Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6wwp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 3.A OE2 no hydrogen 3.531 N/A CYS 4.A N THR 51.A O no hydrogen 3.277 N/A SER 6.A N ARG 64.A O no hydrogen 3.426 N/A ILE 7.A N LEU 136.A O no hydrogen 2.846 N/A HIS 8.A ND1 GLY 13.A O no hydrogen 3.276 N/A VAL 9.A N PHE 138.A O no hydrogen 2.923 N/A GLY 10.A N VAL 68.A O no hydrogen 2.952 N/A GLN 11.A NE2 GLN 15.A OE1 no hydrogen 3.449 N/A VAL 14.A N GLY 10.A O no hydrogen 2.895 N/A GLN 15.A N GLN 11.A O no hydrogen 2.945 N/A ILE 16.A N ALA 12.A O no hydrogen 2.924 N/A GLY 17.A N GLY 13.A O no hydrogen 2.852 N/A ASN 18.A N VAL 14.A O no hydrogen 2.869 N/A ALA 19.A N GLN 15.A O no hydrogen 3.028 N/A CYS 20.A N ILE 16.A O no hydrogen 2.866 N/A CYS 20.A SG ILE 16.A O no hydrogen 3.235 N/A TRP 21.A N GLY 17.A O no hydrogen 2.861 N/A GLU 22.A N ALA 19.A O no hydrogen 3.184 N/A LEU 23.A N ALA 19.A O no hydrogen 2.992 N/A TYR 24.A N CYS 20.A O no hydrogen 2.889 N/A TYR 24.A OH VAL 235.A O no hydrogen 3.233 N/A TYR 24.A OH THR 239.A OG1 no hydrogen 2.636 N/A CYS 25.A SG TRP 21.A O no hydrogen 3.144 N/A LEU 26.A N GLU 22.A O no hydrogen 2.938 N/A LEU 26.A N LEU 23.A O no hydrogen 3.080 N/A GLU 27.A N LEU 23.A O no hydrogen 2.940 N/A HIS 28.A N TYR 24.A O no hydrogen 3.239 N/A HIS 28.A ND1 ASP 47.A O no hydrogen 2.466 N/A GLN 31.A N GLN 35.A O no hydrogen 3.042 N/A GLY 34.A N GLN 31.A O no hydrogen 2.826 N/A GLN 35.A N ASP 33.A OD1 no hydrogen 3.147 N/A GLN 35.A NE2 ALA 58.A O no hydrogen 3.648 N/A THR 41.A N SER 38.A O no hydrogen 2.681 N/A THR 41.A OG1 PRO 37.A O no hydrogen 3.378 N/A THR 41.A OG1 SER 38.A O no hydrogen 2.467 N/A ILE 42.A N SER 38.A O no hydrogen 2.872 N/A SER 48.A OG HIS 61.A NE2 no hydrogen 2.524 N/A THR 51.A OG1 ARG 2.A O no hydrogen 2.503 N/A THR 51.A OG1 LEU 242.A O no hydrogen 3.034 N/A SER 54.A N VAL 62.A O no hydrogen 2.547 N/A SER 54.A OG VAL 62.A O no hydrogen 2.834 N/A GLY 57.A N THR 56.A OG1 no hydrogen 2.765 N/A LYS 60.A NZ ASP 33.A O no hydrogen 3.003 N/A ARG 64.A N PHE 52.A O no hydrogen 2.748 N/A ARG 64.A NE ASN 50.A O no hydrogen 3.274 N/A ARG 64.A NH2 ASN 50.A O no hydrogen 3.333 N/A VAL 68.A N HIS 8.A O no hydrogen 3.277 N/A THR 73.A OG1 GLU 71.A OE2 no hydrogen 3.466 N/A GLU 77.A N VAL 74.A O no hydrogen 2.765 N/A ARG 79.A N ILE 75.A O no hydrogen 2.917 N/A ARG 79.A NH2 PRO 89.A O no hydrogen 2.760 N/A THR 80.A OG1 ASP 