Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rr1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASP 24.A OD2 no hydrogen 2.951 N/A ILE 4.A N GLN 56.A O no hydrogen 2.946 N/A THR 5.A N GLU 22.A O no hydrogen 2.725 N/A ARG 6.A N GLU 22.A O no hydrogen 3.491 N/A THR 8.A N LYS 20.A O no hydrogen 2.950 N/A THR 9.A OG1 GLU 43.A OE2 no hydrogen 2.651 N/A THR 9.A OG1 HIS 47.A NE2 no hydrogen 2.694 N/A TYR 10.A N PHE 18.A O no hydrogen 2.801 N/A ARG 11.A NE.B GLU 43.A OE1 no hydrogen 2.889 N/A ARG 11.A NH2.B GLU 43.A OE1 no hydrogen 3.242 N/A LEU 12.A N TRP 16.A O no hydrogen 2.815 N/A TRP 16.A N LEU 12.A O no hydrogen 3.410 N/A PHE 18.A N TYR 10.A O no hydrogen 2.913 N/A LEU 19.A N GLY 31.A O no hydrogen 2.788 N/A LYS 20.A N THR 8.A O no hydrogen 2.781 N/A LYS 20.A NZ TYR 10.A OH no hydrogen 3.055 N/A LYS 20.A NZ GLU 347.A OE1 no hydrogen 2.519 N/A VAL 21.A N GLY 29.A O no hydrogen 2.796 N/A GLU 22.A N ARG 6.A O no hydrogen 2.902 N/A THR 23.A OG1 VAL 27.A O no hydrogen 2.805 N/A ASP 24.A N LYS 3.A O no hydrogen 2.869 N/A GLY 26.A N THR 23.A O no hydrogen 3.185 N/A VAL 27.A N THR 23.A OG1 no hydrogen 3.297 N/A GLY 29.A N VAL 21.A O no hydrogen 2.905 N/A TRP 30.A N ASP 93.A OD2 no hydrogen 2.874 N/A GLY 31.A N LEU 19.A O no hydrogen 2.983 N/A GLU 32.A N GLN 89.A OE1 no hydrogen 2.744 N/A VAL 34.A N SER 261.A O no hydrogen 3.136 N/A ARG 38.A N ILE 35.A O no hydrogen 2.724 N/A ARG 38.A NH1 GLY 37.A O no hydrogen 3.293 N/A VAL 42.A N ARG 38.A O no hydrogen 3.110 N/A GLU 43.A N ALA 39.A O no hydrogen 2.974 N/A ALA 44.A N ARG 40.A O no hydrogen 3.002 N/A ALA 45.A N THR 41.A O no hydrogen 2.977 N/A VAL 46.A N VAL 42.A O no hydrogen 2.889 N/A HIS 47.A N GLU 43.A O no hydrogen 3.037 N/A HIS 47.A NE2 THR 9.A OG1 no hydrogen 2.694 N/A GLU 48.A N ALA 44.A O no hydrogen 2.811 N/A LEU 49.A N ALA 45.A O no hydrogen 2.825 N/A SER 50.A N VAL 46.A O no hydrogen 2.903 N/A SER 50.A OG VAL 46.A O no hydrogen 2.895 N/A ASP 51.A N GLU 48.A O no hydrogen 3.284 N/A TYR 52.A N LEU 49.A O no hydrogen 2.810 N/A LEU 53.A N SER 50.A O no hydrogen 2.958 N/A ILE 54.A N SER 50.A O no hydrogen 3.061 N/A GLY 55.A N ILE 4.A O no hydrogen 2.895 N/A GLN 56.A N LEU 53.A O no hydrogen 2.858 N/A SER 59.A N ASP 57.A OD1 no hydrogen 2.868 N/A SER 59.A OG ASP 57.A OD1 no hydrogen 2.723 N/A ARG 60.A N ASP 57.A O no hydrogen 3.316 N/A ARG 60.A NE ASP 63.A OD2 no hydrogen 3.070 N/A ARG 60.A NH2 ASP 63.A OD2 no hydrogen 3.270 