Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aw9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ GLN 113.A O no hydrogen 3.284 N/A HIS 4.A ND1 GLY 260.A O no hydrogen 2.520 N/A TRP 5.A N HIS 115.A O no hydrogen 2.872 N/A VAL 6.A N GLN 40.A O no hydrogen 2.979 N/A VAL 7.A N PHE 117.A O no hydrogen 2.915 N/A ILE 8.A N VAL 42.A O no hydrogen 2.780 N/A VAL 9.A N TYR 119.A O no hydrogen 2.825 N/A ALA 10.A N MET 44.A O no hydrogen 2.870 N/A GLY 11.A N THR 121.A O no hydrogen 3.193 N/A SER 12.A OG HIS 20.A ND1 no hydrogen 2.837 N/A SER 12.A OG ASP 122.A OD1 no hydrogen 2.515 N/A GLY 14.A N ASP 48.A OD2 no hydrogen 2.763 N/A TRP 15.A NE1 ARG 200.A O no hydrogen 2.735 N/A ASN 17.A N GLY 14.A O no hydrogen 2.963 N/A ASN 17.A ND2 ASN 13.A O no hydrogen 2.952 N/A TYR 18.A N TRP 15.A O no hydrogen 3.096 N/A ARG 19.A NE ASP 206.A OD2 no hydrogen 3.090 N/A HIS 20.A N ASN 17.A O no hydrogen 3.122 N/A HIS 20.A ND1 SER 12.A OG no hydrogen 2.837 N/A GLN 21.A NE2 ASP 48.A OD1 no hydrogen 2.778 N/A ALA 22.A N TYR 18.A O no hydrogen 3.071 N/A ASP 23.A N ARG 19.A O no hydrogen 2.765 N/A ALA 24.A N HIS 20.A O no hydrogen 3.061 N/A CYS 25.A N GLN 21.A O no hydrogen 2.909 N/A CYS 25.A SG GLN 21.A O no hydrogen 3.297 N/A HIS 26.A N ALA 22.A O no hydrogen 3.073 N/A HIS 26.A NE2 ASP 217.A OD2 no hydrogen 2.607 N/A ALA 27.A N ASP 23.A O no hydrogen 2.933 N/A TYR 28.A N ALA 24.A O no hydrogen 3.107 N/A TYR 28.A OH ASP 38.A OD1 no hydrogen 2.687 N/A TYR 28.A OH ASP 38.A OD2 no hydrogen 3.428 N/A TYR 28.A OH GLY 73.A O no hydrogen 3.360 N/A GLN 29.A N CYS 25.A O no hydrogen 3.176 N/A GLN 29.A NE2 VAL 70.A O no hydrogen 2.743 N/A GLN 29.A NE2 GLN 72.A O no hydrogen 2.960 N/A ILE 30.A N HIS 26.A O no hydrogen 3.230 N/A ILE 31.A N ALA 27.A O no hydrogen 3.203 N/A HIS 32.A N TYR 28.A O no hydrogen 2.797 N/A ARG 33.A N GLN 29.A O no hydrogen 2.790 N/A ARG 33.A NH1 ARG 33.A O no hydrogen 3.181 N/A ASN 34.A N ILE 30.A O no hydrogen 3.150 N/A ASN 34.A N ILE 31.A O no hydrogen 3.373 N/A ASN 34.A ND2 ILE 30.A O no hydrogen 2.720 N/A GLN 40.A N PRO 37.A O no hydrogen 3.035 N/A ILE 41.A N ASP 38.A O no hydrogen 3.050 N/A VAL 42.A N VAL 6.A O no hydrogen 2.815 N/A VAL 43.A N ASP 77.A OD2 no hydrogen 2.967 N/A MET 44.A N ILE 8.A O no hydrogen 2.728 N/A MET 45.A N TYR 78.A O no hydrogen 3.103 N/A ASP 47.A N GLN 21.A OE1 no hydrogen 2.847 N/A SER 52.A N ILE 49.A O no hydrogen 3.181 N/A ASP 54.A N SER 52.A OG no hydrogen 3.197 N/A ASN 55.A N SER 52.A O no hydrogen 3.080 N/A ASN 55.A ND2 ILE 49.A O no hydrogen 3.616 N/A ASN 55.A ND2 ALA 50.A O no hydrogen 2.758 N/A ASN 55.A ND2 ILE 60.A O no hydrogen 3.312 N/A THR 57.A N ASN 55.A OD1 no hydrogen 3.280 N/A THR 57.A OG1 ASN 55.A OD1 no hydrogen 3.442 N/A GLY 59.A N ALA 50.A O no hydrogen 2.729 N/A ILE 60.A N THR 57.A O no hydrogen 3.003 N/A VAL 61.A N ASP 69.A OD1 no hydrogen 2.961 N/A