76.A O no hydrogen 2.341 N/A GLY 81.A N VAL 78.A O no hydrogen 3.100 N/A GLU 90.A N HIS 88.A ND1 no hydrogen 3.297 N/A GLN 91.A N PRO 89.A O no hydrogen 2.845 N/A LEU 92.A N PHE 67.A O no hydrogen 2.725 N/A ASN 102.A N ALA 99.A O no hydrogen 2.657 N/A ASN 102.A ND2 TRP 407.A O no hydrogen 2.617 N/A ALA 104.A N ASN 102.A OD1 no hydrogen 3.063 N/A ARG 105.A N ASN 102.A O no hydrogen 2.961 N/A ARG 105.A NE ASP 98.A O no hydrogen 3.067 N/A ARG 105.A NH1 GLU 411.A OE2 no hydrogen 3.139 N/A ARG 105.A NH2 GLU 97.A OE1 no hydrogen 2.455 N/A ARG 105.A NH2 ASP 98.A O no hydrogen 3.102 N/A GLY 106.A N ASN 102.A O no hydrogen 3.425 N/A HIS 107.A N ALA 104.A O no hydrogen 3.432 N/A TYR 108.A N.A ALA 104.A O no hydrogen 3.166 N/A TYR 108.A N.B ALA 104.A O no hydrogen 3.154 N/A THR 109.A OG1 GLU 411.A OE1 no hydrogen 2.338 N/A ILE 110.A N ARG 105.A O no hydrogen 2.636 N/A VAL 118.A N ILE 114.A O no hydrogen 3.198 N/A LEU 119.A N ILE 115.A O no hydrogen 2.885 N/A ARG 121.A N VAL 118.A O no hydrogen 3.114 N/A ILE 122.A N VAL 118.A O no hydrogen 3.057 N/A ARG 123.A N LEU 119.A O no hydrogen 3.343 N/A ALA 126.A N ILE 122.A O no hydrogen 3.191 N/A ASP 127.A N ARG 123.A O no hydrogen 3.207 N/A GLN 128.A N LEU 125.A O no hydrogen 2.736 N/A CYS 129.A N ALA 126.A O no hydrogen 3.361 N/A CYS 129.A SG LEU 125.A O no hydrogen 3.469 N/A THR 130.A N GLU 3.A OE2 no hydrogen 3.242 N/A GLN 133.A N GLU 3.A O no hydrogen 3.072 N/A LEU 136.A N ILE 5.A O no hydrogen 2.935 N/A VAL 137.A N LEU 167.A O no hydrogen 3.210 N/A PHE 138.A N ILE 7.A O no hydrogen 2.892 N/A HIS 139.A N PHE 169.A O no hydrogen 3.235 N/A SER 140.A OG PHE 141.A O no hydrogen 3.208 N/A THR 145.A OG1 ASP 69.A O no hydrogen 3.383 N/A SER 147.A N GLY 144.A O no hydrogen 3.442 N/A SER 147.A OG ASN 186.A O no hydrogen 3.176 N/A SER 147.A OG THR 190.A OG1 no hydrogen 2.059 N/A GLY 148.A N GLY 144.A O no hydrogen 2.818 N/A THR 150.A N THR 145.A O no hydrogen 3.296 N/A THR 150.A OG1 GLU 168.A OE2 no hydrogen 3.544 N/A SER 151.A OG SER 147.A O no hydrogen 3.544 N/A SER 151.A OG GLY 148.A O no hydrogen 2.538 N/A LEU 152.A N GLY 148.A O no hydrogen 2.850 N/A LEU 153.A N PHE 149.A O no hydrogen 2.836 N/A MET 154.A N THR 150.A O no hydrogen 2.877 N/A GLU 155.A N SER 151.A O no hydrogen 2.916 N/A ARG 156.A N LEU 152.A O no hydrogen 2.932 N/A LEU 157.A N LEU 153.A O no hydrogen 2.874 N/A SER 158.A N MET 154.A O no hydrogen 3.150 N/A LYS 