Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6w8l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N ILE 72.A O no hydrogen 2.944 N/A GLU 5.A N TYR 28.A OH no hydrogen 3.494 N/A LYS 6.A NZ GLU 75.A OE2 no hydrogen 3.427 N/A PHE 8.A N GLU 5.A O no hydrogen 3.168 N/A LEU 9.A N LYS 6.A O no hydrogen 3.139 N/A LYS 10.A N ARG 27.A O no hydrogen 2.823 N/A LYS 10.A NZ ARG 7.A O no hydrogen 2.998 N/A ILE 12.A N LEU 25.A O no hydrogen 2.901 N/A LEU 15.A N VAL 23.A O no hydrogen 2.719 N/A GLY 16.A N VAL 23.A O no hydrogen 3.186 N/A GLY 18.A N GLY 21.A O no hydrogen 2.713 N/A LYS 22.A N SER 43.A O no hydrogen 2.905 N/A LYS 22.A NZ SER 43.A OG no hydrogen 3.214 N/A VAL 23.A N GLY 16.A O no hydrogen 2.789 N/A GLU 24.A N VAL 41.A O no hydrogen 2.903 N/A LEU 25.A N ARG 13.A O no hydrogen 2.772 N/A CYS 26.A N VAL 39.A O no hydrogen 2.946 N/A ARG 27.A N LYS 10.A O no hydrogen 2.920 N/A ARG 27.A NH1 GLY 36.A O no hydrogen 2.868 N/A TYR 28.A N GLU 37.A O no hydrogen 3.011 N/A ASP 29.A N PHE 8.A O no hydrogen 3.077 N/A GLY 32.A N ASP 29.A O no hydrogen 3.185 N/A ASN 34.A N ASP 29.A OD2 no hydrogen 2.752 N/A THR 35.A N ASP 29.A OD1 no hydrogen 3.146 N/A THR 35.A N ASP 33.A OD1 no hydrogen 3.296 N/A THR 35.A OG1 ASP 33.A OD1 no hydrogen 2.648 N/A THR 35.A OG1 ASP 33.A OD2 no hydrogen 3.414 N/A GLY 36.A N ASP 29.A OD1 no hydrogen 3.007 N/A VAL 39.A N CYS 26.A O no hydrogen 2.812 N/A ALA 40.A N MET 82.A O no hydrogen 2.866 N/A VAL 41.A N GLU 24.A O no hydrogen 2.829 N/A LYS 42.A N LEU 80.A O no hydrogen 2.788 N/A LYS 42.A NZ GLU 54.A OE1 no hydrogen 3.344 N/A LYS 42.A NZ GLU 54.A OE2 no hydrogen 2.747 N/A LYS 42.A NZ ASP 147.A OD1 no hydrogen 2.746 N/A SER 43.A N LYS 22.A O no hydrogen 2.875 N/A LYS 45.A N PHE 20.A O no hydrogen 2.952 N/A LYS 45.A NZ GLU 17.A OE2 no hydrogen 3.258 N/A LYS 45.A NZ GLY 18.A O no hydrogen 2.805 N/A HIS 47.A N ASN 46.A OD1 no hydrogen 2.797 N/A ILE 48.A N ASN 46.A OD1 no hydrogen 3.291 N/A LEU 51.A N HIS 47.A O no hydrogen 3.071 N/A LYS 52.A N ILE 48.A O no hydrogen 2.927 N/A LYS 53.A N ALA 49.A O no hydrogen 3.179 N/A GLU 54.A N ASP 50.A O no hydrogen 2.927 N/A ILE 55.A N LEU 51.A O no hydrogen 2.915 N/A GLU 56.A N LYS 52.A O no hydrogen 3.148 N/A ILE 57.A N LYS 53.A O no hydrogen 3.103 N/A LEU 58.A N GLU 54.A O no hydrogen 3.085 N/A ARG 59.A N ILE 55.A O no hydrogen 2.901 N/A ASN 60.A N GLU 56.A O no hydrogen 3.399 N/A ASN 60.A ND2 TYR 125.A OH