Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aac_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N VAL 16.A O no hydrogen 2.916 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.735 N/A ARG 6.A NE GLU 15.A OE1 no hydrogen 2.682 N/A ARG 6.A NH2 GLU 15.A OE1 no hydrogen 2.378 N/A GLN 7.A N TRP 14.A O no hydrogen 2.979 N/A LEU 9.A N THR 12.A O no hydrogen 2.737 N/A TRP 14.A N GLN 7.A O no hydrogen 2.843 N/A GLU 15.A N TYR 99.A OH no hydrogen 2.971 N/A VAL 16.A N TYR 5.A O no hydrogen 3.028 N/A GLU 18.A N THR 3.A O no hydrogen 2.677 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 2.989 N/A ARG 19.A NH2 ASP 39.A OD1 no hydrogen 2.914 N/A ARG 19.A NH2 ASP 39.A OD2 no hydrogen 2.765 N/A TYR 20.A N PRO 17.A O no hydrogen 3.211 N/A TYR 20.A OH ASP 84.A OD2 no hydrogen 2.567 N/A GLN 21.A N PHE 38.A O no hydrogen 2.932 N/A GLN 21.A NE2 GLU 18.A O no hydrogen 2.766 N/A SER 24.A N ALA 36.A O no hydrogen 2.790 N/A VAL 26.A N VAL 34.A O no hydrogen 3.111 N/A GLY 29.A N GLY 32.A O no hydrogen 2.892 N/A TYR 31.A OH THR 171.A O no hydrogen 2.944 N/A GLY 32.A N GLY 29.A O no hydrogen 3.532 N/A VAL 34.A N GLY 27.A O no hydrogen 3.107 N/A CYS 35.A N VAL 48.A O no hydrogen 2.819 N/A ALA 36.A N SER 24.A O no hydrogen 2.863 N/A ALA 37.A N VAL 46.A O no hydrogen 3.020 N/A PHE 38.A N GLN 21.A O no hydrogen 2.955 N/A ASP 39.A N LEU 44.A O no hydrogen 2.783 N/A THR 40.A N ARG 19.A O no hydrogen 2.955 N/A THR 40.A OG1 ARG 19.A O no hydrogen 2.730 N/A LYS 41.A N ASP 39.A OD1 no hydrogen 3.230 N/A THR 42.A N ASP 39.A O no hydrogen 3.143 N/A THR 42.A OG1 ASP 39.A OD2 no hydrogen 3.002 N/A GLY 43.A N ASP 39.A O no hydrogen 2.700 N/A LEU 44.A N THR 42.A OG1 no hydrogen 3.017 N/A ARG 45.A N GLU 350.A OE1 no hydrogen 2.972 N/A VAL 46.A N ALA 37.A O no hydrogen 2.876 N/A ALA 47.A N THR 102.A O no hydrogen 2.956 N/A VAL 48.A N CYS 35.A O no hydrogen 2.720 N/A LYS 49.A N LEU 100.A O no hydrogen 2.808 N/A LYS 49.A NZ ALA 30.A O no hydrogen 2.536 N/A LYS 49.A NZ GLU 67.A OE1 no hydrogen 3.088 N/A LYS 49.A NZ GLU 67.A OE2 no hydrogen 2.668 N/A LYS 50.A N SER 33.A O no hydrogen 3.056 N/A LYS 50.A NZ THR 12.A OG1 no hydrogen 3.262 N/A LYS 50.A NZ ILE 13.A O no hydrogen 2.564 N/A LEU 51.A N VAL 98.A O no hydrogen 3.027 N/A SER 52.A N TYR 31.A O no hydrogen 2.910 N/A GLN 56.A N ARG 53.A O no hydrogen 3.224 N/A HIS 60.A N SER 57.A OG no hydrogen 3.065 N/A HIS 60.A ND1 ARG 53.A O no hydrogen 