Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6msh_W.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 3.A OD1 no hydrogen 3.252 N/A MET 1.A N GLU 42.A OE1 no hydrogen 3.105 N/A GLY 4.A N MET 1.A O no hydrogen 3.030 N/A GLY 4.A N ASP 3.A OD1 no hydrogen 2.668 N/A SER 6.A N ALA 2.A O no hydrogen 2.654 N/A GLU 7.A N ASP 3.A O no hydrogen 2.889 N/A ARG 8.A N GLY 4.A O no hydrogen 2.991 N/A ALA 9.A N GLY 5.A O no hydrogen 3.170 N/A ASP 10.A N SER 6.A O no hydrogen 2.836 N/A GLY 11.A N GLU 7.A O no hydrogen 2.847 N/A ARG 12.A NH2 ASP 19.A OD2 no hydrogen 3.262 N/A ARG 12.A NH2 THR 23.A OG1 no hydrogen 2.376 N/A ILE 13.A N ALA 9.A O no hydrogen 3.320 N/A TYR 20.A N ASP 19.A OD1 no hydrogen 2.668 N/A THR 23.A N TYR 20.A O no hydrogen 3.277 N/A THR 23.A OG1 ASP 19.A OD2 no hydrogen 2.738 N/A THR 23.A OG1 TYR 20.A O no hydrogen 2.653 N/A VAL 24.A N SER 21.A O no hydrogen 3.184 N/A GLN 26.A N ALA 22.A O no hydrogen 2.666 N/A ARG 27.A N VAL 24.A O no hydrogen 3.051 N/A ARG 27.A NH1 ARG 8.A O no hydrogen 2.714 N/A CYS 31.A N ARG 27.A O no hydrogen 3.424 N/A CYS 31.A SG ARG 27.A O no hydrogen 3.910 N/A ALA 32.A N LEU 28.A O no hydrogen 3.091 N/A LYS 33.A N PRO 29.A O no hydrogen 3.185 N/A LEU 34.A N GLU 30.A O no hydrogen 3.042 N/A ALA 35.A N CYS 31.A O no hydrogen 2.929 N/A LYS 36.A N LYS 33.A O no hydrogen 3.170 N/A LYS 36.A NZ GLU 85.A OE2 no hydrogen 3.559 N/A GLU 37.A N LYS 33.A O no hydrogen 3.428 N/A LEU 48.A N ILE 44.A O no hydrogen 2.797 N/A SER 49.A N GLU 45.A O no hydrogen 3.001 N/A SER 49.A OG GLU 45.A O no hydrogen 3.481 N/A SER 49.A OG THR 46.A O no hydrogen 2.530 N/A LEU 50.A N THR 46.A O no hydrogen 2.992 N/A GLU 51.A N LEU 47.A O no hydrogen 3.190 N/A LYS 52.A N LEU 48.A O no hydrogen 3.346 N/A GLN 53.A N SER 49.A O no hydrogen 3.082 N/A THR 54.A N LEU 50.A O no hydrogen 2.996 N/A THR 54.A OG1 LEU 50.A O no hydrogen 3.322 N/A THR 54.A OG1 GLU 51.A O no hydrogen 2.833 N/A ARG 55.A N GLU 51.A O no hydrogen 3.340 N/A ARG 55.A NE ASP 59.A OD2 no hydrogen 3.075 N/A THR 56.A N LYS 52.A O no hydrogen 3.037 N/A THR 56.A OG1 LYS 52.A O no hydrogen 2.555 N/A THR 56.A OG1 GLN 53.A O no hydrogen 3.078 N/A ALA 57.A N GLN 53.A O no hydrogen 2.983 N/A SER 58.A N THR 54.A O no hydrogen 2.859 N/A SER 58.A OG THR 54.A O no hydrogen 3.564 N/A SER 58.A OG ARG 55.A O no hydrogen 2.615 N/A ASP 59.A N ARG 55.A O no hydrogen 2.557 N/A MET 60.A N THR 56.A O no hydrogen 2.999 N/A VAL 61.A N ALA 57.A O no hydrogen 2.948 