Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3py3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 8.A NH2 PRO 95.A O no hydrogen 2.869 N/A TYR 12.A N VAL 23.A O no hydrogen 3.023 N/A TYR 12.A OH TYR 27.A O no hydrogen 2.665 N/A ARG 13.A NH1 GLU 22.A OE1 no hydrogen 3.099 N/A GLN 14.A N TRP 21.A O no hydrogen 3.066 N/A LEU 16.A N THR 19.A O no hydrogen 2.830 N/A THR 19.A N LEU 16.A O no hydrogen 3.128 N/A TRP 21.A N GLN 14.A O no hydrogen 2.725 N/A GLU 22.A N TYR 106.A OH no hydrogen 2.980 N/A VAL 23.A N TYR 12.A O no hydrogen 3.157 N/A GLU 25.A N THR 10.A O no hydrogen 2.750 N/A ARG 26.A NE ASP 46.A OD1 no hydrogen 2.797 N/A ARG 26.A NH2 ASP 46.A OD1 no hydrogen 3.567 N/A ARG 26.A NH2 ASP 46.A OD2 no hydrogen 2.905 N/A TYR 27.A N PRO 24.A O no hydrogen 3.014 N/A TYR 27.A OH ASP 91.A OD2 no hydrogen 2.629 N/A GLN 28.A N PHE 45.A O no hydrogen 3.015 N/A SER 31.A N ALA 43.A O no hydrogen 2.995 N/A VAL 33.A N VAL 41.A O no hydrogen 3.005 N/A TYR 38.A OH HIS 67.A NE2 no hydrogen 3.206 N/A VAL 41.A N GLY 34.A O no hydrogen 3.100 N/A CYS 42.A N VAL 55.A O no hydrogen 2.873 N/A ALA 43.A N SER 31.A O no hydrogen 2.847 N/A ALA 44.A N VAL 53.A O no hydrogen 2.889 N/A PHE 45.A N GLN 28.A O no hydrogen 2.759 N/A ASP 46.A N HIS 51.A O no hydrogen 2.853 N/A THR 47.A N ARG 26.A O no hydrogen 2.982 N/A THR 47.A OG1 ARG 26.A O no hydrogen 2.679 N/A LYS 48.A N ASP 46.A OD1 no hydrogen 2.899 N/A THR 49.A N ASP 46.A O no hydrogen 3.190 N/A GLY 50.A N ASP 46.A O no hydrogen 2.731 N/A HIS 51.A N THR 49.A OG1 no hydrogen 3.149 N/A VAL 53.A N ALA 44.A O no hydrogen 2.899 N/A ALA 54.A N THR 109.A O no hydrogen 2.804 N/A VAL 55.A N CYS 42.A O no hydrogen 2.674 N/A LYS 56.A N LEU 107.A O no hydrogen 2.831 N/A LYS 57.A N SER 40.A O no hydrogen 2.994 N/A LYS 57.A NZ THR 19.A OG1 no hydrogen 3.032 N/A LYS 57.A NZ ILE 20.A O no hydrogen 2.740 N/A LEU 58.A N VAL 105.A O no hydrogen 2.610 N/A SER 59.A OG ASP 104.A OD1 no hydrogen 3.026 N/A ARG 60.A NH2 ALA 37.A O no hydrogen 3.388 N/A GLN 63.A N ARG 60.A O no hydrogen 3.361 N/A SER 64.A OG HIS 67.A ND1 no hydrogen 2.377 N/A HIS 67.A N SER 64.A OG no hydrogen 3.231 N/A HIS 67.A ND1 SER 64.A OG no hydrogen 2.377 N/A ALA 68.A N SER 64.A O no hydrogen 2.791 N/A LYS 69.A N ILE 65.A O no hydrogen 3.092 N/A LYS 69.A NZ GLU 329.A O no hydrogen 2.867 N/A ARG 70.A N ILE 66.A O no hydrogen 3.130 N/A THR 71.A N HIS 67.A O no hydrogen 2.867 N/A THR 71.A OG1 PRO 61.A O no hydrogen 2.781 N/A THR 71.A OG1 HIS 67.A O no hydrogen 3.010 N/A TYR 72.A N ALA 68.A O no hydrogen 