2.508 N/A ALA 61.A N SER 57.A O no hydrogen 2.710 N/A LYS 62.A N ILE 58.A O no hydrogen 2.729 N/A LYS 62.A NZ GLU 319.A O no hydrogen 2.716 N/A ARG 63.A N ILE 59.A O no hydrogen 3.238 N/A ARG 63.A NE THR 171.A O no hydrogen 3.118 N/A ARG 63.A NH2 THR 171.A O no hydrogen 3.182 N/A THR 64.A N HIS 60.A O no hydrogen 2.949 N/A THR 64.A OG1 PRO 54.A O no hydrogen 2.936 N/A THR 64.A OG1 HIS 60.A O no hydrogen 2.745 N/A TYR 65.A N ALA 61.A O no hydrogen 3.193 N/A ARG 66.A N LYS 62.A O no hydrogen 2.796 N/A ARG 66.A NE GLU 319.A OE1 no hydrogen 3.203 N/A ARG 66.A NE GLU 319.A OE2 no hydrogen 2.943 N/A ARG 66.A NH2 GLU 319.A OE1 no hydrogen 2.801 N/A GLU 67.A N ARG 63.A O no hydrogen 2.923 N/A LEU 68.A N THR 64.A O no hydrogen 3.051 N/A ARG 69.A N TYR 65.A O no hydrogen 2.891 N/A ARG 69.A NH1 TYR 65.A OH no hydrogen 3.075 N/A ARG 69.A NH2 ASP 315.A O no hydrogen 3.367 N/A LEU 70.A N ARG 66.A O no hydrogen 2.916 N/A LEU 71.A N GLU 67.A O no hydrogen 2.916 N/A LYS 72.A N LEU 68.A O no hydrogen 2.964 N/A LYS 72.A NZ GLU 335.A O no hydrogen 2.952 N/A LYS 72.A NZ GLU 335.A OE1 no hydrogen 2.575 N/A HIS 73.A N ARG 69.A O no hydrogen 3.283 N/A HIS 73.A N LEU 70.A O no hydrogen 3.097 N/A HIS 73.A NE2 ASP 312.A O no hydrogen 2.862 N/A MET 74.A N LEU 71.A O no hydrogen 3.422 N/A LYS 75.A N TYR 131.A OH no hydrogen 3.091 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.355 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 3.031 N/A ASN 78.A ND2 LEU 155.A O no hydrogen 3.371 N/A VAL 79.A N HIS 76.A O no hydrogen 3.190 N/A ILE 80.A N ILE 157.A O no hydrogen 2.995 N/A LEU 83.A N VAL 101.A O no hydrogen 2.770 N/A ASP 84.A N VAL 101.A O no hydrogen 3.183 N/A PHE 86.A N TYR 99.A O no hydrogen 3.171 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.718 N/A ALA 89.A N THR 87.A OG1 no hydrogen 3.356 N/A GLU 93.A N SER 91.A OG no hydrogen 3.286 N/A PHE 95.A N LEU 92.A O no hydrogen 3.310 N/A TYR 99.A N PHE 86.A O no hydrogen 3.060 N/A LEU 100.A N LYS 49.A O no hydrogen 3.010 N/A VAL 101.A N ASP 84.A O no hydrogen 2.780 N/A THR 102.A N ALA 47.A O no hydrogen 3.072 N/A THR 102.A OG1 HIS 103.A O no hydrogen 2.819 N/A LEU 104.A N ARG 45.A O no hydrogen 3.309 N/A ALA 107.A N VAL 149.A O no hydrogen 3.036 N/A LEU 109.A N LEU 147.A O no hydrogen 2.857 N/A ASN 110.A N ASP 108.A OD1 no hydrogen 3.110 N/A ASN 111.A N ASP 108.A O no hydrogen 2.843 N/A ASN 111.A ND2 ASP 108.A O no hydrogen 