Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aqc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N VAL 75.A O no hydrogen 3.222 N/A GLU 4.A N TYR 27.A OH no hydrogen 3.214 N/A GLU 5.A N SER 78.A OG no hydrogen 2.996 N/A ARG 6.A NE GLU 4.A OE1 no hydrogen 3.290 N/A ARG 6.A NH2 GLU 4.A OE1 no hydrogen 3.252 N/A ARG 6.A NH2 GLU 4.A OE2 no hydrogen 3.005 N/A HIS 7.A N GLU 4.A O no hydrogen 3.112 N/A LEU 8.A N GLU 5.A O no hydrogen 3.122 N/A LYS 9.A N ARG 26.A O no hydrogen 2.717 N/A LYS 9.A NZ ASP 28.A OD2 no hydrogen 2.680 N/A LYS 9.A NZ GLN 31.A OE1 no hydrogen 3.102 N/A LEU 11.A N MET 24.A O no hydrogen 2.859 N/A GLN 12.A N MET 24.A O no hydrogen 3.297 N/A GLN 12.A NE2 GLN 13.A O no hydrogen 3.622 N/A LEU 14.A N VAL 22.A O no hydrogen 2.796 N/A GLY 17.A N GLY 20.A O no hydrogen 2.963 N/A GLY 20.A N GLY 17.A O no hydrogen 3.011 N/A SER 21.A N LYS 42.A O no hydrogen 2.903 N/A VAL 22.A N GLY 15.A O no hydrogen 2.825 N/A GLU 23.A N VAL 40.A O no hydrogen 2.816 N/A MET 24.A N GLN 12.A O no hydrogen 2.735 N/A CYS 25.A N VAL 38.A O no hydrogen 2.952 N/A ARG 26.A N LYS 9.A O no hydrogen 2.802 N/A ARG 26.A NE GLY 35.A O no hydrogen 3.053 N/A ARG 26.A NH2 GLY 35.A O no hydrogen 3.186 N/A TYR 27.A N GLU 36.A O no hydrogen 3.017 N/A ASP 28.A N HIS 7.A O no hydrogen 2.746 N/A GLN 31.A N ASP 28.A O no hydrogen 2.915 N/A ASN 33.A N ASP 28.A OD2 no hydrogen 2.954 N/A THR 34.A N ASP 28.A OD1 no hydrogen 3.146 N/A THR 34.A OG1 ASP 32.A OD1 no hydrogen 2.777 N/A THR 34.A OG1 ASP 32.A OD2 no hydrogen 3.449 N/A GLY 35.A N ASP 28.A OD1 no hydrogen 3.157 N/A VAL 38.A N CYS 25.A O no hydrogen 2.824 N/A ALA 39.A N MET 88.A O no hydrogen 2.908 N/A VAL 40.A N GLU 23.A O no hydrogen 2.834 N/A LYS 41.A N LEU 86.A O no hydrogen 2.829 N/A LYS 41.A NZ GLU 57.A OE1 no hydrogen 3.419 N/A LYS 41.A NZ GLU 57.A OE2 no hydrogen 2.640 N/A LYS 41.A NZ ASP 153.A OD1 no hydrogen 3.050 N/A LYS 42.A N SER 21.A O no hydrogen 2.856 N/A LYS 42.A NZ LEU 43.A O no hydrogen 3.438 N/A GLN 44.A N PHE 19.A O no hydrogen 2.865 N/A SER 46.A OG ARG 82.A O no hydrogen 2.811 N/A THR 47.A OG1 SER 46.A O no hydrogen 3.236 N/A LEU 51.A N THR 47.A O no hydrogen 2.845 N/A ARG 52.A N GLU 48.A O no hydrogen 3.135 N/A ASP 53.A N GLU 49.A O no hydrogen 3.216 N/A PHE 54.A N HIS 50.A O no hydrogen 2.701 N/A GLU 55.A N LEU 51.A O no hydrogen 2.783 N/A ARG 56.A N ARG 52.A O no hydrogen 3.203 N/A ARG 56.A NH1 ASP 53.A OD1 no hydrogen 2.526 N/A GLU 57.A N ASP 53.A O no hydrogen 2.919 N/A ILE 58.A N PHE 54.A O no hydrogen 2.885 N/A GLU 59.A N GLU 55.A O no hydrogen 3.096 N/A ILE 60.A N ARG 56.A O no hydrogen 2.946 N/A LEU 61.A N GLU 57.A O no hydrogen 