164.A N GLY 162.A O no hydrogen 2.720 N/A LYS 164.A NZ LEU 132.A O no hydrogen 3.165 N/A SER 165.A OG GLN 256.A OE1 no hydrogen 2.561 N/A LYS 166.A N ASP 199.A OD2 no hydrogen 3.363 N/A LYS 166.A NZ HIS 197.A O no hydrogen 3.220 N/A LEU 167.A N PHE 135.A O no hydrogen 2.966 N/A GLU 168.A N CYS 200.A O no hydrogen 3.153 N/A PHE 169.A N VAL 137.A O no hydrogen 3.328 N/A SER 170.A OG PHE 202.A O no hydrogen 2.928 N/A SER 178.A OG VAL 177.A O no hydrogen 2.385 N/A SER 178.A OG GLU 183.A OE1 no hydrogen 3.369 N/A ASN 186.A N VAL 182.A O no hydrogen 3.513 N/A ASN 186.A ND2 ASN 101.A O no hydrogen 3.083 N/A ASN 186.A ND2 GLY 142.A O no hydrogen 2.532 N/A SER 187.A N GLU 183.A O no hydrogen 2.949 N/A SER 187.A OG GLU 183.A O no hydrogen 2.738 N/A ILE 188.A N PRO 184.A O no hydrogen 2.896 N/A LEU 189.A N TYR 185.A O no hydrogen 2.947 N/A THR 190.A N SER 187.A O no hydrogen 3.059 N/A THR 190.A OG1 SER 147.A OG no hydrogen 2.059 N/A THR 190.A OG1 ASN 186.A O no hydrogen 2.191 N/A THR 191.A N SER 187.A O no hydrogen 2.930 N/A THR 191.A OG1 SER 187.A O no hydrogen 3.201 N/A HIS 192.A N ILE 188.A O no hydrogen 3.348 N/A HIS 192.A NE2 GLU 420.A OE2 no hydrogen 2.951 N/A THR 193.A N THR 190.A O no hydrogen 2.981 N/A THR 193.A OG1 LEU 189.A O no hydrogen 3.255 N/A THR 194.A N THR 190.A O no hydrogen 2.751 N/A THR 194.A OG1 THR 190.A O no hydrogen 2.737 N/A SER 198.A OG THR 194.A O no hydrogen 2.649 N/A SER 198.A OG HIS 266.A NE2 no hydrogen 2.581 N/A ASP 199.A N LYS 166.A O no hydrogen 3.152 N/A ALA 201.A N HIS 266.A O no hydrogen 2.952 N/A VAL 204.A N SER 170.A O no hydrogen 2.990 N/A ILE 209.A N ASP 205.A O no hydrogen 3.271 N/A TYR 210.A N ASN 206.A O no hydrogen 2.888 N/A ASP 211.A N GLU 207.A O no hydrogen 2.932 N/A ILE 212.A N ALA 208.A O no hydrogen 2.890 N/A CYS 213.A N ILE 209.A O no hydrogen 2.901 N/A CYS 213.A SG ILE 209.A O no hydrogen 3.327 N/A CYS 213.A SG ASN 226.A O no hydrogen 3.955 N/A ARG 214.A N TYR 210.A O no hydrogen 3.351 N/A ARG 214.A NH2 ASP 211.A OD1 no hydrogen 3.342 N/A ARG 215.A N ILE 212.A O no hydrogen 3.301 N/A ARG 215.A NH1 ALA 299.A O no hydrogen 2.531 N/A ARG 215.A NH2 ALA 299.A O no hydrogen 2.705 N/A ASN 216.A N ILE 212.A O no hydrogen 2.943 N/A ILE 219.A N CYS 213.A O no hydrogen 3.154 N/A TYR 224.A N THR 223.A OG1 no hydrogen 2.589 N/A THR 225.A OG1 ASN 226.A OD1 no hydrogen 3.012 N/A ASN 226.A N THR 223.A O no hydrogen 2.708 N/A ASN 226.A