3.172 N/A ILE 112.A N ASP 108.A O no hydrogen 3.208 N/A HIS 117.A ND1 THR 114.A OG1 no hydrogen 2.349 N/A VAL 118.A N THR 114.A O no hydrogen 3.168 N/A GLN 119.A N ASP 115.A O no hydrogen 2.744 N/A GLN 119.A NE2 ASP 115.A OD2 no hydrogen 2.515 N/A PHE 120.A N ASP 116.A O no hydrogen 3.243 N/A LEU 121.A N HIS 117.A O no hydrogen 3.017 N/A ILE 122.A N VAL 118.A O no hydrogen 3.084 N/A TYR 123.A N GLN 119.A O no hydrogen 2.892 N/A TYR 123.A OH GLU 308.A OE2 no hydrogen 2.582 N/A GLN 124.A N PHE 120.A O no hydrogen 3.029 N/A GLN 124.A NE2 PHE 120.A O no hydrogen 3.228 N/A GLN 124.A NE2 CYS 153.A O no hydrogen 2.907 N/A ILE 125.A N LEU 121.A O no hydrogen 3.077 N/A LEU 126.A N ILE 122.A O no hydrogen 3.008 N/A ARG 127.A N TYR 123.A O no hydrogen 2.956 N/A ARG 127.A NE ASP 307.A O no hydrogen 2.689 N/A ARG 127.A NH1 ASN 78.A OD1 no hydrogen 2.610 N/A ARG 127.A NH2 ASP 307.A O no hydrogen 2.856 N/A ARG 127.A NH2 ASP 307.A OD1 no hydrogen 3.220 N/A GLY 128.A N GLN 124.A O no hydrogen 2.765 N/A LEU 129.A N ILE 125.A O no hydrogen 2.683 N/A LYS 130.A N LEU 126.A O no hydrogen 3.070 N/A LYS 130.A NZ GLU 308.A O no hydrogen 3.044 N/A TYR 131.A N ARG 127.A O no hydrogen 3.295 N/A TYR 131.A OH HIS 73.A O no hydrogen 3.353 N/A ILE 132.A N GLY 128.A O no hydrogen 3.177 N/A HIS 133.A N LEU 129.A O no hydrogen 2.688 N/A HIS 133.A NE2 ASP 196.A OD2 no hydrogen 2.837 N/A SER 134.A N LYS 130.A O no hydrogen 3.025 N/A SER 134.A OG LYS 130.A O no hydrogen 3.328 N/A SER 134.A OG TYR 131.A O no hydrogen 2.590 N/A ALA 135.A N ILE 132.A O no hydrogen 3.134 N/A ASP 136.A N HIS 133.A O no hydrogen 2.813 N/A ILE 137.A N ILE 132.A O no hydrogen 3.085 N/A HIS 139.A N ASP 196.A OD2 no hydrogen 2.809 N/A HIS 139.A NE2 LEU 158.A O no hydrogen 3.055 N/A ARG 140.A N ASP 196.A OD1 no hydrogen 2.871 N/A ARG 140.A NE TYR 191.A OH no hydrogen 2.678 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 2.946 N/A LYS 143.A N ASN 146.A OD1 no hydrogen 3.214 N/A LYS 143.A NZ ASP 141.A OD2 no hydrogen 2.813 N/A LYS 143.A NZ THR 176.A OG1 no hydrogen 3.001 N/A ASN 146.A N LYS 143.A O no hydrogen 3.022 N/A ASN 146.A ND2 ASP 141.A O no hydrogen 3.019 N/A LEU 147.A N PRO 144.A O no hydrogen 3.234 N/A ALA 148.A N LYS 156.A O no hydrogen 3.212 N/A VAL 149.A N ALA 107.A O no hydrogen 3.031 N/A ASN 150.A N GLU 154.A O no hydrogen 2.830 N/A LEU 155.A N GLN 124.A OE1 no hydrogen 2.962 N/A LYS 156.A N ALA 148.A O no