Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N TYR 11.A O no hydrogen 3.004 N/A LEU 6.A N LYS 9.A O no hydrogen 2.651 N/A TYR 11.A N VAL 4.A O no hydrogen 2.783 N/A HIS 16.A N ASP 14.A OD2 no hydrogen 3.053 N/A SER 17.A N ASP 14.A OD2 no hydrogen 2.664 N/A SER 17.A OG LEU 99.A O no hydrogen 2.952 N/A ASN 18.A N TYR 98.A O no hydrogen 3.086 N/A ASN 18.A ND2 ASN 96.A O no hydrogen 3.594 N/A LYS 22.A NZ LYS 22.A O no hydrogen 3.344 N/A VAL 23.A N THR 20.A OG1 no hydrogen 3.138 N/A LEU 24.A N THR 20.A O no hydrogen 3.156 N/A THR 25.A N ARG 21.A O no hydrogen 3.233 N/A THR 25.A N LYS 22.A O no hydrogen 3.034 N/A THR 25.A OG1 LYS 22.A O no hydrogen 2.463 N/A ARG 26.A N VAL 23.A O no hydrogen 2.698 N/A ARG 26.A NH1 TYR 141.A OH no hydrogen 3.086 N/A ARG 29.A N ARG 26.A O no hydrogen 2.793 N/A HIS 32.A NE2 ASP 67.A O no hydrogen 2.485 N/A ASN 33.A ND2 ASP 67.A O no hydrogen 3.451 N/A GLN 34.A N LEU 31.A O no hydrogen 3.014 N/A HIS 37.A NE2 PHE 285.A O no hydrogen 3.007 N/A LEU 39.A N HIS 37.A ND1 no hydrogen 3.078 N/A TRP 40.A N HIS 37.A O no hydrogen 2.501 N/A LEU 41.A N HIS 37.A O no hydrogen 3.208 N/A ILE 42.A N PRO 38.A O no hydrogen 3.182 N/A LYS 43.A N TRP 40.A O no hydrogen 2.604 N/A LYS 43.A NZ HIS 32.A O no hydrogen 3.242 N/A LYS 43.A NZ ASN 33.A OD1 no hydrogen 2.797 N/A GLU 44.A N TRP 40.A O no hydrogen 3.110 N/A ARG 45.A N LEU 41.A O no hydrogen 2.562 N/A VAL 46.A N LYS 43.A O no hydrogen 3.034 N/A LYS 47.A N LYS 43.A O no hydrogen 2.414 N/A LYS 47.A NZ GLU 44.A OE1 no hydrogen 2.772 N/A GLU 48.A N GLU 44.A O no hydrogen 2.418 N/A PHE 50.A N VAL 46.A O no hydrogen 3.535 N/A TYR 51.A N LYS 47.A O no hydrogen 3.169 N/A LYS 52.A N GLU 48.A O no hydrogen 3.092 N/A LYS 52.A NZ GLU 48.A OE1 no hydrogen 3.570 N/A GLN 53.A N HIS 49.A O no hydrogen 2.817 N/A TYR 54.A N PHE 50.A O no hydrogen 3.029 N/A TYR 54.A OH THR 199.A OG1 no hydrogen 3.330 N/A TYR 66.A N LEU 125.A O no hydrogen 3.195 N/A SER 70.A OG VAL 72.A O no hydrogen 3.332 N/A VAL 73.A N MET 104.A O no hydrogen 2.860 N/A THR 74.A N GLN 77.A OE1 no hydrogen 3.056 N/A GLN 77.A N THR 74.A OG1 no hydrogen 3.055 N/A PHE 79.A N THR 75.A O no hydrogen 3.053 N/A SER 81.A N TRP 76.A O no hydrogen 2.842 N/A SER 81.A OG TRP 76.A O no hydrogen 3.507 N/A SER 81.A OG GLN 77.A O no hydrogen 2.724 N/A LEU 83.A N ASP 80.A O no hydrogen 2.936 N/A ILE 84.A N PHE 79.A O no hydrogen 3.166 N/A ARG 91.A N HIS 88.A O no hydrogen 3.034 N/A ARG 91.A NE PRO 85.A O no hydrogen 2.659 N/A ARG 91.A NH2 ILE 84.A O no hydrogen 3.529 N/A LYS 92.A N PRO 89.A O no hydrogen 2.890 N/A ASN 96.A N LYS 92.A O no hydrogen 3.247 N/A ASN 96.A N LYS 93.A O no hydrogen 3.176 N/A ASN 96.A ND2 SER 90.A O no hydrogen 2.672 N/A ASN 96.A ND2 LYS 92.A O no hydrogen 3.217 N/A TYR 