Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6s1n_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N PHE 2.A O no hydrogen 2.996 N/A GLN 8.A N GLN 5.A O no hydrogen 3.159 N/A THR 12.A OG1 GLU 214.A OE1 no hydrogen 3.383 N/A THR 12.A OG1 GLU 214.A OE2 no hydrogen 3.374 N/A SER 15.A OG THR 12.A O no hydrogen 3.224 N/A SER 18.A OG ASN 20.A O no hydrogen 3.254 N/A ARG 26.A NH1 ALA 220.A O no hydrogen 2.676 N/A ARG 26.A NH1 VAL 223.A O no hydrogen 3.287 N/A ARG 26.A NH2 VAL 207.A O no hydrogen 3.088 N/A THR 31.A OG1 ALA 30.A O no hydrogen 2.756 N/A TYR 32.A OH TYR 301.A OH no hydrogen 2.306 N/A THR 33.A OG1 TYR 32.A O no hydrogen 2.769 N/A SER 36.A OG ASN 34.A OD1 no hydrogen 2.893 N/A PHE 39.A N SER 36.A O no hydrogen 3.363 N/A ARG 40.A N GLN 37.A O no hydrogen 3.333 N/A ARG 40.A NH1 GLN 278.A OE1 no hydrogen 2.766 N/A LEU 41.A N GLN 278.A OE1 no hydrogen 2.946 N/A ARG 44.A NH1 THR 274.A OG1 no hydrogen 3.170 N/A SER 45.A OG PHE 46.A O no hydrogen 3.344 N/A SER 47.A OG PHE 46.A O no hydrogen 2.564 N/A ARG 48.A NH1 SER 45.A O no hydrogen 3.207 N/A TYR 50.A OH CYS 353.A O no hydrogen 2.866 N/A TYR 54.A OH PRO 348.A O no hydrogen 2.939 N/A THR 56.A OG1 HIS 52.A O no hydrogen 3.254 N/A ARG 57.A N ILE 53.A O no hydrogen 2.996 N/A ARG 57.A NE ASP 360.A OD2 no hydrogen 2.720 N/A ARG 57.A NH1 ALA 347.A O no hydrogen 3.448 N/A ARG 57.A NH2 ALA 347.A O no hydrogen 2.777 N/A ARG 57.A NH2 ASP 360.A OD2 no hydrogen 2.969 N/A LEU 58.A N TYR 54.A O no hydrogen 3.028 N/A ILE 59.A N ALA 55.A O no hydrogen 3.012 N/A GLN 60.A N THR 56.A O no hydrogen 2.947 N/A MET 61.A N ARG 57.A O no hydrogen 2.947 N/A GLU 66.A N ARG 62.A O no hydrogen 3.054 N/A ASN 67.A N PRO 63.A O no hydrogen 2.970 N/A ARG 68.A N PHE 64.A O no hydrogen 2.984 N/A ARG 68.A NH2 LEU 166.A O no hydrogen 3.517 N/A ALA 69.A N LEU 65.A O no hydrogen 2.965 N/A GLN 70.A N GLU 66.A O no hydrogen 3.063 N/A TRP 73.A N ALA 69.A O no hydrogen 2.988 N/A TRP 73.A NE1 ASP 160.A OD2 no hydrogen 2.326 N/A GLY 74.A N GLN 70.A O no hydrogen 2.868 N/A LYS 80.A N CYS 92.A O no hydrogen 3.081 N/A LYS 81.A N GLU 84.A OE2 no hydrogen 2.770 N/A GLU 88.A N VAL 150.A O no hydrogen 2.853 N/A LYS 90.A NZ SER 149.A OG no hydrogen 3.006 N/A LYS 90.A NZ GLU 159.A OE2 no hydrogen 2.542 N/A CYS 91.A N GLY 148.A O no hydrogen 2.924 N/A CYS 91.A SG GLU 89.A O no hydrogen 3.375 N/A CYS 91.A SG GLY 148.A O no hydrogen 3.416 N/A CYS 92.A N GLY 78.A O no hydrogen 3.029 N/A CYS 92.A SG VAL 146.A O no hydrogen 3.477 N/A VAL 93.A N VAL 146.A O no hydrogen 2.893 N/A GLY 95.A N LEU 144.A O no hydrogen 3.047 N/A THR 96.A N GLU 121.A O no hydrogen 2.952 N/A LEU 97.A N THR 142.A O no hydrogen 3.017 N/A PHE 98.A N VAL 119.A O no hydrogen 2.922 N/A LYS 99.A NZ VAL 135.A O no hydrogen 3.347 N/A LYS 99.A NZ LEU 138.A O no hydrogen 3.336 N/A ALA 100.A N GLU 117.A O no hydrogen 2.909 N/A LYS 110.A NZ PHE 322.A O no hydrogen 2.761 N/A LYS 110.A NZ SER 325.A O no hydrogen 2.609 N/A TYR 111.A N ARG 323.A O no hydrogen 3.310 N/A VAL 119.A N PHE 98.A O no hydrogen 2.934 N/A LEU 120.A N ILE 127.A O no hydrogen 2.937 N/A GLU 121.A N THR 96.A O no hydrogen 2.900 N/A ASP 122.A N GLN 125.A O no hydrogen 3.131 N/A GLU 123.A N ASP 122.A OD1 no hydrogen 2.446 N/A ILE 127.A N LEU 120.A O no hydrogen 2.941 N/A LYS 130.A N PHE 156.A O no hydrogen 3.152 N/A THR 132.A N VAL 158.A O no hydrogen 3.380 N/A THR 132.A OG1 VAL 158.A O no hydrogen 2.982 N/A THR 132.A OG1 GLU 159.A O no hydrogen 3.052 N/A THR 142.A OG1 VAL 139.A O no hydrogen 3.328 N/A LEU 144.A N GLY 95.A O no hydrogen 3.146 N/A ALA 145.A N CYS 162.A O no hydrogen 3.040 N/A VAL 146.A N VAL 93.A O no hydrogen 2.864 N/A PHE 147.A N ASP 160.A O no hydrogen 2.966 N/A GLY 148.A N CYS 91.A O no hydrogen 2.936 N/A SER 149.A N LEU 157.A O no hydrogen 3.433 N/A SER 149.A OG GLU 89.A O no hydrogen 2.913 N/A ARG 151.A N LYS 155.A O no hydrogen 3.128 N/A ASP 153.A N ASP 153.A OD1 no hydrogen 2.466 N/A LEU 157.A N SER 149.A O no hydrogen 3.167 N/A VAL 158.A N LYS 130.A O no hydrogen 3.238 N/A GLU 159.A N PHE 147.A O no hydrogen 2.965 N/A CYS 162.A N ALA 145.A O no hydrogen 2.928 N/A ASP 165.A N ARG 339.A O no hydrogen 3.077 N/A GLN 169.A NE2 THR 391.A O no hydrogen 3.051 N/A THR 177.A N ASP 176.A OD1 no hydrogen 2.654 N/A VAL 181.A N VAL 409.A O no hydrogen 2.962 N/A LEU 183.A N CYS 407.A O no hydrogen 2.899 N/A VAL 184.A N ILE 227.A O no hydrogen 3.309 N/A SER 185.A OG VAL 184.A O no hydrogen 2.806 N/A SER 185.A OG ALA 229.A O no hydrogen 3.035 N/A GLY 186.A N GLY 230.A O no hydrogen 3.332 N/A LEU 189.A N LEU 232.A O no hydrogen 3.166 N/A GLY 191.A N GLY 188.A O no hydrogen 3.458 N/A SER 196.A OG GLY 192.A O no hydrogen 3.367 N/A LEU 197.A N GLY 194.A O no hydrogen 3.081 N/A LEU 198.A N GLY 194.A O no hydrogen 3.269 N/A GLY 199.A N GLU 195.A O no hydrogen 2.921 N/A THR 200.A N SER 196.A O no hydrogen 2.879 N/A THR 200.A OG1 SER 196.A O no hydrogen 2.383 N/A GLN 201.A N LEU 197.A O no hydrogen 2.945 N/A LEU 202.A N LEU 198.A O no hydrogen 2.889 N/A LEU 203.A N GLY 199.A O no hydrogen 2.973 N/A VAL 204.A N THR 200.A O no hydrogen 3.032 N/A ASP 205.A N GLN 201.A O no hydrogen 2.920 N/A VAL 206.A N LEU 202.A O no hydrogen 2.971 N/A VAL 207.A N LEU 203.A O no hydrogen 3.079 N/A THR 208.A N VAL 204.A O no hydrogen 2.949 N/A THR 208.A OG1 VAL 204.A O no hydrogen 2.360 N/A GLN 210.A N ASP 205.A O no hydrogen 3.061 N/A GLN 217.A N ASP 213.A O no hydrogen 2.921 N/A CYS 218.A N GLU 214.A O no hydrogen 2.889 N/A SER 219.A N GLY 215.A O no hydrogen 2.947 N/A SER 219.A OG GLY 215.A O no hydrogen 3.106 N/A SER 219.A OG GLU 216.A O no hydrogen 3.119 N/A ALA 220.A N GLU 216.A O no hydrogen 2.862 N/A HIS 222.A N SER 219.A O no hydrogen 3.437 N/A HIS 222.A ND1 CYS 218.A O no hydrogen 3.038 N/A SER 224.A N PHE 180.A O no hydrogen 2.954 N/A ARG 225.A NH2 ASP 262.A OD2 no hydrogen 