Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n2k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N GLY 124.A O no hydrogen 3.211 N/A SER 5.A N ARG 54.A O no hydrogen 3.028 N/A ILE 6.A N LEU 126.A O no hydrogen 2.746 N/A HIS 7.A N VAL 56.A O no hydrogen 3.027 N/A VAL 8.A N PHE 128.A O no hydrogen 3.046 N/A GLY 9.A N VAL 58.A O no hydrogen 2.925 N/A VAL 13.A N GLY 9.A O no hydrogen 2.851 N/A GLN 14.A N GLN 10.A O no hydrogen 2.961 N/A ILE 15.A N ALA 11.A O no hydrogen 2.936 N/A GLY 16.A N GLY 12.A O no hydrogen 2.751 N/A ASN 17.A N VAL 13.A O no hydrogen 2.677 N/A ALA 18.A N GLN 14.A O no hydrogen 2.943 N/A ALA 18.A N ILE 15.A O no hydrogen 3.281 N/A CYS 19.A N GLY 16.A O no hydrogen 2.705 N/A CYS 19.A SG ILE 15.A O no hydrogen 3.519 N/A CYS 19.A SG GLY 16.A O no hydrogen 4.036 N/A TRP 20.A N GLY 16.A O no hydrogen 2.749 N/A TYR 23.A N CYS 19.A O no hydrogen 2.784 N/A TYR 23.A OH THR 229.A OG1 no hydrogen 3.356 N/A CYS 24.A N TRP 20.A O no hydrogen 2.915 N/A LEU 25.A N GLU 21.A O no hydrogen 3.133 N/A GLU 26.A N LEU 22.A O no hydrogen 3.265 N/A HIS 27.A N TYR 23.A O no hydrogen 2.967 N/A GLY 28.A N LEU 25.A O no hydrogen 3.005 N/A ILE 29.A N CYS 24.A O no hydrogen 2.949 N/A GLN 30.A N GLN 34.A O no hydrogen 3.252 N/A GLY 33.A N GLN 30.A O no hydrogen 2.586 N/A PHE 39.A N ASP 37.A O no hydrogen 3.202 N/A PHE 42.A N PHE 39.A O no hydrogen 3.254 N/A SER 44.A N VAL 52.A O no hydrogen 2.911 N/A THR 46.A N SER 44.A O no hydrogen 2.610 N/A LYS 50.A NZ GLN 75.A O no hydrogen 3.480 N/A HIS 51.A ND1 LYS 50.A O no hydrogen 2.887 N/A ARG 54.A N PHE 42.A O no hydrogen 2.880 N/A ARG 54.A NH1 ASN 40.A O no hydrogen 2.853 N/A ARG 54.A NH2 ASN 40.A O no hydrogen 2.932 N/A VAL 56.A N SER 5.A O no hydrogen 2.818 N/A PHE 57.A N GLN 81.A O no hydrogen 2.701 N/A VAL 58.A N HIS 7.A O no hydrogen 3.195 N/A ASP 59.A N ILE 83.A O no hydrogen 2.966 N/A THR 63.A OG1 GLU 61.A OE1 no hydrogen 2.881 N/A ILE 65.A N PRO 62.A O no hydrogen 3.082 N/A GLU 67.A N THR 63.A O no hydrogen 3.229 N/A VAL 68.A N ILE 65.A O no hydrogen 3.294 N/A THR 70.A N GLU 67.A O no hydrogen 3.169 N/A GLY 71.A N GLU 67.A O no hydrogen 3.269 N/A ARG 74.A N GLY 71.A O no hydrogen 3.159 N/A LEU 76.A N TYR 73.A O no hydrogen 2.336 N/A GLN 81.A N HIS 78.A O no hydrogen 2.481 N/A GLN 81.A NE2 HIS 78.A ND1 no hydrogen 3.670 N/A ILE 83.A N PHE 57.A O no hydrogen 2.573 N/A GLU 87.A N GLY 85.A