no hydrogen 3.313 N/A LEU 61.A N LEU 58.A O no hydrogen 3.194 N/A TYR 62.A N TYR 119.A OH no hydrogen 2.954 N/A ASN 65.A N HIS 63.A ND1 no hydrogen 2.873 N/A ILE 66.A N HIS 63.A O no hydrogen 3.134 N/A VAL 67.A N ILE 145.A O no hydrogen 2.920 N/A LYS 68.A N GLU 83.A OE2 no hydrogen 3.060 N/A LYS 70.A N ILE 81.A O no hydrogen 2.809 N/A LYS 70.A NZ GLU 37.A OE1 no hydrogen 3.061 N/A LYS 70.A NZ GLU 37.A OE2 no hydrogen 2.924 N/A GLY 71.A N ILE 81.A O no hydrogen 3.101 N/A ILE 72.A N THR 2.A O no hydrogen 2.907 N/A CYS 73.A N LYS 79.A O no hydrogen 2.951 N/A THR 74.A OG1 HIS 3.A NE2 no hydrogen 3.163 N/A GLU 75.A N GLY 77.A O no hydrogen 2.870 N/A LYS 79.A N CYS 73.A O no hydrogen 2.783 N/A LEU 80.A N LYS 42.A O no hydrogen 2.953 N/A ILE 81.A N GLY 71.A O no hydrogen 2.864 N/A MET 82.A N ALA 40.A O no hydrogen 2.851 N/A GLU 83.A N LYS 68.A O no hydrogen 3.153 N/A GLY 88.A N LEU 85.A O no hydrogen 3.261 N/A SER 89.A OG GLU 92.A OE1 no hydrogen 2.718 N/A LEU 90.A N VAL 135.A O no hydrogen 2.917 N/A LYS 91.A NZ CYS 202.A O no hydrogen 3.270 N/A GLU 92.A N SER 89.A O no hydrogen 3.157 N/A TYR 93.A N SER 89.A O no hydrogen 2.756 N/A LEU 94.A N LEU 90.A O no hydrogen 2.882 N/A ASN 97.A N LEU 94.A O no hydrogen 3.146 N/A LYS 100.A N ASN 97.A O no hydrogen 2.933 N/A ILE 101.A N ASN 97.A O no hydrogen 3.008 N/A GLN 105.A N ASN 102.A OD1 no hydrogen 3.137 N/A GLN 106.A N ASN 102.A O no hydrogen 3.207 N/A GLN 106.A NE2 LEU 198.A O no hydrogen 2.802 N/A LEU 107.A N LEU 103.A O no hydrogen 2.987 N/A LYS 108.A N LYS 104.A O no hydrogen 3.050 N/A TYR 109.A N GLN 105.A O no hydrogen 3.030 N/A TYR 109.A OH GLU 140.A O no hydrogen 2.607 N/A ALA 110.A N GLN 106.A O no hydrogen 2.967 N/A VAL 111.A N LEU 107.A O no hydrogen 2.924 N/A GLN 112.A N LYS 108.A O no hydrogen 3.110 N/A GLN 112.A NE2 HIS 141.A O no hydrogen 2.870 N/A ILE 113.A N TYR 109.A O no hydrogen 2.859 N/A CYS 114.A N ALA 110.A O no hydrogen 2.982 N/A CYS 114.A SG ALA 110.A O no hydrogen 3.253 N/A LYS 115.A N VAL 111.A O no hydrogen 2.854 N/A GLY 116.A N GLN 112.A O no hydrogen 2.982 N/A MET 117.A N ILE 113.A O no hydrogen 2.800 N/A ASP 118.A N CYS 114.A O no hydrogen 2.777 N/A TYR 119.A N LYS 115.A O no hydrogen 3.113 N/A LEU 120.A N GLY 116.A O no hydrogen 3.084 N/A GLY 121.A N MET 117.A O no hydrogen 2.944 N/A SER 122.A N ASP 118.A O no hydrogen 2.921 N/A SER 122.A OG TYR 119.A O no hydrogen 2.832 N/A ARG 123.A N TYR 