2.373 N/A VAL 226.A N PRO 260.A O no hydrogen 3.197 N/A ILE 227.A N LEU 182.A O no hydrogen 3.183 N/A LEU 228.A N ASP 262.A O no hydrogen 2.988 N/A ALA 229.A N VAL 184.A O no hydrogen 3.138 N/A ALA 240.A N GLU 243.A OE1 no hydrogen 3.378 N/A ALA 240.A N GLU 243.A OE2 no hydrogen 2.899 N/A GLU 243.A N GLU 243.A OE2 no hydrogen 2.682 N/A LEU 248.A N ALA 244.A O no hydrogen 2.968 N/A ASP 249.A N VAL 245.A O no hydrogen 2.919 N/A GLU 250.A N LYS 246.A O no hydrogen 2.995 N/A ILE 251.A N MET 247.A O no hydrogen 2.981 N/A LEU 252.A N LEU 248.A O no hydrogen 2.962 N/A LEU 253.A N ASP 249.A O no hydrogen 2.941 N/A GLN 254.A N GLU 250.A O no hydrogen 2.954 N/A LEU 255.A N ILE 251.A O no hydrogen 2.972 N/A SER 256.A N LEU 252.A O no hydrogen 2.890 N/A SER 256.A OG LEU 252.A O no hydrogen 2.386 N/A ALA 257.A N LEU 253.A O no hydrogen 3.241 N/A VAL 259.A N LEU 255.A O no hydrogen 3.295 N/A VAL 261.A N THR 293.A O no hydrogen 3.037 N/A ASP 262.A N VAL 226.A O no hydrogen 3.128 N/A VAL 263.A N GLN 295.A O no hydrogen 2.931 N/A MET 264.A N LEU 228.A O no hydrogen 3.287 N/A GLY 266.A N ASP 269.A OD2 no hydrogen 3.043 N/A GLU 267.A N GLU 267.A OE2 no hydrogen 2.781 N/A THR 271.A N ASP 269.A O no hydrogen 2.646 N/A THR 271.A OG1 ASP 269.A O no hydrogen 3.523 N/A GLN 277.A N LEU 275.A O no hydrogen 2.709 N/A GLN 277.A NE2 GLY 266.A O no hydrogen 3.412 N/A GLN 277.A NE2 ASN 272.A O no hydrogen 3.134 N/A GLN 278.A NE2 PHE 39.A O no hydrogen 3.105 N/A GLN 278.A NE2 PRO 276.A O no hydrogen 2.370 N/A CYS 283.A SG HIS 281.A ND1 no hydrogen 2.928 N/A PHE 285.A N PRO 282.A O no hydrogen 3.322 N/A LEU 287.A N ASP 249.A OD2 no hydrogen 3.056 N/A ALA 288.A N ASP 249.A OD1 no hydrogen 3.126 N/A THR 289.A OG1 PHE 285.A O no hydrogen 2.648 N/A ALA 290.A N LEU 287.A O no hydrogen 3.422 N/A THR 293.A OG1 SER 256.A O no hydrogen 2.704 N/A GLN 295.A N VAL 261.A O no hydrogen 2.947 N/A VAL 297.A N VAL 263.A O no hydrogen 2.888 N/A ASN 299.A N GLN 277.A O no hydrogen 3.302 N/A ASN 299.A ND2 GLN 316.A OE1 no hydrogen 3.020 N/A TYR 301.A N GLY 312.A O no hydrogen 2.952 N/A TYR 301.A OH TYR 32.A OH no hydrogen 2.306 N/A ALA 303.A N PHE 310.A O no hydrogen 2.994 N/A THR 304.A N THR 33.A O no hydrogen 3.131 N/A ILE 305.A N VAL 308.A O no hydrogen 2.880 N/A PHE 310.A N ALA 303.A O no hydrogen 2.857 N/A GLY 312.A N TYR 301.A O no hydrogen 2.934 N/A THR 313.A OG1 ASN 317.A OD1 no hydrogen 3.542 N/A SER 314.A OG PRO 265.A O no hydrogen 3.220 N/A GLY 315.A N THR 313.A OG1 no hydrogen 3.221 N/A ASN 317.A ND2 ILE 343.A O no hydrogen 3.070 N/A ILE 321.A N ASN 317.A O no hydrogen 2.990 N/A PHE 322.A N VAL 318.A O no hydrogen 2.954 N/A ARG 323.A N SER 319.A O no hydrogen 3.007 N/A ARG 323.A N ASP 320.A O no hydrogen 3.209 N/A SER 325.A OG SER 136.A O no hydrogen 3.489 N/A SER 326.A N SER 325.A OG no hydrogen 2.401 N/A SER 326.A OG SER 136.A O no hydrogen 2.800 N/A MET 327.A N SER 325.A OG no hydrogen 3.331 