Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6msd_W.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 3.A OD1 no hydrogen 3.322 N/A GLU 7.A N ASP 3.A O no hydrogen 2.607 N/A ARG 8.A N GLY 4.A O no hydrogen 3.001 N/A ARG 8.A NH2 GLY 4.A O no hydrogen 3.322 N/A ALA 9.A N GLY 5.A O no hydrogen 3.056 N/A ASP 10.A N SER 6.A O no hydrogen 2.942 N/A GLY 11.A N GLU 7.A O no hydrogen 3.069 N/A ARG 12.A N ALA 9.A O no hydrogen 3.075 N/A ARG 12.A NH2 GLY 11.A O no hydrogen 3.079 N/A ILE 13.A N ALA 9.A O no hydrogen 2.814 N/A THR 23.A OG1 TYR 20.A O no hydrogen 3.269 N/A ASP 25.A N SER 21.A O no hydrogen 2.977 N/A GLN 26.A N ALA 22.A O no hydrogen 2.637 N/A ARG 27.A N VAL 24.A O no hydrogen 3.245 N/A GLU 30.A N GLU 30.A OE1 no hydrogen 2.797 N/A CYS 31.A N ARG 27.A O no hydrogen 3.200 N/A CYS 31.A SG ARG 27.A O no hydrogen 3.210 N/A CYS 31.A SG GLU 51.A OE2 no hydrogen 3.261 N/A ALA 32.A N LEU 28.A O no hydrogen 2.569 N/A LYS 33.A N PRO 29.A O no hydrogen 2.702 N/A LEU 34.A N GLU 30.A O no hydrogen 3.504 N/A ALA 35.A N CYS 31.A O no hydrogen 2.945 N/A LYS 36.A N ALA 32.A O no hydrogen 2.879 N/A LYS 36.A N LYS 33.A O no hydrogen 3.042 N/A GLU 37.A N LYS 33.A O no hydrogen 3.251 N/A GLU 37.A N LEU 34.A O no hydrogen 3.360 N/A GLY 38.A N LEU 34.A O no hydrogen 3.435 N/A THR 46.A N GLU 42.A O no hydrogen 2.970 N/A THR 46.A OG1 GLU 42.A O no hydrogen 2.757 N/A THR 46.A OG1 VAL 43.A O no hydrogen 2.789 N/A LEU 47.A N VAL 43.A O no hydrogen 2.450 N/A LEU 48.A N ILE 44.A O no hydrogen 2.883 N/A SER 49.A N GLU 45.A O no hydrogen 2.789 N/A SER 49.A OG THR 46.A O no hydrogen 2.576 N/A LEU 50.A N LEU 47.A O no hydrogen 2.942 N/A LYS 52.A N LEU 48.A O no hydrogen 3.443 N/A GLN 53.A N LEU 50.A O no hydrogen 3.096 N/A THR 54.A N LEU 50.A O no hydrogen 3.000 N/A THR 54.A OG1 LEU 50.A O no hydrogen 3.451 N/A THR 54.A OG1 GLU 51.A O no hydrogen 3.126 N/A ARG 55.A N GLU 51.A O no hydrogen 3.044 N/A ARG 55.A NH1 TYR 75.A O no hydrogen 3.480 N/A THR 56.A OG1 LYS 52.A O no hydrogen 3.416 N/A THR 56.A OG1 GLN 53.A O no hydrogen 2.518 N/A ALA 57.A N GLN 53.A O no hydrogen 2.608 N/A SER 58.A N THR 54.A O no hydrogen 2.570 N/A SER 58.A OG ARG 55.A O no hydrogen 2.524 N/A ASP 59.A N ARG 55.A O no hydrogen 2.774 N/A MET 60.A N THR 56.A O no hydrogen 2.858 N/A VAL 61.A N ALA 57.A O no hydrogen 3.027 N/A SER 62.A N SER 58.A O no hydrogen 2.596 N/A SER 62.A OG SER 58.A O no hydrogen 2.993 N/A SER 62.A OG ASP 59.A O no hydrogen 3.496 