N/A SER 62.A N SER 58.A O no hydrogen 3.165 N/A SER 62.A OG SER 58.A O no hydrogen 3.151 N/A SER 62.A OG ASP 59.A O no hydrogen 2.824 N/A THR 63.A N ASP 59.A O no hydrogen 3.176 N/A THR 63.A OG1 ASP 59.A O no hydrogen 2.464 N/A SER 64.A N VAL 61.A O no hydrogen 3.329 N/A SER 64.A OG VAL 61.A O no hydrogen 2.698 N/A VAL 70.A N VAL 68.A O no hydrogen 2.631 N/A CYS 74.A N VAL 70.A O no hydrogen 2.638 N/A CYS 74.A SG VAL 70.A O no hydrogen 3.252 N/A CYS 74.A SG VAL 71.A O no hydrogen 3.771 N/A TYR 75.A N VAL 71.A O no hydrogen 3.141 N/A ALA 77.A N MET 73.A O no hydrogen 2.702 N/A GLU 79.A N TYR 75.A O no hydrogen 2.622 N/A TRP 80.A N GLU 76.A O no hydrogen 2.966 N/A ASP 81.A N ALA 77.A O no hydrogen 3.372 N/A LEU 82.A N LYS 78.A O no hydrogen 2.867 N/A LEU 83.A N GLU 79.A O no hydrogen 3.194 N/A ASN 84.A N TRP 80.A O no hydrogen 3.221 N/A GLU 85.A N ASP 81.A O no hydrogen 3.173 N/A ASN 86.A N LEU 82.A O no hydrogen 3.360 N/A SER 91.A OG ALA 35.A O no hydrogen 3.001 N/A LEU 97.A N ARG 94.A O no hydrogen 3.151 N/A LYS 98.A N ARG 94.A O no hydrogen 2.631 N/A LYS 98.A NZ ILE 140.A O no hydrogen 3.567 N/A VAL 101.A N LEU 97.A O no hydrogen 2.647 N/A ALA 102.A N LYS 98.A O no hydrogen 2.968 N/A LYS 103.A N GLN 99.A O no hydrogen 2.560 N/A MET 104.A N ALA 100.A O no hydrogen 2.948 N/A VAL 105.A N VAL 101.A O no hydrogen 3.047 N/A GLN 106.A N ALA 102.A O no hydrogen 3.283 N/A GLN 107.A N LYS 103.A O no hydrogen 2.748 N/A CYS 108.A N MET 104.A O no hydrogen 2.600 N/A CYS 108.A SG MET 104.A O no hydrogen 3.166 N/A CYS 109.A N VAL 105.A O no hydrogen 3.070 N/A THR 110.A N GLN 106.A O no hydrogen 3.092 N/A THR 110.A OG1 GLN 106.A O no hydrogen 2.970 N/A THR 110.A OG1 GLN 107.A O no hydrogen 2.696 N/A TYR 111.A N GLN 107.A O no hydrogen 2.993 N/A TYR 111.A N CYS 108.A O no hydrogen 3.237 N/A VAL 112.A N CYS 108.A O no hydrogen 2.981 N/A GLU 114.A N TYR 111.A O no hydrogen 2.948 N/A ILE 115.A N TYR 111.A O no hydrogen 2.610 N/A LYS 121.A N ASP 117.A O no hydrogen 3.103 N/A LEU 122.A N LEU 118.A O no hydrogen 2.865 N/A ARG 123.A N PRO 119.A O no hydrogen 2.743 N/A LEU 124.A N ILE 120.A O no hydrogen 2.513 N/A ILE 125.A N LYS 121.A O no hydrogen 2.741 N/A ASP 126.A N LEU 122.A O no hydrogen 3.076 N/A ASP 126.A N ARG 123.A O no hydrogen 3.223 N/A THR 127.A N ARG 123.A O no hydrogen 3.012 N/A LEU 128.A N LEU 124.A O no hydrogen 2.848 N/A ARG 129.A N ILE 125.A O no hydrogen 3.357 N/A MET 130.A N THR 127.A O no hydrogen 3.040 