Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3opt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N VAL 11.A O no hydrogen 2.690 N/A GLY 7.A N VAL 9.A O no hydrogen 2.985 N/A VAL 11.A N ILE 5.A O no hydrogen 2.938 N/A PHE 12.A N LYS 40.A O no hydrogen 2.931 N/A PHE 19.A N THR 15.A O no hydrogen 2.926 N/A TYR 23.A N ASP 21.A OD2 no hydrogen 3.373 N/A TYR 23.A OH PRO 176.A O no hydrogen 3.192 N/A TYR 25.A N ASP 21.A O no hydrogen 2.993 N/A CYS 26.A N PHE 22.A O no hydrogen 3.126 N/A CYS 26.A SG PHE 22.A O no hydrogen 3.171 N/A LYS 27.A N TYR 23.A O no hydrogen 3.098 N/A LYS 27.A NZ LEU 297.A O no hydrogen 3.346 N/A ALA 28.A N ALA 24.A O no hydrogen 3.076 N/A ASN 30.A ND2 TYR 199.A OH no hydrogen 2.800 N/A TYR 32.A N ILE 29.A O no hydrogen 3.184 N/A MET 34.A N ASN 30.A O no hydrogen 2.971 N/A LYS 35.A N TYR 32.A O no hydrogen 3.069 N/A SER 36.A N TYR 32.A O no hydrogen 3.184 N/A SER 36.A OG TYR 32.A O no hydrogen 3.420 N/A SER 36.A OG VAL 38.A O no hydrogen 2.832 N/A LYS 40.A N PRO 10.A O no hydrogen 3.085 N/A LYS 40.A NZ VAL 265.A O no hydrogen 2.647 N/A LYS 40.A NZ GLU 270.A OE1 no hydrogen 3.013 N/A VAL 41.A N PHE 271.A O no hydrogen 2.925 N/A ILE 42.A N PHE 12.A O no hydrogen 2.870 N/A TRP 47.A N PRO 44.A O no hydrogen 3.137 N/A LYS 48.A N PRO 44.A O no hydrogen 3.410 N/A ASP 49.A N LYS 45.A O no hydrogen 2.953 N/A LYS 50.A N TRP 47.A O no hydrogen 2.865 N/A LYS 50.A NZ TYR 16.A OH no hydrogen 3.064 N/A LEU 51.A N LYS 48.A O no hydrogen 2.825 N/A SER 56.A OG THR 59.A OG1 no hydrogen 3.149 N/A THR 59.A N SER 56.A OG no hydrogen 3.280 N/A THR 59.A OG1 SER 56.A OG no hydrogen 3.149 N/A LEU 60.A N SER 56.A O no hydrogen 2.988 N/A GLN 61.A N GLU 58.A O no hydrogen 2.890 N/A LYS 62.A N GLU 58.A O no hydrogen 2.823 N/A ILE 65.A N TYR 91.A O no hydrogen 2.780 N/A SER 67.A OG GLU 86.A OE2 no hydrogen 3.270 N/A ILE 69.A N TYR 154.A O no hydrogen 2.867 N/A GLN 70.A N VAL 85.A O no hydrogen 3.097 N/A GLN 71.A N PRO 152.A O no hydrogen 2.809 N/A SER 74.A N MET 81.A O no hydrogen 3.233 N/A ASN 76.A N LEU 79.A O no hydrogen 3.289 N/A PHE 80.A N LEU 248.A O no hydrogen 2.972 N/A MET 81.A N SER 74.A O no hydrogen 2.869 N/A VAL 82.A N MET 246.A O no hydrogen 2.851 N/A GLN 83.A N HIS 72.A O no hydrogen 3.456 N/A VAL 85.A N GLN 70.A O no hydrogen 3.173 N/A LYS 87.A N PRO 68.A O no hydrogen 2.955 N/A LYS 87.A NZ GLU 86.A O no hydrogen 3.541 N/A TYR 91.A N ILE 65.A O no hydrogen 2.891 N/A ASN 92.A N GLN 95.A OE1 no hydrogen 2.934 N/A GLN 95.A N ASN 92.A OD1 no hydrogen 2.603 N/A TRP 96.A N ASN 92.A O no hydrogen 2.876 N/A LYS 97.A N ILE 93.A O no hydrogen 2.842 N/A LYS 97.A NZ GLU 