N/A THR 63.A N ASP 59.A O no hydrogen 2.738 N/A THR 63.A OG1 ASP 59.A O no hydrogen 2.298 N/A THR 63.A OG1 TYR 111.A OH no hydrogen 2.369 N/A SER 64.A OG MET 60.A O no hydrogen 3.022 N/A SER 64.A OG VAL 61.A O no hydrogen 2.877 N/A ARG 65.A NE VAL 61.A O no hydrogen 3.445 N/A VAL 68.A N ILE 66.A O no hydrogen 2.975 N/A LYS 72.A NZ PRO 119.A O no hydrogen 3.071 N/A TYR 75.A N LYS 72.A O no hydrogen 2.837 N/A GLU 76.A N LYS 72.A O no hydrogen 3.311 N/A LYS 78.A NZ ASP 25.A OD1 no hydrogen 2.941 N/A GLU 79.A N TYR 75.A O no hydrogen 2.912 N/A TRP 80.A N GLU 76.A O no hydrogen 3.004 N/A ASP 81.A N ALA 77.A O no hydrogen 2.839 N/A LEU 82.A N LYS 78.A O no hydrogen 3.022 N/A LEU 83.A N GLU 79.A O no hydrogen 3.249 N/A ASN 84.A N ASP 81.A O no hydrogen 3.249 N/A GLU 85.A N ASP 81.A O no hydrogen 3.080 N/A ASN 86.A N LEU 82.A O no hydrogen 2.956 N/A ASN 86.A ND2 ALA 32.A O no hydrogen 2.553 N/A SER 91.A N MET 88.A O no hydrogen 3.071 N/A LYS 92.A N LEU 90.A O no hydrogen 2.769 N/A ARG 94.A NH2 GLN 41.A O no hydrogen 2.494 N/A ALA 100.A N LEU 97.A O no hydrogen 3.081 N/A VAL 101.A N LEU 97.A O no hydrogen 2.718 N/A LYS 103.A NZ LYS 52.A O no hydrogen 3.202 N/A LYS 103.A NZ GLN 99.A O no hydrogen 2.552 N/A MET 104.A N ALA 100.A O no hydrogen 3.120 N/A VAL 105.A N VAL 101.A O no hydrogen 3.164 N/A GLN 106.A N ALA 102.A O no hydrogen 2.964 N/A GLN 107.A N LYS 103.A O no hydrogen 3.086 N/A CYS 108.A N MET 104.A O no hydrogen 3.270 N/A CYS 108.A SG MET 104.A O no hydrogen 3.291 N/A CYS 109.A N VAL 105.A O no hydrogen 3.073 N/A THR 110.A N GLN 107.A O no hydrogen 2.782 N/A THR 110.A OG1 GLN 107.A O no hydrogen 2.362 N/A TYR 111.A N GLN 107.A O no hydrogen 3.108 N/A VAL 112.A N CYS 108.A O no hydrogen 3.321 N/A GLU 114.A N TYR 111.A O no hydrogen 3.047 N/A ILE 115.A N TYR 111.A O no hydrogen 2.561 N/A LYS 121.A NZ ASP 117.A O no hydrogen 3.034 N/A ARG 123.A N PRO 119.A O no hydrogen 2.709 N/A ARG 123.A NH1 ARG 123.A O no hydrogen 3.521 N/A ARG 123.A NH2 MET 104.A O no hydrogen 3.418 N/A LEU 124.A N ILE 120.A O no hydrogen 2.793 N/A ILE 125.A N LYS 121.A O no hydrogen 2.961 N/A ASP 126.A N LEU 122.A O no hydrogen 3.332 N/A THR 127.A N LEU 124.A O no hydrogen 2.986 N/A LEU 128.A N LEU 124.A O no hydrogen 2.925 N/A VAL 138.A N ILE 136.A O no hydrogen 2.615 N/A ARG 142.A NH2 SER 176.A O no hydrogen 2.506 N/A ALA 143.A N ILE 140.A O no hydrogen 2.972 N/A LEU 145.A N GLU 141.A O no hydrogen 2.988 N/A THR 148.A N ARG 144.A O