Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6msb_W.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 3.A OD1 no hydrogen 3.289 N/A SER 6.A N ALA 2.A O no hydrogen 3.372 N/A GLU 7.A N ASP 3.A O no hydrogen 2.540 N/A ARG 8.A N GLY 4.A O no hydrogen 3.214 N/A ARG 8.A NH2 GLY 4.A O no hydrogen 2.863 N/A ALA 9.A N GLY 5.A O no hydrogen 3.079 N/A GLY 11.A N GLU 7.A O no hydrogen 3.245 N/A ARG 12.A N ALA 9.A O no hydrogen 3.140 N/A ARG 12.A NH2 GLY 11.A O no hydrogen 3.019 N/A ILE 13.A N ALA 9.A O no hydrogen 2.757 N/A THR 23.A N TYR 20.A O no hydrogen 3.459 N/A THR 23.A OG1 TYR 20.A O no hydrogen 3.283 N/A ASP 25.A N SER 21.A O no hydrogen 3.098 N/A GLN 26.A N ALA 22.A O no hydrogen 2.672 N/A ARG 27.A N VAL 24.A O no hydrogen 3.111 N/A GLU 30.A N GLU 30.A OE1 no hydrogen 2.859 N/A CYS 31.A N ARG 27.A O no hydrogen 3.290 N/A CYS 31.A SG ARG 27.A O no hydrogen 3.228 N/A CYS 31.A SG GLU 51.A OE2 no hydrogen 3.229 N/A ALA 32.A N LEU 28.A O no hydrogen 2.595 N/A LYS 33.A N PRO 29.A O no hydrogen 2.663 N/A ALA 35.A N CYS 31.A O no hydrogen 2.737 N/A LYS 36.A N ALA 32.A O no hydrogen 2.946 N/A LYS 36.A N LYS 33.A O no hydrogen 3.165 N/A GLU 37.A N LYS 33.A O no hydrogen 3.273 N/A GLY 38.A N LEU 34.A O no hydrogen 3.366 N/A THR 46.A N GLU 42.A O no hydrogen 2.828 N/A THR 46.A OG1 GLU 42.A O no hydrogen 2.897 N/A THR 46.A OG1 VAL 43.A O no hydrogen 2.711 N/A LEU 47.A N VAL 43.A O no hydrogen 2.431 N/A LEU 48.A N ILE 44.A O no hydrogen 2.878 N/A SER 49.A N GLU 45.A O no hydrogen 2.829 N/A SER 49.A OG THR 46.A O no hydrogen 2.549 N/A LEU 50.A N LEU 47.A O no hydrogen 2.761 N/A LYS 52.A N LEU 48.A O no hydrogen 3.426 N/A GLN 53.A N LEU 50.A O no hydrogen 2.994 N/A THR 54.A N LEU 50.A O no hydrogen 2.770 N/A THR 54.A OG1 LEU 50.A O no hydrogen 3.101 N/A THR 54.A OG1 GLU 51.A O no hydrogen 3.280 N/A ARG 55.A N GLU 51.A O no hydrogen 3.185 N/A THR 56.A OG1 LYS 52.A O no hydrogen 3.549 N/A THR 56.A OG1 GLN 53.A O no hydrogen 2.343 N/A ALA 57.A N GLN 53.A O no hydrogen 2.870 N/A SER 58.A N THR 54.A O no hydrogen 2.824 N/A SER 58.A OG ARG 55.A O no hydrogen 2.616 N/A ASP 59.A N ARG 55.A O no hydrogen 2.783 N/A MET 60.A N THR 56.A O no hydrogen 2.890 N/A VAL 61.A N ALA 57.A O no hydrogen 3.081 N/A SER 62.A N SER 58.A O no hydrogen 2.594 N/A SER 62.A OG SER 58.A O no hydrogen 2.970 N/A THR 63.A N ASP 59.A O no hydrogen 2.897 N/A THR 63.A OG1 ASP 59.A O no hydrogen 2.265 N/A THR 63.A OG1 TYR 111.A OH no hydrogen 