122.A O no hydrogen 2.664 N/A LYS 97.A NZ THR 124.A O no hydrogen 3.289 N/A ASP 98.A N ILE 94.A O no hydrogen 3.024 N/A LEU 99.A N GLN 95.A O no hydrogen 2.723 N/A SER 100.A N TRP 96.A O no hydrogen 2.935 N/A SER 100.A OG LYS 97.A O no hydrogen 2.564 N/A LYS 101.A N ASP 98.A O no hydrogen 2.966 N/A LYS 101.A NZ ASP 98.A OD1 no hydrogen 3.087 N/A ASP 102.A N LEU 99.A O no hydrogen 3.049 N/A TYR 103.A N SER 100.A O no hydrogen 3.202 N/A ASN 112.A N ASP 115.A OD2 no hydrogen 2.702 N/A ASP 114.A N ASN 112.A OD1 no hydrogen 3.364 N/A ASP 115.A N ASN 112.A O no hydrogen 2.751 N/A GLN 118.A N ASP 114.A O no hydrogen 3.034 N/A PHE 119.A N ASP 115.A O no hydrogen 2.944 N/A ARG 120.A NE GLU 117.A OE2 no hydrogen 3.210 N/A ARG 120.A NH1 PRO 54.A O no hydrogen 2.939 N/A THR 121.A OG1 GLN 118.A O no hydrogen 3.164 N/A GLU 122.A N PHE 119.A O no hydrogen 2.841 N/A SER 128.A OG ASP 126.A OD1 no hydrogen 3.515 N/A SER 128.A OG ASP 126.A OD2 no hydrogen 3.363 N/A PHE 130.A N LEU 127.A O no hydrogen 3.215 N/A ARG 135.A NE ASP 129.A OD2 no hydrogen 3.025 N/A ARG 135.A NH1 PRO 106.A O no hydrogen 3.044 N/A ARG 135.A NH2 PRO 106.A O no hydrogen 2.954 N/A ARG 135.A NH2 ASP 129.A OD2 no hydrogen 3.487 N/A LEU 136.A N ASN 132.A O no hydrogen 3.109 N/A LYS 137.A N THR 133.A O no hydrogen 2.881 N/A PHE 138.A N GLU 134.A O no hydrogen 2.936 N/A LEU 139.A N ARG 135.A O no hydrogen 2.974 N/A GLU 140.A N LEU 136.A O no hydrogen 2.896 N/A GLU 141.A N LYS 137.A O no hydrogen 2.928 N/A TYR 142.A N PHE 138.A O no hydrogen 2.941 N/A TYR 143.A N LEU 139.A O no hydrogen 2.710 N/A TYR 143.A OH SER 188.A OG no hydrogen 2.632 N/A TRP 144.A N GLU 140.A O no hydrogen 3.237 N/A TRP 144.A NE1 TYR 213.A OH no hydrogen 3.198 N/A LYS 145.A N GLU 141.A O no hydrogen 3.184 N/A THR 146.A N TYR 142.A O no hydrogen 2.915 N/A THR 146.A OG1 TYR 142.A O no hydrogen 2.895 N/A ASN 148.A N ASN 148.A OD1 no hydrogen 2.512 N/A PHE 149.A N THR 146.A O no hydrogen 3.252 N/A TYR 154.A N ILE 69.A O no hydrogen 2.607 N/A GLY 155.A N ALA 182.A O no hydrogen 3.019 N/A THR 158.A N LEU 180.A O no hydrogen 3.331 N/A THR 158.A OG1 LEU 180.A O no hydrogen 2.924 N/A GLY 160.A N SER 178.A O no hydrogen 3.289 N/A SER 161.A OG GLU 291.A OE1 no hydrogen 3.233 N/A SER 161.A OG GLU 291.A OE2 no hydrogen 2.676 N/A ILE 162.A N GLU 291.A OE1 no hydrogen 3.352 N/A PHE 163.A N SER 161.A OG no hydrogen 3.204 N/A LEU 167.A N PRO 164.A O no hydrogen 3.079 N/A ASN 171.A ND2 PRO 164.A O no hydrogen 3.230 N/A ASN 171.A ND2 LEU 167.A O no hydrogen 2.828 N/A SER 178.A OG GLY 160.A O no hydrogen 3.479 N/A SER 178.A OG GLU 291.A OE2 no hydrogen 3.154 N/A TYR 179.A