119.A O no hydrogen 3.182 N/A ARG 123.A N LEU 120.A O no hydrogen 3.176 N/A GLN 124.A N GLY 121.A O no hydrogen 2.844 N/A GLN 124.A NE2 GLU 155.A O no hydrogen 3.518 N/A TYR 125.A N LEU 120.A O no hydrogen 3.212 N/A VAL 126.A N LYS 152.A O no hydrogen 2.796 N/A HIS 127.A N ASP 187.A OD2 no hydrogen 2.802 N/A ARG 128.A N ASP 187.A OD1 no hydrogen 3.055 N/A ARG 128.A NH1 LEU 150.A O no hydrogen 2.801 N/A ALA 132.A N GLU 197.A OE1 no hydrogen 2.953 N/A ARG 133.A NH1 ASP 129.A OD1 no hydrogen 3.176 N/A ARG 133.A NH2 ASP 129.A OD1 no hydrogen 3.026 N/A ASN 134.A N ALA 131.A O no hydrogen 3.004 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.873 N/A ASN 134.A ND2 ASP 129.A OD2 no hydrogen 3.184 N/A VAL 135.A N ALA 132.A O no hydrogen 3.054 N/A LEU 136.A N LYS 144.A O no hydrogen 2.801 N/A VAL 137.A N GLY 88.A O no hydrogen 2.749 N/A GLU 138.A N GLN 142.A O no hydrogen 2.846 N/A SER 139.A N GLN 142.A O no hydrogen 3.356 N/A HIS 141.A N SER 139.A OG no hydrogen 3.228 N/A GLN 142.A N SER 139.A O no hydrogen 3.155 N/A VAL 143.A N GLN 112.A OE1 no hydrogen 2.926 N/A LYS 144.A N LEU 136.A O no hydrogen 2.808 N/A LYS 144.A NZ GLU 83.A OE2 no hydrogen 2.780 N/A LYS 144.A NZ GLU 138.A OE2 no hydrogen 3.349 N/A ILE 145.A N ASN 65.A O no hydrogen 2.871 N/A GLY 146.A N ASN 134.A O no hydrogen 2.823 N/A GLY 149.A N ASP 147.A OD2 no hydrogen 3.146 N/A THR 151.A N PHE 148.A O no hydrogen 3.280 N/A THR 151.A OG1 HIS 127.A O no hydrogen 3.383 N/A LYS 152.A N VAL 126.A O no hydrogen 2.841 N/A ILE 154.A N GLN 124.A O no hydrogen 2.769 N/A THR 156.A OG1 GLN 124.A OE1 no hydrogen 3.492 N/A LYS 158.A N GLU 155.A O no hydrogen 3.146 N/A VAL 161.A N SER 180.A O no hydrogen 3.014 N/A LYS 162.A NZ THR 160.A O no hydrogen 2.784 N/A ARG 165.A N ASP 163.A OD1 no hydrogen 3.287 N/A VAL 169.A N SER 167.A O no hydrogen 2.821 N/A TRP 171.A N PRO 168.A O no hydrogen 2.953 N/A TRP 171.A NE1 GLU 197.A OE1 no hydrogen 2.840 N/A TYR 172.A N VAL 169.A O no hydrogen 3.018 N/A TYR 172.A OH ARG 128.A O no hydrogen 2.826 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.801 N/A CYS 176.A N ALA 173.A O no hydrogen 3.062 N/A CYS 176.A SG LYS 181.A O no hydrogen 3.451 N/A LEU 177.A N ALA 173.A O no hydrogen 3.141 N/A MET 178.A N PRO 174.A O no hydrogen 2.787 N/A GLN 179.A N GLU 175.A O no hydrogen 3.000 N/A SER 180.A N CYS 176.A O no hydrogen 2.958 N/A LYS 181.A N GLU 175.A O no hydrogen 3.239 N/A TYR 183.A