Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7a3q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 38.A OD2 no hydrogen 3.173 N/A ARG 2.A N ASP 38.A OD2 no hydrogen 3.059 N/A ARG 2.A NE GLU 40.A OE1 no hydrogen 2.880 N/A ARG 2.A NH2 GLU 40.A OE1 no hydrogen 3.335 N/A ARG 2.A NH2 GLU 40.A OE2 no hydrogen 3.536 N/A CYS 3.A N ASP 38.A OD2 no hydrogen 3.207 N/A VAL 6.A N CYS 3.A O no hydrogen 3.246 N/A ARG 9.A NE THR 28.A OG1 no hydrogen 2.814 N/A ARG 9.A NH1 HIS 295.A ND1 no hydrogen 3.289 N/A ARG 9.A NH1 GLU 346.A OE2 no hydrogen 2.809 N/A ARG 9.A NH2 THR 28.A OG1 no hydrogen 2.933 N/A ARG 9.A NH2 GLU 346.A OE1 no hydrogen 2.804 N/A ASP 10.A N CYS 26.A O no hydrogen 3.176 N/A VAL 12.A N THR 28.A O no hydrogen 2.884 N/A GLY 14.A N MET 30.A O no hydrogen 3.395 N/A VAL 17.A N VAL 265.A O no hydrogen 3.147 N/A LEU 19.A N CYS 263.A O no hydrogen 3.007 N/A LEU 21.A N LEU 261.A O no hydrogen 2.796 N/A HIS 23.A N GLY 259.A O no hydrogen 3.429 N/A GLY 25.A N GLU 22.A O no hydrogen 3.409 N/A CYS 26.A N ASN 8.A O no hydrogen 3.091 N/A VAL 27.A N PHE 39.A O no hydrogen 2.875 N/A THR 28.A N ASP 10.A O no hydrogen 2.909 N/A THR 28.A OG1 ASP 38.A OD1 no hydrogen 2.866 N/A THR 29.A N LEU 37.A O no hydrogen 2.822 N/A THR 29.A OG1 LEU 37.A O no hydrogen 3.284 N/A MET 30.A N VAL 12.A O no hydrogen 2.881 N/A LYS 34.A N ALA 31.A O no hydrogen 3.216 N/A LYS 34.A NZ MET 267.A O no hydrogen 3.080 N/A THR 36.A N SER 332.A OG no hydrogen 2.955 N/A THR 36.A OG1 ILE 330.A O no hydrogen 2.706 N/A LEU 37.A N THR 29.A O no hydrogen 3.311 N/A ASP 38.A N THR 138.A O no hydrogen 2.768 N/A PHE 39.A N VAL 27.A O no hydrogen 2.788 N/A GLU 40.A N VAL 136.A O no hydrogen 3.129 N/A THR 42.A N THR 134.A O no hydrogen 2.782 N/A THR 45.A N GLU 132.A O no hydrogen 2.966 N/A ALA 46.A N HIS 255.A O no hydrogen 3.084 N/A LYS 47.A NZ GLU 132.A OE2 no hydrogen 3.399 N/A ALA 50.A N LEU 125.A O no hydrogen 3.175 N/A LEU 52.A N GLY 123.A O no hydrogen 2.829 N/A ARG 53.A N GLY 123.A O no hydrogen 3.414 N/A ARG 53.A NH1 TYR 55.A OH no hydrogen 2.863 N/A THR 54.A N THR 204.A O no hydrogen 2.991 N/A TYR 55.A N ILE 121.A O no hydrogen 2.805 N/A TYR 55.A OH PHE 196.A O no hydrogen 2.703 N/A CYS 56.A N PRO 202.A O no hydrogen 2.882 N/A CYS 56.A SG GLU 58.A O no hydrogen 3.332 N/A CYS 56.A SG GLY 119.A O no hydrogen 3.980 N/A ILE 57.A N GLY 119.A O no hydrogen 2.816 N/A GLU 58.A N GLY 119.A O no hydrogen 3.142 N/A SER 60.A N SER 116.A O no hydrogen 2.919 