98.A N ASN 18.A OD1 no hydrogen 3.043 N/A TYR 98.A OH ARG 91.A O no hydrogen 3.259 N/A LEU 99.A N HIS 103.A O no hydrogen 2.786 N/A ASN 100.A N HIS 103.A O no hydrogen 3.166 N/A ASN 100.A ND2 HIS 103.A ND1 no hydrogen 3.209 N/A ARG 101.A N ASP 14.A OD1 no hydrogen 3.087 N/A THR 102.A N ASN 100.A OD1 no hydrogen 2.398 N/A THR 102.A OG1 ASN 100.A OD1 no hydrogen 2.951 N/A THR 102.A OG1 HIS 103.A ND1 no hydrogen 2.787 N/A HIS 103.A N ASN 100.A O no hydrogen 3.329 N/A HIS 103.A ND1 ASN 100.A OD1 no hydrogen 3.294 N/A MET 104.A N VAL 73.A O no hydrogen 2.824 N/A LEU 105.A N TYR 97.A O no hydrogen 2.934 N/A ARG 106.A N PRO 71.A O no hydrogen 2.962 N/A ARG 106.A NE ASP 129.A O no hydrogen 2.500 N/A ARG 106.A NH1 HIS 112.A NE2 no hydrogen 2.678 N/A ARG 106.A NH2 ASP 129.A O no hydrogen 3.145 N/A ARG 106.A NH2 ASP 129.A OD1 no hydrogen 2.749 N/A HIS 108.A NE2 ASN 78.A O no hydrogen 2.879 N/A THR 109.A N GLN 146.A OE1 no hydrogen 3.097 N/A THR 109.A OG1 GLN 146.A OE1 no hydrogen 3.296 N/A THR 109.A OG1 GLU 148.A OE1 no hydrogen 2.542 N/A SER 110.A OG GLU 148.A OE1 no hydrogen 2.583 N/A SER 110.A OG GLU 148.A OE2 no hydrogen 3.160 N/A ALA 111.A N HIS 108.A O no hydrogen 3.097 N/A HIS 112.A N THR 109.A O no hydrogen 2.910 N/A GLN 113.A N SER 110.A O no hydrogen 3.372 N/A TRP 114.A NE1 SER 254.A OG no hydrogen 2.980 N/A LEU 116.A N HIS 112.A O no hydrogen 3.173 N/A LEU 117.A N GLN 113.A O no hydrogen 3.240 N/A HIS 118.A N TRP 114.A O no hydrogen 3.054 N/A ALA 119.A N ASP 115.A O no hydrogen 2.884 N/A GLY 120.A N LEU 116.A O no hydrogen 3.340 N/A PHE 124.A N VAL 150.A O no hydrogen 2.697 N/A LEU 125.A N SER 64.A O no hydrogen 3.494 N/A VAL 126.A N GLU 148.A O no hydrogen 2.895 N/A VAL 127.A N TYR 66.A O no hydrogen 2.898 N/A GLY 128.A N GLN 146.A O no hydrogen 3.031 N/A ASP 129.A N ASP 129.A OD1 no hydrogen 2.504 N/A VAL 130.A N PHE 144.A O no hydrogen 2.677 N/A TYR 131.A N ARG 106.A O no hydrogen 2.975 N/A ARG 132.A N PRO 142.A O no hydrogen 3.141 N/A ARG 133.A N ASP 95.A O no hydrogen 2.613 N/A ASP 137.A N HIS 140.A O no hydrogen 3.109 N/A HIS 140.A N ASP 137.A OD2 no hydrogen 2.506 N/A PHE 144.A N VAL 130.A O no hydrogen 3.068 N/A HIS 145.A N GLU 270.A OE1 no hydrogen 3.021 N/A HIS 145.A N GLU 270.A OE2 no hydrogen 2.842 N/A HIS 145.A ND1 GLU 270.A OE2 no hydrogen 2.537 N/A GLN 146.A N GLY 128.A O no hydrogen 2.896 N/A LEU 147.A N LEU 267.A O no hydrogen 2.884 N/A GLU 148.A N VAL 126.A O no hydrogen 2.925 N/A ALA 149.A N PHE 265.A O no hydrogen 2.546 N/A VAL 150.A N PHE 124.A O no hydrogen 2.824 N/A ARG 151.A N TRP 263.A O no hydrogen 3.103 N/A ARG 151.A NE LEU 152.A O no hydrogen 3.338 N/A LEU 152.A N ASP 122.A O no hydrogen 2.556 N/A SER 154.A N GLU 157.A OE1 no hydrogen 3.278 N/A LYS 155.A NZ LYS 155.A