3.036 N/A ARG 73.A N LYS 69.A O no hydrogen 2.992 N/A GLU 74.A N ARG 70.A O no hydrogen 2.855 N/A LEU 75.A N THR 71.A O no hydrogen 2.945 N/A ARG 76.A N TYR 72.A O no hydrogen 3.045 N/A ARG 76.A NE TYR 324.A OH no hydrogen 3.121 N/A ARG 76.A NH1 GLU 345.A OE2 no hydrogen 2.923 N/A ARG 76.A NH2 ASP 325.A O no hydrogen 3.307 N/A LEU 77.A N ARG 73.A O no hydrogen 2.970 N/A LEU 78.A N GLU 74.A O no hydrogen 2.846 N/A LYS 79.A N LEU 75.A O no hydrogen 2.876 N/A LYS 79.A NZ GLU 345.A O no hydrogen 2.719 N/A LYS 79.A NZ GLU 345.A OE1 no hydrogen 2.890 N/A HIS 80.A N ARG 76.A O no hydrogen 2.970 N/A HIS 80.A N LEU 77.A O no hydrogen 2.985 N/A HIS 80.A NE2 ASP 322.A O no hydrogen 2.809 N/A MET 81.A N LEU 77.A O no hydrogen 3.105 N/A LYS 82.A N TYR 143.A OH no hydrogen 2.949 N/A ASN 85.A N HIS 83.A ND1 no hydrogen 2.880 N/A ASN 85.A ND2 LEU 167.A O no hydrogen 3.115 N/A VAL 86.A N HIS 83.A O no hydrogen 3.071 N/A ILE 87.A N ILE 169.A O no hydrogen 2.903 N/A LEU 90.A N VAL 108.A O no hydrogen 2.739 N/A ASP 91.A N VAL 108.A O no hydrogen 3.306 N/A PHE 93.A N TYR 106.A O no hydrogen 3.026 N/A THR 94.A OG1 ASP 104.A O no hydrogen 2.910 N/A ALA 96.A N THR 94.A OG1 no hydrogen 3.285 N/A ARG 97.A N GLU 101.A OE1 no hydrogen 2.792 N/A GLU 101.A N SER 98.A O no hydrogen 2.742 N/A PHE 102.A N LEU 99.A O no hydrogen 3.051 N/A ASN 103.A ND2 SER 59.A O no hydrogen 3.149 N/A ASN 103.A ND2 ASP 104.A OD1 no hydrogen 2.985 N/A VAL 105.A N LEU 58.A O no hydrogen 2.958 N/A TYR 106.A N PHE 93.A O no hydrogen 3.027 N/A LEU 107.A N LYS 56.A O no hydrogen 2.868 N/A VAL 108.A N ASP 91.A O no hydrogen 2.724 N/A THR 109.A N ALA 54.A O no hydrogen 3.023 N/A THR 109.A OG1 HIS 110.A O no hydrogen 3.347 N/A ASP 115.A N ASN 118.A OD1 no hydrogen 2.954 N/A LEU 116.A N PRO 156.A O no hydrogen 3.279 N/A LEU 116.A N LEU 159.A O no hydrogen 2.907 N/A ASN 118.A N ASP 115.A OD1 no hydrogen 3.125 N/A ILE 119.A N ASP 115.A O no hydrogen 3.301 N/A VAL 120.A N LEU 116.A O no hydrogen 2.981 N/A LYS 121.A N ASN 117.A O no hydrogen 3.268 N/A CYS 122.A N ASN 118.A O no hydrogen 3.202 N/A CYS 122.A N ILE 119.A O no hydrogen 3.270 N/A CYS 122.A SG ASN 118.A O no hydrogen 3.356 N/A GLN 123.A N ILE 119.A O no hydrogen 3.262 N/A GLN 123.A NE2 ILE 119.A O no hydrogen 2.688 N/A THR 126.A N HIS 129.A ND1 no hydrogen 3.437 N/A THR 126.A OG1 HIS 129.A ND1 no hydrogen 3.361 N/A HIS 129.A N THR 126.A OG1 no hydrogen 3.101 N/A VAL 130.A N THR 126.A O no hydrogen 3.026 N/A GLN 131.A N ASP 127.A O no hydrogen 2.824 N/A GLN 131.A NE2 ASP 127.A OD2 no hydrogen 