Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6msk_W.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 3.A OD1 no hydrogen 3.464 N/A SER 6.A N ALA 2.A O no hydrogen 3.268 N/A GLU 7.A N ASP 3.A O no hydrogen 2.984 N/A ARG 8.A N GLY 4.A O no hydrogen 2.966 N/A ALA 9.A N GLY 5.A O no hydrogen 3.086 N/A ASP 10.A N SER 6.A O no hydrogen 2.771 N/A GLY 11.A N GLU 7.A O no hydrogen 3.142 N/A ARG 12.A N ARG 8.A O no hydrogen 2.954 N/A ARG 12.A NH2 ASP 19.A OD2 no hydrogen 3.038 N/A ILE 13.A N ALA 9.A O no hydrogen 3.271 N/A LYS 15.A N GLY 11.A O no hydrogen 2.972 N/A TYR 20.A N ASP 19.A OD1 no hydrogen 2.717 N/A THR 23.A N TYR 20.A O no hydrogen 3.056 N/A THR 23.A OG1 ASP 19.A OD2 no hydrogen 2.871 N/A THR 23.A OG1 TYR 20.A O no hydrogen 2.401 N/A ASP 25.A N SER 21.A O no hydrogen 3.387 N/A GLN 26.A N THR 23.A O no hydrogen 3.064 N/A ARG 27.A N THR 23.A O no hydrogen 2.822 N/A ARG 27.A NH1 ARG 8.A O no hydrogen 2.668 N/A LEU 28.A N VAL 24.A O no hydrogen 2.951 N/A GLU 30.A N GLU 30.A OE1 no hydrogen 2.779 N/A ALA 32.A N LEU 28.A O no hydrogen 2.960 N/A LYS 33.A N PRO 29.A O no hydrogen 2.805 N/A LEU 34.A N GLU 30.A O no hydrogen 2.940 N/A ALA 35.A N CYS 31.A O no hydrogen 2.966 N/A LYS 36.A N ALA 32.A O no hydrogen 2.524 N/A GLU 37.A N LYS 33.A O no hydrogen 3.108 N/A GLY 38.A N LEU 34.A O no hydrogen 3.387 N/A LEU 47.A N ILE 44.A O no hydrogen 2.926 N/A LEU 48.A N ILE 44.A O no hydrogen 3.042 N/A SER 49.A N GLU 45.A O no hydrogen 2.784 N/A SER 49.A OG GLU 45.A O no hydrogen 3.462 N/A SER 49.A OG THR 46.A O no hydrogen 2.588 N/A LEU 50.A N LEU 47.A O no hydrogen 3.156 N/A LYS 52.A N LEU 48.A O no hydrogen 3.046 N/A LYS 52.A NZ GLN 96.A O no hydrogen 2.711 N/A GLN 53.A N SER 49.A O no hydrogen 2.770 N/A THR 54.A N LEU 50.A O no hydrogen 2.857 N/A THR 54.A OG1 LEU 50.A O no hydrogen 3.102 N/A THR 54.A OG1 GLU 51.A O no hydrogen 3.148 N/A ARG 55.A N GLU 51.A O no hydrogen 2.724 N/A THR 56.A N LYS 52.A O no hydrogen 3.432 N/A THR 56.A OG1 LYS 52.A O no hydrogen 2.815 N/A THR 56.A OG1 GLN 53.A O no hydrogen 2.642 N/A ALA 57.A N GLN 53.A O no hydrogen 2.965 N/A SER 58.A N THR 54.A O no hydrogen 2.949 N/A SER 58.A OG THR 54.A O no hydrogen 3.348 N/A SER 58.A OG ARG 55.A O no hydrogen 2.641 N/A ASP 59.A N ARG 55.A O no hydrogen 2.908 N/A MET 60.A N THR 56.A O no hydrogen 2.701 N/A VAL 61.A N ALA 57.A O no hydrogen 3.178 N/A SER 62.A N SER 58.A O no hydrogen 3.027 N/A SER 62.A OG SER 58.A O no hydrogen 3.178 N/A SER 62.A OG ASP 59.A O no hydrogen 3.236 N/A THR 63.A N ASP 59.A O no hydrogen 3.239 N/A THR 63.A OG1 ASP 59.A O no hydrogen 2.477 N/A SER 64.A OG VAL 61.A O no hydrogen 3.173 N/A VAL 71.A N VAL 68.A O no hydrogen 3.308 N/A MET 73.A N ALA 69.A O no hydrogen 3.074 N/A CYS 74.A N VAL 70.A O no hydrogen 3.053 N/A TYR 75.A N LYS 72.A O no hydrogen 2.988 N/A GLU 76.A N LYS 72.A O no hydrogen 3.388 N/A ALA 77.A N MET 73.A O no hydrogen 3.286 N/A LYS 78.A N CYS 74.A O no hydrogen 3.116 N/A GLU 79.A N TYR 75.A O no hydrogen 2.828 N/A ASP 81.A N LYS 78.A O no hydrogen 3.123 N/A ASN 84.A N ASP 81.A O no hydrogen 2.837 N/A ASN 84.A ND2 ASN 84.A O no hydrogen 2.662 N/A GLU 85.A N LEU 82.A O no hydrogen 3.155 N/A ASN 86.A N LEU 82.A O no hydrogen 3.290 N/A SER 91.A OG GLN 96.A OE1 no hydrogen 3.003 N/A LYS 92.A NZ ASN 86.A OD1 no hydrogen 2.556 N/A LYS 92.A NZ SER 91.A OG no hydrogen 3.361 N/A LYS 92.A NZ GLN 96.A OE1 no hydrogen 2.827 N/A ARG 94.A NE GLU 45.A OE1 no hydrogen 3.055 N/A ARG 94.A NH2 GLU 45.A OE1 no hydrogen 3.456 N/A LYS 98.A NZ ARG 93.A O no hydrogen 3.505 N/A GLN 99.A N GLN 99.A OE1 no hydrogen 2.668 N/A GLN 99.A NE2 SER 95.A O no hydrogen 3.191 N/A VAL 101.A N LYS 98.A O no hydrogen 3.158 N/A ALA 102.A N LYS 98.A O no hydrogen 2.699 N/A LYS 103.A N GLN 99.A O no hydrogen 3.004 N/A VAL 105.A N VAL 101.A O no hydrogen 2.757 N/A GLN 106.A N ALA 102.A O no hydrogen 3.311 N/A GLN 107.A N LYS 103.A O no hydrogen 2.793 N/A CYS 108.A N MET 104.A O no hydrogen 2.741 N/A CYS 108.A SG MET 104.A O no hydrogen 3.295 N/A CYS 109.A N VAL 105.A O no hydrogen 3.137 N/A THR 110.A N GLN 106.A O no hydrogen 3.180 N/A THR 110.A OG1 GLN 107.A O no hydrogen 2.419 N/A THR 110.A OG1 GLN 107.A OE1 no hydrogen 3.293 N/A TYR 111.A N GLN 107.A O no hydrogen 2.768 N/A GLU 114.A N TYR 111.A O no hydrogen 2.838 N/A ILE 115.A N TYR 111.A O no hydrogen 2.458 N/A ASP 117.A N THR 116.A OG1 no hydrogen 2.703 N/A LYS 121.A N ASP 117.A O no hydrogen 3.379 N/A LYS 121.A NZ ASP 117.A O no hydrogen 3.406 N/A LEU 122.A N LEU 118.A O no hydrogen 3.128 N/A ARG 123.A N PRO 119.A O no hydrogen 2.943 N/A ARG 123.A NH1 ARG 123.A O no hydrogen 3.026 N/A LEU 124.A N ILE 120.A O no hydrogen 2.732 N/A ILE 125.A N LYS 121.A O no hydrogen 2.910 N/A THR 127.A N ARG 123.A O no hydrogen 3.196 N/A THR 127.A N LEU 124.A O no hydrogen 3.159 N/A LEU 128.A N LEU 124.A O no hydrogen 2.874 N/A VAL 131.A N THR 127.A O no hydrogen 3.222 N/A THR 132.A N LEU 128.A O no hydrogen 3.191 N/A THR 132.A OG1 LEU 128.A O no hydrogen 3.152 N/A THR 132.A