O no hydrogen 2.933 N/A ALA 89.A N ASP 88.A OD1 no hydrogen 2.469 N/A ALA 90.A N ASP 88.A OD1 no hydrogen 3.062 N/A TYR 93.A N ASN 176.A OD1 no hydrogen 3.082 N/A TYR 93.A OH SER 141.A OG no hydrogen 3.302 N/A TYR 93.A OH THR 183.A OG1 no hydrogen 2.910 N/A ARG 95.A NE ASP 88.A O no hydrogen 3.133 N/A ARG 95.A NH1 GLU 401.A OE1 no hydrogen 3.376 N/A ARG 95.A NH2 ASP 88.A O no hydrogen 3.081 N/A GLY 96.A N ASN 92.A O no hydrogen 3.143 N/A HIS 97.A N TYR 93.A O no hydrogen 2.791 N/A HIS 97.A ND1 TYR 93.A OH no hydrogen 2.648 N/A TYR 98.A N ALA 94.A O no hydrogen 2.874 N/A TYR 98.A OH GLU 407.A OE2 no hydrogen 2.580 N/A THR 99.A N ARG 95.A O no hydrogen 3.100 N/A THR 99.A OG1 GLU 401.A O no hydrogen 3.195 N/A THR 99.A OG1 GLU 401.A OE2 no hydrogen 3.291 N/A ILE 100.A N ARG 95.A O no hydrogen 2.847 N/A ILE 104.A N GLY 101.A O no hydrogen 2.918 N/A ILE 105.A N GLY 101.A O no hydrogen 3.201 N/A LEU 107.A N ILE 104.A O no hydrogen 2.838 N/A VAL 108.A N ILE 104.A O no hydrogen 3.078 N/A LEU 109.A N ILE 105.A O no hydrogen 2.932 N/A ASP 110.A N LEU 107.A O no hydrogen 2.990 N/A ARG 111.A N LEU 107.A O no hydrogen 2.887 N/A ILE 112.A N VAL 108.A O no hydrogen 3.015 N/A LYS 114.A N ASP 110.A O no hydrogen 3.183 N/A ALA 116.A N ILE 112.A O no hydrogen 3.030 N/A ASP 117.A N LYS 114.A O no hydrogen 3.267 N/A CYS 119.A SG LEU 115.A O no hydrogen 3.515 N/A THR 120.A N GLU 2.A OE2 no hydrogen 2.769 N/A THR 120.A OG1 GLU 2.A OE2 no hydrogen 3.473 N/A GLN 123.A N GLU 2.A O no hydrogen 3.077 N/A PHE 125.A N SER 155.A O no hydrogen 2.963 N/A LEU 126.A N ILE 4.A O no hydrogen 2.824 N/A VAL 127.A N LEU 157.A O no hydrogen 2.859 N/A PHE 128.A N ILE 6.A O no hydrogen 2.793 N/A HIS 129.A N PHE 159.A O no hydrogen 3.107 N/A PHE 131.A N ILE 161.A O no hydrogen 3.116 N/A SER 137.A N GLY 133.A O no hydrogen 2.947 N/A SER 137.A OG GLY 133.A O no hydrogen 2.786 N/A SER 137.A OG GLY 134.A O no hydrogen 3.144 N/A GLY 138.A N GLY 134.A O no hydrogen 2.971 N/A PHE 139.A N THR 135.A O no hydrogen 2.788 N/A THR 140.A OG1 GLY 136.A O no hydrogen 2.683 N/A SER 141.A N SER 137.A O no hydrogen 3.214 N/A SER 141.A OG TYR 93.A OH no hydrogen 3.302 N/A LEU 142.A N GLY 138.A O no hydrogen 3.038 N/A LEU 143.A N PHE 139.A O no hydrogen 2.558 N/A MET 144.A N THR 140.A O no hydrogen 2.888 N/A GLU 145.A N SER 141.A O no hydrogen 3.214 N/A ARG 146.A N LEU 142.A O no hydrogen 3.238 N/A LEU 