N/A SER 60.A OG SER 116.A O no hydrogen 3.557 N/A SER 62.A N LYS 114.A O no hydrogen 3.152 N/A THR 65.A N CYS 112.A O no hydrogen 2.949 N/A THR 65.A OG1 CYS 112.A O no hydrogen 3.535 N/A ALA 67.A N VAL 110.A O no hydrogen 2.967 N/A ARG 69.A N GLY 108.A O no hydrogen 3.112 N/A GLN 73.A N CYS 70.A O no hydrogen 3.408 N/A LEU 78.A N GLU 81.A OE1 no hydrogen 2.905 N/A GLU 80.A N GLU 80.A OE1 no hydrogen 2.827 N/A GLU 81.A N LEU 78.A O no hydrogen 3.285 N/A GLN 82.A N LYS 79.A O no hydrogen 3.274 N/A ASP 83.A N GLU 80.A O no hydrogen 3.215 N/A GLN 85.A N ASP 83.A OD1 no hydrogen 3.078 N/A ILE 87.A N ALA 113.A O no hydrogen 2.805 N/A CYS 88.A SG GLU 80.A O no hydrogen 3.856 N/A ARG 89.A N THR 111.A O no hydrogen 3.055 N/A ARG 89.A NH1 CYS 88.A O no hydrogen 2.939 N/A ARG 90.A NH1 PRO 76.A O no hydrogen 2.811 N/A ARG 90.A NH2 PRO 76.A O no hydrogen 2.794 N/A ARG 90.A NH2 GLU 81.A OE2 no hydrogen 2.827 N/A ASP 91.A N VAL 109.A O no hydrogen 3.036 N/A VAL 93.A N GLY 107.A O no hydrogen 2.918 N/A ARG 95.A N GLY 105.A O no hydrogen 2.804 N/A ARG 95.A NH2 ASN 99.A O no hydrogen 2.786 N/A TRP 97.A NE1 GLY 102.A O no hydrogen 3.037 N/A ASN 99.A N GLY 96.A O no hydrogen 2.867 N/A GLY 100.A N TRP 97.A O no hydrogen 3.365 N/A CYS 101.A N GLY 96.A O no hydrogen 3.102 N/A GLY 105.A N ARG 95.A O no hydrogen 3.256 N/A LYS 106.A NZ ASP 94.A OD1 no hydrogen 3.269 N/A GLY 107.A N VAL 93.A O no hydrogen 2.796 N/A VAL 109.A N ASP 91.A O no hydrogen 2.964 N/A VAL 110.A N ALA 67.A O no hydrogen 3.059 N/A THR 111.A N ARG 89.A O no hydrogen 3.118 N/A CYS 112.A N THR 65.A O no hydrogen 2.821 N/A ALA 113.A N ILE 87.A O no hydrogen 3.035 N/A LYS 114.A N SER 62.A O no hydrogen 2.797 N/A PHE 115.A N GLN 85.A O no hydrogen 2.902 N/A SER 116.A N SER 60.A O no hydrogen 3.132 N/A CYS 117.A SG GLU 58.A O no hydrogen 3.491 N/A CYS 117.A SG GLY 119.A O no hydrogen 3.284 N/A SER 118.A N GLU 58.A O no hydrogen 2.891 N/A SER 118.A OG GLU 58.A OE1 no hydrogen 3.244 N/A GLY 119.A N GLU 58.A O no hydrogen 3.308 N/A ILE 121.A N TYR 55.A O no hydrogen 2.819 N/A THR 122.A N LYS 183.A O no hydrogen 3.107 N/A THR 122.A OG1 ASN 124.A OD1 no hydrogen 3.392 N/A GLY 123.A N ARG 53.A O no hydrogen 2.841 N/A ASN 124.A N LEU 181.A O no hydrogen 2.843 N/A LEU 125.A N ALA 50.A O no hydrogen 2.808 N/A GLN 127.A NE2 GLU 129.A OE1 no hydrogen 3.467 N/A GLU 129.A N GLU 129.A OE2 no hydrogen 3.022 N/A ASN 130.A N GLN 127.A O no hydrogen 3.015 N/A LEU 131.A N ILE 128.A