Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wul_I.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 3.138 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.658 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.193 N/A MET 5.A N CYS 101.A O no hydrogen 3.089 N/A ARG 6.A N TYR 27.A O no hydrogen 2.979 N/A ARG 6.A NH1 ASP 29.A O no hydrogen 2.859 N/A TYR 7.A N TYR 99.A O no hydrogen 2.913 N/A PHE 8.A N VAL 25.A O no hydrogen 2.971 N/A TYR 9.A N ILE 97.A O no hydrogen 2.714 N/A THR 10.A N ILE 23.A O no hydrogen 2.962 N/A SER 11.A N ILE 95.A O no hydrogen 2.846 N/A SER 11.A OG ASP 74.A OD2 no hydrogen 3.075 N/A VAL 12.A N ARG 21.A O no hydrogen 2.919 N/A SER 13.A N HIS 93.A O no hydrogen 2.920 N/A SER 13.A OG HIS 93.A O no hydrogen 3.392 N/A ARG 14.A NE GLU 19.A O no hydrogen 3.022 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 2.966 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 3.120 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 3.191 N/A ARG 17.A N ARG 14.A O no hydrogen 2.910 N/A ARG 21.A N VAL 12.A O no hydrogen 2.842 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 2.872 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.937 N/A PHE 22.A N SER 38.A OG no hydrogen 2.976 N/A ILE 23.A N THR 10.A O no hydrogen 2.954 N/A ALA 24.A N PHE 36.A O no hydrogen 2.828 N/A VAL 25.A N PHE 8.A O no hydrogen 3.072 N/A GLY 26.A N VAL 34.A O no hydrogen 3.093 N/A TYR 27.A N ARG 6.A O no hydrogen 2.707 N/A VAL 28.A N THR 31.A O no hydrogen 2.968 N/A ASP 29.A N SER 4.A O no hydrogen 2.896 N/A THR 31.A N VAL 28.A O no hydrogen 3.147 N/A GLN 32.A NE2 TYR 27.A OH no hydrogen 2.911 N/A PHE 33.A N GLY 26.A O no hydrogen 3.059 N/A ARG 35.A N GLU 46.A O no hydrogen 3.077 N/A ARG 35.A NE GLU 46.A OE1 no hydrogen 3.226 N/A ARG 35.A NH2 GLU 46.A OE1 no hydrogen 3.163 N/A PHE 36.A N ALA 24.A O no hydrogen 2.882 N/A SER 38.A N PHE 22.A O no hydrogen 2.919 N/A SER 38.A OG PHE 22.A O no hydrogen 3.376 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.930 N/A ALA 40.A N ASP 37.A O no hydrogen 2.966 N/A SER 42.A OG GLU 46.A OE2 no hydrogen 2.514 N/A GLN 43.A NE2 SER 38.A O no hydrogen 2.928 N/A GLN 43.A NE2 ALA 40.A O no hydrogen 3.322 N/A ARG 44.A N SER 42.A OG no hydrogen 3.169 N/A ARG 44.A NH1 ASP 61.A OD1 no hydrogen 3.045 N/A ARG 44.A NH2 ASP 61.A OD1 no hydrogen 2.692 N/A MET 45.A N THR 64.A OG1 no hydrogen 3.062 N/A GLU 46.A N ARG 35.A O no hydrogen 2.855 N/A ARG 48.A N PHE 33.A O no hydrogen 2.610 N/A ARG 48.A NH1 PRO 47.A O no hydrogen 2.808 N/A ARG 48.A NH2 GLU 46.A OE1 no hydrogen 3.177 N/A ILE 52.A N ALA 49.A O no hydrogen 3.382 N/A GLU 53.A N PRO 50.A O no hydrogen 3.427 N/A GLU 55.A N ILE 52.A O no hydrogen 3.218 N/A TYR 59.A N GLY 56.A O no hydrogen 3.093 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.605 N/A TRP 60.A N GLY 56.A O no hydrogen 3.453 N/A ASP 61.A N PRO 57.A O no hydrogen 2.755 N/A GLN 62.A N GLU 58.A O no hydrogen 3.173 N/A GLN 62.A NE2 ASN 66.A OD1 no hydrogen 2.927 N/A GLU 63.A N TYR 59.A O no hydrogen 2.848 N/A THR 64.A N TRP 60.A O no