2.925 N/A LYS 62.A N ILE 58.A O no hydrogen 2.890 N/A SER 63.A N GLU 59.A O no hydrogen 2.975 N/A SER 63.A OG ILE 60.A O no hydrogen 2.668 N/A SER 63.A OG TYR 131.A OH no hydrogen 2.703 N/A LEU 64.A N LEU 61.A O no hydrogen 2.939 N/A GLN 65.A N TYR 125.A OH no hydrogen 2.928 N/A ASN 68.A N HIS 66.A ND1 no hydrogen 2.989 N/A ILE 69.A N HIS 66.A O no hydrogen 2.986 N/A VAL 70.A N ILE 151.A O no hydrogen 3.027 N/A LYS 71.A N GLU 89.A OE2 no hydrogen 2.903 N/A LYS 73.A N ILE 87.A O no hydrogen 2.910 N/A LYS 73.A NZ GLU 36.A OE1 no hydrogen 3.374 N/A LYS 73.A NZ GLU 36.A OE2 no hydrogen 2.768 N/A GLY 74.A N ILE 87.A O no hydrogen 3.266 N/A VAL 75.A N THR 1.A O no hydrogen 3.061 N/A CYS 76.A N LYS 85.A O no hydrogen 2.899 N/A CYS 76.A SG PHE 3.A O no hydrogen 3.348 N/A CYS 76.A SG GLU 5.A OE1 no hydrogen 3.454 N/A SER 78.A OG PHE 3.A O no hydrogen 3.351 N/A ASN 83.A N GLY 80.A O no hydrogen 2.785 N/A ASN 83.A ND2 ALA 79.A O no hydrogen 2.423 N/A LEU 84.A N ARG 81.A O no hydrogen 3.092 N/A LYS 85.A N CYS 76.A O no hydrogen 2.915 N/A LYS 85.A NZ GLU 5.A OE1 no hydrogen 3.471 N/A LYS 85.A NZ ASN 83.A O no hydrogen 3.544 N/A LEU 86.A N LYS 41.A O no hydrogen 2.842 N/A ILE 87.A N GLY 74.A O no hydrogen 2.962 N/A MET 88.A N ALA 39.A O no hydrogen 2.850 N/A GLU 89.A N LYS 71.A O no hydrogen 3.074 N/A TYR 93.A N VAL 143.A O no hydrogen 3.232 N/A LEU 96.A N ILE 141.A O no hydrogen 2.811 N/A ARG 97.A N THR 138.A O no hydrogen 3.468 N/A ASP 98.A N SER 95.A OG no hydrogen 3.060 N/A TYR 99.A N SER 95.A O no hydrogen 2.851 N/A LEU 100.A N LEU 96.A O no hydrogen 2.851 N/A GLN 101.A N ARG 97.A O no hydrogen 3.233 N/A LYS 102.A N ASP 98.A O no hydrogen 2.981 N/A HIS 103.A N TYR 99.A O no hydrogen 2.838 N/A HIS 103.A ND1 TYR 99.A O no hydrogen 2.918 N/A ARG 106.A N HIS 103.A O no hydrogen 2.864 N/A ILE 107.A N HIS 103.A O no hydrogen 3.167 N/A LYS 111.A N ASP 108.A OD1 no hydrogen 2.766 N/A LYS 111.A NZ GLN 114.A OE1 no hydrogen 2.698 N/A LYS 111.A NZ GLU 146.A O no hydrogen 3.095 N/A LEU 112.A N ASP 108.A O no hydrogen 3.034 N/A LEU 113.A N HIS 109.A O no hydrogen 2.990 N/A GLN 114.A N ILE 110.A O no hydrogen 3.146 N/A TYR 115.A N LYS 111.A O no hydrogen 3.108 N/A TYR 115.A OH GLU 146.A O no hydrogen 2.892 N/A THR 116.A N LEU 112.A O no hydrogen 2.943 N/A THR 116.A OG1 LEU 112.A O no hydrogen 2.704 N/A SER 117.A N LEU 113.A O no hydrogen 2.910 N/A SER 117.A OG ASP 281.A OD1 no hydrogen 2.981 N/A GLN 118.A N GLN 114.A O no hydrogen 3.047 N/A GLN 118.A NE2 ASN 147.A O no hydrogen 2.677 N/A ILE 119.A N TYR 115.A O no hydrogen 2.923 N/A CYS 120.A N THR 116.A O no hydrogen 2.946 N/A CYS 120.A SG THR 116.A O no hydrogen 