no hydrogen 3.000 N/A THR 148.A OG1 GLU 168.A OE1 no hydrogen 3.218 N/A LEU 149.A N LEU 145.A O no hydrogen 2.775 N/A ALA 150.A N THR 146.A O no hydrogen 2.997 N/A THR 151.A N LYS 147.A O no hydrogen 3.218 N/A THR 151.A OG1 THR 148.A O no hydrogen 2.354 N/A ILE 152.A N LEU 149.A O no hydrogen 2.837 N/A LYS 153.A N LEU 149.A O no hydrogen 3.042 N/A GLN 155.A N GLN 155.A OE1 no hydrogen 2.678 N/A GLN 155.A NE2 THR 151.A O no hydrogen 3.328 N/A GLY 157.A N ILE 152.A O no hydrogen 2.688 N/A GLU 161.A N ASP 158.A OD1 no hydrogen 2.938 N/A ALA 163.A N LYS 160.A O no hydrogen 3.165 N/A SER 164.A N GLU 161.A O no hydrogen 3.148 N/A SER 164.A OG LYS 160.A O no hydrogen 3.404 N/A SER 164.A OG GLU 161.A OE1 no hydrogen 3.173 N/A GLU 168.A N ILE 165.A O no hydrogen 3.134 N/A THR 173.A OG1 GLN 170.A O no hydrogen 2.832 N/A TYR 174.A N VAL 171.A O no hydrogen 3.424 N/A SER 176.A OG GLU 139.A O no hydrogen 3.539 N/A SER 176.A OG GLU 139.A OE1 no hydrogen 3.487 N/A LYS 180.A N GLU 178.A OE2 no hydrogen 2.868 N/A GLU 181.A N GLU 178.A OE2 no hydrogen 2.859 N/A ARG 182.A N GLU 178.A OE1 no hydrogen 2.780 N/A GLU 184.A N LYS 180.A O no hydrogen 2.958 N/A PHE 185.A N GLU 181.A O no hydrogen 3.341 N/A ILE 186.A N ARG 182.A O no hydrogen 3.293 N/A LEU 187.A N VAL 183.A O no hydrogen 2.883 N/A GLU 188.A N PHE 185.A O no hydrogen 3.179 N/A GLN 189.A N GLN 189.A OE1 no hydrogen 2.631 N/A ARG 191.A N GLU 188.A O no hydrogen 3.039 N/A CYS 193.A N GLN 189.A O no hydrogen 2.905 N/A CYS 193.A SG GLN 189.A O no hydrogen 3.238 N/A LEU 194.A N MET 190.A O no hydrogen 2.915 N/A ALA 195.A N ARG 191.A O no hydrogen 3.056 N/A VAL 196.A N LEU 192.A O no hydrogen 2.885 N/A LYS 197.A N LEU 194.A O no hydrogen 3.032 N/A LYS 197.A NZ TYR 199.A OH no hydrogen 2.961 N/A ASP 198.A N CYS 193.A O no hydrogen 2.816 N/A ARG 201.A N ASP 198.A OD1 no hydrogen 3.496 N/A THR 202.A OG1 ASP 198.A O no hydrogen 2.304 N/A GLN 203.A N TYR 199.A O no hydrogen 3.016 N/A ILE 205.A N ARG 201.A O no hydrogen 3.381 N/A SER 206.A N THR 202.A O no hydrogen 2.946 N/A SER 206.A OG TYR 226.A OH no hydrogen 3.032 N/A LYS 207.A N ILE 204.A O no hydrogen 3.089 N/A LYS 208.A NZ THR 173.A OG1 no hydrogen 2.942 N/A ILE 209.A N SER 206.A O no hydrogen 3.168 N/A ASN 210.A N SER 206.A O no hydrogen 3.391 N/A LYS 212.A NZ LYS 179.A O no hydrogen 3.350 N/A GLN 215.A NE2 LYS 212.A O no hydrogen 3.086 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.758 N/A THR 219.A N GLU 216.A