OG1 ARG 129.A O no hydrogen 2.767 N/A GLU 133.A N MET 130.A O no hydrogen 3.148 N/A GLY 134.A N MET 130.A O no hydrogen 3.200 N/A ARG 144.A NH2 VAL 131.A O no hydrogen 2.869 N/A THR 146.A N ARG 142.A O no hydrogen 2.881 N/A LYS 147.A N ARG 144.A O no hydrogen 3.190 N/A THR 148.A N ARG 144.A O no hydrogen 2.702 N/A THR 148.A OG1 GLU 168.A OE1 no hydrogen 2.940 N/A LEU 149.A N LEU 145.A O no hydrogen 3.233 N/A THR 151.A N LYS 147.A O no hydrogen 3.047 N/A THR 151.A OG1 THR 148.A O no hydrogen 2.488 N/A THR 151.A OG1 GLU 161.A OE1 no hydrogen 3.452 N/A ILE 152.A N THR 148.A O no hydrogen 3.385 N/A LYS 153.A N LEU 149.A O no hydrogen 3.258 N/A GLN 155.A N GLN 155.A OE1 no hydrogen 2.689 N/A GLU 161.A N ASP 158.A OD1 no hydrogen 2.913 N/A ALA 162.A N ASP 158.A O no hydrogen 3.321 N/A ALA 163.A N VAL 159.A O no hydrogen 3.108 N/A SER 164.A N LYS 160.A O no hydrogen 2.651 N/A SER 164.A OG LYS 160.A O no hydrogen 2.811 N/A ILE 165.A N GLU 161.A O no hydrogen 3.104 N/A LEU 166.A N ALA 162.A O no hydrogen 3.082 N/A GLN 167.A N ALA 163.A O no hydrogen 3.364 N/A GLN 167.A NE2 SER 164.A O no hydrogen 3.574 N/A GLU 168.A N ILE 165.A O no hydrogen 3.047 N/A THR 173.A OG1 GLN 170.A O no hydrogen 2.680 N/A TYR 174.A N GLN 170.A O no hydrogen 2.767 N/A SER 176.A N GLU 172.A O no hydrogen 2.724 N/A SER 176.A OG GLY 175.A O no hydrogen 2.086 N/A ARG 182.A N GLU 178.A O no hydrogen 3.115 N/A ARG 182.A NH1 LEU 169.A O no hydrogen 2.320 N/A ARG 182.A NH2 LEU 169.A O no hydrogen 3.204 N/A GLU 184.A N LYS 180.A O no hydrogen 2.789 N/A PHE 185.A N GLU 181.A O no hydrogen 2.794 N/A ILE 186.A N ARG 182.A O no hydrogen 2.879 N/A LEU 187.A N VAL 183.A O no hydrogen 3.053 N/A GLU 188.A N PHE 185.A O no hydrogen 3.143 N/A GLN 189.A N GLN 189.A OE1 no hydrogen 2.669 N/A GLN 189.A NE2 ILE 186.A O no hydrogen 2.739 N/A MET 190.A N LEU 187.A O no hydrogen 3.422 N/A CYS 193.A N GLN 189.A O no hydrogen 3.038 N/A CYS 193.A SG GLN 189.A O no hydrogen 3.347 N/A LEU 194.A N MET 190.A O no hydrogen 2.831 N/A ALA 195.A N ARG 191.A O no hydrogen 3.046 N/A VAL 196.A N LEU 192.A O no hydrogen 3.019 N/A LYS 197.A N LEU 194.A O no hydrogen 3.016 N/A ASP 198.A N CYS 193.A O no hydrogen 2.599 N/A ARG 201.A N ASP 198.A OD1 no hydrogen 3.502 N/A THR 202.A OG1 ASP 198.A O no hydrogen 2.308 N/A GLN 203.A N TYR 199.A O no hydrogen 3.402 N/A ILE 205.A N ARG 201.A O no hydrogen 3.257 N/A LYS 207.A N GLN 203.A O no hydrogen 3.220 N/A LYS 207.A N ILE 204.A O no hydrogen 3.305 N/A ILE 209.A N SER 206.A O