ND2 ASP 367.A OD1 no hydrogen 3.470 N/A ASN 226.A ND2 ASP 367.A OD2 no hydrogen 2.551 N/A LEU 227.A N TYR 224.A O no hydrogen 3.174 N/A ASN 228.A N TYR 224.A O no hydrogen 2.937 N/A ARG 229.A NH1 GLY 365.A O no hydrogen 3.075 N/A ARG 229.A NH2 GLU 22.A OE1 no hydrogen 3.528 N/A ILE 231.A N LEU 227.A O no hydrogen 3.038 N/A SER 232.A N ASN 228.A O no hydrogen 2.831 N/A SER 232.A OG ASN 228.A O no hydrogen 3.455 N/A SER 232.A OG ARG 229.A O no hydrogen 2.314 N/A GLN 233.A N ARG 229.A O no hydrogen 2.916 N/A GLN 233.A NE2 THR 361.A O no hydrogen 3.290 N/A ILE 234.A N LEU 230.A O no hydrogen 2.963 N/A VAL 235.A N ILE 231.A O no hydrogen 2.958 N/A SER 236.A N SER 232.A O no hydrogen 2.843 N/A SER 236.A OG GLU 27.A OE2 no hydrogen 3.168 N/A SER 237.A N GLN 233.A O no hydrogen 2.953 N/A SER 237.A OG GLN 233.A O no hydrogen 3.161 N/A ILE 238.A N ILE 234.A O no hydrogen 2.936 N/A THR 239.A N SER 236.A O no hydrogen 3.034 N/A THR 239.A OG1 TYR 24.A OH no hydrogen 2.636 N/A THR 239.A OG1 VAL 235.A O no hydrogen 2.576 N/A ARG 243.A N ALA 240.A O no hydrogen 3.027 N/A ARG 243.A NE THR 239.A O no hydrogen 2.559 N/A ARG 243.A NH2 SER 236.A OG no hydrogen 2.680 N/A ARG 243.A NH2 THR 239.A O no hydrogen 3.033 N/A PHE 244.A N ALA 240.A O no hydrogen 3.004 N/A VAL 250.A N SER 241.A OG no hydrogen 2.992 N/A THR 257.A OG1 THR 253.A O no hydrogen 2.772 N/A ASN 258.A N PHE 255.A O no hydrogen 2.992 N/A LEU 259.A N PHE 255.A O no hydrogen 2.888 N/A ARG 264.A NH2 ASP 424.A O no hydrogen 3.523 N/A ILE 265.A N TYR 262.A O no hydrogen 3.395 N/A HIS 266.A ND1 PRO 263.A O no hydrogen 3.195 N/A LEU 269.A N SER 379.A O no hydrogen 2.873 N/A THR 271.A N MET 377.A O no hydrogen 2.950 N/A THR 271.A OG1 ASN 300.A O no hydrogen 2.953 N/A ALA 281.A N ALA 278.A O no hydrogen 3.225 N/A ILE 291.A N SER 287.A O no hydrogen 3.262 N/A THR 292.A N VAL 288.A O no hydrogen 2.886 N/A THR 292.A OG1 VAL 288.A O no hydrogen 3.155 N/A THR 292.A OG1 TYR 319.A OH no hydrogen 2.508 N/A ASN 293.A N ALA 289.A O no hydrogen 2.922 N/A ASN 293.A ND2 ALA 289.A O no hydrogen 3.253 N/A ALA 294.A N GLU 290.A O no hydrogen 2.898 N/A ALA 294.A N ILE 291.A O no hydrogen 2.835 N/A CYS 295.A N ILE 291.A O no hydrogen 2.902 N/A CYS 295.A SG ILE 291.A O no hydrogen 3.559 N/A GLU 297.A N ALA 294.A O no hydrogen 2.981 N/A ASN 300.A N GLU 297.A O no hydrogen 3.312 N/A LYS 304.A NZ ASP 211.A OD2 no hydrogen 2.901 N/A CYS 305.A N