hydrogen 2.753 N/A LYS 156.A NZ GLU 77.A O no hydrogen 2.919 N/A ILE 157.A N ASN 78.A O no hydrogen 2.901 N/A LEU 158.A N ASN 146.A O no hydrogen 2.968 N/A GLY 161.A N HIS 139.A O no hydrogen 3.417 N/A THR 166.A OG1 GLU 169.A OE2 no hydrogen 2.974 N/A ASP 168.A N THR 166.A OG1 no hydrogen 3.360 N/A THR 171.A OG1 LEU 162.A O no hydrogen 2.961 N/A TYR 173.A OH ASP 141.A OD2 no hydrogen 3.190 N/A THR 176.A N ASP 141.A OD1 no hydrogen 3.052 N/A ARG 177.A NH2 GLY 216.A O no hydrogen 3.448 N/A TRP 178.A NE1 GLY 216.A O no hydrogen 2.952 N/A TYR 179.A N THR 176.A O no hydrogen 3.373 N/A TYR 179.A OH GLU 206.A OE1 no hydrogen 2.548 N/A TYR 179.A OH GLU 206.A OE2 no hydrogen 3.315 N/A ARG 180.A N ARG 177.A O no hydrogen 3.488 N/A ARG 180.A NH2 ARG 140.A O no hydrogen 2.801 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.592 N/A ILE 184.A N ALA 181.A O no hydrogen 3.141 N/A MET 185.A N ALA 181.A O no hydrogen 3.262 N/A MET 185.A N PRO 182.A O no hydrogen 2.839 N/A LEU 186.A N PRO 182.A O no hydrogen 2.992 N/A HIS 190.A NE2 ASP 285.A OD1 no hydrogen 2.705 N/A TYR 191.A OH HIS 165.A O no hydrogen 2.601 N/A ASN 192.A ND2 THR 194.A OG1 no hydrogen 2.401 N/A THR 194.A OG1 SER 284.A O no hydrogen 3.224 N/A VAL 195.A N ASN 192.A O no hydrogen 3.277 N/A ASP 196.A N GLN 193.A O no hydrogen 3.135 N/A TRP 198.A N THR 194.A O no hydrogen 3.139 N/A SER 199.A N VAL 195.A O no hydrogen 3.326 N/A SER 199.A OG TYR 179.A O no hydrogen 2.668 N/A SER 199.A OG VAL 195.A O no hydrogen 3.227 N/A VAL 200.A N ASP 196.A O no hydrogen 2.850 N/A GLY 201.A N ILE 197.A O no hydrogen 2.889 N/A CYS 202.A N TRP 198.A O no hydrogen 3.098 N/A CYS 202.A SG TRP 178.A O no hydrogen 4.048 N/A CYS 202.A SG TRP 198.A O no hydrogen 3.489 N/A ILE 203.A N SER 199.A O no hydrogen 3.035 N/A MET 204.A N VAL 200.A O no hydrogen 2.825 N/A ALA 205.A N GLY 201.A O no hydrogen 2.904 N/A GLU 206.A N CYS 202.A O no hydrogen 3.128 N/A LEU 207.A N ILE 203.A O no hydrogen 2.984 N/A LEU 208.A N MET 204.A O no hydrogen 3.355 N/A THR 209.A N ALA 205.A O no hydrogen 3.196 N/A THR 209.A OG1 ALA 205.A O no hydrogen 2.813 N/A THR 209.A OG1 ARG 211.A O no hydrogen 3.426 N/A GLY 210.A N GLU 206.A O no hydrogen 2.862 N/A ARG 211.A N THR 209.A OG1 no hydrogen 3.013 N/A GLY 216.A N GLN 222.A OE1 no hydrogen 3.343 N/A THR 217.A N ASP 221.A OD2 no hydrogen 2.900 N/A THR 217.A OG1 ASP 221.A OD2 no hydrogen 3.098 N/A ILE 220.A N ASP 218.A OD1 