147.A N LEU 143.A O no hydrogen 2.611 N/A SER 148.A N MET 144.A O no hydrogen 2.631 N/A VAL 149.A N GLU 145.A O no hydrogen 3.297 N/A VAL 149.A N ARG 146.A O no hydrogen 2.664 N/A ASP 150.A N ARG 146.A O no hydrogen 2.915 N/A TYR 151.A N LEU 147.A O no hydrogen 2.990 N/A LYS 154.A NZ LEU 122.A O no hydrogen 3.525 N/A LYS 156.A NZ HIS 187.A O no hydrogen 3.156 N/A LEU 157.A N PHE 125.A O no hydrogen 2.907 N/A GLU 158.A N CYS 190.A O no hydrogen 3.032 N/A PHE 159.A N VAL 127.A O no hydrogen 3.015 N/A SER 160.A N PHE 192.A O no hydrogen 2.902 N/A ILE 161.A N HIS 129.A O no hydrogen 3.043 N/A TYR 162.A OH ALA 377.A O no hydrogen 3.428 N/A SER 168.A OG GLU 173.A OE2 no hydrogen 2.465 N/A THR 169.A N SER 168.A OG no hydrogen 2.685 N/A ALA 170.A N SER 168.A OG no hydrogen 3.276 N/A ASN 176.A ND2 ASN 91.A O no hydrogen 3.221 N/A SER 177.A N GLU 173.A O no hydrogen 3.249 N/A SER 177.A OG GLU 173.A O no hydrogen 3.195 N/A ILE 178.A N PRO 174.A O no hydrogen 3.086 N/A LEU 179.A N TYR 175.A O no hydrogen 2.920 N/A THR 180.A N ASN 176.A O no hydrogen 3.103 N/A THR 180.A OG1 SER 137.A O no hydrogen 3.032 N/A THR 181.A N SER 177.A O no hydrogen 2.916 N/A HIS 182.A N LEU 179.A O no hydrogen 3.023 N/A HIS 182.A ND1 ASP 414.A OD2 no hydrogen 2.768 N/A HIS 182.A NE2 GLU 410.A OE2 no hydrogen 3.140 N/A THR 183.A N LEU 179.A O no hydrogen 3.491 N/A THR 183.A OG1 TYR 93.A OH no hydrogen 2.910 N/A THR 183.A OG1 SER 141.A OG no hydrogen 3.249 N/A THR 183.A OG1 LEU 179.A O no hydrogen 3.339 N/A THR 183.A OG1 THR 180.A O no hydrogen 3.447 N/A THR 184.A N THR 180.A O no hydrogen 2.738 N/A HIS 187.A N THR 184.A O no hydrogen 3.107 N/A ASP 189.A N LYS 156.A O no hydrogen 2.874 N/A CYS 190.A SG HIS 256.A O no hydrogen 4.024 N/A PHE 192.A N GLU 158.A O no hydrogen 2.729 N/A VAL 194.A N SER 160.A O no hydrogen 2.886 N/A ASP 195.A N MET 292.A O no hydrogen 3.081 N/A ASN 196.A N TYR 162.A O no hydrogen 2.999 N/A GLU 197.A N ASP 195.A OD1 no hydrogen 2.642 N/A ALA 198.A N ASP 195.A O no hydrogen 2.637 N/A ILE 199.A N ASP 195.A O no hydrogen 3.256 N/A ILE 199.A N ASN 196.A O no hydrogen 3.085 N/A TYR 200.A N ASN 196.A O no hydrogen 2.830 N/A ASP 201.A N GLU 197.A O no hydrogen 2.971 N/A ILE 202.A N ALA 198.A O no hydrogen 3.109 N/A CYS 203.A N ILE 199.A O no hydrogen 3.225 N/A CYS 203.A SG ILE 199.A O no hydrogen 3.282 N/A ARG 204.A N TYR 200.A O no hydrogen 3.216 N/A ARG 