N SER 292.A O no hydrogen 3.179 N/A LEU 180.A N THR 158.A O no hydrogen 2.822 N/A TYR 181.A N ALA 290.A O no hydrogen 2.737 N/A ALA 182.A N GLY 155.A O no hydrogen 2.885 N/A GLY 183.A N ASN 288.A O no hydrogen 2.812 N/A LYS 186.A N ASN 284.A O no hydrogen 3.044 N/A LYS 186.A NZ THR 146.A O no hydrogen 2.801 N/A LYS 186.A NZ THR 146.A OG1 no hydrogen 3.169 N/A ALA 187.A N LEU 184.A O no hydrogen 2.903 N/A SER 188.A OG TYR 143.A OH no hydrogen 2.632 N/A SER 188.A OG LYS 186.A O no hydrogen 2.867 N/A PHE 189.A N GLY 282.A O no hydrogen 2.758 N/A TRP 191.A N PHE 247.A O no hydrogen 3.166 N/A TRP 191.A NE1 ALA 249.A O no hydrogen 3.084 N/A HIS 192.A N HIS 280.A O no hydrogen 3.301 N/A HIS 192.A ND1 SER 190.A O no hydrogen 2.878 N/A ASP 197.A N GLU 194.A O no hydrogen 3.013 N/A LEU 198.A N ASP 195.A O no hydrogen 3.325 N/A TYR 199.A N PHE 295.A O no hydrogen 2.835 N/A SER 200.A N THR 274.A O no hydrogen 3.335 N/A SER 200.A OG THR 274.A OG1 no hydrogen 2.616 N/A ILE 201.A N VAL 293.A O no hydrogen 3.236 N/A ASN 202.A N MET 272.A O no hydrogen 2.736 N/A TYR 203.A N GLU 291.A O no hydrogen 2.940 N/A HIS 205.A N LEU 289.A O no hydrogen 2.930 N/A HIS 205.A NE2 GLU 291.A OE1 no hydrogen 2.770 N/A ALA 208.A N TYR 287.A O no hydrogen 2.751 N/A LYS 210.A N HIS 266.A O no hydrogen 2.783 N/A GLN 211.A N PHE 283.A O no hydrogen 2.796 N/A GLN 211.A NE2 TRP 212.A O no hydrogen 3.381 N/A TRP 212.A N ILE 264.A O no hydrogen 2.920 N/A TYR 213.A N ALA 281.A O no hydrogen 2.772 N/A TYR 213.A OH GLU 140.A OE2 no hydrogen 2.673 N/A SER 214.A N ASN 262.A O no hydrogen 3.137 N/A ILE 215.A N TYR 279.A O no hydrogen 2.909 N/A GLN 217.A N LYS 35.A O no hydrogen 3.103 N/A GLN 217.A N GLN 217.A OE1 no hydrogen 2.846 N/A GLN 217.A NE2 GLY 33.A O no hydrogen 3.272 N/A GLN 217.A NE2 PRO 276.A O no hydrogen 3.164 N/A GLU 218.A N GLU 218.A OE2 no hydrogen 2.683 N/A ASP 219.A N PRO 216.A O no hydrogen 2.743 N/A ARG 220.A N GLN 217.A O no hydrogen 3.123 N/A LYS 222.A NZ ASP 219.A OD2 no hydrogen 3.553 N/A PHE 223.A N ASP 219.A O no hydrogen 2.847 N/A TYR 224.A N ARG 220.A O no hydrogen 2.985 N/A TYR 224.A OH PRO 239.A O no hydrogen 2.528 N/A LYS 225.A N PHE 221.A O no hydrogen 3.063 N/A PHE 226.A N LYS 222.A O no hydrogen 2.869 N/A MET 227.A N PHE 223.A O no hydrogen 2.974 N/A GLN 228.A N LYS 225.A O no hydrogen 2.807 N/A GLU 229.A N LYS 225.A O no hydrogen 3.052 N/A GLN 230.A N PHE 226.A O no hydrogen 3.015 N/A GLN 230.A NE2 PHE 226.A O no hydrogen 3.162 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.629 N/A ALA 235.A N PHE 231.A O no hydrogen 3.223 N/A LYS 236.A N PRO 232.A O no hydrogen 3.057 N/A LYS 