N/A VAL 131.A N THR 127.A O no hydrogen 2.932 N/A THR 132.A OG1 LEU 128.A O no hydrogen 2.627 N/A THR 132.A OG1 GLU 133.A OE1 no hydrogen 2.719 N/A GLY 134.A N MET 130.A O no hydrogen 2.667 N/A ARG 142.A NE GLY 175.A O no hydrogen 3.407 N/A ARG 142.A NH2 GLY 175.A O no hydrogen 2.943 N/A LEU 145.A N GLU 141.A O no hydrogen 2.829 N/A THR 146.A N ARG 142.A O no hydrogen 2.979 N/A LYS 147.A NZ THR 127.A OG1 no hydrogen 2.496 N/A THR 148.A N ARG 144.A O no hydrogen 3.078 N/A THR 148.A OG1 GLU 168.A OE1 no hydrogen 2.827 N/A LEU 149.A N LEU 145.A O no hydrogen 3.120 N/A ALA 150.A N THR 146.A O no hydrogen 2.952 N/A THR 151.A N LYS 147.A O no hydrogen 2.703 N/A THR 151.A OG1 LYS 147.A O no hydrogen 2.518 N/A ILE 152.A N THR 148.A O no hydrogen 3.286 N/A LYS 153.A NZ GLU 188.A OE2 no hydrogen 3.179 N/A GLN 155.A N GLN 155.A OE1 no hydrogen 2.609 N/A GLN 155.A NE2 ASP 158.A OD1 no hydrogen 2.879 N/A GLU 161.A N ASP 158.A OD1 no hydrogen 2.784 N/A ALA 162.A N ASP 158.A O no hydrogen 3.231 N/A ALA 163.A N VAL 159.A O no hydrogen 3.189 N/A SER 164.A N LYS 160.A O no hydrogen 2.725 N/A SER 164.A OG LYS 160.A O no hydrogen 2.509 N/A ILE 165.A N GLU 161.A O no hydrogen 2.924 N/A LEU 166.A N ALA 162.A O no hydrogen 3.071 N/A GLN 167.A N ALA 163.A O no hydrogen 3.390 N/A GLN 167.A NE2 SER 164.A O no hydrogen 3.595 N/A GLU 168.A N ILE 165.A O no hydrogen 2.803 N/A VAL 171.A N GLU 168.A O no hydrogen 3.277 N/A THR 173.A N VAL 171.A O no hydrogen 2.866 N/A LYS 180.A N GLU 178.A OE1 no hydrogen 2.823 N/A LYS 180.A NZ GLU 178.A OE2 no hydrogen 2.965 N/A GLU 181.A N GLU 178.A OE1 no hydrogen 2.524 N/A GLU 184.A N LYS 180.A O no hydrogen 2.801 N/A PHE 185.A N GLU 181.A O no hydrogen 3.150 N/A ILE 186.A N VAL 183.A O no hydrogen 3.262 N/A LEU 187.A N VAL 183.A O no hydrogen 3.033 N/A GLN 189.A N GLN 189.A OE1 no hydrogen 2.585 N/A CYS 193.A N GLN 189.A O no hydrogen 2.786 N/A CYS 193.A SG GLN 189.A O no hydrogen 3.357 N/A LEU 194.A N MET 190.A O no hydrogen 2.747 N/A ALA 195.A N ARG 191.A O no hydrogen 2.627 N/A VAL 196.A N LEU 192.A O no hydrogen 3.186 N/A LYS 197.A NZ TYR 199.A OH no hydrogen 3.168 N/A ASP 198.A N CYS 193.A O no hydrogen 2.487 N/A ARG 201.A N ASP 198.A OD1 no hydrogen 3.411 N/A THR 202.A OG1 ASP 198.A O no hydrogen 2.377 N/A GLN 203.A N TYR 199.A O no hydrogen 3.138 N/A ILE 205.A N ARG 201.A O no hydrogen 3.127 N/A SER 206.A N THR 202.A O no hydrogen 2.669 N/A SER 206.A OG TYR 226.A OH no hydrogen 2.553 N/A LYS 