O no hydrogen 3.554 N/A GLU 157.A N SER 154.A O no hydrogen 2.924 N/A LEU 158.A N SER 154.A O no hydrogen 2.771 N/A ILE 162.A N ALA 160.A O no hydrogen 2.488 N/A GLU 166.A N GLU 166.A OE1 no hydrogen 2.688 N/A SER 167.A N GLY 165.A O no hydrogen 2.580 N/A SER 167.A OG GLY 165.A O no hydrogen 3.465 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 3.150 N/A ARG 176.A NH1 GLU 182.A OE1 no hydrogen 3.522 N/A ARG 176.A NH1 GLU 248.A OE2 no hydrogen 3.483 N/A ARG 176.A NH2 GLU 248.A OE1 no hydrogen 2.369 N/A SER 177.A N LYS 180.A O no hydrogen 3.081 N/A HIS 179.A N SER 177.A OG no hydrogen 2.561 N/A LYS 180.A N SER 177.A O no hydrogen 3.147 N/A LYS 180.A NZ SER 175.A O no hydrogen 3.397 N/A GLN 181.A NE2 MET 247.A O no hydrogen 2.550 N/A THR 183.A OG1 THR 183.A O no hydrogen 2.609 N/A HIS 184.A N GLN 181.A O no hydrogen 2.769 N/A HIS 184.A ND1 THR 183.A O no hydrogen 2.765 N/A THR 185.A OG1 LEU 170.A O no hydrogen 2.986 N/A ALA 188.A N THR 185.A OG1 no hydrogen 3.397 N/A VAL 189.A N THR 185.A O no hydrogen 2.739 N/A LYS 190.A N MET 186.A O no hydrogen 2.723 N/A LEU 191.A N GLU 187.A O no hydrogen 3.269 N/A LEU 191.A N ALA 188.A O no hydrogen 3.007 N/A VAL 192.A N ALA 188.A O no hydrogen 3.184 N/A GLU 193.A N VAL 189.A O no hydrogen 2.949 N/A PHE 194.A N LYS 190.A O no hydrogen 3.280 N/A ASP 195.A N LEU 191.A O no hydrogen 2.679 N/A LEU 196.A N VAL 192.A O no hydrogen 2.364 N/A LYS 197.A N GLU 193.A O no hydrogen 2.522 N/A GLN 198.A N PHE 194.A O no hydrogen 2.287 N/A THR 199.A N ASP 195.A O no hydrogen 2.525 N/A THR 199.A OG1 TYR 54.A OH no hydrogen 3.330 N/A THR 199.A OG1 ASP 195.A O no hydrogen 2.910 N/A THR 199.A OG1 ASP 195.A OD2 no hydrogen 2.492 N/A LEU 200.A N LEU 196.A O no hydrogen 3.069 N/A THR 201.A N LYS 197.A O no hydrogen 2.784 N/A THR 201.A OG1 LYS 197.A O no hydrogen 2.402 N/A THR 201.A OG1 GLN 198.A O no hydrogen 2.530 N/A ARG 202.A N GLN 198.A O no hydrogen 2.846 N/A ARG 202.A NH2 GLN 53.A OE1 no hydrogen 3.439 N/A LEU 203.A N THR 199.A O no hydrogen 2.856 N/A MET 204.A N LEU 200.A O no hydrogen 2.883 N/A ALA 205.A N THR 201.A O no hydrogen 3.361 N/A HIS 206.A N ARG 202.A O no hydrogen 3.133 N/A LEU 207.A N LEU 203.A O no hydrogen 3.240 N/A PHE 208.A N MET 204.A O no hydrogen 2.857 N/A ARG 215.A N GLU 231.A O no hydrogen 3.408 N/A CYS 219.A N SER 227.A O no hydrogen 2.887 N/A CYS 219.A SG GLU 229.A OE2 no hydrogen 2.871 N/A THR 224.A N PHE 221.A O no hydrogen 3.284 N/A THR 224.A OG1 SER 227.A OG no hydrogen 2.913 N/A SER 227.A OG THR 224.A OG1 no hydrogen 2.913 N/A SER 227.A OG HIS 225.A O no hydrogen 2.642 N/A PHE 228.A N CYS 244.A O no hydrogen 2.893 N/A GLU 229.A N VAL 217.A O no hydrogen 2.920 N/A GLU 231.A N ARG 215.A O no hydrogen 3.248 N/A ILE 232.A N LEU 239.A O no