O no hydrogen 3.466 N/A GLU 132.A N THR 45.A O no hydrogen 2.931 N/A TYR 133.A N ILE 147.A O no hydrogen 2.847 N/A THR 134.A N LYS 43.A O no hydrogen 2.872 N/A VAL 135.A N ALA 145.A O no hydrogen 2.864 N/A VAL 136.A N GLU 40.A O no hydrogen 2.905 N/A VAL 137.A N VAL 143.A O no hydrogen 3.122 N/A THR 138.A N ASP 38.A O no hydrogen 2.822 N/A HIS 140.A N THR 36.A O no hydrogen 3.341 N/A HIS 140.A NE2 ASP 38.A OD1 no hydrogen 3.202 N/A ASN 141.A ND2 VAL 139.A O no hydrogen 2.874 N/A VAL 143.A N VAL 137.A O no hydrogen 2.997 N/A ALA 145.A N VAL 135.A O no hydrogen 2.802 N/A ILE 147.A N TYR 133.A O no hydrogen 2.890 N/A THR 148.A N SER 151.A O no hydrogen 3.355 N/A VAL 154.A N LEU 166.A O no hydrogen 3.058 N/A VAL 156.A N LEU 164.A O no hydrogen 2.783 N/A LYS 157.A NZ GLU 163.A OE2 no hydrogen 3.282 N/A LEU 158.A N GLY 162.A O no hydrogen 2.981 N/A TYR 161.A N LEU 158.A O no hydrogen 3.255 N/A GLY 162.A N LEU 158.A O no hydrogen 3.189 N/A GLU 163.A N LYS 269.A O no hydrogen 3.431 N/A LEU 164.A N VAL 156.A O no hydrogen 2.956 N/A THR 165.A N ARG 266.A O no hydrogen 3.391 N/A THR 165.A OG1 GLU 155.A OE2 no hydrogen 2.897 N/A LEU 166.A N VAL 154.A O no hydrogen 2.797 N/A ASP 167.A N LYS 264.A O no hydrogen 2.976 N/A GLU 169.A N LYS 262.A O no hydrogen 2.927 N/A ARG 171.A N GLU 169.A O no hydrogen 2.793 N/A GLU 178.A N ASP 175.A O no hydrogen 2.806 N/A ILE 180.A N VAL 191.A O no hydrogen 2.736 N/A LEU 181.A N ASN 124.A O no hydrogen 2.863 N/A MET 182.A N TRP 189.A O no hydrogen 2.853 N/A LYS 183.A N THR 122.A O no hydrogen 2.816 N/A LYS 183.A NZ LYS 185.A O no hydrogen 2.815 N/A MET 184.A N LYS 187.A O no hydrogen 2.955 N/A LYS 185.A NZ GLU 235.A OE1 no hydrogen 3.182 N/A LYS 187.A N MET 184.A O no hydrogen 3.099 N/A THR 188.A OG1 SER 250.A OG no hydrogen 3.032 N/A TRP 189.A N MET 182.A O no hydrogen 2.786 N/A LEU 190.A N THR 246.A O no hydrogen 3.094 N/A VAL 191.A N ILE 180.A O no hydrogen 2.818 N/A LYS 193.A N GLU 178.A O no hydrogen 2.857 N/A GLN 194.A NE2 GLN 194.A O no hydrogen 3.589 N/A GLN 194.A NE2 ASP 198.A OD1 no hydrogen 3.424 N/A GLN 194.A NE2 ASP 198.A OD2 no hydrogen 3.462 N/A PHE 196.A N HIS 192.A O no hydrogen 3.092 N/A LEU 197.A N LYS 193.A O no hydrogen 3.077 N/A ASP 198.A N GLN 194.A O no hydrogen 2.955 N/A LEU 199.A N PHE 196.A O no hydrogen 3.331 N/A LEU 201.A N LEU 199.A O no hydrogen 2.948 N/A TRP 203.A N ASN 210.A O no hydrogen 3.027 N/A THR 204.A N THR 54.A O no hydrogen 2.962 N/A THR 