207.A N GLN 203.A O no hydrogen 3.222 N/A LYS 207.A N ILE 204.A O no hydrogen 3.145 N/A ILE 209.A N SER 206.A O no hydrogen 3.185 N/A LYS 212.A N ILE 209.A O no hydrogen 3.186 N/A GLN 215.A N GLN 215.A OE1 no hydrogen 2.598 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.767 N/A LYS 223.A NZ GLU 216.A OE1 no hydrogen 2.341 N/A TYR 226.A N LEU 222.A O no hydrogen 3.385 N/A TYR 226.A OH SER 206.A O no hydrogen 2.855 N/A TYR 226.A OH SER 206.A OG no hydrogen 2.553 N/A TYR 227.A N LYS 223.A O no hydrogen 3.292 N/A ASN 228.A N LEU 224.A O no hydrogen 2.901 N/A MET 230.A N TYR 226.A O no hydrogen 2.973 N/A ILE 231.A N TYR 227.A O no hydrogen 2.651 N/A LEU 233.A N LEU 229.A O no hydrogen 2.769 N/A ASP 234.A N MET 230.A O no hydrogen 3.232 N/A GLN 235.A N ILE 231.A O no hydrogen 3.021 N/A HIS 236.A N GLN 232.A O no hydrogen 3.067 N/A GLY 238.A N ASP 234.A O no hydrogen 2.569 N/A SER 239.A OG ASP 234.A OD1 no hydrogen 3.345 N/A CYS 244.A N TYR 240.A O no hydrogen 2.905 N/A LYS 245.A N LEU 241.A O no hydrogen 2.905 N/A HIS 246.A N SER 242.A O no hydrogen 2.909 N/A TYR 247.A N CYS 244.A O no hydrogen 2.678 N/A ARG 248.A N CYS 244.A O no hydrogen 3.294 N/A ARG 248.A N LYS 245.A O no hydrogen 2.765 N/A ILE 250.A N HIS 246.A O no hydrogen 3.323 N/A TYR 251.A N TYR 247.A O no hydrogen 2.852 N/A ASP 252.A N ARG 248.A O no hydrogen 3.237 N/A THR 253.A N ALA 249.A O no hydrogen 3.368 N/A THR 253.A OG1 ALA 249.A O no hydrogen 3.111 N/A THR 253.A OG1 ASP 252.A OD1 no hydrogen 3.268 N/A CYS 255.A SG ASP 252.A O no hydrogen 3.208 N/A GLN 257.A N PRO 254.A O no hydrogen 3.208 N/A GLN 257.A NE2 THR 253.A O no hydrogen 3.128 N/A GLU 261.A N GLU 261.A OE1 no hydrogen 2.647 N/A GLN 264.A N GLU 261.A O no hydrogen 2.884 N/A GLN 265.A N GLU 261.A O no hydrogen 3.061 N/A ALA 266.A N LYS 262.A O no hydrogen 3.296 N/A LEU 267.A N TRP 263.A O no hydrogen 3.198 N/A LYS 268.A N GLN 264.A O no hydrogen 3.122 N/A SER 269.A N GLN 265.A O no hydrogen 2.805 N/A SER 269.A OG ALA 266.A O no hydrogen 3.232 N/A VAL 271.A N LEU 267.A O no hydrogen 3.436 N/A ALA 277.A N VAL 274.A O no hydrogen 3.363 N/A SER 284.A OG ASN 281.A O no hydrogen 2.418 N/A VAL 287.A N GLN 283.A O no hydrogen 3.148 N/A HIS 288.A N ASP 285.A O no hydrogen 3.178 N/A ARG 289.A N ASP 285.A O no hydrogen 2.872 N/A ILE 290.A N LEU 286.A O no hydrogen 2.913 N/A SER 291.A OG TYR 302.A OH no hydrogen 2.962 N/A GLY 292.A N TYR 302.A OH no hydrogen 2.916 N/A LEU 296.A N GLU 297.A