Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6smh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 THR 2.A O no hydrogen 2.624 N/A TYR 8.A N PRO 6.A O no hydrogen 2.544 N/A THR 9.A N ASP 7.A O no hydrogen 2.538 N/A LYS 11.A N ASP 14.A OD2 no hydrogen 2.417 N/A THR 13.A N ASP 12.A OD1 no hydrogen 2.663 N/A THR 13.A OG1 ASP 12.A OD1 no hydrogen 3.510 N/A ASP 14.A N PRO 83.A O no hydrogen 3.083 N/A LEU 15.A N THR 13.A O no hydrogen 2.561 N/A ALA 18.A N ASP 116.A O no hydrogen 3.097 N/A ARG 20.A N ARG 113.A O no hydrogen 2.840 N/A PHE 21.A N TYR 76.A O no hydrogen 2.896 N/A SER 22.A N SER 111.A O no hydrogen 2.939 N/A SER 22.A OG ASN 74.A O no hydrogen 3.153 N/A GLY 33.A N ALA 29.A O no hydrogen 3.168 N/A ALA 34.A N PRO 30.A O no hydrogen 2.904 N/A ALA 35.A N GLU 31.A O no hydrogen 2.861 N/A ILE 36.A N ALA 32.A O no hydrogen 2.944 N/A ALA 37.A N GLY 33.A O no hydrogen 2.986 N/A ALA 38.A N ALA 34.A O no hydrogen 2.841 N/A GLU 39.A N ALA 35.A O no hydrogen 2.881 N/A SER 40.A N ILE 36.A O no hydrogen 2.932 N/A SER 40.A OG ASP 82.A OD2 no hydrogen 3.449 N/A SER 41.A N ALA 38.A O no hydrogen 3.182 N/A SER 41.A OG TYR 59.A O no hydrogen 3.499 N/A THR 42.A OG1 SER 41.A O no hydrogen 2.596 N/A THR 42.A OG1 THR 42.A O no hydrogen 2.552 N/A THR 46.A OG1 GLY 43.A O no hydrogen 2.550 N/A LEU 53.A N THR 50.A O no hydrogen 2.829 N/A THR 54.A N THR 50.A O no hydrogen 2.664 N/A THR 54.A OG1 THR 50.A O no hydrogen 3.361 N/A ARG 58.A NH1 ASP 85.A OD2 no hydrogen 3.382 N/A GLY 61.A N SER 41.A OG no hydrogen 2.958 N/A LYS 62.A N ALA 81.A O no hydrogen 2.736 N/A CYS 63.A SG TYR 4.A O no hydrogen 3.773 N/A CYS 63.A SG HIS 65.A O no hydrogen 3.706 N/A CYS 63.A SG PHE 79.A O no hydrogen 3.907 N/A TYR 64.A N PHE 79.A O no hydrogen 3.343 N/A VAL 69.A N SER 75.A O no hydrogen 3.118 N/A ASN 74.A ND2 PRO 23.A O no hydrogen 3.651 N/A SER 75.A OG PHE 21.A O no hydrogen 3.099 N/A TYR 76.A N PHE 21.A O no hydrogen 2.928 N/A PHE 77.A N GLU 67.A O no hydrogen 2.877 N/A ALA 78.A N PHE 19.A O no hydrogen 3.154 N/A ILE 80.A N ALA 17.A O no hydrogen 2.803 N/A ASP 82.A N ASP 14.A O no hydrogen 2.971 N/A ASN 94.A N SER 91.A OG no hydrogen 2.535 N/A ASN 94.A ND2 ASN 94.A O no hydrogen 2.843 N/A LEU 96.A N VAL 92.A O no hydrogen 2.972 N/A THR 97.A N THR 93.A O no hydrogen 2.871 N/A THR 97.A OG1 THR 93.A O no hydrogen 2.300 N/A SER 98.A N ASN 94.A O no hydrogen 2.915 N/A ILE 99.A N ILE 95.A O no hydrogen 3.041 N/A VAL 100.A N LEU 96.A O no hydrogen 3.080 N/A ARG 110.A N SER 22.A O no hydrogen 2.866 N/A SER 111.A N SER 22.A O no hydrogen 2.916 N/A SER 111.A OG ASN 285.A O no hydrogen 3.288 N/A ARG 113.A N ARG 20.A O no hydrogen 2.910 N/A ARG 113.A NE GLU 115.A OE1 no hydrogen 2.970 N/A LEU 