hydrogen 2.979 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.713 N/A ARG 65.A N ASP 61.A O no hydrogen 3.265 N/A ARG 65.A NH1 GLN 62.A OE1 no hydrogen 3.084 N/A ASN 66.A N GLN 62.A O no hydrogen 2.749 N/A ASN 66.A ND2 GLU 63.A OE1 no hydrogen 3.293 N/A VAL 67.A N GLU 63.A O no hydrogen 2.829 N/A LYS 68.A N THR 64.A O no hydrogen 2.903 N/A ALA 69.A N ARG 65.A O no hydrogen 2.913 N/A GLN 70.A N ASN 66.A O no hydrogen 3.085 N/A GLN 70.A NE2 ASP 74.A OD1 no hydrogen 3.102 N/A SER 71.A N VAL 67.A O no hydrogen 3.210 N/A SER 71.A OG LYS 68.A O no hydrogen 2.460 N/A GLN 72.A N LYS 68.A O no hydrogen 3.345 N/A THR 73.A N ALA 69.A O no hydrogen 2.934 N/A THR 73.A OG1 ALA 69.A O no hydrogen 3.057 N/A ASP 74.A N GLN 70.A O no hydrogen 2.909 N/A ARG 75.A N SER 71.A O no hydrogen 2.999 N/A ARG 75.A NE GLN 72.A OE1 no hydrogen 2.791 N/A ARG 75.A NH2 GLN 72.A OE1 no hydrogen 3.042 N/A VAL 76.A N GLN 72.A O no hydrogen 3.008 N/A ASP 77.A N THR 73.A O no hydrogen 2.952 N/A LEU 78.A N ASP 74.A O no hydrogen 2.823 N/A GLY 79.A N ARG 75.A O no hydrogen 3.318 N/A THR 80.A N VAL 76.A O no hydrogen 2.912 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.028 N/A LEU 81.A N ASP 77.A O no hydrogen 2.661 N/A ARG 82.A N LEU 78.A O no hydrogen 3.015 N/A ARG 82.A NH1 GLN 87.A O no hydrogen 2.795 N/A GLY 83.A N GLY 79.A O no hydrogen 3.308 N/A TYR 84.A N THR 80.A O no hydrogen 3.040 N/A TYR 85.A N LEU 81.A O no hydrogen 3.075 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.332 N/A ASN 86.A N GLY 83.A O no hydrogen 3.341 N/A GLN 87.A N ARG 82.A O no hydrogen 2.994 N/A ASP 90.A N SER 88.A OG no hydrogen 3.077 N/A SER 92.A OG SER 13.A O no hydrogen 2.737 N/A HIS 93.A N SER 13.A OG no hydrogen 2.913 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.850 N/A THR 94.A N ASP 119.A OD1 no hydrogen 3.046 N/A ILE 95.A N SER 11.A O no hydrogen 2.859 N/A GLN 96.A N ALA 117.A O no hydrogen 3.197 N/A ILE 97.A N TYR 9.A O no hydrogen 2.968 N/A MET 98.A N GLN 115.A O no hydrogen 2.923 N/A TYR 99.A N TYR 7.A O no hydrogen 3.183 N/A TYR 99.A OH TYR 9.A OH no hydrogen 2.631 N/A GLY 100.A N TYR 113.A O no hydrogen 3.061 N/A CYS 101.A N MET 5.A O no hydrogen 3.116 N/A ASP 102.A N ARG 111.A O no hydrogen 2.755 N/A VAL 103.A N HIS 3.A O no hydrogen 2.937 N/A GLY 104.A N ARG 108.A O no hydrogen 2.967 N/A GLY 107.A N GLY 104.A O no hydrogen 2.942 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.280 N/A ARG 108.A NH1 ASP 106.A OD2 no hydrogen 3.123 N/A LEU 110.A N ASP 102.A O no hydrogen 2.781 N/A ARG 111.A N ASP 102.A O no hydrogen 3.350 N/A ARG 111.A NE ASP 102.A OD2 no hydrogen 3.428 N/A ARG 111.A NH2 ASP 102.A OD2 no hydrogen 3.361 N/A TYR 113.A N GLY 100.A O no hydrogen 3.040 N/A TYR 113.A OH ASP 102.A OD1 no hydrogen 2.736 N/A ARG 114.A NE ASP 116.A OD1 no hydrogen 2.871 N/A ARG 114.A NH1 GLN 156.A OE1 no hydrogen 2.990 N/A ARG 114.A NH2 ASP 116.A OD1 no hydrogen 3.484 N/A ARG 114.A NH2 ASP 116.A OD2 no hydrogen 2.927 N/A GLN 115.A N MET 98.A O no hydrogen 2.752 N/A ASP 116.A N ILE 124.A O no hydrogen 2.837 N/A ALA 117.A N