OE1 no hydrogen 3.440 N/A GLU 297.A N GLU 297.A OE1 no hydrogen 2.736 N/A TYR 302.A N ILE 299.A O no hydrogen 3.161 N/A TYR 302.A OH SER 291.A OG no hydrogen 2.962 N/A ASP 304.A N PRO 300.A O no hydrogen 2.779 N/A LEU 305.A N LYS 301.A O no hydrogen 2.693 N/A LEU 306.A N TYR 302.A O no hydrogen 2.930 N/A LYS 307.A N LYS 303.A O no hydrogen 2.964 N/A LEU 308.A N ASP 304.A O no hydrogen 3.173 N/A LEU 308.A N LEU 305.A O no hydrogen 3.070 N/A THR 311.A OG1 THR 310.A O no hydrogen 2.617 N/A THR 319.A OG1 ARG 316.A O no hydrogen 2.384 N/A LEU 320.A N ARG 316.A O no hydrogen 2.760 N/A VAL 321.A N TRP 317.A O no hydrogen 3.119 N/A ASP 323.A N THR 319.A O no hydrogen 3.208 N/A LEU 328.A N GLY 325.A O no hydrogen 3.020 N/A ARG 329.A N GLY 325.A O no hydrogen 2.798 N/A LYS 330.A NZ GLY 331.A O no hydrogen 3.082 N/A SER 335.A OG GLN 265.A OE1 no hydrogen 2.944 N/A THR 338.A OG1 GLU 334.A O no hydrogen 2.505 N/A ASP 339.A N PRO 336.A O no hydrogen 3.038 N/A VAL 340.A N PRO 336.A O no hydrogen 2.930 N/A PHE 341.A N ALA 337.A O no hydrogen 3.290 N/A THR 344.A N SER 343.A OG no hydrogen 2.610 N/A THR 344.A OG1 GLU 345.A OE1 no hydrogen 2.386 N/A LYS 349.A N GLU 345.A O no hydrogen 2.837 N/A ARG 350.A N GLU 346.A O no hydrogen 3.103 N/A TRP 351.A N GLY 347.A O no hydrogen 2.642 N/A LYS 352.A N GLU 348.A O no hydrogen 3.176 N/A ASP 353.A N LYS 349.A O no hydrogen 2.577 N/A LEU 354.A N ARG 350.A O no hydrogen 2.812 N/A LYS 355.A N TRP 351.A O no hydrogen 2.909 N/A ASN 356.A N LYS 352.A O no hydrogen 2.839 N/A ARG 357.A N ASP 353.A O no hydrogen 2.804 N/A ARG 357.A NE LEU 276.A O no hydrogen 2.714 N/A ARG 357.A NH1 LEU 276.A O no hydrogen 2.868 N/A VAL 358.A N LEU 354.A O no hydrogen 3.026 N/A VAL 359.A N LYS 355.A O no hydrogen 3.259 N/A GLU 360.A N ASN 356.A O no hydrogen 3.045 N/A HIS 361.A N ARG 357.A O no hydrogen 3.055 N/A ASN 362.A N VAL 358.A O no hydrogen 2.775 N/A ILE 363.A N VAL 359.A O no hydrogen 3.070 N/A ARG 364.A N GLU 360.A O no hydrogen 3.336 N/A ARG 364.A NE GLU 360.A O no hydrogen 3.094 N/A MET 366.A N ASN 362.A O no hydrogen 3.307 N/A ALA 367.A N ILE 363.A O no hydrogen 2.793 N/A LYS 368.A N ARG 364.A O no hydrogen 3.157 N/A TYR 369.A N ILE 365.A O no hydrogen 3.070 N/A MET 375.A N GLY 411.A O no hydrogen 2.382 N/A ALA 379.A N MET 375.A O no hydrogen 3.072 N/A GLN 380.A N LYS 376.A O no hydrogen 3.070 N/A LEU 381.A N ARG 377.A O no hydrogen 3.062 N/A LEU 382.A N MET 378.A O no hydrogen 3.043 N/A LEU 384.A