no hydrogen 2.886 N/A ASP 221.A N ASP 218.A OD1 no hydrogen 3.039 N/A GLN 222.A N ASP 218.A O no hydrogen 3.040 N/A LEU 223.A N HIS 219.A O no hydrogen 2.970 N/A LYS 224.A N ILE 220.A O no hydrogen 2.847 N/A LEU 225.A N ASP 221.A O no hydrogen 2.943 N/A ILE 226.A N GLN 222.A O no hydrogen 3.042 N/A LEU 227.A N LEU 223.A O no hydrogen 3.167 N/A ARG 228.A N LYS 224.A O no hydrogen 3.076 N/A LEU 229.A N ILE 226.A O no hydrogen 3.073 N/A VAL 230.A N ILE 226.A O no hydrogen 2.895 N/A THR 232.A N MET 256.A O no hydrogen 2.917 N/A THR 232.A OG1 MET 256.A O no hydrogen 2.778 N/A LEU 238.A N GLY 234.A O no hydrogen 3.008 N/A LYS 239.A N ALA 235.A O no hydrogen 3.205 N/A LYS 239.A NZ GLU 236.A OE1 no hydrogen 3.202 N/A LYS 240.A N LEU 237.A O no hydrogen 2.856 N/A LYS 240.A NZ ASP 283.A OD1 no hydrogen 2.716 N/A LYS 240.A NZ ASP 283.A OD2 no hydrogen 2.915 N/A LYS 240.A NZ ASP 285.A OD2 no hydrogen 2.551 N/A ILE 241.A N LEU 238.A O no hydrogen 3.062 N/A ALA 246.A N SER 243.A OG no hydrogen 3.027 N/A ARG 247.A N GLU 244.A O no hydrogen 3.233 N/A ARG 247.A NH1 ILE 241.A O no hydrogen 2.652 N/A ARG 247.A NH1 SER 242.A O no hydrogen 3.169 N/A ASN 248.A N GLU 244.A O no hydrogen 3.081 N/A TYR 249.A N SER 245.A O no hydrogen 3.131 N/A ILE 250.A N ARG 247.A O no hydrogen 2.820 N/A GLN 251.A N ARG 247.A O no hydrogen 2.913 N/A SER 252.A N ASN 248.A O no hydrogen 3.041 N/A SER 252.A OG ASN 248.A O no hydrogen 2.311 N/A LEU 253.A N TYR 249.A O no hydrogen 3.202 N/A LYS 258.A NZ GLU 277.A OE2 no hydrogen 2.667 N/A MET 259.A N LEU 229.A O no hydrogen 3.006 N/A ASN 263.A N ASN 260.A O no hydrogen 3.063 N/A VAL 264.A N ASN 260.A O no hydrogen 3.247 N/A PHE 265.A N PHE 261.A O no hydrogen 2.813 N/A ALA 268.A N PHE 265.A O no hydrogen 3.214 N/A ASN 269.A ND2 ASP 115.A OD2 no hydrogen 2.857 N/A LEU 271.A N ASN 269.A OD1 no hydrogen 3.250 N/A VAL 273.A N ASN 269.A O no hydrogen 3.013 N/A ASP 274.A N PRO 270.A O no hydrogen 3.045 N/A LEU 275.A N LEU 271.A O no hydrogen 3.186 N/A LEU 276.A N ALA 272.A O no hydrogen 3.364 N/A GLU 277.A N VAL 273.A O no hydrogen 3.074 N/A LYS 278.A N ASP 274.A O no hydrogen 3.194 N/A LYS 278.A NZ ASP 274.A OD1 no hydrogen 3.341 N/A MET 279.A N LEU 276.A O no hydrogen 3.104 N/A LEU 280.A N LEU 276.A O no hydrogen 2.757 N/A SER 284.A OG HIS 190.A O no hydrogen 3.377 N/A ASP 285.A N ASP 283.A OD1 no hydrogen 2.953 N/A LYS 286.A N ASP 283.A O no hydrogen 2.917 N/A