VAL 303.A O no hydrogen 2.688 N/A ARG 308.A NE ASP 306.A OD1 no hydrogen 3.044 N/A ARG 308.A NH2 ASP 306.A OD1 no hydrogen 3.148 N/A ARG 308.A NH2 ASP 306.A OD2 no hydrogen 3.035 N/A HIS 309.A N ASP 306.A O no hydrogen 2.994 N/A GLY 310.A N PRO 307.A O no hydrogen 3.099 N/A LYS 311.A N THR 382.A OG1 no hydrogen 2.717 N/A LYS 311.A NZ GLY 436.A O no hydrogen 3.060 N/A TYR 312.A N GLN 342.A O no hydrogen 3.341 N/A MET 313.A N ASN 380.A O no hydrogen 3.036 N/A CYS 315.A SG SER 379.A OG no hydrogen 3.609 N/A CYS 316.A N LEU 378.A O no hydrogen 2.865 N/A LEU 317.A N LYS 352.A O no hydrogen 2.955 N/A LEU 318.A N CYS 376.A O no hydrogen 2.901 N/A TYR 319.A N GLY 354.A O no hydrogen 2.699 N/A ARG 320.A N ALA 374.A O no hydrogen 2.869 N/A ARG 320.A NH1 SER 236.A OG no hydrogen 3.196 N/A ARG 320.A NH2 GLU 27.A OE2 no hydrogen 3.500 N/A GLY 321.A N ASN 356.A O no hydrogen 2.945 N/A ASP 322.A N GLN 372.A O no hydrogen 3.089 N/A VAL 323.A N GLY 321.A O no hydrogen 2.822 N/A ASP 327.A N VAL 324.A O no hydrogen 3.147 N/A ASN 329.A N PRO 325.A O no hydrogen 2.912 N/A ALA 330.A N LYS 326.A O no hydrogen 2.961 N/A ALA 331.A N ASP 327.A O no hydrogen 2.898 N/A ILE 332.A N VAL 328.A O no hydrogen 2.913 N/A ALA 333.A N ASN 329.A O no hydrogen 2.962 N/A THR 334.A N ALA 330.A O no hydrogen 2.922 N/A THR 334.A OG1 ALA 330.A O no hydrogen 2.990 N/A ILE 335.A N ALA 331.A O no hydrogen 2.915 N/A LYS 336.A N ILE 332.A O no hydrogen 2.922 N/A LYS 336.A NZ PRO 348.A O no hydrogen 3.285 N/A THR 337.A N ALA 333.A O no hydrogen 2.929 N/A THR 337.A OG1 ALA 333.A O no hydrogen 2.590 N/A LYS 338.A N ILE 335.A O no hydrogen 3.276 N/A GLN 342.A NE2 ARG 339.A O no hydrogen 2.862 N/A CYS 347.A SG MET 313.A O no hydrogen 3.286 N/A CYS 347.A SG THR 349.A OG1 no hydrogen 3.602 N/A GLY 350.A N THR 349.A OG1 no hydrogen 2.610 N/A LYS 352.A N CYS 315.A O no hydrogen 3.157 N/A LYS 352.A NZ GLU 254.A OE1 no hydrogen 3.029 N/A GLY 354.A N LEU 317.A O no hydrogen 3.059 N/A ILE 355.A N LEU 248.A O no hydrogen 3.052 N/A ASN 356.A N TYR 319.A O no hydrogen 3.168 N/A ASN 356.A ND2 ALA 240.A O no hydrogen 3.059 N/A GLN 358.A N ASN 356.A OD1 no hydrogen 3.479 N/A GLY 366.A N VAL 363.A O no hydrogen 3.166 N/A ARG 373.A NE ASP 322.A O no hydrogen 2.757 N/A ARG 373.A NH1 LEU 286.A O no hydrogen 2.660 N/A ARG 373.A NH2 ASP 322.A O no hydrogen 3.128 N/A ALA 374.A N ARG 320.A O no hydrogen 2.916 N/A CYS 376.A N LEU 318.A