N SER 186.A OG no hydrogen 2.890 N/A SER 186.A N TYR 183.A O no hydrogen 2.936 N/A SER 186.A OG GLU 175.A OE2 no hydrogen 2.726 N/A VAL 188.A N ILE 184.A O no hydrogen 3.259 N/A TRP 189.A N ALA 185.A O no hydrogen 3.194 N/A SER 190.A N SER 186.A O no hydrogen 3.219 N/A SER 190.A OG TRP 171.A O no hydrogen 2.675 N/A SER 190.A OG SER 186.A O no hydrogen 3.339 N/A PHE 191.A N ASP 187.A O no hydrogen 2.866 N/A GLY 192.A N VAL 188.A O no hydrogen 2.999 N/A VAL 193.A N TRP 189.A O no hydrogen 3.185 N/A THR 194.A N SER 190.A O no hydrogen 2.871 N/A THR 194.A OG1 SER 190.A O no hydrogen 2.939 N/A LEU 195.A N PHE 191.A O no hydrogen 2.763 N/A HIS 196.A N GLY 192.A O no hydrogen 3.069 N/A HIS 196.A NE2 PRO 239.A O no hydrogen 2.979 N/A GLU 197.A N VAL 193.A O no hydrogen 3.146 N/A LEU 198.A N THR 194.A O no hydrogen 3.005 N/A LEU 199.A N LEU 195.A O no hydrogen 2.960 N/A THR 200.A N HIS 196.A O no hydrogen 3.060 N/A THR 200.A N GLU 197.A O no hydrogen 3.150 N/A THR 200.A OG1 HIS 196.A O no hydrogen 3.368 N/A THR 200.A OG1 GLU 197.A O no hydrogen 3.018 N/A TYR 201.A N LEU 198.A O no hydrogen 3.182 N/A TYR 201.A OH ILE 101.A O no hydrogen 2.663 N/A CYS 202.A N GLU 197.A O no hydrogen 2.758 N/A CYS 202.A SG GLU 197.A O no hydrogen 3.847 N/A ASP 203.A N THR 200.A O no hydrogen 3.229 N/A SER 206.A N ASP 203.A O no hydrogen 3.028 N/A SER 206.A OG ASP 203.A OD2 no hydrogen 3.456 N/A SER 207.A N SER 204.A O no hydrogen 3.411 N/A SER 207.A OG SER 204.A O no hydrogen 3.319 N/A ALA 210.A N SER 207.A OG no hydrogen 3.211 N/A LEU 211.A N SER 207.A O no hydrogen 2.817 N/A PHE 212.A N PRO 208.A O no hydrogen 2.797 N/A LEU 213.A N MET 209.A O no hydrogen 2.895 N/A LYS 214.A N ALA 210.A O no hydrogen 3.089 N/A LYS 214.A NZ ASP 205.A O no hydrogen 3.184 N/A MET 215.A N LEU 211.A O no hydrogen 3.079 N/A MET 215.A N PHE 212.A O no hydrogen 3.053 N/A ILE 216.A N PHE 212.A O no hydrogen 2.775 N/A GLY 217.A N LEU 213.A O no hydrogen 2.798 N/A GLN 222.A N HIS 220.A ND1 no hydrogen 3.170 N/A MET 223.A N HIS 220.A O no hydrogen 3.064 N/A THR 224.A N HIS 220.A O no hydrogen 3.105 N/A THR 224.A OG1 HIS 220.A O no hydrogen 2.850 N/A THR 226.A OG1 MET 223.A O no hydrogen 3.180 N/A ARG 227.A N MET 223.A O no hydrogen 3.308 N/A LEU 228.A N THR 224.A O no hydrogen 2.993 N/A VAL 229.A N VAL 225.A O no hydrogen 2.873 N/A ASN 230.A N THR 226.A O no hydrogen 2.975 N/A THR 231.A N ARG 227.A O no hydrogen 2.827 