Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6wwi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N THR 51.A O no hydrogen 3.313 N/A CYS 4.A SG ILE 5.A O no hydrogen 3.488 N/A CYS 4.A SG GLY 134.A O no hydrogen 3.258 N/A SER 6.A N ARG 64.A O no hydrogen 3.427 N/A ILE 7.A N LEU 136.A O no hydrogen 2.960 N/A HIS 8.A N VAL 66.A O no hydrogen 2.986 N/A VAL 9.A N PHE 138.A O no hydrogen 3.112 N/A GLY 13.A N VAL 9.A O no hydrogen 3.163 N/A VAL 14.A N GLY 10.A O no hydrogen 2.954 N/A GLN 15.A N GLN 11.A O no hydrogen 3.406 N/A ILE 16.A N ALA 12.A O no hydrogen 2.964 N/A GLY 17.A N GLY 13.A O no hydrogen 2.857 N/A ASN 18.A N VAL 14.A O no hydrogen 2.945 N/A ALA 19.A N ILE 16.A O no hydrogen 2.993 N/A CYS 20.A N ILE 16.A O no hydrogen 2.903 N/A CYS 20.A SG ILE 16.A O no hydrogen 3.727 N/A TRP 21.A N GLY 17.A O no hydrogen 2.921 N/A LEU 23.A N ALA 19.A O no hydrogen 2.968 N/A TYR 24.A N CYS 20.A O no hydrogen 2.890 N/A TYR 24.A OH THR 239.A OG1 no hydrogen 2.894 N/A CYS 25.A N TRP 21.A O no hydrogen 2.910 N/A CYS 25.A SG TRP 21.A O no hydrogen 3.328 N/A GLU 27.A N LEU 23.A O no hydrogen 2.975 N/A GLU 27.A N TYR 24.A O no hydrogen 3.215 N/A HIS 28.A N TYR 24.A O no hydrogen 3.193 N/A ILE 30.A N CYS 25.A O no hydrogen 3.169 N/A GLN 35.A N ASP 33.A OD2 no hydrogen 3.293 N/A SER 38.A OG GLY 29.A O no hydrogen 3.537 N/A LYS 40.A N MET 36.A O no hydrogen 2.985 N/A THR 41.A N PRO 37.A O no hydrogen 2.926 N/A THR 41.A N SER 38.A O no hydrogen 2.980 N/A THR 41.A OG1 PRO 37.A O no hydrogen 2.905 N/A THR 41.A OG1 SER 38.A O no hydrogen 2.335 N/A ILE 42.A N SER 38.A O no hydrogen 2.909 N/A GLY 43.A N ASP 39.A O no hydrogen 2.683 N/A SER 48.A OG SER 48.A O no hydrogen 2.267 N/A SER 48.A OG HIS 61.A NE2 no hydrogen 2.751 N/A THR 51.A OG1 ARG 2.A O no hydrogen 3.434 N/A PHE 53.A N PHE 49.A O no hydrogen 3.210 N/A SER 54.A OG VAL 62.A O no hydrogen 2.559 N/A THR 56.A N LYS 60.A O no hydrogen 3.202 N/A THR 56.A OG1 LYS 60.A O no hydrogen 2.735 N/A GLY 59.A N THR 56.A O no hydrogen 3.410 N/A LYS 60.A NZ GLN 85.A O no hydrogen 2.836 N/A HIS 61.A N GLY 34.A O no hydrogen 3.325 N/A HIS 61.A NE2 GLU 55.A OE1 no hydrogen 3.118 N/A VAL 62.A N SER 54.A O no hydrogen 2.927 N/A ARG 64.A N PHE 52.A O no hydrogen 2.580 N/A ARG 64.A NE ASN 50.A O no hydrogen 3.431 N/A ARG 64.A NH1 GLN 128.A OE1 no hydrogen 3.363 N/A VAL 66.A N SER 6.A O no hydrogen 2.957 N/A VAL 68.A N HIS 8.A O no hydrogen 2.965 N/A LEU 70.A N ASP 69.A OD1 no hydrogen 2.832 N/A ASP 