204.A OG1 HIS 208.A O no hydrogen 3.246 N/A ASN 210.A N TRP 203.A O no hydrogen 2.885 N/A ASN 210.A ND2 TRP 203.A O no hydrogen 3.510 N/A LYS 212.A NZ GLN 84.A O no hydrogen 2.815 N/A LYS 212.A NZ TRP 209.A O no hydrogen 3.217 N/A ARG 214.A N TYR 211.A O no hydrogen 3.411 N/A ARG 214.A NH1 LEU 201.A O no hydrogen 3.118 N/A MET 215.A N LYS 212.A O no hydrogen 2.925 N/A VAL 216.A N GLU 213.A O no hydrogen 3.413 N/A THR 217.A N THR 229.A O no hydrogen 3.028 N/A THR 217.A OG1 THR 229.A O no hydrogen 2.924 N/A THR 217.A OG1 THR 229.A OG1 no hydrogen 2.964 N/A LYS 219.A NZ VAL 220.A O no hydrogen 2.842 N/A THR 229.A OG1 THR 217.A OG1 no hydrogen 2.964 N/A LEU 231.A N MET 215.A O no hydrogen 2.766 N/A GLN 234.A N ILE 57.A O no hydrogen 2.804 N/A MET 238.A N GLN 234.A O no hydrogen 2.888 N/A HIS 239.A N GLU 235.A O no hydrogen 3.159 N/A SER 240.A N GLY 236.A O no hydrogen 3.178 N/A SER 240.A OG GLY 236.A O no hydrogen 3.084 N/A ALA 241.A N ALA 237.A O no hydrogen 3.274 N/A VAL 248.A N THR 188.A O no hydrogen 2.783 N/A ASP 249.A N MET 256.A O no hydrogen 3.286 N/A SER 250.A OG THR 188.A OG1 no hydrogen 3.032 N/A GLY 253.A N GLY 251.A O no hydrogen 2.962 N/A HIS 255.A N ALA 46.A O no hydrogen 3.468 N/A MET 256.A N ASP 249.A O no hydrogen 2.815 N/A PHE 257.A N THR 44.A O no hydrogen 2.884 N/A HIS 260.A N SER 172.A OG no hydrogen 2.809 N/A LEU 261.A N LEU 21.A O no hydrogen 2.813 N/A CYS 263.A N LEU 19.A O no hydrogen 2.804 N/A LYS 264.A N ASP 167.A O no hydrogen 2.823 N/A VAL 265.A N VAL 17.A O no hydrogen 3.097 N/A ARG 266.A N THR 165.A O no hydrogen 2.892 N/A ARG 271.A N TYR 161.A O no hydrogen 2.810 N/A MET 275.A N ILE 272.A O no hydrogen 3.398 N/A TYR 277.A N GLY 274.A O no hydrogen 3.064 N/A CYS 280.A N LYS 312.A O no hydrogen 2.859 N/A CYS 280.A SG LYS 312.A O no hydrogen 3.196 N/A GLY 282.A N TYR 304.A OH no hydrogen 2.938 N/A SER 285.A N LYS 303.A O no hydrogen 3.077 N/A SER 285.A OG LYS 303.A O no hydrogen 3.422 N/A SER 285.A OG GLU 305.A OE2 no hydrogen 3.042 N/A ASP 287.A N LYS 301.A O no hydrogen 2.842 N/A LYS 288.A N LYS 301.A O no hydrogen 3.295 N/A ALA 291.A N VAL 299.A O no hydrogen 3.025 N/A THR 293.A N THR 297.A O no hydrogen 2.788 N/A THR 293.A OG1 HIS 295.A ND1 no hydrogen 3.159 N/A THR 293.A OG1 THR 297.A O no hydrogen 3.179 N/A THR 293.A OG1 THR 297.A OG1 no hydrogen 2.700 N/A HIS 295.A N THR 293.A OG1 no hydrogen 3.361 N/A HIS 295.A NE2 VAL 6.A O no hydrogen 2.655 N/A THR 297.A OG1 THR 293.A