hydrogen 2.377 N/A ASN 233.A N GLU 213.A O no hydrogen 2.867 N/A PHE 234.A N GLU 237.A O no hydrogen 3.374 N/A LEU 239.A N ILE 232.A O no hydrogen 2.716 N/A VAL 241.A N MET 230.A O no hydrogen 3.100 N/A LEU 242.A N MET 230.A O no hydrogen 3.434 N/A GLY 243.A N GLY 266.A O no hydrogen 3.340 N/A CYS 244.A N PHE 228.A O no hydrogen 3.220 N/A CYS 244.A SG PHE 228.A O no hydrogen 3.437 N/A GLY 245.A N ALA 264.A O no hydrogen 3.432 N/A MET 247.A N GLY 262.A O no hydrogen 2.603 N/A GLU 248.A N PHE 223.A O no hydrogen 3.372 N/A GLN 249.A N GLN 181.A OE1 no hydrogen 2.949 N/A GLN 249.A NE2 ARG 260.A O no hydrogen 3.102 N/A VAL 252.A N GLU 248.A O no hydrogen 3.240 N/A ASN 253.A N GLN 249.A O no hydrogen 2.734 N/A SER 254.A N GLN 250.A O no hydrogen 2.987 N/A SER 254.A OG LEU 251.A O no hydrogen 2.506 N/A ALA 255.A N LEU 251.A O no hydrogen 3.209 N/A GLN 258.A N GLN 258.A OE1 no hydrogen 2.548 N/A TRP 263.A N ARG 151.A O no hydrogen 3.055 N/A ALA 264.A N GLY 245.A O no hydrogen 3.158 N/A PHE 265.A N ALA 149.A O no hydrogen 2.940 N/A GLY 266.A N GLY 243.A O no hydrogen 3.192 N/A LEU 267.A N LEU 147.A O no hydrogen 2.608 N/A GLY 268.A N VAL 241.A O no hydrogen 3.264 N/A GLU 270.A N GLU 270.A OE1 no hydrogen 2.550 N/A ARG 271.A NH1 GLU 240.A OE1 no hydrogen 3.032 N/A LEU 272.A N GLY 268.A O no hydrogen 2.970 N/A ALA 273.A N LEU 269.A O no hydrogen 2.862 N/A MET 274.A N ARG 271.A O no hydrogen 3.057 N/A ILE 275.A N LEU 272.A O no hydrogen 2.743 N/A LEU 276.A N LEU 272.A O no hydrogen 3.051 N/A ASP 278.A N ILE 275.A O no hydrogen 3.182 N/A ILE 279.A N MET 274.A O no hydrogen 3.153 N/A LEU 284.A N ASP 281.A O no hydrogen 2.831 N/A PHE 285.A N ILE 282.A O no hydrogen 2.783 N/A TRP 286.A N ARG 283.A O no hydrogen 2.665 N/A CYS 287.A N LEU 284.A O no hydrogen 2.467 N/A ARG 291.A NE GLU 347.A OE1 no hydrogen 3.278 N/A PHE 292.A N ASP 289.A O no hydrogen 2.708 N/A LYS 294.A N GLU 290.A O no hydrogen 3.221 N/A GLN 295.A N PHE 292.A O no hydrogen 2.745 N/A GLN 295.A NE2 ARG 291.A O no hydrogen 2.933 N/A GLN 295.A NE2 GLN 308.A O no hydrogen 2.950 N/A CYS 297.A SG LYS 294.A O no hydrogen 3.311 N/A GLN 303.A N ASN 300.A O no hydrogen 2.996 N/A GLN 303.A NE2 LYS 304.A O no hydrogen 2.576 N/A LYS 304.A NZ PHE 208.A O no hydrogen 3.235 N/A PHE 307.A N TYR 277.A O no hydrogen 2.967 N/A GLN 308.A N GLN 295.A OE1 no hydrogen 2.431 N/A SER 311.A OG HIS 373.A O no hydrogen 2.602 N/A VAL 316.A N TYR 371.A O no hydrogen 2.876 N/A ASN 318.A N ILE 369.A O no hydrogen 3.067 N/A ASN 318.A ND2 ILE 317.A O no hydrogen 2.587 N/A ASN 318.A ND2 GLN 380.A OE1 no hydrogen 3.430 N/A ILE 320.A N TYR 367.A O no hydrogen 3.170 N/A PHE 322.A N HIS 365.A O no hydrogen 3.223 N/A TRP 323.A N GLU 401.A O no hydrogen 2.802 N/A LEU 324.A N THR 363.A