114.A N GLY 287.A O no hydrogen 2.905 N/A LEU 123.A N PRO 120.A O no hydrogen 3.217 N/A VAL 124.A N PRO 120.A O no hydrogen 3.033 N/A LYS 125.A N VAL 121.A O no hydrogen 3.419 N/A PHE 127.A N VAL 124.A O no hydrogen 3.415 N/A HIS 132.A N ASP 303.A OD1 no hydrogen 2.936 N/A GLU 137.A N GLY 133.A O no hydrogen 2.681 N/A ARG 138.A N ILE 134.A O no hydrogen 2.978 N/A ARG 138.A NH1 LYS 143.A O no hydrogen 2.664 N/A ARG 138.A NH1 ARG 146.A O no hydrogen 3.569 N/A ARG 138.A NH2 ASP 375.A O no hydrogen 3.091 N/A ARG 138.A NH2 ASP 376.A OD1 no hydrogen 2.799 N/A ASP 139.A N GLN 135.A O no hydrogen 2.858 N/A LEU 140.A N VAL 136.A O no hydrogen 2.898 N/A LEU 141.A N ARG 138.A O no hydrogen 3.209 N/A ASN 142.A N ARG 138.A O no hydrogen 2.707 N/A LYS 143.A NZ ASP 177.A OD1 no hydrogen 2.801 N/A LYS 143.A NZ ILE 214.A O no hydrogen 3.339 N/A TYR 144.A OH ARG 138.A O no hydrogen 3.389 N/A MET 148.A N SER 377.A O no hydrogen 3.124 N/A LEU 149.A N ASP 177.A OD2 no hydrogen 2.998 N/A CYS 151.A N PHE 178.A O no hydrogen 3.437 N/A CYS 151.A SG THR 152.A O no hydrogen 3.343 N/A CYS 151.A SG PHE 381.A O no hydrogen 3.455 N/A THR 152.A N PHE 381.A O no hydrogen 3.164 N/A TYR 164.A N SER 160.A O no hydrogen 2.550 N/A TYR 164.A OH ASP 181.A OD1 no hydrogen 2.292 N/A GLY 165.A N ALA 161.A O no hydrogen 3.163 N/A ARG 166.A N LYS 162.A O no hydrogen 3.058 N/A ALA 167.A N ASN 163.A O no hydrogen 2.964 N/A VAL 168.A N TYR 164.A O no hydrogen 2.871 N/A TYR 169.A N GLY 165.A O no hydrogen 2.889 N/A TYR 169.A OH GLU 210.A OE1 no hydrogen 2.703 N/A GLU 170.A N ARG 166.A O no hydrogen 2.956 N/A CYS 171.A N ALA 167.A O no hydrogen 2.925 N/A LEU 172.A N VAL 168.A O no hydrogen 2.865 N/A ARG 173.A N TYR 169.A O no hydrogen 2.822 N/A GLY 174.A N GLU 170.A O no hydrogen 3.024 N/A GLY 175.A N LEU 172.A O no hydrogen 3.238 N/A ASP 177.A N LEU 149.A O no hydrogen 3.268 N/A PHE 178.A N LEU 149.A O no hydrogen 2.736 N/A THR 179.A OG1 HIS 217.A ND1 no hydrogen 2.363 N/A LYS 180.A NZ THR 152.A OG1 no hydrogen 3.088 N/A ASP 181.A N TYR 218.A O no hydrogen 3.397 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.676 N/A GLN 191.A N GLN 188.A O no hydrogen 2.657 N/A ARG 192.A NH2 SER 187.A OG no hydrogen 3.363 N/A PHE 197.A N TRP 193.A O no hydrogen 3.479 N/A LEU 198.A N ARG 194.A O no hydrogen 3.060 N/A PHE 199.A N ASP 195.A O no hydrogen 2.885 N/A VAL 200.A N ARG 196.A O no hydrogen 2.922 N/A ALA 201.A N PHE 197.A O no hydrogen 2.915 N/A ASP 202.A N LEU 198.A O no hydrogen 2.979 N/A ALA 203.A N PHE 199.A O no hydrogen 2.902 N/A ILE 204.A N VAL 200.A O no hydrogen 2.937 N/A HIS 205.A N ALA 201.A O no hydrogen 3.001 N/A LYS 206.A N ASP 202.A O no hydrogen 2.972 N/A SER 207.A N ALA 203.A O no hydrogen 