N/A LEU 64.A N ARG 60.A O no hydrogen 3.051 N/A TRP 65.A N ILE 61.A O no hydrogen 2.721 N/A TRP 65.A NE1 GLY 264.A O no hydrogen 2.786 N/A GLN 66.A N ASN 62.A O no hydrogen 3.040 N/A THR 67.A N ASP 63.A O no hydrogen 2.818 N/A THR 67.A OG1 ASP 63.A O no hydrogen 2.728 N/A THR 67.A OG1 ASP 63.A OD1 no hydrogen 3.290 N/A MET 68.A N LEU 64.A O no hydrogen 2.961 N/A TYR 69.A N TRP 65.A O no hydrogen 2.951 N/A ARG 70.A N GLN 66.A O no hydrogen 2.891 N/A ARG 70.A NE GLN 66.A OE1 no hydrogen 2.808 N/A ARG 70.A NH1 GLN 66.A OE1 no hydrogen 2.842 N/A ALA 71.A N THR 67.A O no hydrogen 3.099 N/A MET 81.A N GLY 77.A O no hydrogen 3.044 N/A SER 82.A OG.A PRO 78.A O no hydrogen 2.748 N/A SER 82.A OG.B VAL 34.A O no hydrogen 2.688 N/A SER 82.A OG.B SER 261.A O no hydrogen 3.509 N/A ALA 83.A N ILE 79.A O no hydrogen 3.078 N/A ILE 84.A N LEU 80.A O no hydrogen 2.915 N/A ALA 85.A N MET 81.A O no hydrogen 2.810 N/A GLY 86.A N SER 82.A O no hydrogen 3.056 N/A ILE 87.A N ALA 83.A O no hydrogen 3.085 N/A ASP 88.A N ILE 84.A O no hydrogen 2.852 N/A GLN 89.A N ALA 85.A O no hydrogen 3.091 N/A GLN 89.A NE2 GLU 32.A O no hydrogen 3.484 N/A GLN 89.A NE2 LEU 260.A O no hydrogen 3.104 N/A GLN 89.A NE2 SER 261.A OG no hydrogen 3.123 N/A ALA 90.A N GLY 86.A O no hydrogen 3.296 N/A LEU 91.A N ILE 87.A O no hydrogen 2.945 N/A TRP 92.A N ASP 88.A O no hydrogen 3.043 N/A TRP 92.A NE1 THR 267.A OG1 no hydrogen 2.994 N/A ASP 93.A N GLN 89.A O no hydrogen 2.879 N/A ILE 94.A N ALA 90.A O no hydrogen 2.915 N/A LYS 95.A N LEU 91.A O no hydrogen 2.998 N/A LYS 95.A NZ SER 59.A O no hydrogen 2.911 N/A GLY 96.A N TRP 92.A O no hydrogen 3.002 N/A LYS 97.A N ASP 93.A O no hydrogen 3.118 N/A LYS 97.A NZ THR 28.A O no hydrogen 2.735 N/A LYS 97.A NZ ASP 93.A OD2 no hydrogen 3.374 N/A VAL 98.A N ILE 94.A O no hydrogen 2.813 N/A LEU 99.A N LYS 95.A O no hydrogen 2.924 N/A GLY 100.A N LYS 97.A O no hydrogen 3.269 N/A VAL 101.A N GLY 96.A O no hydrogen 2.885 N/A VAL 103.A N GLY 340.A O no hydrogen 3.052 N/A GLU 105.A N PRO 102.A O no hydrogen 2.980 N/A LEU 107.A N VAL 103.A O no hydrogen 3.133 N/A GLY 109.A N TYR 104.A O no hydrogen 2.790 N/A VAL 111.A N PHE 302.A O no hydrogen 2.925 N/A ARG 112.A NH1 ASP 301.A O no hydrogen 2.775 N/A ARG 112.A NH1 SER 304.A O no hydrogen 2.777 N/A ARG 112.A NH2 TRP 305.A O no hydrogen 3.075 N/A MET 115.A N ILE 333.A O no hydrogen 2.821 N/A THR 117.A N GLY 331.A O no hydrogen 2.817 N/A THR 117.A OG1 