76.A N PRO 72.A O no hydrogen 3.239 N/A GLU 77.A N VAL 74.A O no hydrogen 2.595 N/A VAL 78.A N VAL 74.A O no hydrogen 3.239 N/A ARG 79.A N ILE 75.A O no hydrogen 2.892 N/A ARG 79.A NH1 ASP 76.A OD2 no hydrogen 3.401 N/A THR 80.A N ASP 76.A O no hydrogen 2.948 N/A THR 80.A OG1 ASP 76.A O no hydrogen 2.976 N/A GLY 81.A N VAL 78.A O no hydrogen 2.867 N/A ARG 84.A NH1 GLY 81.A O no hydrogen 3.518 N/A GLN 85.A N GLN 85.A OE1 no hydrogen 2.677 N/A GLU 90.A N HIS 88.A ND1 no hydrogen 3.274 N/A LYS 96.A N THR 94.A O no hydrogen 2.554 N/A ASN 102.A N ALA 99.A O no hydrogen 2.937 N/A TYR 103.A OH SER 151.A OG no hydrogen 2.819 N/A ARG 105.A N ASN 102.A OD1 no hydrogen 2.889 N/A ARG 105.A NE ASP 98.A O no hydrogen 3.111 N/A ARG 105.A NH1 GLU 411.A OE2 no hydrogen 2.809 N/A ARG 105.A NH2 ASP 98.A O no hydrogen 3.526 N/A HIS 107.A N TYR 103.A O no hydrogen 3.021 N/A TYR 108.A N ALA 104.A O no hydrogen 2.792 N/A THR 109.A OG1 ARG 105.A O no hydrogen 3.562 N/A ILE 110.A N ARG 105.A O no hydrogen 2.966 N/A LEU 119.A N ILE 115.A O no hydrogen 3.019 N/A ASP 120.A N ASP 116.A O no hydrogen 2.892 N/A ARG 121.A N LEU 117.A O no hydrogen 2.990 N/A ILE 122.A N VAL 118.A O no hydrogen 2.932 N/A ARG 123.A N LEU 119.A O no hydrogen 2.968 N/A LYS 124.A N ASP 120.A O no hydrogen 2.913 N/A LEU 125.A N ARG 121.A O no hydrogen 2.916 N/A ALA 126.A N ILE 122.A O no hydrogen 2.905 N/A ASP 127.A N ARG 123.A O no hydrogen 2.947 N/A GLN 128.A N LEU 125.A O no hydrogen 3.328 N/A CYS 129.A N ALA 126.A O no hydrogen 2.918 N/A CYS 129.A SG MET 1.A O no hydrogen 3.660 N/A GLN 133.A NE2 GLY 131.A O no hydrogen 3.380 N/A PHE 135.A N SER 165.A O no hydrogen 2.952 N/A LEU 136.A N ILE 5.A O no hydrogen 3.045 N/A VAL 137.A N LEU 167.A O no hydrogen 3.304 N/A PHE 138.A N ILE 7.A O no hydrogen 3.235 N/A HIS 139.A ND1 GLY 146.A O no hydrogen 2.641 N/A HIS 139.A NE2 GLU 168.A OE1 no hydrogen 2.624 N/A PHE 141.A N ILE 171.A O no hydrogen 3.403 N/A SER 147.A N GLY 144.A O no hydrogen 3.253 N/A SER 147.A OG GLY 143.A O no hydrogen 2.184 N/A SER 147.A OG GLY 144.A O no hydrogen 3.287 N/A GLY 148.A N GLY 144.A O no hydrogen 2.902 N/A THR 150.A OG1 HIS 139.A ND1 no hydrogen 3.396 N/A THR 150.A OG1 GLY 146.A O no hydrogen 2.750 N/A SER 151.A N SER 147.A O no hydrogen 2.893 N/A SER 151.A OG TYR 103.A OH no hydrogen 2.819 N/A LEU 152.A N GLY 148.A O no hydrogen 2.887 N/A LEU 152.A N PHE 149.A O no hydrogen 3.225 N/A LEU 153.A N PHE 149.A O no hydrogen 2.885 N/A MET 154.A N THR 150.A