O no hydrogen 3.163 N/A THR 219.A OG1 GLN 215.A O no hydrogen 3.363 N/A LYS 225.A N LEU 222.A O no hydrogen 3.015 N/A TYR 226.A N LEU 222.A O no hydrogen 3.247 N/A TYR 226.A OH SER 206.A OG no hydrogen 3.032 N/A TYR 227.A N LYS 223.A O no hydrogen 3.429 N/A ASN 228.A N LEU 224.A O no hydrogen 3.322 N/A LEU 229.A N LYS 225.A O no hydrogen 3.105 N/A MET 230.A N TYR 227.A O no hydrogen 2.792 N/A GLN 235.A N ILE 231.A O no hydrogen 2.399 N/A GLU 237.A N GLU 237.A OE1 no hydrogen 2.606 N/A SER 239.A OG GLU 237.A OE2 no hydrogen 3.185 N/A TYR 240.A N GLY 238.A O no hydrogen 2.762 N/A SER 242.A OG ASP 234.A OD2 no hydrogen 3.147 N/A CYS 244.A N LEU 241.A O no hydrogen 3.206 N/A CYS 244.A SG LEU 241.A O no hydrogen 3.186 N/A HIS 246.A NE2 TYR 227.A O no hydrogen 2.454 N/A TYR 247.A N ILE 243.A O no hydrogen 2.983 N/A TYR 247.A N CYS 244.A O no hydrogen 3.180 N/A ARG 248.A N CYS 244.A O no hydrogen 3.318 N/A ALA 249.A N HIS 246.A O no hydrogen 2.890 N/A ILE 250.A N HIS 246.A O no hydrogen 3.130 N/A TYR 251.A N ARG 248.A O no hydrogen 3.277 N/A CYS 255.A SG GLU 220.A O no hydrogen 3.540 N/A CYS 255.A SG THR 253.A O no hydrogen 3.505 N/A ILE 256.A N THR 253.A O no hydrogen 2.941 N/A ALA 258.A N CYS 255.A O no hydrogen 3.275 N/A GLU 261.A N GLU 261.A OE1 no hydrogen 2.669 N/A TRP 263.A N GLU 259.A O no hydrogen 2.902 N/A LEU 267.A N TRP 263.A O no hydrogen 3.150 N/A LEU 267.A N GLN 264.A O no hydrogen 2.922 N/A LYS 268.A N GLN 264.A O no hydrogen 2.982 N/A LYS 268.A NZ TYR 302.A OH no hydrogen 2.463 N/A SER 269.A N GLN 265.A O no hydrogen 3.263 N/A SER 269.A OG GLN 265.A O no hydrogen 3.399 N/A SER 269.A OG ALA 266.A O no hydrogen 3.364 N/A VAL 271.A N LYS 268.A O no hydrogen 3.305 N/A LEU 272.A N LYS 268.A O no hydrogen 3.160 N/A ALA 277.A N TYR 273.A O no hydrogen 2.756 N/A ASN 281.A N ASP 280.A OD1 no hydrogen 2.773 N/A SER 284.A N ASP 280.A O no hydrogen 3.150 N/A SER 284.A OG ASN 281.A O no hydrogen 2.438 N/A ASP 285.A N ASN 281.A O no hydrogen 3.371 N/A LEU 286.A N GLU 282.A O no hydrogen 3.093 N/A VAL 287.A N GLN 283.A O no hydrogen 3.301 N/A HIS 288.A N ASP 285.A O no hydrogen 3.029 N/A ARG 289.A N ASP 285.A O no hydrogen 2.804 N/A ILE 290.A N LEU 286.A O no hydrogen 3.065 N/A SER 291.A N VAL 287.A O no hydrogen 3.142 N/A LYS 295.A N ASP 293.A OD1 no hydrogen 3.462 N/A TYR 302.A OH GLU 327.A OE2 no hydrogen 3.178 N/A LYS 303.A N ILE 299.A O no hydrogen 3.352 N/A ASP 304.A N LYS 301.A O no hydrogen 2.839 N/A