205.A N ASP 201.A O no hydrogen 3.040 N/A ARG 205.A N ILE 202.A O no hydrogen 3.250 N/A ARG 205.A NH2 ASP 201.A OD1 no hydrogen 3.391 N/A ASN 206.A N ILE 202.A O no hydrogen 2.551 N/A ASN 206.A ND2 ILE 202.A O no hydrogen 3.067 N/A LEU 207.A N CYS 203.A O no hydrogen 3.272 N/A ILE 209.A N CYS 203.A O no hydrogen 3.357 N/A THR 213.A N ASN 216.A OD1 no hydrogen 3.232 N/A THR 213.A OG1 ASN 216.A OD1 no hydrogen 3.000 N/A LEU 217.A N THR 213.A O no hydrogen 3.137 N/A ASN 218.A N TYR 214.A O no hydrogen 2.679 N/A ARG 219.A NH1 GLU 21.A OE1 no hydrogen 2.746 N/A ILE 221.A N LEU 217.A O no hydrogen 3.112 N/A GLY 222.A N ASN 218.A O no hydrogen 2.657 N/A GLN 223.A N ARG 219.A O no hydrogen 2.945 N/A GLN 223.A NE2 THR 351.A O no hydrogen 2.865 N/A ILE 224.A N LEU 220.A O no hydrogen 3.320 N/A VAL 225.A N ILE 221.A O no hydrogen 2.917 N/A SER 226.A N GLY 222.A O no hydrogen 3.195 N/A SER 226.A OG GLU 26.A OE1 no hydrogen 3.143 N/A SER 226.A OG GLU 26.A OE2 no hydrogen 3.244 N/A SER 227.A N ILE 224.A O no hydrogen 2.889 N/A ILE 228.A N ILE 224.A O no hydrogen 3.005 N/A ILE 228.A N VAL 225.A O no hydrogen 2.781 N/A THR 229.A N VAL 225.A O no hydrogen 2.771 N/A THR 229.A OG1 TYR 23.A OH no hydrogen 3.356 N/A THR 229.A OG1 VAL 225.A O no hydrogen 2.959 N/A SER 231.A OG ILE 228.A O no hydrogen 3.029 N/A LEU 232.A N THR 229.A O no hydrogen 2.860 N/A ARG 233.A N ALA 230.A O no hydrogen 3.010 N/A ARG 233.A NE HIS 27.A NE2 no hydrogen 3.195 N/A ARG 233.A NH1 SER 226.A O no hydrogen 3.216 N/A PHE 234.A N ALA 230.A O no hydrogen 3.373 N/A GLY 236.A N SER 231.A O no hydrogen 3.425 N/A ASN 239.A ND2 ASN 248.A OD1 no hydrogen 3.230 N/A VAL 240.A N GLU 244.A OE1 no hydrogen 2.954 N/A GLU 244.A N ASP 241.A O no hydrogen 2.879 N/A GLU 244.A N ASP 241.A OD1 no hydrogen 3.418 N/A PHE 245.A N LEU 242.A O no hydrogen 3.086 N/A GLN 246.A N THR 243.A O no hydrogen 3.078 N/A THR 247.A N THR 243.A O no hydrogen 3.181 N/A ASN 248.A N GLU 244.A O no hydrogen 2.864 N/A VAL 250.A N GLN 246.A O no hydrogen 2.767 N/A ARG 254.A NH1 ASP 421.A OD2 no hydrogen 2.845 N/A LEU 259.A N SER 369.A O no hydrogen 2.685 N/A THR 261.A N MET 367.A O no hydrogen 3.247 N/A THR 261.A OG1 CYS 285.A O no hydrogen 3.503 N/A SER 267.A OG GLU 269.A OE1 no hydrogen 3.372 N/A ALA 268.A N ASP 357.A O no hydrogen 3.101 N/A LYS 270.A N SER 267.A O no hydrogen 2.556 N/A HIS 273.A N LYS 270.A O no hydrogen 