2.936 N/A SER 207.A OG ALA 203.A O no hydrogen 3.035 N/A SER 207.A OG ILE 204.A O no hydrogen 2.642 N/A GLN 208.A N ILE 204.A O no hydrogen 2.893 N/A ALA 209.A N HIS 205.A O no hydrogen 2.997 N/A GLU 210.A N LYS 206.A O no hydrogen 2.971 N/A THR 211.A N SER 207.A O no hydrogen 2.949 N/A THR 211.A OG1 SER 207.A O no hydrogen 2.869 N/A GLY 212.A N GLN 208.A O no hydrogen 3.258 N/A LYS 215.A NZ LEU 176.A O no hydrogen 2.642 N/A LYS 215.A NZ GLU 213.A OE1 no hydrogen 2.824 N/A HIS 217.A ND1 THR 179.A OG1 no hydrogen 2.363 N/A HIS 217.A NE2 ASP 181.A OD1 no hydrogen 2.765 N/A TYR 218.A N THR 179.A O no hydrogen 2.654 N/A ASN 220.A N ASP 181.A OD2 no hydrogen 3.232 N/A ASN 220.A ND2 ASP 182.A O no hydrogen 3.481 N/A ASN 220.A ND2 GLU 183.A O no hydrogen 3.255 N/A VAL 221.A N MET 245.A O no hydrogen 3.154 N/A THR 222.A N ASN 220.A OD1 no hydrogen 3.084 N/A THR 222.A OG1 ASN 220.A OD1 no hydrogen 2.859 N/A THR 222.A OG1 ASP 247.A OD1 no hydrogen 2.365 N/A GLU 228.A N THR 225.A OG1 no hydrogen 2.931 N/A MET 229.A N THR 225.A O no hydrogen 3.104 N/A MET 230.A N CYS 226.A O no hydrogen 2.900 N/A LYS 231.A N GLU 227.A O no hydrogen 2.912 N/A ARG 232.A N GLU 228.A O no hydrogen 2.944 N/A ARG 232.A NE GLU 228.A OE2 no hydrogen 2.757 N/A ALA 233.A N MET 229.A O no hydrogen 2.921 N/A GLU 234.A N MET 230.A O no hydrogen 2.862 N/A PHE 235.A N LYS 231.A O no hydrogen 2.965 N/A ALA 236.A N ARG 232.A O no hydrogen 2.908 N/A LYS 237.A N ALA 233.A O no hydrogen 2.926 N/A GLU 238.A N GLU 234.A O no hydrogen 2.948 N/A LEU 239.A N PHE 235.A O no hydrogen 3.375 N/A GLY 240.A N LYS 237.A O no hydrogen 3.338 N/A MET 241.A N ALA 236.A O no hydrogen 3.011 N/A ILE 244.A N LEU 269.A O no hydrogen 3.323 N/A MET 245.A N LEU 219.A O no hydrogen 2.488 N/A HIS 246.A N HIS 271.A O no hydrogen 2.841 N/A GLY 252.A N PHE 248.A O no hydrogen 2.892 N/A ASN 256.A N GLY 252.A O no hydrogen 2.930 N/A THR 257.A N PHE 253.A O no hydrogen 2.820 N/A THR 257.A OG1 PHE 253.A O no hydrogen 2.837 N/A THR 257.A OG1 SER 300.A OG no hydrogen 2.617 N/A THR 258.A N THR 254.A O no hydrogen 3.017 N/A THR 258.A OG1 THR 254.A O no hydrogen 2.806 N/A LEU 259.A N ALA 255.A O no hydrogen 2.889 N/A ALA 260.A N ASN 256.A O no hydrogen 2.880 N/A LYS 261.A N THR 257.A O no hydrogen 2.950 N/A TRP 262.A N THR 258.A O no hydrogen 2.934 N/A TRP 262.A NE1 GLU 234.A OE2 no hydrogen 2.733 N/A CYS 263.A N LEU 259.A O no hydrogen 2.893 N/A CYS 263.A SG LEU 259.A O no hydrogen 3.257 N/A ARG 264.A N ALA 260.A O no hydrogen 2.958 N/A ARG 264.A NH1 GLN 128.A O no hydrogen 2.857 N/A ARG 264.A NH1 PRO 130.A O no hydrogen 2.420 N/A ASP 265.A N LYS 261.A O no hydrogen 2.975 N/A ASN 266.A N TRP 262.A O no hydrogen 2.971 N/A GLY 267.A N