GLY 331.A O no hydrogen 2.658 N/A TYR 118.A N GLN 310.A O no hydrogen 3.101 N/A TRP 120.A NE1 ASN 147.A OD1 no hydrogen 3.258 N/A VAL 121.A N LYS 145.A O no hydrogen 2.948 N/A ARG 125.A N ASP 128.A OD2 no hydrogen 3.123 N/A ILE 130.A N PRO 126.A O no hydrogen 3.066 N/A ALA 131.A N ALA 127.A O no hydrogen 3.025 N/A GLY 132.A N ASP 128.A O no hydrogen 3.232 N/A MET 133.A N VAL 129.A O no hydrogen 2.930 N/A LYS 134.A N ILE 130.A O no hydrogen 2.884 N/A ALA 135.A N ALA 131.A O no hydrogen 3.205 N/A LEU 136.A N GLY 132.A O no hydrogen 3.265 N/A GLN 137.A N MET 133.A O no hydrogen 2.841 N/A ALA 138.A N LYS 134.A O no hydrogen 3.136 N/A GLY 140.A N GLN 137.A O no hydrogen 3.396 N/A PHE 141.A N LEU 136.A O no hydrogen 3.026 N/A HIS 143.A ND1 ASP 142.A OD1 no hydrogen 2.786 N/A PHE 144.A N GLU 180.A O no hydrogen 2.890 N/A LYS 145.A N SER 119.A O no hydrogen 3.005 N/A LYS 145.A NZ GLU 210.A OE2 no hydrogen 3.399 N/A LEU 146.A N GLY 182.A O no hydrogen 2.936 N/A GLY 148.A N ASP 184.A O no hydrogen 2.817 N/A CYS 149.A SG GLU 151.A O no hydrogen 3.377 N/A CYS 149.A SG GLY 153.A O no hydrogen 3.426 N/A ILE 155.A N ARG 188.A O no hydrogen 2.838 N/A ARG 159.A NH1.B GLU 151.A OE2 no hydrogen 2.914 N/A ARG 159.A NH2.B GLU 151.A OE1 no hydrogen 3.341 N/A ARG 159.A NH2.B GLU 151.A OE2 no hydrogen 3.119 N/A ALA 160.A N THR 157.A OG1 no hydrogen 3.190 N/A VAL 161.A N THR 157.A O no hydrogen 2.967 N/A ASP 162.A N SER 158.A O no hydrogen 3.003 N/A ALA 163.A N ARG 159.A O no hydrogen 3.063 N/A ALA 164.A N ALA 160.A O no hydrogen 3.482 N/A VAL 165.A N VAL 161.A O no hydrogen 2.940 N/A ALA 166.A N ASP 162.A O no hydrogen 2.845 N/A ARG 167.A N ALA 163.A O no hydrogen 3.029 N/A ARG 167.A NH1 ASN 147.A O no hydrogen 3.087 N/A ARG 167.A NH2 ASN 147.A O no hydrogen 2.819 N/A VAL 168.A N ALA 164.A O no hydrogen 3.168 N/A ALA 169.A N VAL 165.A O no hydrogen 2.786 N/A GLU 170.A N ALA 166.A O no hydrogen 2.952 N/A ILE 171.A N ARG 167.A O no hydrogen 3.039 N/A ARG 172.A N VAL 168.A O no hydrogen 2.821 N/A ARG 172.A NE TYR 204.A O no hydrogen 2.901 N/A ARG 172.A NH1 GLY 176.A O no hydrogen 2.638 N/A ARG 172.A NH1 VAL 179.A O no hydrogen 2.929 N/A ARG 172.A NH2 TYR 204.A O no hydrogen 3.029 N/A SER 173.A N ALA 169.A O no hydrogen 3.057 N/A SER 173.A OG.A ALA 169.A O no hydrogen 3.129 N/A SER 173.A OG.B GLU 170.A O no hydrogen 2.846 N/A PHE 175.A N ARG 172.A O no hydrogen 3.135 N/A GLY 176.A N ARG 172.A O no hydrogen 2.739 