3.160 N/A ILE 281.A N SER 277.A O no hydrogen 3.272 N/A THR 282.A OG1 VAL 278.A O no hydrogen 2.802 N/A THR 282.A OG1 TYR 309.A OH no hydrogen 2.630 N/A ASN 283.A N ALA 279.A O no hydrogen 3.044 N/A ALA 284.A N ILE 281.A O no hydrogen 3.113 N/A CYS 285.A N ILE 281.A O no hydrogen 3.419 N/A CYS 285.A N THR 282.A O no hydrogen 3.232 N/A CYS 285.A SG ILE 281.A O no hydrogen 3.796 N/A ALA 289.A N GLU 287.A OE2 no hydrogen 3.454 N/A GLN 291.A N PRO 288.A O no hydrogen 3.358 N/A LYS 294.A N ASP 195.A OD2 no hydrogen 3.165 N/A CYS 295.A SG VAL 293.A O no hydrogen 3.571 N/A ARG 298.A N ASP 296.A OD1 no hydrogen 3.342 N/A LYS 301.A N THR 372.A OG1 no hydrogen 2.837 N/A TYR 302.A N GLN 332.A O no hydrogen 2.801 N/A CYS 306.A N LEU 368.A O no hydrogen 3.127 N/A CYS 306.A SG LYS 342.A O no hydrogen 3.766 N/A LEU 307.A N LYS 342.A O no hydrogen 2.882 N/A TYR 309.A N GLY 344.A O no hydrogen 2.760 N/A TYR 309.A OH THR 282.A OG1 no hydrogen 2.630 N/A ARG 310.A N ALA 364.A O no hydrogen 2.804 N/A ARG 310.A NE GLN 348.A O no hydrogen 3.407 N/A ARG 310.A NH2 GLN 348.A O no hydrogen 3.451 N/A GLY 311.A N ASN 346.A O no hydrogen 2.759 N/A ASP 312.A N GLN 362.A O no hydrogen 3.015 N/A ASP 317.A N VAL 314.A O no hydrogen 3.073 N/A ASN 319.A N PRO 315.A O no hydrogen 3.180 N/A ALA 321.A N ASP 317.A O no hydrogen 3.133 N/A ILE 322.A N VAL 318.A O no hydrogen 2.974 N/A ALA 323.A N ASN 319.A O no hydrogen 2.892 N/A THR 324.A N ALA 321.A O no hydrogen 3.215 N/A THR 324.A OG1 ALA 320.A O no hydrogen 3.095 N/A THR 324.A OG1 ALA 321.A O no hydrogen 3.425 N/A ILE 325.A N ALA 321.A O no hydrogen 3.217 N/A ILE 325.A N ILE 322.A O no hydrogen 2.780 N/A LYS 326.A N ILE 322.A O no hydrogen 3.243 N/A THR 327.A N ALA 323.A O no hydrogen 3.332 N/A THR 327.A OG1 ALA 323.A O no hydrogen 3.387 N/A ARG 329.A N ILE 325.A O no hydrogen 3.134 N/A CYS 337.A SG MET 303.A O no hydrogen 3.429 N/A PHE 341.A N CYS 305.A O no hydrogen 2.947 N/A LYS 342.A N CYS 305.A O no hydrogen 3.246 N/A GLY 344.A N LEU 307.A O no hydrogen 2.962 N/A ASN 346.A N TYR 309.A O no hydrogen 3.041 N/A GLY 356.A N VAL 353.A O no hydrogen 3.014 N/A ALA 359.A N ILE 266.A O no hydrogen 2.949 N/A ARG 363.A NH2 ASP 312.A OD2 no hydrogen 3.357 N/A ALA 364.A N ARG 310.A O no hydrogen 2.747 N/A CYS 366.A SG CYS 366.A O no hydrogen 2.874 N/A LEU 368.A N CYS 306.A O no hydrogen 2.839 N/A SER 369.A N LEU 259.A O no hydrogen 