2.287 N/A SER 64.A OG MET 60.A O no hydrogen 2.999 N/A SER 64.A OG VAL 61.A O no hydrogen 2.591 N/A ARG 65.A N VAL 61.A O no hydrogen 3.467 N/A VAL 68.A N ILE 66.A O no hydrogen 2.982 N/A LYS 72.A NZ PRO 119.A O no hydrogen 3.114 N/A TYR 75.A N LYS 72.A O no hydrogen 2.812 N/A GLU 76.A N LYS 72.A O no hydrogen 3.378 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 3.010 N/A LYS 78.A NZ ASP 25.A OD1 no hydrogen 2.912 N/A GLU 79.A N TYR 75.A O no hydrogen 2.710 N/A TRP 80.A N GLU 76.A O no hydrogen 3.087 N/A ASP 81.A N ALA 77.A O no hydrogen 3.124 N/A LEU 82.A N LYS 78.A O no hydrogen 3.071 N/A LEU 83.A N GLU 79.A O no hydrogen 3.356 N/A ASN 84.A N ASP 81.A O no hydrogen 3.191 N/A GLU 85.A N ASP 81.A O no hydrogen 2.977 N/A ASN 86.A N LEU 82.A O no hydrogen 2.923 N/A ASN 86.A ND2 ALA 32.A O no hydrogen 2.700 N/A SER 91.A N MET 88.A O no hydrogen 3.006 N/A LYS 92.A N LEU 90.A O no hydrogen 2.757 N/A ARG 93.A N LEU 90.A O no hydrogen 3.420 N/A ARG 94.A NH2 GLN 41.A O no hydrogen 2.656 N/A GLN 96.A N ARG 93.A O no hydrogen 3.465 N/A ALA 100.A N LEU 97.A O no hydrogen 3.048 N/A VAL 101.A N LEU 97.A O no hydrogen 2.988 N/A LYS 103.A NZ LYS 52.A O no hydrogen 3.517 N/A LYS 103.A NZ GLN 99.A O no hydrogen 2.929 N/A MET 104.A N ALA 100.A O no hydrogen 3.278 N/A VAL 105.A N VAL 101.A O no hydrogen 3.183 N/A GLN 106.A N ALA 102.A O no hydrogen 2.802 N/A GLN 107.A N LYS 103.A O no hydrogen 3.113 N/A CYS 108.A N MET 104.A O no hydrogen 3.257 N/A CYS 108.A SG MET 104.A O no hydrogen 3.316 N/A CYS 109.A N VAL 105.A O no hydrogen 2.948 N/A THR 110.A N GLN 107.A O no hydrogen 2.789 N/A THR 110.A OG1 GLN 107.A O no hydrogen 2.347 N/A TYR 111.A N GLN 107.A O no hydrogen 2.957 N/A VAL 112.A N CYS 108.A O no hydrogen 2.989 N/A GLU 114.A N TYR 111.A O no hydrogen 3.139 N/A ILE 115.A N TYR 111.A O no hydrogen 2.709 N/A LYS 121.A NZ ASP 117.A O no hydrogen 3.141 N/A ARG 123.A N PRO 119.A O no hydrogen 2.672 N/A ARG 123.A NH1 ARG 123.A O no hydrogen 3.545 N/A ARG 123.A NH2 MET 104.A O no hydrogen 3.232 N/A LEU 124.A N ILE 120.A O no hydrogen 2.739 N/A ILE 125.A N LYS 121.A O no hydrogen 3.157 N/A ASP 126.A N LEU 122.A O no hydrogen 3.108 N/A THR 127.A N LEU 124.A O no hydrogen 2.955 N/A LEU 128.A N LEU 124.A O no hydrogen 2.868 N/A THR 132.A OG1 ARG 129.A O no hydrogen 3.533 N/A VAL 138.A N ILE 136.A O no hydrogen 2.557 N/A ARG 142.A NH2 SER 176.A O no hydrogen 2.524 N/A ALA 143.A N ILE 140.A O no hydrogen 3.004 N/A LEU 