N/A THR 178.A N PHE 175.A O no hydrogen 3.370 N/A THR 178.A OG1 PHE 175.A O no hydrogen 2.666 N/A GLU 180.A N ASP 142.A O no hydrogen 2.758 N/A GLY 182.A N PHE 144.A O no hydrogen 2.835 N/A LEU 183.A N PHE 208.A O no hydrogen 3.111 N/A ASP 184.A N LEU 146.A O no hydrogen 2.842 N/A PHE 185.A N.A GLU 210.A O no hydrogen 3.088 N/A PHE 185.A N.B GLU 210.A O no hydrogen 3.069 N/A HIS 186.A NE2.B ASN 147.A OD1 no hydrogen 2.823 N/A GLY 187.A N GLU 211.A O no hydrogen 2.920 N/A ARG 188.A N PHE 185.A O.B no hydrogen 2.816 N/A ARG 188.A NH1 GLU 370.A O no hydrogen 3.137 N/A SER 190.A N ILE 155.A O no hydrogen 3.099 N/A SER 190.A OG ILE 155.A O no hydrogen 3.504 N/A MET 193.A N SER 190.A O no hydrogen 2.946 N/A ALA 194.A N ALA 191.A O no hydrogen 3.427 N/A LEU 197.A N MET 193.A O no hydrogen 3.048 N/A ILE 198.A N ALA 194.A O no hydrogen 2.998 N/A LYS 199.A N LYS 195.A O no hydrogen 3.024 N/A GLU 200.A N VAL 196.A O no hydrogen 2.973 N/A LEU 201.A N LEU 197.A O no hydrogen 2.988 N/A GLU 202.A N LYS 199.A O no hydrogen 3.299 N/A TYR 204.A N LEU 201.A O no hydrogen 3.010 N/A ARG 205.A N GLU 202.A O no hydrogen 3.229 N/A LEU 207.A N PHE 181.A O no hydrogen 2.725 N/A ILE 209.A N PRO 231.A O no hydrogen 2.883 N/A GLU 210.A N LEU 183.A O no hydrogen 2.822 N/A GLU 211.A N ALA 233.A O no hydrogen 3.166 N/A THR 220.A OG1 GLN 217.A O no hydrogen 2.793 N/A TYR 221.A OH GLU 211.A OE1 no hydrogen 3.410 N/A ARG 223.A N GLU 219.A O no hydrogen 3.067 N/A LEU 224.A N THR 220.A O no hydrogen 3.043 N/A ALA 225.A N TYR 221.A O no hydrogen 2.881 N/A ALA 226.A N ALA 222.A O no hydrogen 3.164 N/A HIS 227.A N LEU 224.A O no hydrogen 3.077 N/A HIS 227.A ND1 ARG 223.A O no hydrogen 3.272 N/A THR 228.A N ALA 225.A O no hydrogen 3.355 N/A THR 228.A OG1 GLU 202.A OE2 no hydrogen 2.817 N/A LEU 230.A N THR 228.A OG1 no hydrogen 2.988 N/A ALA 233.A N ILE 209.A O no hydrogen 2.873 N/A ALA 234.A N ILE 255.A O no hydrogen 3.184 N/A GLY 235.A N GLU 211.A OE2 no hydrogen 3.406 N/A MET 238.A N GLY 235.A O no hydrogen 2.993 N/A PHE 239.A N ASP 243.A OD1 no hydrogen 3.352 N/A SER 240.A OG ASP 243.A OD1 no hydrogen 2.936 N/A ARG 241.A N GLU 268.A OE2 no hydrogen 2.904 N/A ARG 241.A NH1 GLU 268.A OE2 no hydrogen 2.914 N/A ASP 243.A N SER 240.A O no hydrogen 2.895 N/A PHE 244.A N SER 240.A O no hydrogen 3.072 N/A LYS 245.A N ARG 241.A O no hydrogen 2.898 N/A LEU 248.A N PHE 244.A O no hydrogen 2.924 N/A GLU 249.A N LYS 245.A O no