O no hydrogen 2.990 N/A ARG 156.A N LEU 153.A O no hydrogen 3.254 N/A ARG 156.A NH2 ASP 116.A OD1 no hydrogen 3.516 N/A LEU 157.A N LEU 153.A O no hydrogen 2.907 N/A SER 158.A N MET 154.A O no hydrogen 2.948 N/A SER 158.A OG MET 154.A O no hydrogen 3.395 N/A SER 158.A OG GLU 155.A O no hydrogen 2.970 N/A SER 158.A OG HIS 197.A ND1 no hydrogen 3.276 N/A VAL 159.A N ARG 156.A O no hydrogen 3.003 N/A ASP 160.A N ARG 156.A O no hydrogen 2.963 N/A TYR 161.A N LEU 157.A O no hydrogen 3.073 N/A LYS 164.A N GLY 162.A O no hydrogen 2.697 N/A LYS 166.A N ASP 199.A OD2 no hydrogen 3.473 N/A LYS 166.A NZ LYS 164.A O no hydrogen 3.400 N/A SER 170.A OG PHE 202.A O no hydrogen 2.606 N/A TYR 172.A N VAL 204.A O no hydrogen 2.656 N/A TYR 172.A OH ALA 387.A O no hydrogen 2.375 N/A SER 178.A OG ALA 180.A O no hydrogen 2.509 N/A SER 178.A OG GLU 183.A OE1 no hydrogen 3.207 N/A ALA 180.A N SER 178.A OG no hydrogen 2.766 N/A ASN 186.A N VAL 182.A O no hydrogen 3.328 N/A ASN 186.A ND2 ASN 101.A O no hydrogen 2.956 N/A ASN 186.A ND2 GLY 142.A O no hydrogen 2.537 N/A SER 187.A N PRO 184.A O no hydrogen 3.267 N/A ILE 188.A N PRO 184.A O no hydrogen 2.924 N/A LEU 189.A N TYR 185.A O no hydrogen 3.098 N/A THR 190.A OG1 ASN 186.A O no hydrogen 2.960 N/A THR 191.A N SER 187.A O no hydrogen 2.947 N/A THR 191.A OG1 SER 187.A O no hydrogen 3.083 N/A HIS 192.A N ILE 188.A O no hydrogen 3.001 N/A HIS 192.A ND1 ASP 424.A OD2 no hydrogen 3.072 N/A THR 193.A N LEU 189.A O no hydrogen 3.016 N/A THR 193.A OG1 TYR 103.A OH no hydrogen 3.370 N/A THR 193.A OG1 LEU 189.A O no hydrogen 3.174 N/A THR 194.A N THR 190.A O no hydrogen 2.926 N/A THR 194.A OG1 THR 190.A O no hydrogen 2.618 N/A SER 198.A OG THR 194.A O no hydrogen 2.472 N/A CYS 200.A SG HIS 266.A O no hydrogen 3.835 N/A ALA 201.A N HIS 266.A O no hydrogen 3.145 N/A VAL 204.A N SER 170.A O no hydrogen 3.313 N/A ASN 206.A N ASP 205.A OD1 no hydrogen 2.588 N/A ASP 211.A N GLU 207.A O no hydrogen 3.008 N/A ILE 212.A N ALA 208.A O no hydrogen 2.872 N/A CYS 213.A N ILE 209.A O no hydrogen 2.909 N/A CYS 213.A SG ILE 209.A O no hydrogen 3.327 N/A ARG 214.A N TYR 210.A O no hydrogen 3.017 N/A ARG 215.A N ASP 211.A O no hydrogen 2.976 N/A ARG 215.A N ILE 212.A O no hydrogen 2.736 N/A ASN 216.A N ILE 212.A O no hydrogen 2.948 N/A ILE 219.A N CYS 213.A O no hydrogen 3.265 N/A THR 223.A OG1 THR 225.A OG1 no hydrogen 2.858 N/A THR 223.A OG1 ASN 226.A OD1 no hydrogen 2.960 N/A TYR 224.A OH TYR 210.A OH no hydrogen 2.588 N/A