GLN 96.A O no hydrogen 2.731 N/A TYR 118.A N LYS 121.A O no hydrogen 2.924 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.666 N/A ASP 119.A N THR 94.A O no hydrogen 2.818 N/A LYS 121.A N TYR 118.A O no hydrogen 3.271 N/A TYR 123.A N ASP 116.A O no hydrogen 2.870 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.757 N/A ILE 124.A N ASP 116.A O no hydrogen 3.327 N/A ALA 125.A N THR 134.A O no hydrogen 3.070 N/A LEU 126.A N ARG 114.A O no hydrogen 2.814 N/A ASN 127.A N SER 132.A O no hydrogen 2.948 N/A ASN 127.A ND2 SER 132.A OG no hydrogen 2.762 N/A LEU 130.A N ASN 127.A O no hydrogen 3.102 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 3.087 N/A THR 134.A N ALA 125.A O no hydrogen 2.869 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.417 N/A ALA 136.A N TYR 123.A O no hydrogen 2.866 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 3.009 N/A GLN 141.A N ASP 137.A O no hydrogen 3.181 N/A ILE 142.A N ALA 139.A O no hydrogen 3.155 N/A THR 143.A N ALA 139.A O no hydrogen 3.408 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.757 N/A LYS 144.A N ALA 140.A O no hydrogen 2.686 N/A LYS 144.A NZ TRP 133.A O no hydrogen 3.276 N/A ARG 145.A N GLN 141.A O no hydrogen 3.102 N/A LYS 146.A N ILE 142.A O no hydrogen 3.241 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 2.800 N/A TRP 147.A N THR 143.A O no hydrogen 2.851 N/A GLU 148.A N LYS 144.A O no hydrogen 2.908 N/A ALA 149.A N ARG 145.A O no hydrogen 3.174 N/A ALA 150.A N LYS 146.A O no hydrogen 3.191 N/A HIS 151.A N GLU 148.A O no hydrogen 3.230 N/A HIS 151.A ND1 GLU 154.A OE2 no hydrogen 3.035 N/A ALA 152.A N TRP 147.A O no hydrogen 2.967 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.477 N/A GLN 155.A N HIS 151.A O no hydrogen 3.155 N/A GLN 155.A NE2 ALA 150.A O no hydrogen 3.111 N/A GLN 156.A N ALA 152.A O no hydrogen 2.757 N/A GLN 156.A NE2 GLN 156.A O no hydrogen 3.368 N/A ARG 157.A N ALA 153.A O no hydrogen 2.803 N/A ARG 157.A NE GLU 161.A OE2 no hydrogen 2.767 N/A ARG 157.A NH2 GLU 161.A OE2 no hydrogen 3.361 N/A ALA 158.A N GLU 154.A O no hydrogen 2.977 N/A TYR 159.A N GLN 155.A O no hydrogen 3.286 N/A LEU 160.A N GLN 156.A O no hydrogen 3.048 N/A GLU 161.A N ARG 157.A O no hydrogen 2.924 N/A GLY 162.A N TYR 159.A O no hydrogen 3.207 N/A CYS 164.A N TYR 159.A O no hydrogen 2.848 N/A CYS 164.A SG TYR 159.A OH no hydrogen 3.884 N/A GLU 166.A N GLY 162.A O no hydrogen 2.869 N/A TRP 167.A N ARG 163.A O no hydrogen 2.842 N/A LEU 168.A N CYS 164.A O no hydrogen 3.002 N/A ARG 169.A N VAL 165.A O no hydrogen 3.070 N/A ARG 169.A NH1 GLY 107.A O no hydrogen 2.892 N/A ARG 170.A N GLU 166.A O no hydrogen 3.153 N/A ARG 170.A NE GLU 55.A OE2 no hydrogen 3.091 N/A ARG 170.A NH2 GLU 55.A OE1 no hydrogen 3.451 N/A ARG 170.A NH2 GLU 55.A OE2 no hydrogen 3.342 N/A TYR 171.A N TRP 167.A O no hydrogen 2.876 N/A LEU 172.A N LEU 168.A O no hydrogen 2.936 N/A GLU 173.A N ARG 169.A O no hydrogen 3.047 N/A ASN 174.A N ARG 170.A O no hydrogen 2.946 N/A GLY 175.A N TYR 171.A O no hydrogen 2.873 N/A LYS 176.A N GLU 173.A O no hydrogen 