2.978 N/A PHE 132.A N ASP 128.A O no hydrogen 2.961 N/A LEU 133.A N HIS 129.A O no hydrogen 2.729 N/A ILE 134.A N VAL 130.A O no hydrogen 2.920 N/A TYR 135.A N GLN 131.A O no hydrogen 2.906 N/A TYR 135.A OH GLU 318.A OE2 no hydrogen 2.687 N/A GLN 136.A N PHE 132.A O no hydrogen 3.221 N/A GLN 136.A NE2 PHE 132.A O no hydrogen 2.935 N/A GLN 136.A NE2 CYS 165.A O no hydrogen 2.959 N/A ILE 137.A N LEU 133.A O no hydrogen 3.096 N/A LEU 138.A N ILE 134.A O no hydrogen 2.907 N/A ARG 139.A N TYR 135.A O no hydrogen 2.810 N/A ARG 139.A NE ASP 317.A O no hydrogen 2.918 N/A ARG 139.A NH1 GLU 84.A OE1 no hydrogen 3.065 N/A ARG 139.A NH1 ASN 85.A OD1 no hydrogen 2.928 N/A ARG 139.A NH2 ASP 317.A O no hydrogen 2.802 N/A ARG 139.A NH2 ASP 317.A OD1 no hydrogen 3.188 N/A GLY 140.A N GLN 136.A O no hydrogen 2.933 N/A LEU 141.A N ILE 137.A O no hydrogen 2.772 N/A LYS 142.A N LEU 138.A O no hydrogen 2.822 N/A LYS 142.A NZ GLU 318.A O no hydrogen 2.798 N/A ILE 144.A N GLY 140.A O no hydrogen 2.964 N/A HIS 145.A N LEU 141.A O no hydrogen 2.864 N/A HIS 145.A NE2 ASP 206.A OD2 no hydrogen 2.834 N/A SER 146.A N LYS 142.A O no hydrogen 3.043 N/A SER 146.A OG LYS 142.A O no hydrogen 3.312 N/A SER 146.A OG TYR 143.A O no hydrogen 2.530 N/A ALA 147.A N TYR 143.A O no hydrogen 3.235 N/A ALA 147.A N ILE 144.A O no hydrogen 2.987 N/A ASP 148.A N HIS 145.A O no hydrogen 2.778 N/A ILE 149.A N ILE 144.A O no hydrogen 3.382 N/A ILE 150.A N ARG 176.A O no hydrogen 2.766 N/A HIS 151.A N ASP 206.A OD2 no hydrogen 2.859 N/A HIS 151.A NE2 LEU 170.A O no hydrogen 2.861 N/A ARG 152.A N ASP 206.A OD1 no hydrogen 2.843 N/A ARG 152.A NE TYR 201.A OH no hydrogen 3.102 N/A ARG 152.A NH1 LEU 174.A O no hydrogen 2.847 N/A ARG 152.A NH2 GLY 183.A O no hydrogen 3.260 N/A ARG 152.A NH2 TYR 201.A OH no hydrogen 2.899 N/A ASP 153.A N HIS 151.A ND1 no hydrogen 2.987 N/A LYS 155.A NZ ASP 153.A OD2 no hydrogen 3.014 N/A LYS 155.A NZ THR 186.A OG1 no hydrogen 2.723 N/A ASN 158.A N LYS 155.A O no hydrogen 2.861 N/A ASN 158.A ND2 ASP 153.A O no hydrogen 2.996 N/A LEU 159.A N PRO 156.A O no hydrogen 3.102 N/A ALA 160.A N LYS 168.A O no hydrogen 2.882 N/A VAL 161.A N ALA 114.A O no hydrogen 2.990 N/A ASN 162.A N GLU 166.A O no hydrogen 2.983 N/A ASN 162.A ND2 GLU 166.A OE1 no hydrogen 3.051 N/A ASP 164.A N ASN 162.A OD1 no hydrogen 2.903 N/A CYS 165.A N ASN 162.A O no hydrogen 2.803 N/A GLU 166.A N ASN 162.A OD1 no hydrogen 3.032 N/A LEU 167.A N GLN 136.A OE1 no hydrogen 2.865 N/A LYS 168.A N ALA 160.A O no hydrogen 2.945 N/A LYS 168.A NZ GLU 