N ALA 379.A O no hydrogen 3.405 N/A ASP 387.A N SER 385.A OG no hydrogen 3.314 N/A SER 389.A OG SER 385.A O no hydrogen 3.131 N/A SER 389.A OG VAL 386.A O no hydrogen 3.012 N/A GLU 390.A N VAL 386.A O no hydrogen 3.460 N/A ALA 391.A N ASP 387.A O no hydrogen 3.152 N/A PHE 392.A N GLU 388.A O no hydrogen 2.834 N/A LEU 393.A N SER 389.A O no hydrogen 3.231 N/A SER 394.A N GLU 390.A O no hydrogen 2.884 N/A SER 394.A OG GLU 390.A O no hydrogen 2.614 N/A ASN 395.A N ALA 391.A O no hydrogen 3.189 N/A LEU 396.A N PHE 392.A O no hydrogen 3.122 N/A VAL 397.A N LEU 393.A O no hydrogen 3.060 N/A ASN 399.A N LEU 396.A O no hydrogen 3.170 N/A ILE 413.A N ILE 373.A O no hydrogen 3.008 N/A ASN 414.A N LYS 405.A O no hydrogen 3.229 N/A PHE 415.A N THR 371.A O no hydrogen 2.632 N/A ARG 417.A NH2 ALA 404.A O no hydrogen 2.745 N/A ASN 422.A N ASP 420.A OD2 no hydrogen 2.949 N/A ASN 423.A N ASP 420.A OD2 no hydrogen 3.438 N/A LEU 424.A N ASP 420.A O no hydrogen 2.614 N/A LEU 425.A N PRO 421.A O no hydrogen 3.139 N/A ASN 426.A N ASN 422.A O no hydrogen 2.858 N/A ASP 427.A N ASN 423.A O no hydrogen 2.857 N/A TRP 428.A N LEU 424.A O no hydrogen 2.784 N/A SER 429.A N LEU 425.A O no hydrogen 3.210 N/A SER 429.A OG LEU 425.A O no hydrogen 3.139 N/A SER 429.A OG ASN 426.A O no hydrogen 3.238 N/A GLN 430.A N ASN 426.A O no hydrogen 3.111 N/A LYS 431.A N ASP 427.A O no hydrogen 3.289 N/A LEU 432.A N TRP 428.A O no hydrogen 3.044 N/A ASN 433.A N SER 429.A O no hydrogen 2.824 N/A ASN 433.A N GLN 430.A O no hydrogen 3.102 N/A SER 434.A N GLN 430.A O no hydrogen 3.103 N/A SER 434.A OG GLN 430.A O no hydrogen 3.465 N/A LEU 435.A N LYS 431.A O no hydrogen 3.332 N/A MET 436.A N ASN 433.A O no hydrogen 3.368 N/A SER 437.A N ASN 433.A O no hydrogen 3.066 N/A ASN 440.A ND2 MET 436.A O no hydrogen 3.566 N/A LYS 441.A N SER 437.A O no hydrogen 3.125 N/A THR 442.A N LEU 438.A O no hydrogen 3.240 N/A THR 442.A N VAL 439.A O no hydrogen 3.020 N/A THR 442.A OG1 LEU 438.A O no hydrogen 2.626 N/A THR 443.A N VAL 439.A O no hydrogen 2.938 N/A THR 443.A OG1 ASN 440.A O no hydrogen 2.457 N/A THR 443.A OG1 ASN 440.A OD1 no hydrogen 3.522 N/A LEU 445.A N LYS 441.A O no hydrogen 3.054 N/A ILE 446.A N THR 442.A O no hydrogen 2.700 N/A ALA 447.A N THR 443.A O no hydrogen 2.909 N/A LYS 448.A N HIS 444.A O no hydrogen 2.869 N/A GLU 450.A N ILE 446.A O no hydrogen 2.935 N/A HIS 453.A N GLU 449.A O no hydrogen 3.291 N/A ASN 454.A N GLU 450.A O no hydrogen 3.058 N/A