3.414 N/A THR 178.A N GLY 175.A O no hydrogen 3.253 N/A LEU 179.A N GLY 175.A O no hydrogen 2.935 N/A ARG 181.A NE ASP 183.A OD2 no hydrogen 3.314 N/A ARG 181.A NH1 THR 178.A O no hydrogen 2.603 N/A LYS 186.A N LEU 206.A O no hydrogen 2.950 N/A THR 190.A N ARG 202.A O no hydrogen 2.997 N/A HIS 192.A N THR 200.A O no hydrogen 3.101 N/A SER 195.A N GLU 198.A O no hydrogen 3.362 N/A ALA 199.A N VAL 249.A O no hydrogen 2.843 N/A THR 200.A N HIS 192.A O no hydrogen 3.097 N/A LEU 201.A N VAL 247.A O no hydrogen 2.943 N/A ARG 202.A N THR 190.A O no hydrogen 2.967 N/A CYS 203.A N ALA 245.A O no hydrogen 2.785 N/A TRP 204.A N HIS 188.A O no hydrogen 3.048 N/A ALA 205.A N LYS 243.A O no hydrogen 2.825 N/A LEU 206.A N LYS 186.A O no hydrogen 2.993 N/A PHE 208.A N PHE 241.A O no hydrogen 3.434 N/A TYR 209.A N ASP 183.A O no hydrogen 3.094 N/A ILE 213.A N GLU 212.A OE1 no hydrogen 3.013 N/A THR 214.A N GLN 262.A O no hydrogen 3.042 N/A THR 216.A N HIS 260.A O no hydrogen 2.828 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.871 N/A GLN 218.A N THR 258.A O no hydrogen 2.719 N/A GLN 218.A NE2 ASP 223.A OD2 no hydrogen 2.808 N/A ARG 219.A NE TYR 257.A OH no hydrogen 3.367 N/A ASP 220.A N ARG 256.A O no hydrogen 3.013 N/A GLU 222.A N ARG 219.A O no hydrogen 3.303 N/A GLU 222.A N GLU 222.A OE1 no hydrogen 2.515 N/A GLN 224.A N TRP 217.A O no hydrogen 2.978 N/A GLN 224.A NE2 GLN 226.A O no hydrogen 3.598 N/A THR 228.A OG1 THR 228.A O no hydrogen 2.484 N/A GLU 229.A N ALA 246.A O no hydrogen 2.658 N/A ARG 234.A N GLN 242.A O no hydrogen 2.977 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 3.071 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.373 N/A ALA 236.A N THR 240.A O no hydrogen 2.923 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.434 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.419 N/A PHE 241.A N PHE 208.A O no hydrogen 3.019 N/A GLN 242.A N ARG 234.A O no hydrogen 2.867 N/A LYS 243.A N ALA 205.A O no hydrogen 2.928 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.996 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 2.889 N/A ALA 245.A N CYS 203.A O no hydrogen 2.987 N/A ALA 246.A N GLU 229.A O no hydrogen 2.942 N/A VAL 247.A N LEU 201.A O no hydrogen 3.050 N/A VAL 249.A N ALA 199.A O no hydrogen 2.676 N/A SER 251.A N HIS 197.A O no hydrogen 3.162 N/A GLU 253.A N PRO 250.A O no hydrogen 3.279 N/A GLN 255.A NE2 TRP 274.A O no hydrogen 3.314 N/A TYR 257.A N GLU 254.A O no hydrogen 3.344 N/A THR 258.A N GLN 218.A O no hydrogen 2.863 N/A CYS 259.A N LEU 272.A O no hydrogen 3.031 N/A CYS 259.A SG THR 216.A O no hydrogen 3.981 N/A HIS 260.A N THR 216.A O no hydrogen 2.665 N/A VAL 261.A N LEU 270.A O no hydrogen 3.270 N/A GLN 262.A N THR 214.A O no hydrogen 2.850 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 3.221 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 3.023 N/A LEU 266.A N HIS 263.A O no hydrogen 3.196 N/A THR 271.A OG1 HIS 260.A ND1 no hydrogen 2.964 N/A LEU 272.A N CYS 259.A O no hydrogen 2.866 N/A ARG 273.A NH1 GLN 255.A O no hydrogen 3.285 N/A