LEU 305.A N LYS 301.A O no hydrogen 3.124 N/A LEU 308.A N ASP 304.A O no hydrogen 2.992 N/A LEU 308.A N LEU 305.A O no hydrogen 3.296 N/A THR 310.A N LEU 306.A O no hydrogen 3.317 N/A THR 310.A OG1 LEU 306.A O no hydrogen 2.954 N/A THR 311.A N LYS 307.A O no hydrogen 3.323 N/A THR 311.A OG1 LYS 307.A O no hydrogen 2.542 N/A THR 311.A OG1 LEU 308.A O no hydrogen 3.141 N/A VAL 321.A N TRP 317.A O no hydrogen 3.226 N/A GLU 322.A N SER 318.A O no hydrogen 3.280 N/A ASP 323.A N LEU 320.A O no hydrogen 2.990 N/A GLY 325.A N VAL 321.A O no hydrogen 2.768 N/A ARG 329.A NH1 ARG 329.A O no hydrogen 3.141 N/A LYS 330.A N GLU 327.A O no hydrogen 3.144 N/A SER 335.A OG GLN 265.A OE1 no hydrogen 2.332 N/A THR 338.A N GLU 334.A O no hydrogen 2.399 N/A THR 338.A OG1 GLU 334.A O no hydrogen 2.629 N/A ASP 339.A N SER 335.A O no hydrogen 2.729 N/A VAL 340.A N PRO 336.A O no hydrogen 2.940 N/A PHE 341.A N ALA 337.A O no hydrogen 2.677 N/A GLY 342.A N THR 338.A O no hydrogen 2.443 N/A GLU 345.A N GLU 345.A OE1 no hydrogen 2.703 N/A GLY 347.A N SER 343.A O no hydrogen 2.662 N/A GLU 348.A N THR 344.A O no hydrogen 2.542 N/A LYS 349.A N GLU 345.A O no hydrogen 3.138 N/A ARG 350.A N GLY 347.A O no hydrogen 2.817 N/A ARG 350.A NH1 ASP 339.A OD2 no hydrogen 2.692 N/A ARG 350.A NH2 ASP 339.A OD2 no hydrogen 2.807 N/A TRP 351.A N GLY 347.A O no hydrogen 2.373 N/A LYS 352.A N GLU 348.A O no hydrogen 3.379 N/A LYS 352.A NZ GLU 348.A OE2 no hydrogen 2.892 N/A LEU 354.A N ARG 350.A O no hydrogen 3.300 N/A LYS 355.A N TRP 351.A O no hydrogen 2.914 N/A ARG 357.A N ASP 353.A O no hydrogen 2.965 N/A ARG 357.A NE LEU 276.A O no hydrogen 3.119 N/A ARG 357.A NE ALA 277.A O no hydrogen 2.617 N/A ARG 357.A NH1 LEU 276.A O no hydrogen 2.655 N/A VAL 359.A N LYS 355.A O no hydrogen 2.944 N/A GLU 360.A N ASN 356.A O no hydrogen 3.212 N/A HIS 361.A N ARG 357.A O no hydrogen 2.962 N/A ARG 364.A N GLU 360.A O no hydrogen 3.088 N/A ARG 364.A NE GLU 360.A O no hydrogen 3.032 N/A MET 366.A N ASN 362.A O no hydrogen 2.785 N/A ALA 367.A N ILE 363.A O no hydrogen 3.387 N/A LYS 368.A N ARG 364.A O no hydrogen 3.193 N/A TYR 369.A N ILE 365.A O no hydrogen 2.848 N/A TYR 370.A N MET 366.A O no hydrogen 3.303 N/A MET 375.A N GLY 411.A O no hydrogen 2.556 N/A ARG 377.A N THR 374.A OG1 no hydrogen 3.376 N/A ARG 377.A NE ARG 377.A O no hydrogen 3.249 N/A ALA 379.A N MET 375.A O no hydrogen 3.363 N/A GLN 380.A N LYS 376.A O no hydrogen 3.272 N/A LEU 381.A N ARG 