145.A N GLU 141.A O no hydrogen 2.971 N/A THR 148.A N ARG 144.A O no hydrogen 2.990 N/A THR 148.A OG1 GLU 168.A OE1 no hydrogen 3.235 N/A LEU 149.A N LEU 145.A O no hydrogen 2.720 N/A THR 151.A OG1 THR 148.A O no hydrogen 2.749 N/A ILE 152.A N LEU 149.A O no hydrogen 3.048 N/A LYS 153.A N LEU 149.A O no hydrogen 3.247 N/A GLN 155.A N GLN 155.A OE1 no hydrogen 2.696 N/A GLN 155.A NE2 THR 151.A O no hydrogen 3.210 N/A GLY 157.A N ILE 152.A O no hydrogen 2.698 N/A GLU 161.A N ASP 158.A OD1 no hydrogen 2.875 N/A SER 164.A N GLU 161.A O no hydrogen 3.126 N/A SER 164.A OG LYS 160.A O no hydrogen 3.204 N/A SER 164.A OG GLU 161.A OE1 no hydrogen 3.312 N/A GLU 168.A N ILE 165.A O no hydrogen 3.162 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.786 N/A THR 173.A OG1 GLN 170.A O no hydrogen 2.574 N/A TYR 174.A N VAL 171.A O no hydrogen 3.104 N/A SER 176.A OG GLU 139.A O no hydrogen 3.501 N/A SER 176.A OG GLU 139.A OE1 no hydrogen 3.351 N/A LYS 180.A N GLU 178.A OE2 no hydrogen 2.761 N/A GLU 181.A N GLU 178.A OE2 no hydrogen 2.615 N/A ARG 182.A N GLU 178.A OE1 no hydrogen 2.672 N/A GLU 184.A N LYS 180.A O no hydrogen 2.929 N/A PHE 185.A N GLU 181.A O no hydrogen 3.286 N/A ILE 186.A N ARG 182.A O no hydrogen 3.308 N/A LEU 187.A N VAL 183.A O no hydrogen 2.941 N/A GLU 188.A N PHE 185.A O no hydrogen 3.174 N/A GLN 189.A N GLN 189.A OE1 no hydrogen 2.632 N/A ARG 191.A N GLU 188.A O no hydrogen 2.900 N/A CYS 193.A N GLN 189.A O no hydrogen 2.948 N/A CYS 193.A SG GLN 189.A O no hydrogen 3.270 N/A LEU 194.A N MET 190.A O no hydrogen 2.901 N/A ALA 195.A N ARG 191.A O no hydrogen 3.209 N/A VAL 196.A N LEU 192.A O no hydrogen 2.773 N/A LYS 197.A N LEU 194.A O no hydrogen 2.930 N/A LYS 197.A NZ TYR 199.A OH no hydrogen 2.869 N/A ASP 198.A N CYS 193.A O no hydrogen 2.869 N/A THR 202.A OG1 ASP 198.A O no hydrogen 2.483 N/A GLN 203.A N TYR 199.A O no hydrogen 3.180 N/A ILE 205.A N ARG 201.A O no hydrogen 3.342 N/A SER 206.A N THR 202.A O no hydrogen 2.770 N/A LYS 207.A N ILE 204.A O no hydrogen 3.190 N/A LYS 208.A NZ THR 173.A OG1 no hydrogen 2.837 N/A ILE 209.A N SER 206.A O no hydrogen 3.338 N/A LYS 212.A NZ LYS 179.A O no hydrogen 3.108 N/A GLN 215.A NE2 LYS 212.A O no hydrogen 3.281 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.753 N/A LYS 225.A N LEU 222.A O no hydrogen 2.979 N/A TYR 226.A N LEU 222.A O no hydrogen 3.174 N/A ASN 228.A N LEU 224.A O no hydrogen 3.332 N/A LEU 229.A N LYS 225.A O no hydrogen 