Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ire_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N HIS 144.A ND1 no hydrogen 3.348 N/A ARG 2.A N ILE 152.A O no hydrogen 3.382 N/A CYS 3.A SG ILE 1.A O no hydrogen 3.357 N/A CYS 3.A SG ARG 2.A O no hydrogen 3.044 N/A SER 7.A N ILE 4.A O no hydrogen 3.437 N/A SER 7.A OG VAL 6.A O no hydrogen 2.390 N/A ARG 9.A NH2 ILE 4.A O no hydrogen 3.106 N/A ASP 10.A N CYS 30.A O no hydrogen 3.310 N/A VAL 12.A N THR 32.A O no hydrogen 3.222 N/A GLY 14.A N MET 34.A O no hydrogen 3.253 N/A GLY 18.A N SER 16.A O no hydrogen 2.033 N/A TRP 20.A N GLY 17.A O no hydrogen 2.477 N/A VAL 23.A N CYS 291.A O no hydrogen 2.646 N/A CYS 30.A SG ARG 2.A O no hydrogen 3.787 N/A CYS 30.A SG ASN 8.A O no hydrogen 3.879 N/A VAL 31.A N ILE 43.A O no hydrogen 3.251 N/A THR 32.A N ASP 10.A O no hydrogen 2.883 N/A THR 32.A OG1 ASP 10.A O no hydrogen 3.519 N/A VAL 33.A N VAL 41.A O no hydrogen 2.815 N/A MET 34.A N VAL 12.A O no hydrogen 3.408 N/A LYS 38.A N ALA 35.A O no hydrogen 2.600 N/A VAL 41.A N VAL 33.A O no hydrogen 2.977 N/A ASP 42.A N SER 142.A O no hydrogen 2.546 N/A ILE 43.A N VAL 31.A O no hydrogen 3.161 N/A GLU 44.A N MET 140.A O no hydrogen 3.215 N/A VAL 46.A N ARG 138.A O no hydrogen 3.083 N/A THR 48.A OG1 THR 48.A O no hydrogen 2.379 N/A VAL 50.A N GLY 282.A O no hydrogen 2.754 N/A SER 51.A N ASN 134.A O no hydrogen 3.423 N/A SER 51.A OG ASN 134.A O no hydrogen 3.288 N/A VAL 56.A N GLY 127.A O no hydrogen 3.412 N/A TYR 59.A N MET 125.A O no hydrogen 2.408 N/A TYR 59.A OH PHE 218.A O no hydrogen 2.998 N/A CYS 60.A N PRO 224.A O no hydrogen 3.215 N/A CYS 60.A SG GLU 62.A O no hydrogen 3.176 N/A GLU 62.A N SER 122.A O no hydrogen 3.344 N/A SER 66.A N LYS 118.A O no hydrogen 3.163 N/A ALA 69.A N CYS 116.A O no hydrogen 3.144 N/A ASP 71.A N VAL 114.A O no hydrogen 3.438 N/A SER 72.A OG SER 112.A O no hydrogen 2.827 N/A GLN 85.A N LEU 82.A O no hydrogen 3.262 N/A SER 86.A N ASP 83.A O no hydrogen 2.994 N/A THR 88.A OG1 ASP 87.A O no hydrogen 2.361 N/A VAL 91.A N ALA 117.A O no hydrogen 2.967 N/A CYS 92.A SG VAL 91.A O no hydrogen 2.994 N/A LYS 93.A N THR 115.A O no hydrogen 3.283 N/A THR 95.A N LEU 113.A O no hydrogen 3.088 N/A VAL 97.A N GLY 111.A O no hydrogen 3.473 N/A ARG 99.A N GLY 109.A O no hydrogen 3.115 N/A ARG 99.A NH1 SER 72.A O no hydrogen 2.850 N/A ARG 99.A NH2 ASN 103.A O no hydrogen 3.183 N/A GLY 100.A N ASN 103.A OD1 no hydrogen 2.259 N/A ASN 103.A N GLY 100.A O no hydrogen 2.516 N/A GLY 104.A N TRP 101.A O no hydrogen 2.367 N/A GLY 109.A N LEU 107.A O no hydrogen 1.903 N/A GLY 111.A N