THR 225.A N THR 223.A OG1 no hydrogen 3.158 N/A THR 225.A OG1 THR 223.A OG1 no hydrogen 2.858 N/A ASN 228.A ND2 GLN 15.A O no hydrogen 3.253 N/A ARG 229.A N THR 225.A O no hydrogen 3.140 N/A LEU 230.A N LEU 227.A O no hydrogen 2.912 N/A ILE 231.A N LEU 227.A O no hydrogen 3.075 N/A SER 232.A N ASN 228.A O no hydrogen 2.867 N/A SER 232.A OG ASN 228.A O no hydrogen 3.569 N/A SER 232.A OG ARG 229.A O no hydrogen 2.589 N/A GLN 233.A N ARG 229.A O no hydrogen 2.915 N/A GLN 233.A NE2 THR 361.A O no hydrogen 3.355 N/A ILE 234.A N LEU 230.A O no hydrogen 2.978 N/A VAL 235.A N ILE 231.A O no hydrogen 2.997 N/A SER 236.A N SER 232.A O no hydrogen 2.907 N/A SER 236.A OG GLU 27.A OE2 no hydrogen 3.389 N/A SER 237.A N GLN 233.A O no hydrogen 2.901 N/A SER 237.A OG GLN 233.A O no hydrogen 2.989 N/A ILE 238.A N ILE 234.A O no hydrogen 3.034 N/A ILE 238.A N VAL 235.A O no hydrogen 3.152 N/A THR 239.A N VAL 235.A O no hydrogen 2.914 N/A THR 239.A OG1 TYR 24.A OH no hydrogen 2.894 N/A THR 239.A OG1 VAL 235.A O no hydrogen 3.049 N/A THR 239.A OG1 SER 236.A O no hydrogen 3.561 N/A ALA 240.A N SER 236.A O no hydrogen 2.973 N/A SER 241.A N ILE 238.A O no hydrogen 3.223 N/A SER 241.A OG VAL 250.A O no hydrogen 2.730 N/A ARG 243.A N THR 239.A O no hydrogen 3.021 N/A ARG 243.A NE THR 239.A O no hydrogen 3.121 N/A ARG 243.A NH1 GLU 27.A OE1 no hydrogen 2.365 N/A ARG 243.A NH2 SER 236.A OG no hydrogen 3.381 N/A PHE 244.A N ALA 240.A O no hydrogen 2.850 N/A ASN 249.A ND2 SER 241.A O no hydrogen 3.488 N/A VAL 250.A N SER 241.A OG no hydrogen 2.426 N/A LEU 252.A N ASP 251.A OD1 no hydrogen 2.509 N/A GLU 254.A N ASP 251.A O no hydrogen 3.283 N/A THR 257.A OG1 THR 253.A O no hydrogen 3.485 N/A ASN 258.A N GLU 254.A O no hydrogen 2.960 N/A VAL 260.A N THR 257.A O no hydrogen 3.459 N/A ARG 264.A NH2 ASP 424.A OD1 no hydrogen 2.465 N/A LEU 269.A N SER 379.A O no hydrogen 2.937 N/A THR 271.A OG1 ALA 270.A O no hydrogen 2.520 N/A ALA 273.A N VAL 375.A O no hydrogen 3.445 N/A ALA 278.A N SER 277.A OG no hydrogen 2.779 N/A LYS 280.A NZ ASN 216.A O no hydrogen 2.632 N/A SER 287.A N GLU 290.A OE1 no hydrogen 3.254 N/A GLU 290.A N SER 287.A OG no hydrogen 3.238 N/A THR 292.A N VAL 288.A O no hydrogen 2.911 N/A THR 292.A OG1 VAL 288.A O no hydrogen 3.179 N/A THR 292.A OG1 TYR 319.A OH no hydrogen 2.550 N/A ASN 293.A N ALA 289.A O no hydrogen 2.939 N/A ALA 294.A N GLU 290.A O no hydrogen 2.924 N/A CYS 295.A N ILE 291.A O no hydrogen 2.877 N/A CYS 295.A SG ILE 291.A