no hydrogen 3.244 N/A LYS 212.A N ILE 209.A O no hydrogen 2.969 N/A GLN 215.A NE2 LYS 212.A O no hydrogen 3.170 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.819 N/A THR 219.A OG1 GLN 215.A O no hydrogen 2.638 N/A LYS 221.A NZ GLU 220.A OE2 no hydrogen 2.798 N/A LYS 223.A NZ TYR 227.A OH no hydrogen 2.904 N/A ASN 228.A ND2 LYS 225.A O no hydrogen 3.317 N/A LEU 229.A N TYR 226.A O no hydrogen 2.874 N/A MET 230.A N TYR 227.A O no hydrogen 2.956 N/A ILE 231.A N TYR 227.A O no hydrogen 3.193 N/A LEU 233.A N LEU 229.A O no hydrogen 3.346 N/A ASP 234.A N MET 230.A O no hydrogen 3.316 N/A HIS 236.A N LEU 233.A O no hydrogen 3.467 N/A CYS 244.A N TYR 240.A O no hydrogen 3.287 N/A CYS 244.A SG TYR 240.A O no hydrogen 3.286 N/A CYS 244.A SG TYR 273.A O no hydrogen 3.237 N/A LYS 245.A N LEU 241.A O no hydrogen 3.077 N/A HIS 246.A N SER 242.A O no hydrogen 2.937 N/A TYR 247.A N ILE 243.A O no hydrogen 3.332 N/A TYR 247.A OH TYR 273.A OH no hydrogen 2.928 N/A ARG 248.A N CYS 244.A O no hydrogen 3.410 N/A ALA 249.A N HIS 246.A O no hydrogen 2.980 N/A ILE 250.A N HIS 246.A O no hydrogen 3.004 N/A CYS 255.A N ASP 252.A O no hydrogen 2.846 N/A ILE 256.A N ASP 252.A O no hydrogen 2.939 N/A GLN 257.A N THR 253.A O no hydrogen 2.446 N/A GLN 257.A NE2 GLU 220.A O no hydrogen 2.418 N/A SER 260.A OG SER 260.A O no hydrogen 2.539 N/A GLN 265.A N GLU 261.A O no hydrogen 3.232 N/A LEU 267.A N TRP 263.A O no hydrogen 3.209 N/A LYS 268.A N GLN 264.A O no hydrogen 2.919 N/A SER 269.A N GLN 265.A O no hydrogen 2.822 N/A SER 269.A OG GLN 265.A O no hydrogen 3.166 N/A SER 269.A OG ALA 266.A O no hydrogen 3.253 N/A VAL 270.A N ALA 266.A O no hydrogen 3.220 N/A VAL 271.A N LEU 267.A O no hydrogen 3.293 N/A TYR 273.A OH TYR 247.A OH no hydrogen 2.928 N/A ALA 277.A N VAL 274.A O no hydrogen 3.401 N/A ASN 281.A N ASP 280.A OD1 no hydrogen 2.734 N/A GLN 283.A NE2 ILE 275.A O no hydrogen 3.393 N/A SER 284.A N ASP 280.A O no hydrogen 3.192 N/A SER 284.A OG ASP 280.A O no hydrogen 3.554 N/A SER 284.A OG ASN 281.A O no hydrogen 2.732 N/A ASP 285.A N ASN 281.A O no hydrogen 3.199 N/A LEU 286.A N GLU 282.A O no hydrogen 3.351 N/A VAL 287.A N GLN 283.A O no hydrogen 3.198 N/A ARG 289.A N LEU 286.A O no hydrogen 3.116 N/A ILE 290.A N LEU 286.A O no hydrogen 2.906 N/A SER 291.A N VAL 287.A O no hydrogen 3.118 N/A GLU 297.A N GLU 297.A OE1 no hydrogen 2.705 N/A GLU 298.A N LYS 295.A O no hydrogen 3.431 N/A ILE 299.A N LEU 296.A O no hydrogen 3.334 N/A TYR 302.A N ILE 299.A O no hydrogen 