84.A O no hydrogen 3.011 N/A ILE 169.A N ASN 85.A O no hydrogen 2.760 N/A LEU 170.A N ASN 158.A O no hydrogen 2.847 N/A GLY 173.A N ASP 171.A OD2 no hydrogen 2.933 N/A ALA 175.A N PHE 172.A O no hydrogen 3.338 N/A ARG 176.A N ILE 150.A O no hydrogen 3.046 N/A ARG 176.A NH1 GLY 173.A O no hydrogen 3.357 N/A ARG 176.A NH1 ALA 175.A O no hydrogen 2.901 N/A THR 178.A N ASP 148.A O no hydrogen 2.972 N/A THR 178.A OG1 ASP 179.A OD2 no hydrogen 3.498 N/A ASP 179.A N HIS 177.A ND1 no hydrogen 3.009 N/A ASP 180.A N HIS 177.A O no hydrogen 3.144 N/A THR 186.A OG1 ASP 153.A OD1 no hydrogen 2.635 N/A THR 186.A OG1 ASP 153.A OD2 no hydrogen 3.248 N/A ARG 187.A NE GLY 226.A O no hydrogen 2.824 N/A ARG 187.A NH2 GLY 226.A O no hydrogen 3.321 N/A TRP 188.A NE1 GLY 226.A O no hydrogen 2.994 N/A TYR 189.A OH GLU 216.A OE1 no hydrogen 2.498 N/A TYR 189.A OH GLU 216.A OE2 no hydrogen 3.298 N/A ARG 190.A NH1 VAL 184.A O no hydrogen 2.859 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.702 N/A ILE 194.A N ALA 191.A O no hydrogen 2.833 N/A MET 195.A N ALA 191.A O no hydrogen 3.174 N/A LEU 196.A N PRO 192.A O no hydrogen 2.984 N/A ASN 197.A N ILE 194.A O no hydrogen 3.110 N/A ASN 202.A ND2 THR 204.A OG1 no hydrogen 2.551 N/A GLN 203.A NE2 HIS 145.A O no hydrogen 2.830 N/A GLN 203.A NE2 ILE 149.A O no hydrogen 3.410 N/A THR 204.A OG1 SER 294.A O no hydrogen 3.433 N/A VAL 205.A N ASN 202.A O no hydrogen 3.133 N/A ASP 206.A N GLN 203.A O no hydrogen 2.975 N/A TRP 208.A N THR 204.A O no hydrogen 3.077 N/A SER 209.A N VAL 205.A O no hydrogen 3.270 N/A SER 209.A OG TYR 189.A O no hydrogen 2.715 N/A SER 209.A OG VAL 205.A O no hydrogen 3.397 N/A VAL 210.A N ASP 206.A O no hydrogen 2.967 N/A GLY 211.A N ILE 207.A O no hydrogen 2.896 N/A CYS 212.A N TRP 208.A O no hydrogen 2.952 N/A CYS 212.A SG TRP 208.A O no hydrogen 3.515 N/A ILE 213.A N SER 209.A O no hydrogen 2.986 N/A MET 214.A N VAL 210.A O no hydrogen 2.839 N/A ALA 215.A N GLY 211.A O no hydrogen 2.929 N/A GLU 216.A N CYS 212.A O no hydrogen 3.110 N/A LEU 217.A N ILE 213.A O no hydrogen 2.859 N/A LEU 218.A N MET 214.A O no hydrogen 2.894 N/A THR 219.A N ALA 215.A O no hydrogen 2.967 N/A THR 219.A OG1 ALA 215.A O no hydrogen 3.395 N/A GLY 220.A N GLU 216.A O no hydrogen 2.784 N/A ARG 221.A N THR 219.A OG1 no hydrogen 3.115 N/A GLY 226.A N PHE 224.A O no hydrogen 2.950 N/A GLY 226.A N GLN 232.A OE1 no hydrogen 2.983 N/A THR 227.A N ASP 231.A OD2 no hydrogen 2.832 N/A THR 227.A OG1 ASP 231.A OD2 no hydrogen 3.349 N/A ASP 231.A N ASP 228.A OD1 no hydrogen 3.003 