CYS 263.A O no hydrogen 2.810 N/A VAL 268.A N CYS 263.A O no hydrogen 3.272 N/A LEU 269.A N PRO 242.A O no hydrogen 2.866 N/A HIS 271.A N ILE 244.A O no hydrogen 2.740 N/A ALA 275.A N HIS 273.A O no hydrogen 2.871 N/A HIS 277.A ND1 ASP 281.A OD2 no hydrogen 2.999 N/A ILE 280.A N HIS 277.A O no hydrogen 2.961 N/A ASP 281.A N HIS 277.A O no hydrogen 3.354 N/A GLY 287.A N LEU 112.A O no hydrogen 3.315 N/A HIS 289.A N LEU 114.A O no hydrogen 3.044 N/A ARG 291.A N HIS 289.A ND1 no hydrogen 3.006 N/A ARG 291.A NE GLU 115.A O no hydrogen 3.529 N/A ARG 291.A NE ASP 116.A OD1 no hydrogen 2.543 N/A ARG 291.A NH2 GLU 115.A O no hydrogen 3.376 N/A VAL 292.A N HIS 289.A O no hydrogen 3.192 N/A ALA 294.A N PHE 290.A O no hydrogen 2.775 N/A LYS 295.A N ARG 291.A O no hydrogen 2.968 N/A LYS 295.A NZ ILE 117.A O no hydrogen 3.057 N/A LYS 295.A NZ GLN 345.A OE1 no hydrogen 2.940 N/A CYS 296.A N VAL 292.A O no hydrogen 2.942 N/A CYS 296.A SG VAL 292.A O no hydrogen 3.242 N/A LEU 297.A N LEU 293.A O no hydrogen 2.822 N/A ARG 298.A N ALA 294.A O no hydrogen 2.894 N/A ARG 298.A NH1 LEU 327.A O no hydrogen 3.107 N/A ARG 298.A NH1 GLU 330.A O no hydrogen 3.219 N/A ARG 298.A NH2 MET 350.A O no hydrogen 2.599 N/A LEU 299.A N LYS 295.A O no hydrogen 3.008 N/A SER 300.A N CYS 296.A O no hydrogen 2.959 N/A SER 300.A OG THR 257.A OG1 no hydrogen 2.617 N/A ASP 303.A N LEU 270.A O no hydrogen 2.860 N/A HIS 304.A N LEU 270.A O no hydrogen 2.907 N/A HIS 304.A NE2 GLU 137.A OE2 no hydrogen 2.355 N/A HIS 306.A N ILE 272.A O no hydrogen 3.479 N/A SER 307.A N VAL 356.A O no hydrogen 2.889 N/A LYS 318.A N LEU 314.A O no hydrogen 2.866 N/A ALA 319.A N GLU 315.A O no hydrogen 2.902 N/A SER 320.A N GLY 316.A O no hydrogen 2.882 N/A SER 320.A OG GLY 316.A O no hydrogen 2.840 N/A THR 321.A N ASP 317.A O no hydrogen 2.899 N/A THR 321.A OG1 ASP 317.A O no hydrogen 2.813 N/A LEU 322.A N LYS 318.A O no hydrogen 2.933 N/A GLY 323.A N ALA 319.A O no hydrogen 2.850 N/A PHE 324.A N SER 320.A O no hydrogen 2.970 N/A VAL 325.A N THR 321.A O no hydrogen 2.924 N/A ASP 326.A N LEU 322.A O no hydrogen 2.922 N/A MET 328.A N VAL 325.A O no hydrogen 3.308 N/A ILE 333.A N GLN 345.A O no hydrogen 3.154 N/A SER 338.A N ASP 336.A OD1 no hydrogen 3.000 N/A SER 338.A OG ASP 336.A OD1 no hydrogen 3.014 N/A SER 338.A OG ASP 336.A OD2 no hydrogen 2.910 N/A VAL 341.A N ASP 336.A O no hydrogen 2.648 N/A GLN 345.A N ILE 333.A O no hydrogen 3.036 N/A TRP 347.A N ASP 331.A O no hydrogen 3.103 N/A TRP 347.A N ASP 346.A OD1 no hydrogen 2.593 N/A ALA 348.A N ASP 346.A OD1 no hydrogen 3.097 N/A MET 350.A N TRP 347.A O no hydrogen 3.281 N/A LEU 354.A N ASP 303.A O no hydrogen 3.220 N/A VAL 356.A N LEU 305.A O no hydrogen 3.011 N/A