VAL 97.A O no hydrogen 2.658 N/A SER 112.A OG GLN 77.A O no hydrogen 3.343 N/A LEU 113.A N THR 95.A O no hydrogen 2.917 N/A VAL 114.A N ASP 71.A O no hydrogen 3.244 N/A CYS 116.A N ALA 69.A O no hydrogen 3.015 N/A ALA 117.A N VAL 91.A O no hydrogen 3.105 N/A PHE 119.A N GLN 89.A O no hydrogen 2.948 N/A ALA 120.A N SER 64.A O no hydrogen 3.123 N/A SER 122.A N GLU 62.A O no hydrogen 2.772 N/A MET 125.A N TYR 59.A O no hydrogen 2.887 N/A THR 126.A OG1 THR 205.A OG1 no hydrogen 3.241 N/A LYS 128.A N TYR 203.A O no hydrogen 2.452 N/A SER 129.A N ALA 54.A O no hydrogen 2.581 N/A SER 129.A OG ALA 54.A O no hydrogen 3.144 N/A ASN 134.A ND2 ASN 52.A O no hydrogen 3.187 N/A GLU 136.A N THR 49.A O no hydrogen 3.006 N/A ILE 139.A N VAL 167.A O no hydrogen 2.861 N/A LEU 141.A N ALA 165.A O no hydrogen 3.103 N/A SER 142.A N ASP 42.A O no hydrogen 2.844 N/A HIS 144.A N THR 40.A O no hydrogen 3.261 N/A MET 151.A N HIS 148.A O no hydrogen 2.575 N/A ILE 152.A N SER 149.A O no hydrogen 3.227 N/A THR 160.A N GLY 157.A O no hydrogen 2.786 N/A ALA 165.A N LEU 141.A O no hydrogen 3.145 N/A VAL 167.A N ILE 139.A O no hydrogen 2.754 N/A ILE 169.A N TYR 137.A O no hydrogen 3.505 N/A THR 170.A OG1 SER 173.A OG no hydrogen 3.421 N/A SER 173.A N PRO 171.A O no hydrogen 2.070 N/A SER 173.A OG THR 170.A O no hydrogen 2.741 N/A SER 173.A OG THR 170.A OG1 no hydrogen 3.421 N/A SER 173.A OG SER 173.A O no hydrogen 2.480 N/A ALA 176.A N LEU 188.A O no hydrogen 3.057 N/A ALA 178.A N LEU 186.A O no hydrogen 3.384 N/A LEU 180.A N GLY 184.A O no hydrogen 3.073 N/A PHE 183.A N LEU 180.A O no hydrogen 2.875 N/A SER 185.A N LYS 297.A O no hydrogen 3.128 N/A LEU 186.A N ALA 178.A O no hydrogen 2.973 N/A ASP 189.A N ARG 292.A O no hydrogen 3.182 N/A CYS 190.A N PRO 174.A O no hydrogen 2.738 N/A GLU 191.A N LYS 290.A O no hydrogen 3.126 N/A ASP 197.A N THR 194.A O no hydrogen 3.389 N/A TYR 202.A N VAL 213.A O no hydrogen 2.990 N/A TYR 203.A N LYS 128.A O no hydrogen 2.608 N/A THR 205.A OG1 THR 126.A O no hydrogen 3.238 N/A THR 205.A OG1 THR 126.A OG1 no hydrogen 3.241 N/A TRP 211.A N LEU 204.A O no hydrogen 3.167 N/A LEU 212.A N LEU 273.A O no hydrogen 3.233 N/A VAL 213.A N TYR 202.A O no hydrogen 3.100 N/A LYS 215.A N ASP 200.A O no hydrogen 2.785 N/A TRP 217.A N HIS 214.A O no hydrogen 3.094 N/A ASP 220.A N TRP 217.A O no hydrogen 2.773 N/A LEU 223.A N ILE 221.A O no hydrogen 3.241 N/A HIS 226.A NE2 ASP 230.A O no hydrogen 2.433 N/A ASN 237.A N TRP 225.A O no hydrogen 3.289 N/A LYS 251.A NZ LYS 251.A O no hydrogen 3.563 N/A THR 254.A N LYS 246.A O no hydrogen 2.598 N/A VAL 256.A