O no hydrogen 2.520 N/A ASN 328.A N SER 326.A O no hydrogen 2.873 N/A TYR 329.A OH TYR 367.A OH no hydrogen 3.188 N/A ASP 333.A N ALA 330.A O no hydrogen 2.894 N/A PHE 334.A N GLU 331.A O no hydrogen 2.631 N/A TYR 335.A N GLU 331.A O no hydrogen 3.084 N/A LEU 337.A N ASP 333.A O no hydrogen 3.339 N/A VAL 338.A N PHE 334.A O no hydrogen 3.413 N/A ARG 339.A N TYR 335.A O no hydrogen 3.259 N/A THR 340.A N LEU 337.A O no hydrogen 3.151 N/A THR 340.A OG1 ASP 336.A O no hydrogen 2.587 N/A ILE 341.A N LEU 337.A O no hydrogen 2.495 N/A LYS 348.A N VAL 346.A O no hydrogen 2.536 N/A ASP 350.A N ARG 368.A O no hydrogen 3.163 N/A ILE 352.A N CYS 366.A O no hydrogen 2.731 N/A LYS 354.A NZ HIS 365.A NE2 no hydrogen 2.976 N/A PHE 355.A N SER 364.A O no hydrogen 3.175 N/A HIS 357.A N LYS 362.A O no hydrogen 3.208 N/A LYS 362.A N THR 360.A OG1 no hydrogen 2.833 N/A SER 364.A N PHE 355.A O no hydrogen 2.888 N/A HIS 365.A N PHE 322.A O no hydrogen 3.101 N/A HIS 365.A ND1 TYR 367.A OH no hydrogen 2.668 N/A CYS 366.A N ASP 353.A O no hydrogen 3.198 N/A TYR 367.A N ILE 320.A O no hydrogen 3.134 N/A TYR 367.A OH TYR 329.A OH no hydrogen 3.188 N/A TYR 367.A OH GLU 331.A OE1 no hydrogen 2.276 N/A TYR 367.A OH HIS 365.A ND1 no hydrogen 2.668 N/A ARG 368.A N ASP 350.A O no hydrogen 2.567 N/A ILE 369.A N ASN 318.A O no hydrogen 3.017 N/A THR 370.A N LYS 348.A O no hydrogen 3.208 N/A THR 370.A OG1 LYS 348.A O no hydrogen 2.500 N/A TYR 371.A N VAL 316.A O no hydrogen 3.232 N/A TYR 371.A OH HIS 387.A ND1 no hydrogen 2.514 N/A ARG 372.A N LEU 345.A O no hydrogen 3.384 N/A ARG 372.A NE TYR 313.A O no hydrogen 2.959 N/A ARG 372.A NH1 GLU 347.A OE2 no hydrogen 3.046 N/A GLU 375.A N HIS 373.A ND1 no hydrogen 2.614 N/A ARG 376.A N HIS 373.A ND1 no hydrogen 3.409 N/A GLU 382.A N SER 379.A OG no hydrogen 2.926 N/A VAL 383.A N SER 379.A O no hydrogen 2.976 N/A ARG 384.A N GLN 380.A O no hydrogen 2.976 N/A ILE 386.A N VAL 383.A O no hydrogen 2.393 N/A HIS 387.A ND1 TYR 371.A OH no hydrogen 2.514 N/A GLN 388.A N ARG 384.A O no hydrogen 2.530 N/A GLN 388.A NE2 GLN 391.A OE1 no hydrogen 3.532 N/A ALA 389.A N HIS 385.A O no hydrogen 2.684 N/A LEU 390.A N HIS 387.A O no hydrogen 2.809 N/A GLN 391.A N HIS 387.A O no hydrogen 3.194 N/A GLN 391.A N GLN 388.A O no hydrogen 2.750 N/A GLU 392.A N GLN 388.A O no hydrogen 3.299 N/A ALA 393.A N LEU 390.A O no hydrogen 3.347 N/A ALA 394.A N LEU 390.A O no hydrogen 2.557 N/A GLN 396.A NE2 GLU 392.A OE2 no hydrogen 2.943 N/A LEU 397.A N ALA 393.A O no hydrogen 3.183 N/A LEU 398.A N VAL 395.A O no hydrogen 2.931 N/A GLY 399.A N VAL 395.A O no hydrogen 2.638 N/A GLU 401.A N TRP 323.A O no hydrogen 3.230 N/A ARG 403.A NE SER 364.A OG no hydrogen 2.740 N/A PHE 404.A N GLY 402.A O no hydrogen 2.641 N/A