N/A GLN 232.A N ASP 228.A O no hydrogen 2.943 N/A GLN 232.A NE2 TRP 188.A O no hydrogen 3.565 N/A GLN 232.A NE2 PHE 224.A O no hydrogen 3.148 N/A LEU 233.A N HIS 229.A O no hydrogen 3.067 N/A LYS 234.A N ILE 230.A O no hydrogen 2.964 N/A LEU 235.A N ASP 231.A O no hydrogen 2.903 N/A ILE 236.A N GLN 232.A O no hydrogen 3.091 N/A LEU 237.A N LEU 233.A O no hydrogen 2.872 N/A ARG 238.A N LYS 234.A O no hydrogen 3.015 N/A LEU 239.A N ILE 236.A O no hydrogen 3.127 N/A VAL 240.A N ILE 236.A O no hydrogen 2.928 N/A GLY 241.A N LEU 237.A O no hydrogen 2.768 N/A THR 242.A N MET 266.A O no hydrogen 2.775 N/A LEU 248.A N GLY 244.A O no hydrogen 3.235 N/A LYS 249.A N ALA 245.A O no hydrogen 3.300 N/A LYS 249.A N GLU 246.A O no hydrogen 3.059 N/A LYS 250.A N LEU 247.A O no hydrogen 3.307 N/A ILE 251.A N LEU 248.A O no hydrogen 3.217 N/A SER 252.A N LEU 248.A O no hydrogen 3.253 N/A SER 252.A OG LEU 248.A O no hydrogen 3.272 N/A SER 252.A OG SER 253.A O no hydrogen 3.520 N/A SER 253.A OG SER 255.A OG no hydrogen 3.260 N/A SER 255.A OG SER 253.A OG no hydrogen 3.260 N/A ALA 256.A N SER 253.A O no hydrogen 2.655 N/A ARG 257.A N SER 253.A O no hydrogen 2.618 N/A ASN 258.A N GLU 254.A O no hydrogen 2.778 N/A ILE 260.A N ALA 256.A O no hydrogen 2.845 N/A GLN 261.A N ARG 257.A O no hydrogen 3.009 N/A SER 262.A N ASN 258.A O no hydrogen 3.097 N/A LEU 263.A N TYR 259.A O no hydrogen 3.248 N/A LEU 263.A N ILE 260.A O no hydrogen 2.683 N/A LYS 268.A NZ MET 269.A O no hydrogen 3.334 N/A LYS 268.A NZ GLU 287.A OE2 no hydrogen 2.832 N/A MET 269.A N LEU 239.A O no hydrogen 2.774 N/A ASN 273.A N ASN 270.A O no hydrogen 3.416 N/A ASN 273.A N ASN 270.A OD1 no hydrogen 2.957 N/A PHE 275.A N PHE 271.A O no hydrogen 3.019 N/A ALA 278.A N PHE 275.A O no hydrogen 2.976 N/A ASN 279.A ND2 ASP 127.A OD2 no hydrogen 3.103 N/A LEU 281.A N ASN 279.A OD1 no hydrogen 2.676 N/A VAL 283.A N ASN 279.A O no hydrogen 3.082 N/A ASP 284.A N PRO 280.A O no hydrogen 3.041 N/A LEU 285.A N LEU 281.A O no hydrogen 3.029 N/A LEU 286.A N ALA 282.A O no hydrogen 2.983 N/A GLU 287.A N VAL 283.A O no hydrogen 3.027 N/A LYS 288.A N ASP 284.A O no hydrogen 3.194 N/A LYS 288.A N LEU 285.A O no hydrogen 2.964 N/A LYS 288.A NZ ASP 284.A OD1 no hydrogen 3.296 N/A LYS 288.A NZ ASP 284.A OD2 no hydrogen 3.443 N/A MET 289.A N LEU 285.A O no hydrogen 3.023 N/A MET 289.A N LEU 286.A O no hydrogen 2.963 N/A LEU 290.A N LEU 286.A O no hydrogen 2.826 N/A ASP 295.A N ASP 293.A OD1 no hydrogen 2.928 N/A LYS 296.A N ASP 293.A O no hydrogen 2.913 N/A ARG 297.A N