N GLU 244.A O no hydrogen 3.105 N/A GLN 261.A N TYR 61.A O no hydrogen 2.634 N/A ALA 264.A N GLN 261.A O no hydrogen 2.285 N/A HIS 266.A ND1 GLU 262.A O no hydrogen 2.669 N/A THR 267.A N GLY 263.A O no hydrogen 3.162 N/A ALA 268.A N ALA 264.A O no hydrogen 2.427 N/A LEU 269.A N VAL 265.A O no hydrogen 2.732 N/A GLY 282.A N VAL 50.A O no hydrogen 2.791 N/A ARG 283.A N GLU 276.A O no hydrogen 2.865 N/A LEU 284.A N THR 48.A O no hydrogen 3.216 N/A CYS 291.A N VAL 23.A O no hydrogen 2.820 N/A ARG 292.A N ASP 189.A O no hydrogen 2.631 N/A LEU 293.A N VAL 21.A O no hydrogen 2.708 N/A LYS 294.A N GLY 187.A O no hydrogen 2.433 N/A MET 295.A N THR 19.A O no hydrogen 3.119 N/A ARG 299.A N PHE 183.A O no hydrogen 2.798 N/A SER 304.A OG VAL 303.A O no hydrogen 2.269 N/A TYR 305.A OH LYS 301.A O no hydrogen 3.211 N/A CYS 308.A N LYS 340.A O no hydrogen 2.740 N/A CYS 308.A SG THR 309.A O no hydrogen 4.031 N/A THR 313.A OG1 GLN 331.A O no hydrogen 3.344 N/A THR 321.A N THR 325.A O no hydrogen 2.757 N/A GLY 324.A N THR 321.A O no hydrogen 2.517 N/A VAL 326.A N LEU 378.A O no hydrogen 2.899 N/A VAL 328.A N LEU 376.A O no hydrogen 2.982 N/A VAL 330.A N MET 374.A O no hydrogen 3.231 N/A GLN 331.A N THR 313.A O no hydrogen 3.078 N/A ALA 333.A N ALA 311.A O no hydrogen 3.031 N/A CYS 339.A N ILE 365.A O no hydrogen 3.140 N/A CYS 339.A SG SER 306.A O no hydrogen 3.064 N/A CYS 339.A SG SER 306.A OG no hydrogen 3.146 N/A CYS 339.A SG LYS 340.A O no hydrogen 3.487 N/A LYS 340.A N SER 306.A O no hydrogen 3.337 N/A VAL 341.A N PRO 363.A O no hydrogen 3.041 N/A GLN 344.A N VAL 388.A O no hydrogen 3.166 N/A ALA 346.A N TYR 386.A O no hydrogen 2.940 N/A VAL 355.A N MET 345.A O no hydrogen 2.682 N/A THR 360.A OG1 GLU 377.A O no hydrogen 2.582 N/A ILE 365.A N CYS 339.A O no hydrogen 3.051 N/A MET 374.A N VAL 330.A O no hydrogen 3.084 N/A MET 375.A N SER 146.A O no hydrogen 2.880 N/A MET 375.A N GLN 147.A O no hydrogen 3.240 N/A LEU 376.A N VAL 328.A O no hydrogen 3.185 N/A GLU 377.A N THR 360.A OG1 no hydrogen 2.560 N/A LEU 378.A N VAL 326.A O no hydrogen 2.807 N/A ASP 379.A N ARG 357.A O no hydrogen 3.277 N/A SER 385.A N TRP 400.A O no hydrogen 3.051 N/A TYR 386.A N ALA 346.A O no hydrogen 2.924 N/A ILE 387.A N HIS 398.A O no hydrogen 2.816 N/A VAL 388.A N GLN 344.A O no hydrogen 3.118 N/A ILE 389.A N ILE 396.A O no hydrogen 3.334 N/A GLY 390.A N PRO 342.A O no hydrogen 3.242 N/A LYS 395.A N GLY 392.A O no hydrogen 2.546 N/A HIS 398.A N ILE 387.A O no hydrogen 2.878 N/A HIS 399.A ND1 SER 385.A O no hydrogen 2.950 N/A TRP 400.A N SER 385.A O no hydrogen 2.940 N/A