236.A N GLU 233.A O no hydrogen 2.974 N/A ARG 243.A NH1 ASP 197.A OD1 no hydrogen 3.529 N/A ARG 243.A NH2 ASP 197.A OD1 no hydrogen 3.158 N/A HIS 244.A N PHE 241.A O no hydrogen 2.896 N/A LYS 245.A N PHE 241.A O no hydrogen 2.861 N/A LYS 245.A NZ GLU 234.A O no hydrogen 3.405 N/A LEU 248.A N PHE 80.A O no hydrogen 2.718 N/A SER 250.A N GLY 78.A O no hydrogen 3.137 N/A LYS 252.A NZ SER 250.A OG no hydrogen 3.084 N/A LEU 254.A N SER 250.A O no hydrogen 3.046 N/A GLN 255.A N PRO 251.A O no hydrogen 2.646 N/A GLN 255.A NE2 CYS 261.A O no hydrogen 3.490 N/A GLU 256.A N LYS 252.A O no hydrogen 3.296 N/A ASN 257.A N LEU 254.A O no hydrogen 2.986 N/A ASN 257.A ND2 LEU 253.A O no hydrogen 2.859 N/A GLY 258.A N GLN 255.A O no hydrogen 3.278 N/A ILE 259.A N LEU 254.A O no hydrogen 3.104 N/A ARG 260.A N ASP 219.A OD1 no hydrogen 3.075 N/A ARG 260.A NH2 GLU 218.A OE1 no hydrogen 3.094 N/A CYS 261.A SG SER 214.A O no hydrogen 4.002 N/A CYS 261.A SG ASN 262.A O no hydrogen 3.734 N/A ASN 262.A N SER 214.A O no hydrogen 2.824 N/A ASN 262.A ND2 SER 214.A OG no hydrogen 3.275 N/A ILE 264.A N TRP 212.A O no hydrogen 3.161 N/A HIS 266.A N LYS 210.A O no hydrogen 2.793 N/A HIS 266.A NE2 GLU 270.A O no hydrogen 2.706 N/A HIS 267.A N GLU 270.A OE1 no hydrogen 3.021 N/A GLY 269.A N ILE 204.A O no hydrogen 2.837 N/A PHE 271.A N VAL 41.A O no hydrogen 3.263 N/A MET 272.A N ASN 202.A O no hydrogen 2.845 N/A ILE 273.A N VAL 39.A O no hydrogen 2.854 N/A THR 274.A N SER 200.A O no hydrogen 2.918 N/A THR 274.A OG1 SER 200.A OG no hydrogen 2.616 N/A TYR 275.A N GLY 37.A O no hydrogen 3.436 N/A GLY 278.A N TYR 275.A O no hydrogen 2.927 N/A HIS 280.A N HIS 192.A O no hydrogen 3.266 N/A HIS 280.A ND1 GLY 278.A O no hydrogen 2.864 N/A ALA 281.A N TYR 213.A O no hydrogen 2.869 N/A GLY 282.A N PHE 189.A O no hydrogen 2.879 N/A PHE 283.A N GLN 211.A O no hydrogen 3.210 N/A ASN 284.A N ALA 187.A O no hydrogen 2.804 N/A ASN 284.A ND2 TYR 154.A OH no hydrogen 3.139 N/A ASN 284.A ND2 ALA 187.A O no hydrogen 2.874 N/A TYR 285.A N PRO 209.A O no hydrogen 2.905 N/A TYR 285.A OH GLN 211.A OE1 no hydrogen 2.811 N/A TYR 287.A OH TYR 123.A O no hydrogen 2.919 N/A ASN 288.A N GLY 183.A O no hydrogen 3.107 N/A ASN 288.A ND2 ALA 208.A O no hydrogen 3.065 N/A ASN 288.A ND2 ASN 284.A OD1 no hydrogen 3.016 N/A LEU 289.A N PHE 206.A O no hydrogen 3.028 N/A ALA 290.A N TYR 181.A O no hydrogen 3.050 N/A GLU 291.A N TYR 203.A O no hydrogen 2.914 N/A SER 292.A N TYR 179.A O no hydrogen 3.054 N/A ASN 294.A ND2 GLU 194.A OE2 no hydrogen 2.753 N/A ASN 294.A ND2 TYR 199.A O no hydrogen 2.896 N/A PHE 295.A N TYR 199.A O no hydrogen 3.291 N/A