N/A THR 231.A OG1 ARG 227.A O no hydrogen 2.819 N/A LEU 232.A N LEU 228.A O no hydrogen 3.019 N/A LYS 233.A N VAL 229.A O no hydrogen 2.813 N/A GLU 234.A N ASN 230.A O no hydrogen 3.037 N/A GLY 235.A N LEU 232.A O no hydrogen 2.966 N/A LYS 236.A N THR 231.A O no hydrogen 3.207 N/A ARG 237.A NE TRP 256.A O no hydrogen 2.875 N/A ARG 237.A NH1 LEU 232.A O no hydrogen 2.917 N/A ARG 237.A NH1 LYS 236.A O no hydrogen 2.873 N/A ARG 237.A NH2 TRP 256.A O no hydrogen 2.856 N/A CYS 240.A SG PRO 241.A O no hydrogen 3.803 N/A CYS 240.A SG CYS 244.A O no hydrogen 3.534 N/A CYS 244.A N PRO 241.A O no hydrogen 3.265 N/A CYS 244.A SG PRO 245.A O no hydrogen 3.543 N/A GLU 247.A N GLU 247.A OE2 no hydrogen 2.819 N/A VAL 248.A N PRO 245.A O no hydrogen 3.077 N/A TYR 249.A N PRO 245.A O no hydrogen 3.139 N/A TYR 249.A OH LEU 238.A O no hydrogen 2.867 N/A GLN 250.A N ASP 246.A O no hydrogen 2.788 N/A GLN 250.A NE2 ASP 246.A OD1 no hydrogen 2.939 N/A MET 252.A N VAL 248.A O no hydrogen 3.141 N/A ARG 253.A N TYR 249.A O no hydrogen 2.896 N/A ARG 253.A NH1 TYR 249.A OH no hydrogen 2.925 N/A LYS 254.A N GLN 250.A O no hydrogen 3.133 N/A CYS 255.A N MET 252.A O no hydrogen 3.078 N/A CYS 255.A SG LEU 251.A O no hydrogen 3.614 N/A TRP 256.A N ARG 253.A O no hydrogen 3.062 N/A ASN 262.A N GLN 259.A O no hydrogen 3.121 N/A ARG 263.A N PRO 260.A O no hydrogen 3.157 N/A ARG 263.A NE GLU 257.A O no hydrogen 2.856 N/A ARG 263.A NH1 GLU 175.A OE1 no hydrogen 3.531 N/A ARG 263.A NH1 GLU 175.A OE2 no hydrogen 2.715 N/A ARG 263.A NH1 ALA 185.A O no hydrogen 2.944 N/A ARG 263.A NH2 GLU 175.A OE1 no hydrogen 2.745 N/A ARG 263.A NH2 GLU 175.A OE2 no hydrogen 3.526 N/A ARG 263.A NH2 GLU 257.A O no hydrogen 3.383 N/A ARG 263.A NH2 PHE 258.A O no hydrogen 3.228 N/A THR 264.A N LYS 254.A O no hydrogen 3.131 N/A THR 264.A OG1 SER 265.A O no hydrogen 3.322 N/A THR 264.A OG1 ASN 268.A OD1 no hydrogen 2.974 N/A ASN 268.A N SER 265.A OG no hydrogen 3.002 N/A LEU 269.A N SER 265.A O no hydrogen 3.197 N/A ILE 270.A N PHE 266.A O no hydrogen 2.939 N/A GLU 271.A N GLN 267.A O no hydrogen 3.192 N/A GLY 272.A N ASN 268.A O no hydrogen 2.963 N/A PHE 273.A N LEU 269.A O no hydrogen 2.840 N/A GLU 274.A N ILE 270.A O no hydrogen 2.885 N/A ALA 275.A N GLU 271.A O no hydrogen 2.956 N/A LEU 276.A N PHE 273.A O no hydrogen 3.032 N/A LEU 277.A N GLU 274.A O no hydrogen 3.181 N/A LYS 278.A NZ LEU 276.A O no hydrogen 3.260 N/A