GLY 408.A N SER 405.A O no hydrogen 2.511 N/A ALA 410.A N THR 406.A O no hydrogen 2.982 N/A PHE 411.A N ILE 407.A O no hydrogen 3.319 N/A THR 414.A N ALA 410.A O no hydrogen 2.563 N/A VAL 415.A N PHE 411.A O no hydrogen 2.770 N/A ARG 416.A N GLU 412.A O no hydrogen 3.427 N/A ARG 416.A NH2 ARG 9.A O no hydrogen 2.828 N/A GLY 417.A N ALA 413.A O no hydrogen 3.234 N/A ALA 418.A N THR 414.A O no hydrogen 3.371 N/A LYS 419.A N VAL 415.A O no hydrogen 2.748 N/A ARG 420.A N ARG 416.A O no hydrogen 2.988 N/A MET 421.A N GLY 417.A O no hydrogen 3.201 N/A ALA 422.A N ALA 418.A O no hydrogen 2.924 N/A VAL 423.A N LYS 419.A O no hydrogen 2.871 N/A LEU 424.A N ARG 420.A O no hydrogen 2.614 N/A THR 427.A OG1 GLY 425.A O no hydrogen 3.558 N/A ALA 428.A N GLY 425.A O no hydrogen 3.168 N/A TRP 429.A N ASP 426.A O no hydrogen 3.077 N/A ASP 430.A N THR 427.A O no hydrogen 2.650 N/A ASN 439.A ND2 TRP 429.A O no hydrogen 3.276 N/A SER 440.A N GLY 436.A O no hydrogen 2.287 N/A LEU 441.A N ALA 437.A O no hydrogen 2.686 N/A LYS 443.A N ASN 439.A O no hydrogen 3.351 N/A GLY 444.A N SER 440.A O no hydrogen 3.181 N/A ILE 445.A N LEU 441.A O no hydrogen 2.558 N/A GLN 447.A N LYS 443.A O no hydrogen 2.981 N/A GLY 450.A N HIS 446.A O no hydrogen 2.546 N/A ALA 451.A N GLN 447.A O no hydrogen 3.113 N/A ALA 452.A N ILE 448.A O no hydrogen 3.336 N/A PHE 453.A N PHE 449.A O no hydrogen 3.310 N/A LYS 454.A N GLY 450.A O no hydrogen 2.756 N/A SER 455.A N ALA 452.A O no hydrogen 3.174 N/A LEU 456.A N ALA 452.A O no hydrogen 2.959 N/A SER 464.A N SER 461.A O no hydrogen 2.941 N/A ILE 466.A N TRP 462.A O no hydrogen 3.043 N/A GLY 469.A N GLN 465.A O no hydrogen 2.766 N/A THR 470.A N ILE 466.A O no hydrogen 2.372 N/A LEU 471.A N LEU 467.A O no hydrogen 2.896 N/A LEU 472.A N GLY 469.A O no hydrogen 3.010 N/A MET 473.A N GLY 469.A O no hydrogen 3.474 N/A TRP 474.A N THR 470.A O no hydrogen 3.350 N/A GLY 476.A N LEU 472.A O no hydrogen 3.284 N/A ASN 478.A N TRP 474.A O no hydrogen 3.126 N/A ILE 484.A N ASN 481.A O no hydrogen 3.333 N/A SER 485.A N GLY 482.A O no hydrogen 2.505 N/A LEU 486.A N SER 483.A O no hydrogen 2.551 N/A MET 487.A N SER 483.A O no hydrogen 3.139 N/A CYS 488.A N ILE 484.A O no hydrogen 3.301 N/A ALA 490.A N LEU 486.A O no hydrogen 2.781 N/A LEU 491.A N MET 487.A O no hydrogen 3.053 N/A GLY 493.A N LEU 489.A O no hydrogen 3.099 N/A VAL 494.A N ALA 490.A O no hydrogen 2.970 N/A LEU 495.A N LEU 491.A O no hydrogen 2.670 N/A ILE 496.A N GLY 492.A O no hydrogen 2.923 N/A LEU 498.A N VAL 494.A O no hydrogen 2.968 N/A SER 499.A N ILE 496.A O no hydrogen 2.756 N/A