N/A GLU 332.A N ASP 329.A OD1 no hydrogen 2.494 N/A ILE 333.A N ASP 329.A O no hydrogen 3.011 N/A LEU 334.A N HIS 330.A O no hydrogen 2.988 N/A GLU 335.A N LEU 331.A O no hydrogen 3.023 N/A TRP 336.A N GLU 332.A O no hydrogen 2.847 N/A THR 337.A N ILE 333.A O no hydrogen 2.972 N/A THR 337.A OG1 ILE 333.A O no hydrogen 3.187 N/A LEU 338.A N LEU 334.A O no hydrogen 3.057 N/A ARG 339.A N TRP 336.A O no hydrogen 2.775 N/A ARG 339.A NH2 GLU 335.A OE1 no hydrogen 3.296 N/A VAL 340.A N TRP 336.A O no hydrogen 3.244 N/A ARG 341.A NE PHE 364.A O no hydrogen 3.358 N/A ILE 343.A N PHE 362.A O no hydrogen 3.076 N/A THR 346.A OG1 ASP 320.A OD2 no hydrogen 2.610 N/A CYS 353.A SG TYR 354.A O no hydrogen 3.557 N/A TYR 354.A OH SER 45.A O no hydrogen 2.768 N/A PHE 356.A N TYR 354.A O no hydrogen 3.068 N/A PHE 362.A N ASP 360.A OD1 no hydrogen 3.423 N/A CYS 367.A N PRO 168.A O no hydrogen 2.870 N/A CYS 367.A SG GLN 169.A OE1 no hydrogen 3.547 N/A HIS 369.A NE2 LYS 170.A O no hydrogen 3.005 N/A VAL 370.A N ARG 309.A O no hydrogen 3.313 N/A TYR 371.A N LEU 393.A O no hydrogen 3.221 N/A PHE 372.A N LEU 311.A O no hydrogen 3.345 N/A CYS 373.A N VAL 395.A O no hydrogen 3.268 N/A THR 376.A N GLY 374.A O no hydrogen 3.119 N/A THR 376.A N VAL 397.A O no hydrogen 3.213 N/A THR 376.A OG1 SER 378.A O no hydrogen 3.253 N/A THR 376.A OG1 THR 396.A OG1 no hydrogen 3.287 N/A THR 376.A OG1 VAL 397.A O no hydrogen 2.668 N/A SER 378.A OG PRO 377.A O no hydrogen 2.780 N/A SER 381.A OG LEU 394.A O no hydrogen 3.286 N/A LYS 382.A N LEU 394.A O no hydrogen 2.960 N/A ILE 384.A N VAL 392.A O no hydrogen 2.976 N/A ARG 385.A NE GLN 390.A O no hydrogen 3.589 N/A GLY 386.A N GLN 390.A O no hydrogen 2.513 N/A GLN 390.A N GLU 388.A O no hydrogen 2.827 N/A VAL 392.A N ILE 384.A O no hydrogen 2.973 N/A LEU 393.A N HIS 369.A O no hydrogen 3.258 N/A LEU 394.A N LYS 382.A O no hydrogen 2.926 N/A THR 396.A N GLY 380.A O no hydrogen 2.936 N/A THR 396.A OG1 THR 376.A OG1 no hydrogen 3.287 N/A THR 396.A OG1 SER 378.A O no hydrogen 3.188 N/A PHE 400.A N SER 185.A O no hydrogen 3.144 N/A THR 403.A N ASP 399.A O no hydrogen 3.333 N/A THR 403.A OG1 ASP 399.A O no hydrogen 3.007 N/A GLN 404.A N PHE 400.A O no hydrogen 3.157 N/A THR 405.A OG1 THR 403.A O no hydrogen 3.491 N/A ALA 406.A N ILE 419.A O no hydrogen 2.929 N/A CYS 407.A N LEU 183.A O no hydrogen 3.011 N/A LEU 408.A N GLN 417.A O no hydrogen 2.905 N/A VAL 409.A N VAL 181.A O no hydrogen 2.895 N/A ASN 410.A N ALA 415.A O no hydrogen 2.992 N/A LEU 411.A N ARG 179.A O no hydrogen 2.987 N/A ARG 412.A N ASN 410.A OD1 no hydrogen 3.216 N/A ARG 412.A NH1 ASP 176.A O no hydrogen 2.663 N/A CYS 416.A SG LEU 408.A O no hydrogen 3.948 N/A GLN 417.A N LEU 408.A O no hydrogen 2.919 N/A ILE 419.A N ALA 406.A O no hydrogen 2.935 N/A SER 420.A OG GLN 404.A O no hydrogen 3.505 N/A PHE 421.A N GLN 404.A O no hydrogen 3.210 N/A GLU 427.A N GLY 425.A O no hydrogen 2.809 N/A