377.A O no hydrogen 3.369 N/A LEU 382.A N ALA 379.A O no hydrogen 3.367 N/A ASP 383.A N ALA 379.A O no hydrogen 2.958 N/A LEU 384.A N ALA 379.A O no hydrogen 3.511 N/A ASP 387.A N SER 385.A OG no hydrogen 3.264 N/A SER 389.A N SER 385.A O no hydrogen 2.793 N/A SER 389.A OG SER 385.A O no hydrogen 3.069 N/A GLU 390.A N VAL 386.A O no hydrogen 3.262 N/A ALA 391.A N ASP 387.A O no hydrogen 3.109 N/A PHE 392.A N SER 389.A O no hydrogen 3.169 N/A LEU 393.A N SER 389.A O no hydrogen 3.148 N/A SER 394.A N GLU 390.A O no hydrogen 2.970 N/A SER 394.A OG GLU 390.A O no hydrogen 2.520 N/A VAL 398.A N SER 394.A O no hydrogen 3.196 N/A ASN 399.A ND2 ASN 399.A O no hydrogen 2.694 N/A THR 401.A N LEU 396.A O no hydrogen 2.953 N/A LYS 405.A N ASN 414.A O no hydrogen 3.384 N/A LEU 409.A N ASP 407.A OD1 no hydrogen 2.796 N/A ALA 410.A N ASP 407.A OD2 no hydrogen 3.404 N/A ILE 413.A N ILE 373.A O no hydrogen 3.234 N/A PHE 415.A N THR 371.A O no hydrogen 3.151 N/A ARG 417.A NE PHE 415.A O no hydrogen 3.378 N/A ASN 422.A ND2 ASN 422.A O no hydrogen 2.712 N/A ASN 423.A ND2 ASP 420.A OD1 no hydrogen 3.511 N/A ASN 426.A N ASN 422.A O no hydrogen 3.343 N/A ASP 427.A N ASN 423.A O no hydrogen 2.998 N/A TRP 428.A N LEU 424.A O no hydrogen 2.898 N/A SER 429.A N LEU 425.A O no hydrogen 2.930 N/A SER 429.A OG LEU 425.A O no hydrogen 3.243 N/A SER 429.A OG ASN 426.A O no hydrogen 2.525 N/A GLN 430.A N ASN 426.A O no hydrogen 3.115 N/A LYS 431.A N ASP 427.A O no hydrogen 3.216 N/A LEU 432.A N TRP 428.A O no hydrogen 3.229 N/A ASN 433.A N SER 429.A O no hydrogen 3.500 N/A SER 434.A N GLN 430.A O no hydrogen 3.083 N/A SER 434.A OG GLN 430.A O no hydrogen 3.471 N/A SER 434.A OG LYS 431.A O no hydrogen 2.886 N/A LEU 435.A N LYS 431.A O no hydrogen 3.068 N/A MET 436.A N LEU 432.A O no hydrogen 2.657 N/A SER 437.A N ASN 433.A O no hydrogen 2.947 N/A LEU 438.A N LEU 435.A O no hydrogen 3.072 N/A VAL 439.A N LEU 435.A O no hydrogen 3.038 N/A ASN 440.A ND2 ASN 440.A O no hydrogen 2.760 N/A LYS 441.A N LEU 438.A O no hydrogen 3.008 N/A THR 442.A N LEU 438.A O no hydrogen 3.444 N/A THR 443.A OG1 VAL 439.A O no hydrogen 2.798 N/A HIS 444.A ND1 ASN 440.A O no hydrogen 2.637 N/A LEU 445.A N THR 442.A O no hydrogen 2.930 N/A ILE 446.A N THR 442.A O no hydrogen 2.887 N/A GLU 449.A N ILE 446.A O no hydrogen 2.793 N/A GLU 450.A N ILE 446.A O no hydrogen 3.164 N/A MET 451.A N LYS 448.A O no hydrogen 2.973 N/A HIS 453.A ND1 GLU 449.A O no hydrogen 2.998 N/A