hydrogen 2.889 N/A ALA 250.A N ARG 246.A O no hydrogen 3.440 N/A GLY 251.A N VAL 247.A O no hydrogen 3.181 N/A SER 254.A N ILE 232.A O no hydrogen 2.835 N/A ILE 255.A N ILE 232.A O no hydrogen 3.261 N/A LEU 256.A N ALA 282.A O no hydrogen 2.761 N/A GLN 257.A N ALA 234.A O no hydrogen 2.755 N/A GLN 257.A NE2 GLU 210.A OE2 no hydrogen 3.131 N/A SER 261.A N ASP 259.A OD1 no hydrogen 2.642 N/A SER 261.A OG GLU 32.A O no hydrogen 2.642 N/A HIS 262.A N ASP 259.A O no hydrogen 2.981 N/A ALA 263.A N ASP 259.A O no hydrogen 2.666 N/A THR 267.A N ASP 88.A OD1 no hydrogen 2.993 N/A THR 267.A OG1 ASP 88.A OD1 no hydrogen 3.417 N/A THR 267.A OG1 ASP 88.A OD2 no hydrogen 2.614 N/A CYS 269.A N GLY 265.A O no hydrogen 2.831 N/A CYS 269.A SG ASP 259.A O no hydrogen 4.034 N/A CYS 269.A SG ALA 263.A O no hydrogen 3.842 N/A VAL 270.A N ILE 266.A O no hydrogen 2.943 N/A ILE 272.A N GLU 268.A O no hydrogen 2.903 N/A ALA 273.A N CYS 269.A O no hydrogen 2.905 N/A ALA 274.A N VAL 270.A O no hydrogen 3.128 N/A MET 275.A N LYS 271.A O no hydrogen 2.976 N/A ALA 276.A N ILE 272.A O no hydrogen 2.919 N/A GLU 277.A N ALA 273.A O no hydrogen 3.094 N/A ALA 278.A N MET 275.A O no hydrogen 3.113 N/A TYR 279.A N ALA 276.A O no hydrogen 3.020 N/A ASP 280.A N GLU 277.A O no hydrogen 3.337 N/A VAL 281.A N ALA 276.A O no hydrogen 3.024 N/A ALA 282.A N SER 254.A O no hydrogen 3.273 N/A LEU 283.A N ASN 306.A O no hydrogen 2.997 N/A ALA 284.A N LEU 256.A O no hydrogen 2.731 N/A HIS 286.A N PRO 258.A O no hydrogen 2.810 N/A CYS 287.A N GLU 311.A OE1 no hydrogen 2.786 N/A GLY 290.A N GLU 32.A OE1 no hydrogen 2.862 N/A ALA 293.A N GLU 32.A OE2 no hydrogen 2.920 N/A LEU 294.A N GLY 290.A O no hydrogen 3.023 N/A ALA 295.A N PRO 291.A O no hydrogen 2.876 N/A ALA 296.A N ILE 292.A O no hydrogen 3.003 N/A CYS 297.A N ALA 293.A O no hydrogen 2.984 N/A CYS 297.A SG ALA 293.A O no hydrogen 3.481 N/A CYS 297.A SG GLN 310.A OE1 no hydrogen 3.917 N/A LEU 298.A N LEU 294.A O no hydrogen 2.878 N/A HIS 299.A N ALA 295.A O no hydrogen 3.058 N/A HIS 299.A ND1 ALA 295.A O no hydrogen 2.982 N/A VAL 300.A N ALA 296.A O no hydrogen 3.359 N/A ASP 301.A N CYS 297.A O no hydrogen 2.913 N/A PHE 302.A N LEU 298.A O no hydrogen 2.901 N/A VAL 303.A N VAL 300.A O no hydrogen 3.277 N/A SER 304.A N VAL 300.A O no hydrogen 3.087 N/A SER 304.A OG VAL 300.A O no hydrogen 2.711 N/A ASN 306.A ND2 ALA 273.A O no hydrogen 3.134 N/A ASN 306.A ND2 VAL 281.A O no hydrogen 