3.131 N/A LYS 303.A N PRO 300.A O no hydrogen 3.219 N/A LEU 305.A N LYS 301.A O no hydrogen 3.256 N/A LEU 306.A N TYR 302.A O no hydrogen 3.192 N/A LYS 307.A N LYS 303.A O no hydrogen 2.723 N/A LEU 308.A N ASP 304.A O no hydrogen 2.976 N/A PHE 309.A N LEU 306.A O no hydrogen 3.253 N/A THR 311.A OG1 THR 310.A O no hydrogen 2.700 N/A ARG 316.A NH1 GLN 380.A O no hydrogen 2.701 N/A ARG 316.A NH1 ASP 383.A OD1 no hydrogen 3.055 N/A TRP 317.A N ASP 383.A OD2 no hydrogen 3.229 N/A THR 319.A OG1 ARG 316.A O no hydrogen 2.393 N/A LEU 320.A N ARG 316.A O no hydrogen 3.093 N/A VAL 321.A N TRP 317.A O no hydrogen 2.966 N/A GLU 322.A N SER 318.A O no hydrogen 3.089 N/A ASP 323.A N THR 319.A O no hydrogen 2.940 N/A TYR 324.A N VAL 321.A O no hydrogen 3.009 N/A TYR 324.A OH ASP 304.A OD2 no hydrogen 2.562 N/A ARG 329.A N MET 326.A O no hydrogen 2.911 N/A LYS 330.A N MET 326.A O no hydrogen 3.045 N/A SER 335.A OG GLN 265.A OE1 no hydrogen 2.996 N/A THR 338.A N GLU 334.A O no hydrogen 3.478 N/A THR 338.A OG1 GLU 327.A O no hydrogen 3.250 N/A THR 338.A OG1 GLU 334.A O no hydrogen 3.569 N/A ASP 339.A N SER 335.A O no hydrogen 2.961 N/A VAL 340.A N PRO 336.A O no hydrogen 2.610 N/A PHE 341.A N ALA 337.A O no hydrogen 3.011 N/A GLY 342.A N ALA 337.A O no hydrogen 2.891 N/A SER 343.A OG THR 338.A O no hydrogen 3.433 N/A SER 343.A OG ASP 339.A O no hydrogen 3.059 N/A THR 344.A OG1 GLU 345.A OE1 no hydrogen 2.301 N/A GLU 345.A N GLU 345.A OE1 no hydrogen 2.732 N/A LYS 349.A N GLU 345.A O no hydrogen 3.458 N/A ARG 350.A N GLU 346.A O no hydrogen 3.321 N/A TRP 351.A N GLY 347.A O no hydrogen 2.432 N/A LYS 352.A N GLU 348.A O no hydrogen 3.005 N/A ASP 353.A N LYS 349.A O no hydrogen 3.053 N/A LEU 354.A N ARG 350.A O no hydrogen 2.945 N/A LYS 355.A N TRP 351.A O no hydrogen 3.096 N/A ASN 356.A N LYS 352.A O no hydrogen 2.855 N/A ARG 357.A N ASP 353.A O no hydrogen 2.692 N/A ARG 357.A NE LEU 276.A O no hydrogen 2.790 N/A ARG 357.A NH1 LEU 276.A O no hydrogen 2.822 N/A VAL 358.A N LEU 354.A O no hydrogen 3.177 N/A VAL 359.A N LYS 355.A O no hydrogen 3.299 N/A GLU 360.A N ASN 356.A O no hydrogen 3.095 N/A HIS 361.A N ARG 357.A O no hydrogen 2.997 N/A ASN 362.A N VAL 358.A O no hydrogen 3.095 N/A ASN 362.A N VAL 359.A O no hydrogen 3.169 N/A ILE 363.A N VAL 359.A O no hydrogen 3.184 N/A ARG 364.A NE GLU 360.A O no hydrogen 3.548 N/A ALA 367.A N ILE 363.A O no hydrogen 3.076 N/A LYS 368.A N ARG 364.A O no hydrogen 3.116 N/A TYR 369.A N ILE 365.A O no hydrogen 3.327 N/A ILE 