ILE 62.A N TYR 18.A OH no hydrogen 2.866 N/A ASN 63.A ND2 HIS 26.A ND1 no hydrogen 2.728 N/A GLY 67.A N ARG 64.A O no hydrogen 3.058 N/A VAL 70.A N VAL 61.A O no hydrogen 2.799 N/A TYR 71.A N ASP 69.A OD1 no hydrogen 3.113 N/A TYR 71.A OH ASP 47.A OD1 no hydrogen 2.711 N/A TYR 71.A OH ASP 47.A OD2 no hydrogen 3.370 N/A GLN 72.A N ASP 69.A OD2 no hydrogen 3.007 N/A VAL 74.A N TYR 71.A O no hydrogen 3.207 N/A LYS 76.A NZ ASP 47.A OD2 no hydrogen 3.404 N/A LYS 76.A NZ TYR 71.A OH no hydrogen 3.269 N/A TYR 78.A N VAL 43.A O no hydrogen 3.251 N/A TYR 78.A OH LYS 106.A O no hydrogen 2.702 N/A GLY 80.A N TYR 46.A O no hydrogen 2.859 N/A ASP 82.A N THR 79.A O no hydrogen 3.082 N/A VAL 83.A N GLY 80.A O no hydrogen 3.174 N/A GLN 86.A N GLN 86.A OE1 no hydrogen 2.889 N/A GLN 86.A NE2 GLU 134.A OE2 no hydrogen 2.846 N/A ASN 87.A N THR 84.A OG1 no hydrogen 3.112 N/A ASN 87.A ND2 ASP 82.A O no hydrogen 3.111 N/A PHE 88.A N THR 84.A O no hydrogen 2.939 N/A LEU 89.A N PRO 85.A O no hydrogen 2.910 N/A ALA 90.A N GLN 86.A O no hydrogen 3.156 N/A VAL 91.A N ASN 87.A O no hydrogen 3.134 N/A LEU 92.A N PHE 88.A O no hydrogen 3.196 N/A ARG 93.A N LEU 89.A O no hydrogen 2.826 N/A ARG 93.A NH2 ASP 95.A OD2 no hydrogen 2.802 N/A GLY 94.A N VAL 91.A O no hydrogen 3.409 N/A ASP 95.A N ALA 90.A O no hydrogen 2.750 N/A ALA 96.A N GLY 94.A O no hydrogen 2.913 N/A VAL 99.A N ALA 96.A O no hydrogen 3.360 N/A LYS 100.A N GLU 97.A O no hydrogen 3.505 N/A ILE 102.A N VAL 99.A O no hydrogen 3.161 N/A SER 104.A N ASP 77.A O no hydrogen 2.901 N/A SER 104.A OG ASP 77.A OD1 no hydrogen 2.815 N/A GLY 105.A N ILE 102.A O no hydrogen 2.951 N/A LYS 106.A N SER 104.A OG no hydrogen 3.373 N/A LYS 106.A NZ GLU 39.A O no hydrogen 2.835 N/A LEU 108.A N VAL 91.A O no hydrogen 2.942 N/A SER 110.A OG MET 153.A O no hydrogen 2.622 N/A GLY 111.A N ASP 114.A OD2 no hydrogen 2.783 N/A HIS 115.A N LYS 3.A O no hydrogen 2.875 N/A VAL 116.A N LYS 156.A O no hydrogen 3.016 N/A PHE 117.A N TRP 5.A O no hydrogen 2.743 N/A ILE 118.A N VAL 158.A O no hydrogen 2.859 N/A TYR 119.A N VAL 7.A O no hydrogen 2.876 N/A TYR 119.A OH SER 209.A OG no hydrogen 2.731 N/A PHE 120.A N TYR 160.A O no hydrogen 2.976 N/A THR 121.A N VAL 9.A O no hydrogen 2.890 N/A THR 121.A OG1 ASP 23.A OD2 no hydrogen 3.162 N/A ASP 122.A N GLU 162.A O no hydrogen 2.832 N/A HIS 123.A NE2 ASN 17.A OD1 no hydrogen 2.762 N/A SER 125.A N ILE 128.A O no hydrogen 2.872 N/A THR 126.A N SER 125.A OG no hydrogen 2.795 N/A GLY 127.A N SER 168.A OG no hydrogen 2.797 N/A ILE 128.A N SER 125.A O no hydrogen 2.959 N/A LEU 129.A N LEU 136.A O no hydrogen 2.976 N/A VAL 130.A N HIS 123.A O no hydrogen 3.050 N/A LEU 136.A N LEU 129.A O no hydrogen 2.891 N/A VAL 138.A N GLY 127.A O no hydrogen 2.802 N/A ASP 140.A N HIS 137.A O no hydrogen 3.116 N/A LEU 141.A N HIS 137.A O no hydrogen 3.199 N/A ASN 142.A N VAL 138.A