3.506 N/A LYS 121.A N SER 117.A O no hydrogen 3.051 N/A LYS 121.A NZ SER 117.A OG no hydrogen 2.930 N/A GLY 122.A N GLN 118.A O no hydrogen 3.107 N/A MET 123.A N ILE 119.A O no hydrogen 3.016 N/A GLU 124.A N CYS 120.A O no hydrogen 2.820 N/A TYR 125.A N LYS 121.A O no hydrogen 3.066 N/A LEU 126.A N GLY 122.A O no hydrogen 3.012 N/A GLY 127.A N MET 123.A O no hydrogen 3.020 N/A THR 128.A N GLU 124.A O no hydrogen 3.069 N/A THR 128.A OG1 TYR 125.A O no hydrogen 2.674 N/A LYS 129.A N LEU 126.A O no hydrogen 2.872 N/A ARG 130.A N GLY 127.A O no hydrogen 2.988 N/A ARG 130.A NH1.A GLU 165.A OE2 no hydrogen 3.201 N/A ARG 130.A NH1.B PRO 161.A O no hydrogen 2.772 N/A ARG 130.A NH2.A PRO 161.A O no hydrogen 2.939 N/A ARG 130.A NH2.A GLU 165.A OE2 no hydrogen 3.262 N/A ARG 130.A NH2.B LYS 164.A O no hydrogen 3.356 N/A TYR 131.A N LEU 126.A O no hydrogen 3.175 N/A TYR 131.A OH SER 63.A OG no hydrogen 2.703 N/A ILE 132.A N LYS 158.A O no hydrogen 2.760 N/A HIS 133.A N ASP 193.A OD2 no hydrogen 2.790 N/A ARG 134.A N ASP 193.A OD1 no hydrogen 2.923 N/A ARG 134.A NH1 LEU 156.A O no hydrogen 2.816 N/A ARG 134.A NH1 GLU 169.A OE1 no hydrogen 3.454 N/A ARG 134.A NH1 GLU 169.A OE2 no hydrogen 2.947 N/A ARG 134.A NH2 GLU 169.A OE1 no hydrogen 2.928 N/A THR 138.A N GLU 203.A OE2 no hydrogen 2.940 N/A THR 138.A OG1 GLU 203.A OE1 no hydrogen 2.643 N/A ASN 140.A N ALA 137.A O no hydrogen 2.967 N/A ASN 140.A ND2 ASP 135.A O no hydrogen 2.748 N/A ASN 140.A ND2 ASP 135.A OD2 no hydrogen 3.019 N/A ILE 141.A N THR 138.A O no hydrogen 3.064 N/A LEU 142.A N LYS 150.A O no hydrogen 2.725 N/A VAL 143.A N GLY 94.A O no hydrogen 2.918 N/A GLU 144.A N ARG 148.A O no hydrogen 2.952 N/A ASN 145.A N ARG 148.A O no hydrogen 3.403 N/A ASN 147.A N ASN 145.A OD1 no hydrogen 2.695 N/A ARG 148.A N ASN 145.A O no hydrogen 3.260 N/A ARG 148.A NH1.B ASP 67.A O no hydrogen 2.537 N/A VAL 149.A N GLN 118.A OE1 no hydrogen 2.834 N/A LYS 150.A N LEU 142.A O no hydrogen 2.793 N/A LYS 150.A NZ GLU 89.A OE1 no hydrogen 3.478 N/A LYS 150.A NZ GLU 89.A OE2 no hydrogen 2.662 N/A ILE 151.A N ASN 68.A O no hydrogen 2.806 N/A GLY 152.A N ASN 140.A O no hydrogen 2.974 N/A GLY 155.A N ASP 153.A OD2 no hydrogen 2.968 N/A THR 157.A N PHE 154.A O no hydrogen 3.210 N/A THR 157.A OG1 HIS 133.A O no hydrogen 3.335 N/A THR 157.A OG1 PHE 154.A O no hydrogen 3.475 N/A LYS 158.A N ILE 132.A O no hydrogen 2.881 N/A LEU 160.A N ARG 130.A O no hydrogen 2.855 N/A VAL 167.A N SER 186.A O no hydrogen 3.169 N/A SER 173.A OG TYR 178.A OH no hydrogen 3.297 N/A ILE 175.A N SER 173.A O no hydrogen 2.718 N/A TRP 177.A N PRO 174.A O no hydrogen 3.038 N/A TRP 177.A NE1 GLU 203.A