373.A N ILE 413.A O no hydrogen 3.259 N/A ALA 379.A N MET 375.A O no hydrogen 3.263 N/A GLN 380.A N LYS 376.A O no hydrogen 3.239 N/A LEU 381.A N ARG 377.A O no hydrogen 2.947 N/A LEU 382.A N ALA 379.A O no hydrogen 3.440 N/A LEU 384.A N ALA 379.A O no hydrogen 3.262 N/A ASP 387.A N SER 385.A OG no hydrogen 3.315 N/A SER 389.A N SER 385.A O no hydrogen 3.121 N/A SER 389.A OG SER 385.A O no hydrogen 2.766 N/A GLU 390.A N VAL 386.A O no hydrogen 2.992 N/A ALA 391.A N ASP 387.A O no hydrogen 3.025 N/A PHE 392.A N GLU 388.A O no hydrogen 3.079 N/A LEU 393.A N SER 389.A O no hydrogen 3.051 N/A SER 394.A N GLU 390.A O no hydrogen 3.106 N/A SER 394.A OG GLU 390.A O no hydrogen 2.531 N/A ASN 395.A N ALA 391.A O no hydrogen 3.360 N/A VAL 397.A N LEU 393.A O no hydrogen 3.395 N/A VAL 397.A N SER 394.A O no hydrogen 3.244 N/A VAL 398.A N SER 394.A O no hydrogen 3.115 N/A LYS 400.A N VAL 397.A O no hydrogen 3.082 N/A THR 401.A N LEU 396.A O no hydrogen 3.309 N/A ILE 413.A N ILE 373.A O no hydrogen 3.257 N/A PHE 415.A N THR 371.A O no hydrogen 2.945 N/A LEU 425.A N PRO 421.A O no hydrogen 3.321 N/A ASN 426.A N ASN 422.A O no hydrogen 2.483 N/A ASP 427.A N ASN 423.A O no hydrogen 3.107 N/A ASP 427.A N LEU 424.A O no hydrogen 3.221 N/A SER 429.A OG ASN 426.A O no hydrogen 3.100 N/A LYS 431.A N ASP 427.A O no hydrogen 3.009 N/A LEU 432.A N TRP 428.A O no hydrogen 3.089 N/A ASN 433.A N SER 429.A O no hydrogen 2.826 N/A SER 434.A N GLN 430.A O no hydrogen 3.128 N/A LEU 435.A N LYS 431.A O no hydrogen 2.977 N/A MET 436.A N LEU 432.A O no hydrogen 2.953 N/A SER 437.A N ASN 433.A O no hydrogen 3.147 N/A LEU 438.A N SER 434.A O no hydrogen 3.242 N/A VAL 439.A N LEU 435.A O no hydrogen 3.288 N/A LYS 441.A N SER 437.A O no hydrogen 3.185 N/A THR 442.A N LEU 438.A O no hydrogen 2.789 N/A THR 442.A OG1 LEU 438.A O no hydrogen 2.397 N/A THR 443.A N VAL 439.A O no hydrogen 2.827 N/A THR 443.A OG1 VAL 439.A O no hydrogen 2.718 N/A HIS 444.A N ASN 440.A O no hydrogen 3.034 N/A LEU 445.A N LYS 441.A O no hydrogen 3.259 N/A LEU 445.A N THR 442.A O no hydrogen 3.016 N/A ILE 446.A N THR 442.A O no hydrogen 2.946 N/A ALA 447.A N THR 443.A O no hydrogen 3.061 N/A GLU 449.A N LEU 445.A O no hydrogen 3.228 N/A GLU 450.A N ILE 446.A O no hydrogen 3.081 N/A MET 451.A N ALA 447.A O no hydrogen 3.096 N/A ILE 452.A N LYS 448.A O no hydrogen 2.860 N/A HIS 453.A N GLU 449.A O no hydrogen 3.409 N/A ASN 454.A N GLU 450.A O no hydrogen 3.231 N/A GLN 456.A N HIS 453.A O no hydrogen 2.946 N/A