3.136 N/A SER 369.A OG LEU 259.A O no hydrogen 3.414 N/A ASN 370.A N ALA 304.A O no hydrogen 2.870 N/A THR 371.A OG1 LYS 301.A O no hydrogen 3.396 N/A THR 372.A N LYS 301.A O no hydrogen 2.981 N/A THR 372.A OG1 LYS 301.A O no hydrogen 3.010 N/A ALA 373.A N THR 371.A OG1 no hydrogen 3.045 N/A GLU 376.A N ALA 373.A O no hydrogen 2.699 N/A ALA 379.A N GLU 376.A O no hydrogen 3.275 N/A ARG 380.A N GLU 376.A O no hydrogen 2.990 N/A ARG 380.A NH2 ASP 195.A OD2 no hydrogen 3.514 N/A HIS 383.A N ALA 379.A O no hydrogen 2.742 N/A PHE 385.A N LEU 381.A O no hydrogen 3.272 N/A ASP 386.A N ASP 382.A O no hydrogen 2.698 N/A LEU 387.A N HIS 383.A O no hydrogen 2.879 N/A LEU 387.A N LYS 384.A O no hydrogen 2.740 N/A MET 388.A N LYS 384.A O no hydrogen 2.959 N/A MET 388.A N PHE 385.A O no hydrogen 3.261 N/A TYR 389.A N PHE 385.A O no hydrogen 3.008 N/A TYR 389.A OH GLU 405.A O no hydrogen 2.605 N/A ALA 390.A N ASP 386.A O no hydrogen 3.153 N/A LYS 391.A N MET 388.A O no hydrogen 2.685 N/A ARG 392.A N TYR 389.A O no hydrogen 2.842 N/A ARG 392.A NE TYR 389.A O no hydrogen 2.906 N/A ARG 392.A NH1 GLU 405.A OE1 no hydrogen 3.034 N/A ARG 392.A NH1 GLU 405.A OE2 no hydrogen 3.461 N/A ARG 392.A NH2 TYR 389.A O no hydrogen 3.443 N/A VAL 395.A N ARG 392.A O no hydrogen 2.688 N/A TRP 397.A N PHE 394.A O no hydrogen 3.087 N/A TYR 398.A N VAL 395.A O no hydrogen 2.733 N/A TYR 398.A OH ASN 176.A OD1 no hydrogen 2.600 N/A VAL 399.A N VAL 395.A O no hydrogen 3.322 N/A GLY 400.A N HIS 396.A O no hydrogen 2.869 N/A GLU 401.A N TRP 397.A O no hydrogen 3.447 N/A GLY 402.A N TYR 398.A O no hydrogen 3.097 N/A MET 403.A N TYR 398.A O no hydrogen 3.185 N/A GLU 407.A N GLU 404.A O no hydrogen 2.799 N/A GLU 410.A N GLY 406.A O no hydrogen 2.906 N/A ALA 411.A N PHE 408.A O no hydrogen 3.114 N/A ARG 412.A N PHE 408.A O no hydrogen 3.218 N/A ARG 412.A NH1 ARG 412.A O no hydrogen 3.316 N/A GLU 413.A N SER 409.A O no hydrogen 3.006 N/A ASP 414.A N ALA 411.A O no hydrogen 3.308 N/A MET 415.A N ALA 411.A O no hydrogen 3.448 N/A ALA 416.A N ARG 412.A O no hydrogen 2.820 N/A ALA 417.A N GLU 413.A O no hydrogen 3.010 N/A LEU 418.A N ASP 414.A O no hydrogen 2.719 N/A GLU 419.A N MET 415.A O no hydrogen 2.699 N/A ASP 421.A N ALA 417.A O no hydrogen 3.073 N/A TYR 422.A N LEU 418.A O no hydrogen 2.903 N/A GLU 424.A N LYS 420.A O no hydrogen 2.771 N/A GLY 426.A N GLU 423.A O no hydrogen 3.300 N/A