3.232 N/A MET 230.A N TYR 227.A O no hydrogen 2.805 N/A GLN 235.A N ILE 231.A O no hydrogen 2.390 N/A GLU 237.A N GLU 237.A OE1 no hydrogen 2.561 N/A SER 239.A OG GLU 237.A OE2 no hydrogen 3.561 N/A TYR 240.A N GLY 238.A O no hydrogen 2.628 N/A SER 242.A OG ASP 234.A OD2 no hydrogen 3.366 N/A CYS 244.A N LEU 241.A O no hydrogen 3.280 N/A CYS 244.A SG LEU 241.A O no hydrogen 3.227 N/A HIS 246.A NE2 TYR 227.A O no hydrogen 2.633 N/A TYR 247.A N ILE 243.A O no hydrogen 3.141 N/A TYR 247.A N CYS 244.A O no hydrogen 3.276 N/A ARG 248.A N CYS 244.A O no hydrogen 3.462 N/A ALA 249.A N LYS 245.A O no hydrogen 3.254 N/A ALA 249.A N HIS 246.A O no hydrogen 2.963 N/A ILE 250.A N HIS 246.A O no hydrogen 3.164 N/A TYR 251.A N ARG 248.A O no hydrogen 3.157 N/A CYS 255.A SG GLU 220.A O no hydrogen 3.608 N/A CYS 255.A SG THR 253.A O no hydrogen 3.353 N/A ILE 256.A N THR 253.A O no hydrogen 2.987 N/A ALA 258.A N CYS 255.A O no hydrogen 3.269 N/A GLU 261.A N GLU 261.A OE1 no hydrogen 2.671 N/A TRP 263.A N GLU 259.A O no hydrogen 2.550 N/A GLN 264.A N GLU 261.A O no hydrogen 3.177 N/A ALA 266.A N LYS 262.A O no hydrogen 3.324 N/A LEU 267.A N TRP 263.A O no hydrogen 3.145 N/A LYS 268.A N GLN 264.A O no hydrogen 2.965 N/A SER 269.A N GLN 265.A O no hydrogen 3.154 N/A SER 269.A OG GLN 265.A O no hydrogen 3.380 N/A SER 269.A OG ALA 266.A O no hydrogen 2.959 N/A VAL 271.A N LYS 268.A O no hydrogen 3.352 N/A LEU 272.A N LYS 268.A O no hydrogen 3.230 N/A ALA 277.A N TYR 273.A O no hydrogen 2.792 N/A ASN 281.A N ASP 280.A OD1 no hydrogen 2.744 N/A GLN 283.A NE2 ILE 275.A O no hydrogen 3.684 N/A SER 284.A N ASP 280.A O no hydrogen 3.147 N/A SER 284.A OG ASN 281.A O no hydrogen 2.473 N/A ASP 285.A N ASN 281.A O no hydrogen 3.319 N/A LEU 286.A N GLU 282.A O no hydrogen 3.052 N/A VAL 287.A N GLN 283.A O no hydrogen 3.309 N/A HIS 288.A N ASP 285.A O no hydrogen 3.021 N/A ARG 289.A N ASP 285.A O no hydrogen 2.790 N/A ILE 290.A N LEU 286.A O no hydrogen 3.017 N/A SER 291.A N VAL 287.A O no hydrogen 3.323 N/A GLY 292.A N SER 291.A OG no hydrogen 2.615 N/A TYR 302.A OH GLU 327.A OE2 no hydrogen 3.151 N/A LYS 303.A N ILE 299.A O no hydrogen 3.391 N/A ASP 304.A N LYS 301.A O no hydrogen 2.845 N/A LEU 305.A N LYS 301.A O no hydrogen 3.194 N/A LYS 307.A N LYS 303.A O no hydrogen 3.323 N/A LEU 308.A N ASP 304.A O no hydrogen 3.089 N/A LEU 308.A N LEU 305.A O no hydrogen 3.159 N/A THR 310.A N LEU 306.A O no hydrogen 3.341 N/A THR 310.A OG1 LEU 