ASP 293.A O no hydrogen 3.219 N/A ARG 297.A NE VAL 291.A O no hydrogen 3.084 N/A ARG 297.A NH1 GLU 193.A OE2 no hydrogen 2.682 N/A ARG 297.A NH1 THR 204.A O no hydrogen 2.967 N/A ARG 297.A NH2 GLU 193.A OE1 no hydrogen 3.042 N/A ARG 297.A NH2 GLU 193.A OE2 no hydrogen 3.199 N/A ARG 297.A NH2 VAL 291.A O no hydrogen 3.181 N/A ILE 298.A N LYS 288.A O no hydrogen 3.194 N/A THR 299.A N GLN 302.A OE1 no hydrogen 3.018 N/A GLN 302.A N THR 299.A OG1 no hydrogen 3.123 N/A ALA 303.A N THR 299.A O no hydrogen 2.791 N/A LEU 304.A N ALA 300.A O no hydrogen 2.982 N/A ALA 305.A N GLN 302.A O no hydrogen 2.919 N/A HIS 306.A N ALA 303.A O no hydrogen 2.910 N/A HIS 306.A NE2 ASP 284.A OD2 no hydrogen 2.690 N/A TYR 308.A N HIS 306.A ND1 no hydrogen 2.916 N/A TYR 308.A OH ASP 127.A OD1 no hydrogen 2.625 N/A PHE 309.A N HIS 306.A O no hydrogen 2.958 N/A ALA 310.A N ALA 307.A O no hydrogen 2.889 N/A TYR 312.A N PHE 309.A O no hydrogen 2.778 N/A TYR 312.A OH ASP 128.A OD1 no hydrogen 2.628 N/A HIS 313.A N PHE 309.A O no hydrogen 2.779 N/A HIS 313.A ND1 GLU 318.A OE2 no hydrogen 2.824 N/A ASP 314.A N GLU 318.A OE2 no hydrogen 2.891 N/A ASP 316.A N ASP 314.A OD1 no hydrogen 3.099 N/A ASP 317.A N ASP 314.A O no hydrogen 2.762 N/A ALA 321.A N SER 146.A OG no hydrogen 2.856 N/A TYR 324.A N ALA 147.A O no hydrogen 3.115 N/A TYR 324.A OH GLU 329.A OE1 no hydrogen 2.513 N/A SER 327.A N ASP 325.A OD1 no hydrogen 2.853 N/A SER 327.A OG ASP 325.A OD1 no hydrogen 2.898 N/A SER 327.A OG ASP 325.A OD2 no hydrogen 3.559 N/A GLU 329.A N GLN 326.A O no hydrogen 2.949 N/A SER 330.A N SER 327.A O no hydrogen 3.147 N/A SER 330.A OG SER 327.A O no hydrogen 2.727 N/A ARG 331.A N PHE 328.A O no hydrogen 3.123 N/A LEU 334.A N GLU 337.A OE1 no hydrogen 2.831 N/A GLU 337.A N LEU 334.A O no hydrogen 3.020 N/A TRP 338.A N LEU 334.A O no hydrogen 3.054 N/A LYS 339.A N ILE 335.A O no hydrogen 3.029 N/A LYS 339.A NZ PHE 102.A O no hydrogen 2.945 N/A SER 340.A N ASP 336.A O no hydrogen 2.809 N/A LEU 341.A N GLU 337.A O no hydrogen 3.090 N/A THR 342.A N TRP 338.A O no hydrogen 2.984 N/A THR 342.A OG1 TRP 338.A O no hydrogen 3.045 N/A TYR 343.A N LYS 339.A O no hydrogen 2.845 N/A ASP 344.A N SER 340.A O no hydrogen 2.906 N/A GLU 345.A N LEU 341.A O no hydrogen 3.086 N/A VAL 346.A N THR 342.A O no hydrogen 2.953 N/A ILE 347.A N TYR 343.A O no hydrogen 2.989 N/A SER 348.A N ASP 344.A O no hydrogen 2.968 N/A SER 348.A OG ASP 344.A O no hydrogen 2.916 N/A SER 348.A OG GLU 345.A O no hydrogen 3.381 N/A PHE 349.A N VAL 346.A O no hydrogen 3.200 N/A