3.009 N/A ALA 307.A N SER 304.A O no hydrogen 3.111 N/A THR 308.A N LEU 283.A O no hydrogen 2.933 N/A THR 308.A OG1 LEU 283.A O no hydrogen 3.556 N/A GLN 310.A N ARG 116.A O no hydrogen 2.903 N/A GLN 310.A NE2 ASP 301.A OD1 no hydrogen 2.585 N/A GLN 310.A NE2 ASP 301.A OD2 no hydrogen 3.416 N/A GLN 312.A N TYR 118.A O no hydrogen 3.072 N/A GLN 312.A NE2 SER 119.A OG no hydrogen 3.396 N/A SER 313.A OG LEU 289.A O no hydrogen 3.118 N/A MET 314.A N GLN 312.A OE1 no hydrogen 3.104 N/A ASP 318.A N GLU 315.A O no hydrogen 3.341 N/A VAL 320.A N LEU 317.A O no hydrogen 3.045 N/A ARG 321.A N ASP 344.A O no hydrogen 2.797 N/A ARG 321.A NE ASP 344.A OD1 no hydrogen 3.212 N/A ARG 321.A NH2 ASP 344.A OD1 no hydrogen 2.670 N/A ASN 322.A ND2 ASP 325.A OD1 no hydrogen 2.792 N/A ASN 322.A ND2 GLY 342.A O no hydrogen 2.859 N/A LYS 323.A NZ LEU 317.A O no hydrogen 2.855 N/A ASP 325.A N ASN 322.A O no hydrogen 3.236 N/A PHE 326.A N LYS 323.A O no hydrogen 3.059 N/A ALA 327.A N ALA 324.A O no hydrogen 3.266 N/A GLU 329.A N TYR 332.A O no hydrogen 2.990 N/A TYR 332.A N GLU 329.A O no hydrogen 3.054 N/A ILE 333.A N MET 115.A O no hydrogen 2.834 N/A ARG 334.A NH1 ASP 113.A O no hydrogen 3.421 N/A ARG 337.A NE ASP 325.A OD2 no hydrogen 3.009 N/A ARG 337.A NH2 ASP 325.A OD1 no hydrogen 3.096 N/A ARG 337.A NH2 ASP 325.A OD2 no hydrogen 3.245 N/A GLY 340.A N VAL 101.A O no hydrogen 2.919 N/A LEU 341.A N ASP 93.A OD1 no hydrogen 2.864 N/A ASP 344.A N ASN 322.A OD1 no hydrogen 2.858 N/A ASP 346.A N TYR 319.A O no hydrogen 2.818 N/A LEU 349.A N ASP 346.A OD1 no hydrogen 3.348 N/A VAL 350.A N ASP 346.A O no hydrogen 3.070 N/A ILE 351.A N GLU 347.A O no hydrogen 2.978 N/A GLU 352.A N ALA 348.A O no hydrogen 3.128 N/A ARG 353.A N LEU 349.A O no hydrogen 3.086 N/A ARG 353.A NH1 TYR 319.A OH no hydrogen 3.499 N/A SER 354.A N VAL 350.A O no hydrogen 3.041 N/A SER 354.A OG VAL 350.A O no hydrogen 3.302 N/A SER 354.A OG ILE 351.A O no hydrogen 2.819 N/A LYS 355.A N ILE 351.A O no hydrogen 3.193 N/A LYS 355.A N GLU 352.A O no hydrogen 3.220 N/A ARG 362.A NH1 GLY 366.A O no hydrogen 2.882 N/A HIS 363.A N SER 367.A O no hydrogen 2.873 N/A HIS 363.A ND1 SER 367.A OG no hydrogen 3.144 N/A GLY 366.A N HIS 363.A O no hydrogen 3.067 N/A SER 367.A N ASP 365.A OD1 no hydrogen 2.986 N/A SER 367.A OG HIS 363.A ND1 no hydrogen 3.144 N/A SER 367.A OG ASP 365.A OD1 no hydrogen 2.552 N/A ALA 369.A N TRP 361.A O no hydrogen 2.985 N/A