OE2 no hydrogen 2.811 N/A TYR 178.A N ILE 175.A O no hydrogen 3.224 N/A TYR 178.A OH SER 173.A OG no hydrogen 3.297 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.758 N/A SER 182.A N ALA 179.A O no hydrogen 2.963 N/A SER 182.A OG LYS 187.A O no hydrogen 2.857 N/A LEU 183.A N ALA 179.A O no hydrogen 3.147 N/A THR 184.A N PRO 180.A O no hydrogen 2.840 N/A THR 184.A OG1 PRO 180.A O no hydrogen 2.928 N/A GLU 185.A N GLU 181.A O no hydrogen 2.943 N/A LYS 187.A N GLU 181.A O no hydrogen 3.241 N/A SER 189.A N SER 192.A OG no hydrogen 2.772 N/A SER 192.A N SER 189.A O no hydrogen 2.985 N/A SER 192.A N SER 189.A OG no hydrogen 3.006 N/A SER 192.A OG SER 189.A O no hydrogen 2.892 N/A ASP 193.A N SER 189.A O no hydrogen 3.038 N/A VAL 194.A N VAL 190.A O no hydrogen 2.973 N/A TRP 195.A N ALA 191.A O no hydrogen 3.130 N/A SER 196.A N SER 192.A O no hydrogen 3.047 N/A SER 196.A OG TRP 177.A O no hydrogen 2.661 N/A SER 196.A OG SER 192.A O no hydrogen 3.405 N/A PHE 197.A N ASP 193.A O no hydrogen 2.864 N/A GLY 198.A N VAL 194.A O no hydrogen 3.048 N/A VAL 199.A N TRP 195.A O no hydrogen 3.272 N/A VAL 200.A N SER 196.A O no hydrogen 2.884 N/A LEU 201.A N PHE 197.A O no hydrogen 2.931 N/A TYR 202.A N GLY 198.A O no hydrogen 3.034 N/A TYR 202.A OH LYS 212.A O no hydrogen 2.598 N/A GLU 203.A N VAL 199.A O no hydrogen 2.860 N/A LEU 204.A N VAL 200.A O no hydrogen 2.930 N/A PHE 205.A N LEU 201.A O no hydrogen 3.105 N/A THR 206.A N TYR 202.A O no hydrogen 2.967 N/A THR 206.A N GLU 203.A O no hydrogen 3.211 N/A THR 206.A OG1 GLU 203.A O no hydrogen 2.623 N/A TYR 207.A N LEU 204.A O no hydrogen 2.979 N/A TYR 207.A OH ILE 107.A O no hydrogen 2.736 N/A ILE 208.A N THR 206.A OG1 no hydrogen 3.228 N/A GLU 209.A N THR 206.A O no hydrogen 3.127 N/A LYS 212.A N GLU 209.A O no hydrogen 2.815 N/A SER 213.A N LYS 210.A O no hydrogen 3.352 N/A ALA 216.A N SER 213.A OG no hydrogen 3.305 N/A GLU 217.A N SER 213.A O no hydrogen 2.967 N/A PHE 218.A N PRO 214.A O no hydrogen 2.954 N/A MET 219.A N PRO 215.A O no hydrogen 3.027 N/A ARG 220.A N ALA 216.A O no hydrogen 3.183 N/A ARG 220.A NH2 SER 211.A O no hydrogen 2.408 N/A ARG 220.A NH2 GLU 217.A OE2 no hydrogen 3.381 N/A MET 221.A N GLU 217.A O no hydrogen 3.002 N/A ILE 222.A N PHE 218.A O no hydrogen 2.743 N/A GLY 223.A N MET 219.A O no hydrogen 2.688 N/A GLY 223.A N ARG 220.A O no hydrogen 3.232 N/A ILE 231.A N GLY 228.A O no hydrogen 3.423 N/A HIS 234.A N MET 230.A O no hydrogen 3.204 N/A LEU 235.A N ILE 231.A O no hydrogen 2.894 N/A ILE 236.A N VAL 232.A O no hydrogen 3.036 N/A GLU 237.A N PHE 233.A O no hydrogen 3.314 N/A LEU 238.A N HIS 234.A O no hydrogen 2.930 N/A