306.A O no hydrogen 2.964 N/A THR 311.A N LYS 307.A O no hydrogen 3.277 N/A THR 311.A OG1 LYS 307.A O no hydrogen 2.516 N/A THR 311.A OG1 LEU 308.A O no hydrogen 3.285 N/A ARG 316.A N THR 319.A OG1 no hydrogen 3.169 N/A LEU 320.A N TRP 317.A O no hydrogen 3.350 N/A VAL 321.A N TRP 317.A O no hydrogen 3.018 N/A ASP 323.A N LEU 320.A O no hydrogen 3.103 N/A TYR 324.A N LEU 320.A O no hydrogen 2.976 N/A GLY 325.A N VAL 321.A O no hydrogen 2.895 N/A ARG 329.A NH1 ARG 329.A O no hydrogen 3.071 N/A LYS 330.A N GLU 327.A O no hydrogen 2.993 N/A SER 335.A OG GLN 265.A OE1 no hydrogen 2.367 N/A THR 338.A N GLU 334.A O no hydrogen 2.394 N/A THR 338.A OG1 GLU 334.A O no hydrogen 2.601 N/A ASP 339.A N SER 335.A O no hydrogen 2.756 N/A VAL 340.A N PRO 336.A O no hydrogen 2.955 N/A PHE 341.A N ALA 337.A O no hydrogen 2.880 N/A GLY 342.A N THR 338.A O no hydrogen 2.384 N/A GLU 345.A N GLU 345.A OE1 no hydrogen 2.659 N/A GLY 347.A N SER 343.A O no hydrogen 2.661 N/A GLU 348.A N THR 344.A O no hydrogen 2.597 N/A LYS 349.A N GLU 345.A O no hydrogen 3.111 N/A ARG 350.A N GLU 346.A O no hydrogen 2.913 N/A ARG 350.A NH1 ASP 339.A OD2 no hydrogen 2.798 N/A ARG 350.A NH2 ASP 339.A OD2 no hydrogen 2.790 N/A TRP 351.A N GLY 347.A O no hydrogen 2.356 N/A LYS 352.A N GLU 348.A O no hydrogen 3.303 N/A LYS 352.A NZ GLU 348.A OE2 no hydrogen 2.700 N/A ASP 353.A N LYS 349.A O no hydrogen 3.396 N/A LEU 354.A N ARG 350.A O no hydrogen 3.444 N/A LYS 355.A N TRP 351.A O no hydrogen 2.827 N/A ASN 356.A N LYS 352.A O no hydrogen 2.579 N/A ARG 357.A N ASP 353.A O no hydrogen 2.955 N/A ARG 357.A NE LEU 276.A O no hydrogen 3.288 N/A ARG 357.A NE ALA 277.A O no hydrogen 2.694 N/A ARG 357.A NH1 LEU 276.A O no hydrogen 2.829 N/A VAL 359.A N LYS 355.A O no hydrogen 2.992 N/A GLU 360.A N ASN 356.A O no hydrogen 3.261 N/A HIS 361.A N ARG 357.A O no hydrogen 3.084 N/A ARG 364.A N GLU 360.A O no hydrogen 3.018 N/A ARG 364.A NE GLU 360.A O no hydrogen 3.106 N/A MET 366.A N ASN 362.A O no hydrogen 2.678 N/A ALA 367.A N ILE 363.A O no hydrogen 3.414 N/A LYS 368.A N ARG 364.A O no hydrogen 3.078 N/A TYR 369.A N ILE 365.A O no hydrogen 2.940 N/A ILE 373.A N ILE 413.A O no hydrogen 3.146 N/A MET 375.A N GLY 411.A O no hydrogen 2.533 N/A ARG 377.A NE ARG 377.A O no hydrogen 3.231 N/A ALA 379.A N MET 375.A O no hydrogen 3.323 N/A GLN 380.A N LYS 376.A O no hydrogen 3.328 N/A LEU 381.A N ARG 377.A O no hydrogen 3.256 N/A LEU 382.A N ALA 379.A O no hydrogen 