O no hydrogen 2.754 N/A GLU 143.A N LYS 139.A O no hydrogen 3.010 N/A THR 144.A N ASP 140.A O no hydrogen 3.091 N/A THR 144.A OG1 ASP 140.A O no hydrogen 3.076 N/A ILE 145.A N LEU 141.A O no hydrogen 2.939 N/A HIS 146.A N ASN 142.A O no hydrogen 3.066 N/A TYR 147.A N GLU 143.A O no hydrogen 2.872 N/A MET 148.A N THR 144.A O no hydrogen 2.930 N/A TYR 149.A N ILE 145.A O no hydrogen 3.138 N/A LYS 150.A N HIS 146.A O no hydrogen 2.982 N/A HIS 151.A N TYR 147.A O no hydrogen 2.986 N/A HIS 151.A ND1 TYR 147.A O no hydrogen 3.127 N/A LYS 152.A N TYR 149.A O no hydrogen 3.265 N/A MET 153.A N MET 148.A O no hydrogen 2.885 N/A TYR 154.A OH ILE 177.A O no hydrogen 2.714 N/A ARG 155.A N ASP 114.A O no hydrogen 2.862 N/A ARG 155.A NH1 GLN 113.A OE1 no hydrogen 3.227 N/A MET 157.A N ASN 178.A O no hydrogen 3.106 N/A VAL 158.A N VAL 116.A O no hydrogen 2.957 N/A PHE 159.A N TYR 180.A O no hydrogen 2.957 N/A TYR 160.A N ILE 118.A O no hydrogen 2.881 N/A TYR 160.A OH GLN 229.A OE1 no hydrogen 2.810 N/A ILE 161.A N THR 182.A O no hydrogen 2.930 N/A GLU 162.A N PHE 120.A O no hydrogen 2.765 N/A CYS 164.A SG SER 191.A O no hydrogen 3.729 N/A GLU 165.A N GLU 189.A O no hydrogen 2.698 N/A SER 166.A N ALA 163.A O no hydrogen 3.302 N/A SER 166.A OG ILE 161.A O no hydrogen 2.725 N/A SER 168.A N GLU 165.A O no hydrogen 2.761 N/A SER 168.A OG GLU 165.A O no hydrogen 2.704 N/A MET 169.A N SER 166.A O no hydrogen 3.167 N/A MET 170.A N GLY 167.A O no hydrogen 3.156 N/A LEU 173.A N MET 170.A O no hydrogen 3.233 N/A TYR 180.A N MET 157.A O no hydrogen 2.860 N/A TYR 180.A OH GLN 244.A OE1 no hydrogen 2.756 N/A ALA 181.A N TYR 245.A O no hydrogen 2.941 N/A THR 182.A N PHE 159.A O no hydrogen 2.696 N/A THR 183.A N MET 243.A O no hydrogen 3.035 N/A THR 183.A OG1 ALA 185.A O no hydrogen 3.091 N/A ALA 184.A N ILE 161.A O no hydrogen 2.864 N/A ASN 186.A N GLU 189.A OE2 no hydrogen 2.858 N/A GLU 189.A N ASN 186.A O no hydrogen 3.214 N/A SER 191.A OG GLU 162.A OE2 no hydrogen 3.059 N/A CYS 194.A N GLY 205.A O no hydrogen 2.812 N/A TYR 195.A OH GLU 214.A OE1 no hydrogen 3.398 N/A TYR 195.A OH GLU 214.A OE2 no hydrogen 2.718 N/A ASP 197.A N THR 202.A O no hydrogen 2.821 N/A ARG 200.A N ASP 197.A OD2 no hydrogen 2.846 N/A ARG 200.A NH1 ASP 197.A OD2 no hydrogen 3.277 N/A ARG 200.A NH2 THR 57.A OG1 no hydrogen 2.865 N/A SER 201.A N GLU 198.A O no hydrogen 3.222 N/A SER 201.A OG GLU 198.A O no hydrogen 3.377 N/A THR 202.A N ASP 197.A O no hydrogen 3.312 N/A THR 202.A OG1 TRP 15.A O no hydrogen 3.203 N/A THR 202.A OG1 TYR 16.A O no hydrogen 3.501 N/A LEU 204.A N TYR 195.A O no hydrogen 2.887 N/A GLY 205.A N CYS 194.A O no hydrogen 3.294 N/A TRP 207.A N TYR 192.A O no hydrogen 3.051 N/A SER 209.A N GLU 162.A OE1 no hydrogen 2.831 N/A SER 209.A OG ASP 23.A OD2 no hydrogen 3.406 N/A SER 209.A OG TYR 119.A OH no hydrogen 2.731 N/A SER 209.A OG GLU 