ILE 361.A N GLY 359.A O no hydrogen 2.856 N/A TRP 364.A N HIS 362.A ND1 no hydrogen 3.395 N/A HIS 365.A N HIS 362.A O no hydrogen 3.045 N/A MET 366.A N VAL 363.A O no hydrogen 2.960 N/A ALA 368.A N HIS 365.A O no hydrogen 2.931 N/A LEU 369.A N HIS 365.A O no hydrogen 3.057 N/A VAL 370.A N MET 366.A O no hydrogen 3.276 N/A ILE 372.A N LEU 369.A O no hydrogen 2.925 N/A PHE 373.A N LEU 369.A O no hydrogen 2.819 N/A SER 377.A N ASP 375.A O no hydrogen 3.078 N/A VAL 378.A N PRO 355.A O no hydrogen 3.206 N/A LEU 379.A N MET 148.A O no hydrogen 2.807 N/A GLN 380.A N ALA 357.A O no hydrogen 3.266 N/A LEU 386.A N GLY 384.A O no hydrogen 2.972 N/A HIS 388.A ND1 GLY 391.A O no hydrogen 2.650 N/A GLY 391.A N HIS 388.A ND1 no hydrogen 3.453 N/A ALA 393.A N ASN 392.A OD1 no hydrogen 2.640 N/A GLY 395.A N GLY 391.A O no hydrogen 2.896 N/A ALA 396.A N ASN 392.A O no hydrogen 2.843 N/A THR 397.A N ALA 393.A O no hydrogen 2.944 N/A THR 397.A OG1 GLY 174.A O no hydrogen 2.830 N/A THR 397.A OG1 ALA 393.A O no hydrogen 2.739 N/A ALA 398.A N PRO 394.A O no hydrogen 2.902 N/A ASN 399.A N GLY 395.A O no hydrogen 2.892 N/A ARG 400.A N ALA 396.A O no hydrogen 2.938 N/A ARG 400.A NH1 GLY 175.A O no hydrogen 2.579 N/A ARG 400.A NH1 GLU 213.A OE1 no hydrogen 3.247 N/A ARG 400.A NH2 GLU 213.A OE1 no hydrogen 3.361 N/A ARG 400.A NH2 GLU 213.A OE2 no hydrogen 2.686 N/A VAL 401.A N THR 397.A O no hydrogen 2.970 N/A ALA 402.A N ALA 398.A O no hydrogen 2.887 N/A LEU 403.A N ASN 399.A O no hydrogen 2.924 N/A GLU 404.A N ARG 400.A O no hydrogen 2.975 N/A ALA 405.A N VAL 401.A O no hydrogen 2.943 N/A CYS 406.A N ALA 402.A O no hydrogen 2.896 N/A CYS 406.A SG ALA 402.A O no hydrogen 3.217 N/A VAL 407.A N LEU 403.A O no hydrogen 2.914 N/A GLN 408.A N GLU 404.A O no hydrogen 3.000 N/A GLN 408.A NE2 GLU 412.A OE2 no hydrogen 3.138 N/A ALA 409.A N ALA 405.A O no hydrogen 2.879 N/A ARG 410.A N CYS 406.A O no hydrogen 2.895 N/A ASN 411.A N VAL 407.A O no hydrogen 2.965 N/A GLU 412.A N GLN 408.A O no hydrogen 2.897 N/A GLY 413.A N ARG 410.A O no hydrogen 3.171 N/A ARG 418.A N ASP 415.A O no hydrogen 2.724 N/A ARG 418.A NE GLU 447.A OE2 no hydrogen 3.208 N/A ILE 423.A N GLU 419.A O no hydrogen 2.994 N/A LEU 424.A N GLY 420.A O no hydrogen 3.132 N/A ARG 425.A N GLY 421.A O no hydrogen 2.978 N/A GLU 426.A N ASP 422.A O no hydrogen 2.933 N/A ALA 427.A N ILE 423.A O no hydrogen 2.911 N/A GLY 428.A N LEU 424.A O no hydrogen 2.917 N/A GLU 433.A N GLU 433.A OE1 no hydrogen 2.822 N/A ALA 435.A N SER 431.A O no hydrogen 3.123 N/A ALA 436.A N PRO 432.A O no hydrogen 2.920 N/A ALA 437.A N GLU 433.A O no hydrogen 2.946 N/A LEU 438.A N LEU 434.A O no hydrogen 2.830 N/A ASP 439.A N ALA 435.A O no hydrogen 2.901 N/A