OG1 no hydrogen 2.700 N/A THR 297.A OG1 GLU 346.A OE2 no hydrogen 2.725 N/A THR 298.A N LEU 347.A O no hydrogen 2.776 N/A THR 298.A OG1 LEU 347.A O no hydrogen 3.420 N/A VAL 299.A N ALA 291.A O no hydrogen 2.964 N/A VAL 300.A N ILE 345.A O no hydrogen 3.171 N/A LYS 301.A N LYS 288.A O no hydrogen 3.346 N/A VAL 302.A N THR 343.A O no hydrogen 2.863 N/A LYS 303.A N SER 285.A O no hydrogen 2.822 N/A TYR 304.A N SER 341.A O no hydrogen 2.999 N/A TYR 304.A OH ALA 307.A O no hydrogen 2.661 N/A GLU 305.A N LYS 283.A O no hydrogen 3.113 N/A CYS 311.A N ALA 336.A O no hydrogen 3.190 N/A LYS 312.A N THR 278.A O no hydrogen 2.748 N/A VAL 313.A N PRO 334.A O no hydrogen 2.806 N/A GLU 316.A N VAL 357.A O no hydrogen 3.245 N/A ARG 318.A N TYR 355.A O no hydrogen 2.923 N/A ASP 319.A N LYS 324.A O no hydrogen 3.144 N/A ASN 321.A N ASP 319.A OD2 no hydrogen 3.316 N/A ASN 321.A ND2 ASP 319.A OD2 no hydrogen 3.324 N/A LYS 322.A N ASP 319.A O no hydrogen 2.999 N/A GLU 323.A N ASP 319.A OD1 no hydrogen 2.915 N/A LYS 324.A N ASP 319.A OD1 no hydrogen 2.810 N/A VAL 326.A N ILE 317.A O no hydrogen 2.875 N/A GLY 327.A N ILE 317.A O no hydrogen 3.456 N/A ARG 328.A NH2 GLU 348.A OE2 no hydrogen 3.212 N/A ILE 330.A N GLU 346.A O no hydrogen 2.818 N/A SER 331.A N GLU 346.A O no hydrogen 3.302 N/A ALA 336.A N CYS 311.A O no hydrogen 2.817 N/A THR 339.A OG1 GLY 306.A O no hydrogen 3.567 N/A ASN 340.A N TYR 304.A O no hydrogen 2.800 N/A THR 343.A N VAL 302.A O no hydrogen 2.845 N/A THR 343.A OG1 LEU 335.A O no hydrogen 2.950 N/A ASN 344.A N ASN 141.A O no hydrogen 3.388 N/A ILE 345.A N VAL 300.A O no hydrogen 2.945 N/A GLU 346.A N SER 331.A OG no hydrogen 2.816 N/A LEU 347.A N THR 298.A O no hydrogen 2.817 N/A GLU 348.A N ARG 328.A O no hydrogen 2.766 N/A GLY 352.A N ARG 371.A O no hydrogen 2.978 N/A SER 354.A N TRP 369.A O no hydrogen 3.061 N/A SER 354.A OG TRP 369.A O no hydrogen 3.520 N/A TYR 355.A N ARG 318.A O no hydrogen 2.958 N/A ILE 356.A N LEU 367.A O no hydrogen 2.801 N/A VAL 357.A N GLU 316.A O no hydrogen 3.035 N/A ILE 358.A N LEU 365.A O no hydrogen 2.817 N/A GLY 359.A N PRO 314.A O no hydrogen 3.020 N/A SER 363.A OG VAL 360.A O no hydrogen 3.032 N/A ALA 364.A N GLY 361.A O no hydrogen 3.385 N/A LEU 365.A N ILE 358.A O no hydrogen 2.779 N/A LEU 367.A N ILE 356.A O no hydrogen 2.883 N/A TRP 369.A N SER 354.A O no hydrogen 2.901 N/A ARG 371.A N GLY 352.A O no hydrogen 3.191 N/A ARG 371.A NH1 PRO 349.A O no hydrogen 2.815 N/A