O no hydrogen 3.052 N/A PHE 296.A N ASN 293.A O no hydrogen 3.290 N/A GLU 297.A N ALA 294.A O no hydrogen 3.048 N/A ASN 300.A ND2 ALA 294.A O no hydrogen 3.645 N/A GLN 301.A N PRO 298.A O no hydrogen 3.445 N/A CYS 305.A N VAL 303.A O no hydrogen 2.660 N/A ARG 308.A N ASP 306.A OD1 no hydrogen 2.752 N/A ARG 308.A NE ASP 306.A OD1 no hydrogen 3.211 N/A ARG 308.A NE ASP 306.A OD2 no hydrogen 3.434 N/A ARG 308.A NH2 ASP 306.A OD2 no hydrogen 2.880 N/A GLY 310.A N PRO 307.A O no hydrogen 2.548 N/A LYS 311.A N THR 382.A OG1 no hydrogen 2.711 N/A MET 313.A N ASN 380.A O no hydrogen 2.713 N/A ALA 314.A N ASN 380.A O no hydrogen 3.013 N/A CYS 316.A N LEU 378.A O no hydrogen 2.923 N/A LEU 317.A N LYS 352.A O no hydrogen 3.159 N/A LEU 318.A N CYS 376.A O no hydrogen 2.935 N/A TYR 319.A N GLY 354.A O no hydrogen 3.085 N/A ARG 320.A NH2 SER 236.A OG no hydrogen 3.302 N/A ARG 320.A NH2 PRO 359.A O no hydrogen 3.285 N/A GLY 321.A N GLN 358.A O no hydrogen 2.566 N/A ASP 327.A N VAL 324.A O no hydrogen 2.789 N/A ASN 329.A N PRO 325.A O no hydrogen 2.978 N/A ALA 330.A N LYS 326.A O no hydrogen 2.905 N/A ALA 331.A N ASP 327.A O no hydrogen 2.893 N/A ILE 332.A N VAL 328.A O no hydrogen 2.944 N/A ALA 333.A N ASN 329.A O no hydrogen 2.955 N/A THR 334.A N ALA 330.A O no hydrogen 2.902 N/A THR 334.A OG1 ALA 330.A O no hydrogen 3.047 N/A ILE 335.A N ALA 331.A O no hydrogen 2.920 N/A LYS 336.A N ILE 332.A O no hydrogen 2.989 N/A LYS 336.A NZ PRO 348.A O no hydrogen 3.262 N/A THR 337.A N ALA 333.A O no hydrogen 2.917 N/A THR 337.A OG1 ALA 333.A O no hydrogen 2.594 N/A LYS 338.A N ILE 335.A O no hydrogen 3.047 N/A ARG 339.A NH2 LYS 336.A O no hydrogen 2.863 N/A GLN 342.A NE2 ARG 339.A O no hydrogen 2.873 N/A CYS 347.A SG MET 313.A O no hydrogen 3.790 N/A CYS 347.A SG THR 349.A OG1 no hydrogen 3.727 N/A PHE 351.A N THR 349.A O no hydrogen 2.621 N/A LYS 352.A NZ GLU 254.A OE1 no hydrogen 2.612 N/A LYS 352.A NZ ASN 258.A OD1 no hydrogen 2.273 N/A GLY 354.A N LEU 317.A O no hydrogen 3.048 N/A ILE 355.A N LEU 248.A O no hydrogen 2.819 N/A GLN 358.A N ASN 356.A OD1 no hydrogen 3.356 N/A VAL 362.A N THR 361.A OG1 no hydrogen 2.698 N/A ARG 373.A NE ASP 322.A O no hydrogen 3.423 N/A ARG 373.A NH1 LEU 286.A O no hydrogen 2.433 N/A ARG 373.A NH2 ASP 322.A O no hydrogen 3.355 N/A CYS 376.A N LEU 318.A O no hydrogen 2.881 N/A CYS 376.A SG THR 271.A O no hydrogen 3.292 N/A CYS 376.A SG MET 377.A O no hydrogen 4.007 N/A MET 377.A N THR 271.A O no hydrogen 2.911 N/A