251.A OD1 no hydrogen 3.391 N/A ASN 254.A ND2 GLN 210.A OE1 no hydrogen 2.992 N/A ASN 254.A ND2 ASP 251.A OD2 no hydrogen 2.739 N/A PHE 255.A N ASP 251.A O no hydrogen 2.655 N/A LYS 256.A N MET 252.A O no hydrogen 3.259 N/A THR 257.A N ASN 254.A O no hydrogen 3.164 N/A THR 257.A OG1 ASN 254.A O no hydrogen 2.775 N/A TYR 258.A N PHE 255.A O no hydrogen 2.776 N/A ARG 259.A N TYR 265.A OH no hydrogen 2.748 N/A ARG 259.A NH1 PHE 264.A O no hydrogen 2.606 N/A GLN 263.A N THR 260.A O no hydrogen 3.346 N/A TYR 265.A N VAL 4.A O no hydrogen 2.943 N/A