3.447 N/A ASP 383.A N ALA 379.A O no hydrogen 3.129 N/A ASP 387.A N SER 385.A OG no hydrogen 3.157 N/A SER 389.A N SER 385.A O no hydrogen 2.881 N/A SER 389.A OG SER 385.A O no hydrogen 2.792 N/A GLU 390.A N VAL 386.A O no hydrogen 3.180 N/A ALA 391.A N ASP 387.A O no hydrogen 3.113 N/A PHE 392.A N GLU 388.A O no hydrogen 3.305 N/A PHE 392.A N SER 389.A O no hydrogen 3.253 N/A LEU 393.A N SER 389.A O no hydrogen 3.348 N/A SER 394.A N GLU 390.A O no hydrogen 3.121 N/A SER 394.A OG GLU 390.A O no hydrogen 2.656 N/A VAL 398.A N SER 394.A O no hydrogen 3.264 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 3.194 N/A LYS 405.A N ASN 414.A O no hydrogen 3.493 N/A LEU 409.A N ASP 407.A OD1 no hydrogen 2.890 N/A ALA 410.A N ASP 407.A OD2 no hydrogen 3.508 N/A ILE 413.A N ILE 373.A O no hydrogen 3.119 N/A PHE 415.A N THR 371.A O no hydrogen 3.178 N/A ARG 417.A NE PHE 415.A O no hydrogen 3.405 N/A ARG 417.A NE GLN 416.A O no hydrogen 2.673 N/A ASN 422.A ND2 ASN 422.A O no hydrogen 2.725 N/A ASN 423.A ND2 ASP 420.A OD1 no hydrogen 3.319 N/A ASN 426.A N ASN 422.A O no hydrogen 3.220 N/A ASP 427.A N ASN 423.A O no hydrogen 3.076 N/A TRP 428.A N LEU 424.A O no hydrogen 2.960 N/A SER 429.A N LEU 425.A O no hydrogen 2.853 N/A SER 429.A OG LEU 425.A O no hydrogen 3.266 N/A SER 429.A OG ASN 426.A O no hydrogen 2.575 N/A GLN 430.A N ASN 426.A O no hydrogen 3.176 N/A LYS 431.A N ASP 427.A O no hydrogen 3.254 N/A LEU 432.A N TRP 428.A O no hydrogen 3.249 N/A ASN 433.A N SER 429.A O no hydrogen 3.485 N/A SER 434.A N GLN 430.A O no hydrogen 3.040 N/A SER 434.A OG GLN 430.A O no hydrogen 3.492 N/A SER 434.A OG LYS 431.A O no hydrogen 2.794 N/A LEU 435.A N LYS 431.A O no hydrogen 3.113 N/A MET 436.A N LEU 432.A O no hydrogen 2.638 N/A SER 437.A N ASN 433.A O no hydrogen 3.142 N/A LEU 438.A N SER 434.A O no hydrogen 3.245 N/A LEU 438.A N LEU 435.A O no hydrogen 2.958 N/A VAL 439.A N LEU 435.A O no hydrogen 2.939 N/A ASN 440.A ND2 ASN 440.A O no hydrogen 2.786 N/A LYS 441.A N LEU 438.A O no hydrogen 3.107 N/A THR 443.A OG1 VAL 439.A O no hydrogen 2.321 N/A HIS 444.A ND1 ASN 440.A O no hydrogen 2.721 N/A LEU 445.A N THR 442.A O no hydrogen 3.033 N/A ILE 446.A N THR 442.A O no hydrogen 3.015 N/A GLU 449.A N ILE 446.A O no hydrogen 2.901 N/A GLU 450.A N ILE 446.A O no hydrogen 3.284 N/A MET 451.A N LYS 448.A O no hydrogen 3.029 N/A HIS 453.A ND1 GLU 449.A O no hydrogen 2.692 N/A ASN 454.A N GLU 450.A O no hydrogen 3.431 N/A