LEU 378.A N CYS 316.A O no hydrogen 2.945 N/A ASN 380.A N ALA 314.A O no hydrogen 2.901 N/A ASN 380.A ND2 LEU 259.A O no hydrogen 2.581 N/A ASN 380.A ND2 ILE 265.A O no hydrogen 3.563 N/A THR 382.A OG1 LYS 311.A O no hydrogen 2.760 N/A ALA 385.A N THR 382.A O no hydrogen 3.505 N/A GLU 386.A N ALA 383.A O no hydrogen 2.939 N/A TRP 388.A N ALA 385.A O no hydrogen 2.917 N/A ALA 389.A N ALA 385.A O no hydrogen 2.627 N/A ARG 390.A N GLU 386.A O no hydrogen 2.938 N/A ASP 392.A N TRP 388.A O no hydrogen 3.156 N/A LYS 394.A N ARG 390.A O no hydrogen 2.695 N/A LYS 394.A NZ PRO 175.A O no hydrogen 2.661 N/A PHE 395.A N ASP 392.A O no hydrogen 2.944 N/A ASP 396.A N ASP 392.A O no hydrogen 2.640 N/A TYR 399.A N PHE 395.A O no hydrogen 3.048 N/A ALA 400.A N ASP 396.A O no hydrogen 3.229 N/A ALA 400.A N LEU 397.A O no hydrogen 2.927 N/A LYS 401.A N MET 398.A O no hydrogen 2.882 N/A ARG 402.A N TYR 399.A O no hydrogen 3.168 N/A TYR 408.A N VAL 405.A O no hydrogen 2.450 N/A TYR 408.A OH ASN 186.A OD1 no hydrogen 2.692 N/A VAL 409.A N VAL 405.A O no hydrogen 3.147 N/A GLY 410.A N HIS 406.A O no hydrogen 2.933 N/A GLU 411.A N TYR 408.A O no hydrogen 2.836 N/A GLY 412.A N VAL 409.A O no hydrogen 3.264 N/A GLU 415.A N GLU 415.A OE1 no hydrogen 2.354 N/A GLY 416.A N GLU 414.A OE2 no hydrogen 2.929 N/A GLU 417.A N GLU 414.A O no hydrogen 3.166 N/A PHE 418.A N GLU 415.A O no hydrogen 2.950 N/A GLU 420.A N GLU 417.A O no hydrogen 2.994 N/A ALA 421.A N GLU 417.A O no hydrogen 3.311 N/A ARG 422.A N PHE 418.A O no hydrogen 3.200 N/A ARG 422.A NE ASP 396.A OD1 no hydrogen 2.637 N/A ARG 422.A NH2 ASP 396.A OD2 no hydrogen 2.554 N/A GLU 423.A N GLU 420.A O no hydrogen 2.912 N/A ASP 424.A N GLU 420.A O no hydrogen 3.006 N/A MET 425.A N ALA 421.A O no hydrogen 2.712 N/A ALA 426.A N ARG 422.A O no hydrogen 3.145 N/A ALA 427.A N GLU 423.A O no hydrogen 2.904 N/A GLU 429.A N MET 425.A O no hydrogen 3.047 N/A LYS 430.A N ALA 426.A O no hydrogen 3.096 N/A ASP 431.A N ALA 427.A O no hydrogen 3.124 N/A TYR 432.A N LEU 428.A O no hydrogen 3.197 N/A GLU 433.A N GLU 429.A O no hydrogen 3.181 N/A GLU 433.A N LYS 430.A O no hydrogen 2.944 N/A GLU 434.A N LYS 430.A O no hydrogen 2.522 N/A GLU 434.A N ASP 431.A O no hydrogen 2.941 N/A VAL 435.A N ASP 431.A O no hydrogen 3.083 N/A VAL 437.A N GLU 434.A O no hydrogen 3.115 N/A SER 439.A N ASP 345.A OD2 no hydrogen 3.222 N/A SER 439.A OG ASP 345.A OD2 no hydrogen 3.560 N/A SER 439.A OG GLU 441.A OE2 no hydrogen 3.460 N/A