ARG 287.A N ASP 283.A O no hydrogen 3.107 N/A ARG 287.A NE VAL 281.A O no hydrogen 2.739 N/A ARG 287.A NH1 GLU 183.A OE2 no hydrogen 2.792 N/A ARG 287.A NH1 THR 194.A O no hydrogen 3.062 N/A ARG 287.A NH2 GLU 183.A OE1 no hydrogen 2.984 N/A ARG 287.A NH2 VAL 281.A O no hydrogen 2.938 N/A ILE 288.A N LYS 278.A O no hydrogen 3.267 N/A THR 289.A N GLN 292.A OE1 no hydrogen 3.087 N/A GLN 292.A N THR 289.A OG1 no hydrogen 3.053 N/A ALA 293.A N THR 289.A O no hydrogen 2.918 N/A LEU 294.A N ALA 290.A O no hydrogen 3.151 N/A LEU 294.A N ALA 291.A O no hydrogen 3.159 N/A ALA 295.A N GLN 292.A O no hydrogen 3.262 N/A HIS 296.A N ALA 293.A O no hydrogen 3.038 N/A HIS 296.A NE2 ASP 274.A OD1 no hydrogen 3.003 N/A TYR 298.A N HIS 296.A ND1 no hydrogen 2.883 N/A TYR 298.A OH ASP 115.A OD1 no hydrogen 2.764 N/A PHE 299.A N HIS 296.A O no hydrogen 2.860 N/A ALA 300.A N ALA 297.A O no hydrogen 2.825 N/A TYR 302.A OH ASP 116.A OD1 no hydrogen 2.673 N/A HIS 303.A ND1 GLU 308.A OE2 no hydrogen 2.893 N/A ASP 304.A N GLU 308.A OE2 no hydrogen 3.256 N/A ASP 306.A N ASP 304.A OD1 no hydrogen 3.182 N/A ASP 307.A N ASP 304.A O no hydrogen 3.221 N/A ALA 311.A N SER 134.A OG no hydrogen 3.077 N/A GLN 316.A NE2 ASP 136.A O no hydrogen 3.005 N/A SER 317.A N ASP 315.A OD1 no hydrogen 3.064 N/A SER 317.A OG ASP 315.A OD1 no hydrogen 3.217 N/A GLU 319.A N GLN 316.A O no hydrogen 3.196 N/A SER 320.A N SER 317.A O no hydrogen 3.124 N/A SER 320.A OG SER 317.A O no hydrogen 2.850 N/A ARG 321.A N PHE 318.A O no hydrogen 3.220 N/A ARG 321.A NH1 SER 317.A OG no hydrogen 2.666 N/A ARG 321.A NH2 SER 317.A OG no hydrogen 3.220 N/A LEU 324.A N GLU 327.A OE1 no hydrogen 2.800 N/A TRP 328.A N LEU 324.A O no hydrogen 3.102 N/A LYS 329.A N ILE 325.A O no hydrogen 2.827 N/A SER 330.A N ASP 326.A O no hydrogen 3.162 N/A SER 330.A OG ASP 334.A OD2 no hydrogen 3.556 N/A LEU 331.A N GLU 327.A O no hydrogen 3.202 N/A THR 332.A N TRP 328.A O no hydrogen 2.959 N/A THR 332.A OG1 TRP 328.A O no hydrogen 3.030 N/A TYR 333.A N LYS 329.A O no hydrogen 3.103 N/A ASP 334.A N SER 330.A O no hydrogen 2.974 N/A GLU 335.A N LEU 331.A O no hydrogen 3.218 N/A VAL 336.A N THR 332.A O no hydrogen 2.911 N/A ILE 337.A N TYR 333.A O no hydrogen 2.908 N/A SER 338.A N ASP 334.A O no hydrogen 3.048 N/A SER 338.A OG ASP 334.A O no hydrogen 2.972 N/A SER 338.A OG GLU 335.A O no hydrogen 2.971 N/A PHE 339.A N VAL 336.A O no hydrogen 3.313 N/A