LEU 239.A N LEU 235.A O no hydrogen 2.963 N/A LYS 240.A N ILE 236.A O no hydrogen 2.923 N/A ASN 241.A N GLU 237.A O no hydrogen 3.086 N/A ASN 242.A N LEU 239.A O no hydrogen 2.930 N/A GLY 243.A N LEU 238.A O no hydrogen 2.985 N/A ARG 244.A NE TRP 263.A O no hydrogen 2.937 N/A ARG 244.A NH1 LEU 239.A O no hydrogen 3.029 N/A ARG 244.A NH1 GLY 243.A O no hydrogen 2.996 N/A ARG 244.A NH2 TRP 263.A O no hydrogen 2.700 N/A ARG 244.A NH2 ASN 265.A OD1 no hydrogen 3.068 N/A ARG 247.A NH1 CYS 251.A O no hydrogen 3.059 N/A CYS 251.A N PRO 248.A O no hydrogen 3.011 N/A CYS 251.A SG PRO 252.A O no hydrogen 3.485 N/A ILE 255.A N PRO 252.A O no hydrogen 3.069 N/A TYR 256.A N PRO 252.A O no hydrogen 2.995 N/A TYR 256.A OH LEU 245.A O no hydrogen 2.652 N/A MET 257.A N ASP 253.A O no hydrogen 2.828 N/A MET 259.A N ILE 255.A O no hydrogen 3.285 N/A THR 260.A N TYR 256.A O no hydrogen 2.900 N/A THR 260.A OG1 TYR 256.A O no hydrogen 3.368 N/A THR 260.A OG1 MET 257.A O no hydrogen 3.049 N/A GLU 261.A N MET 257.A O no hydrogen 3.040 N/A CYS 262.A N ILE 258.A O no hydrogen 3.111 N/A CYS 262.A SG ILE 258.A O no hydrogen 3.357 N/A TRP 263.A N MET 259.A O no hydrogen 3.050 N/A ASN 265.A ND2 LEU 239.A O no hydrogen 3.242 N/A ASN 265.A ND2 LYS 240.A O no hydrogen 3.586 N/A ASN 266.A N ASN 264.A OD1 no hydrogen 2.806 N/A ASN 266.A ND2 ASN 264.A OD1 no hydrogen 3.217 N/A GLN 269.A N ASN 266.A O no hydrogen 2.996 N/A ARG 270.A N VAL 267.A O no hydrogen 3.343 N/A ARG 270.A NE ASN 264.A O no hydrogen 2.855 N/A ARG 270.A NH1 GLU 181.A OE2 no hydrogen 2.907 N/A ARG 270.A NH1 ALA 191.A O no hydrogen 3.029 N/A ARG 270.A NH2 GLU 181.A OE1 no hydrogen 2.993 N/A ARG 270.A NH2 ASN 264.A O no hydrogen 2.897 N/A ASP 275.A N SER 272.A OG no hydrogen 3.082 N/A LEU 276.A N SER 272.A O no hydrogen 2.924 N/A ALA 277.A N PHE 273.A O no hydrogen 2.999 N/A LEU 278.A N ARG 274.A O no hydrogen 3.052 N/A ARG 279.A N ASP 275.A O no hydrogen 2.881 N/A ARG 279.A NH1.A GLU 261.A OE1 no hydrogen 2.680 N/A ARG 279.A NH2.B GLU 261.A OE1 no hydrogen 2.376 N/A VAL 280.A N LEU 276.A O no hydrogen 2.896 N/A ASP 281.A N ALA 277.A O no hydrogen 2.888 N/A GLN 282.A N LEU 278.A O no hydrogen 3.086 N/A GLN 282.A NE2 GLN 282.A O no hydrogen 3.300 N/A ILE 283.A N ARG 279.A O no hydrogen 3.073 N/A ARG 284.A N VAL 280.A O no hydrogen 2.853 N/A ARG 284.A NH1 ASP 281.A OD1 no hydrogen 3.109 N/A ASP 285.A N ASP 281.A O no hydrogen 3.013 N/A ASN 286.A N GLN 282.A O no hydrogen 2.953 N/A MET 287.A N ILE 283.A O no hydrogen 2.993 N/A MET 287.A N ARG 284.A O no hydrogen 3.193 N/A ALA 288.A N ARG 284.A O no hydrogen 2.927 N/A GLY 289.A N ASP 285.A O no hydrogen 3.086 N/A