O no hydrogen 2.899 N/A CYS 376.A SG THR 271.A O no hydrogen 3.695 N/A MET 377.A N THR 271.A O no hydrogen 2.922 N/A LEU 378.A N CYS 316.A O no hydrogen 2.915 N/A SER 379.A N LEU 269.A O no hydrogen 2.906 N/A ASN 380.A N ALA 314.A O no hydrogen 2.927 N/A ASN 380.A ND2 LEU 259.A O no hydrogen 2.891 N/A ASN 380.A ND2 ILE 265.A O no hydrogen 2.984 N/A THR 382.A N LYS 311.A O no hydrogen 2.642 N/A THR 382.A OG1 LYS 311.A O no hydrogen 2.786 N/A ALA 383.A N THR 381.A OG1 no hydrogen 3.170 N/A GLU 386.A N ALA 383.A O no hydrogen 3.136 N/A ALA 387.A N ILE 384.A O no hydrogen 3.105 N/A TRP 388.A N ILE 384.A O no hydrogen 3.283 N/A ALA 389.A N ALA 385.A O no hydrogen 2.929 N/A ARG 390.A N GLU 386.A O no hydrogen 2.917 N/A LEU 391.A N ALA 387.A O no hydrogen 2.885 N/A ASP 392.A N TRP 388.A O no hydrogen 2.897 N/A HIS 393.A N ALA 389.A O no hydrogen 2.940 N/A LYS 394.A NZ PRO 175.A O no hydrogen 2.797 N/A PHE 395.A N LEU 391.A O no hydrogen 3.457 N/A ASP 396.A N ASP 392.A O no hydrogen 2.906 N/A LEU 397.A N HIS 393.A O no hydrogen 2.897 N/A MET 398.A N LYS 394.A O no hydrogen 2.986 N/A TYR 399.A N PHE 395.A O no hydrogen 2.817 N/A TYR 399.A OH GLU 415.A O no hydrogen 3.187 N/A ALA 400.A N ASP 396.A O no hydrogen 2.925 N/A ALA 403.A N MET 398.A O no hydrogen 3.148 N/A TYR 408.A N VAL 405.A O no hydrogen 2.945 N/A TYR 408.A OH ASN 186.A OD1 no hydrogen 2.350 N/A VAL 409.A N VAL 405.A O no hydrogen 2.969 N/A GLY 410.A N HIS 406.A O no hydrogen 3.161 N/A GLU 411.A N TYR 408.A O no hydrogen 3.388 N/A GLY 412.A N VAL 409.A O no hydrogen 3.185 N/A MET 413.A N TYR 408.A O no hydrogen 3.128 N/A GLY 416.A N GLU 414.A OE1 no hydrogen 3.010 N/A GLU 420.A N GLY 416.A O no hydrogen 2.429 N/A ALA 421.A N GLU 417.A O no hydrogen 2.888 N/A ARG 422.A N PHE 418.A O no hydrogen 3.343 N/A ARG 422.A NE ASP 396.A OD1 no hydrogen 3.047 N/A ARG 422.A NH1 ASP 392.A OD2 no hydrogen 2.570 N/A GLU 423.A N GLU 420.A O no hydrogen 3.346 N/A ASP 424.A N ALA 421.A O no hydrogen 2.951 N/A GLU 429.A N MET 425.A O no hydrogen 3.025 N/A LYS 430.A N ALA 427.A O no hydrogen 3.226 N/A ASP 431.A N ALA 427.A O no hydrogen 2.886 N/A TYR 432.A N LEU 428.A O no hydrogen 3.393 N/A GLU 434.A N LYS 430.A O no hydrogen 2.916 N/A VAL 435.A N ASP 431.A O no hydrogen 2.952 N/A VAL 437.A N GLU 434.A O no hydrogen 3.080 N/A SER 439.A N ASP 345.A OD2 no hydrogen 2.598 N/A SER 439.A OG ASP 345.A OD2 no hydrogen 3.003 N/A