162.A OE1 no hydrogen 2.670 N/A VAL 210.A N ASP 206.A O no hydrogen 2.884 N/A ASN 211.A ND2 THR 237.A OG1 no hydrogen 2.910 N/A TRP 212.A N TYR 208.A O no hydrogen 3.366 N/A MET 213.A N SER 209.A O no hydrogen 3.159 N/A GLU 214.A N VAL 210.A O no hydrogen 2.840 N/A ASP 215.A N ASN 211.A O no hydrogen 3.250 N/A SER 216.A N TRP 212.A O no hydrogen 2.910 N/A SER 216.A OG TRP 212.A O no hydrogen 3.132 N/A SER 216.A OG GLN 259.A OE1 no hydrogen 2.605 N/A ASP 217.A N MET 213.A O no hydrogen 2.930 N/A VAL 218.A N ASP 215.A O no hydrogen 3.001 N/A GLU 219.A N ASP 215.A O no hydrogen 3.003 N/A THR 222.A N ASP 220.A OD1 no hydrogen 3.364 N/A THR 222.A OG1 ASP 220.A OD1 no hydrogen 2.637 N/A LYS 223.A N ASP 220.A O no hydrogen 2.940 N/A GLU 224.A N ASP 220.A O no hydrogen 2.833 N/A LEU 226.A N MET 253.A O no hydrogen 2.858 N/A HIS 227.A N SER 251.A O no hydrogen 2.681 N/A LYS 228.A N THR 225.A OG1 no hydrogen 3.273 N/A LYS 228.A NZ GLU 219.A OE1 no hydrogen 3.276 N/A GLN 229.A N THR 225.A O no hydrogen 3.207 N/A GLN 229.A NE2 ASP 215.A OD2 no hydrogen 2.795 N/A GLN 229.A NE2 SER 216.A OG no hydrogen 2.845 N/A TYR 230.A N LEU 226.A O no hydrogen 2.952 N/A TYR 230.A OH VAL 242.A O no hydrogen 2.741 N/A HIS 231.A N HIS 227.A O no hydrogen 3.136 N/A LEU 232.A N LYS 228.A O no hydrogen 3.003 N/A VAL 233.A N GLN 229.A O no hydrogen 2.886 N/A LYS 234.A N TYR 230.A O no hydrogen 2.743 N/A SER 235.A N HIS 231.A O no hydrogen 2.823 N/A SER 235.A OG HIS 231.A O no hydrogen 2.671 N/A HIS 236.A N LEU 232.A O no hydrogen 3.077 N/A THR 237.A N LYS 234.A O no hydrogen 3.265 N/A THR 237.A OG1 VAL 233.A O no hydrogen 2.821 N/A GLN 238.A NE2 HIS 236.A O no hydrogen 3.561 N/A SER 240.A OG ALA 184.A O no hydrogen 2.664 N/A HIS 241.A N GLU 189.A OE2 no hydrogen 2.695 N/A HIS 241.A ND1 GLU 189.A OE1 no hydrogen 2.698 N/A HIS 241.A ND1 GLU 189.A OE2 no hydrogen 3.206 N/A MET 243.A N THR 183.A O no hydrogen 3.147 N/A TYR 245.A N ALA 181.A O no hydrogen 2.815 N/A ASN 247.A N VAL 179.A O no hydrogen 3.090 N/A LYS 248.A NZ GLN 244.A O no hydrogen 2.978 N/A THR 249.A N ASN 247.A OD1 no hydrogen 3.055 N/A THR 249.A OG1 ASN 247.A OD1 no hydrogen 3.161 N/A ILE 250.A N ASN 247.A O no hydrogen 3.187 N/A SER 251.A N LYS 248.A O no hydrogen 2.825 N/A SER 251.A OG LYS 248.A O no hydrogen 2.567 N/A THR 252.A N THR 249.A O no hydrogen 3.172 N/A THR 252.A OG1 THR 249.A O no hydrogen 2.575 N/A MET 253.A N ILE 250.A O no hydrogen 2.965 N/A VAL 255.A N GLU 224.A O no hydrogen 3.034 N/A MET 256.A N LEU 221.A O no hydrogen 3.115 N/A GLN 257.A N LYS 254.A O no hydrogen 3.011 N/A PHE 258.A N VAL 255.A O no hydrogen 3.226 N/A GLN 259.A N VAL 255.A O no hydrogen 2.979 N/A GLN 259.A NE2 GLN 229.A OE1 no hydrogen 3.039 N/A GLY 260.A N MET 256.A O no hydrogen 2.859 N/A MET 261.A N ASN 34.A O no hydrogen 3.195 N/A ARG 263.A NH2 GLY 35.A O no hydrogen 3.110 N/A