Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6s6u_G.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N GLN 1.A OE1 no hydrogen 2.696 N/A GLN 1.A NE2 ASN 39.A OD1 no hydrogen 3.685 N/A LEU 4.A N ARG 2.A O no hydrogen 2.984 N/A GLY 5.A N ASN 43.A O no hydrogen 3.218 N/A THR 9.A OG1 GLY 5.A O no hydrogen 2.457 N/A ARG 17.A N ILE 29.A O no hydrogen 3.274 N/A ARG 17.A NH2 ASP 25.A OD2 no hydrogen 2.840 N/A GLU 21.A N PRO 18.A O no hydrogen 3.333 N/A ARG 22.A N PRO 18.A O no hydrogen 3.183 N/A ARG 22.A NE PRO 18.A O no hydrogen 3.197 N/A ARG 22.A NH2 GLU 337.A OE1 no hydrogen 3.147 N/A GLU 36.A N GLU 36.A OE2 no hydrogen 2.719 N/A ARG 37.A N SER 34.A O no hydrogen 3.066 N/A ALA 38.A N SER 34.A O no hydrogen 2.807 N/A ASN 39.A N ASP 35.A O no hydrogen 2.926 N/A GLU 40.A N ARG 37.A O no hydrogen 3.245 N/A GLN 41.A N ARG 37.A O no hydrogen 2.879 N/A GLN 41.A NE2 ALA 10.A O no hydrogen 3.363 N/A ALA 42.A N ALA 38.A O no hydrogen 2.931 N/A ASN 43.A N GLU 40.A O no hydrogen 3.027 N/A ASN 43.A ND2 SER 71.A OG no hydrogen 2.825 N/A ARG 44.A NH2 ALA 115.A O no hydrogen 3.475 N/A CYS 45.A SG GLN 47.A OE1 no hydrogen 3.914 N/A GLN 54.A N PRO 51.A O no hydrogen 3.092 N/A GLN 54.A NE2 ASN 62.A OD1 no hydrogen 3.619 N/A VAL 55.A N PRO 51.A O no hydrogen 3.382 N/A CYS 57.A N GLN 54.A O no hydrogen 3.256 N/A CYS 57.A SG ASN 61.A OD1 no hydrogen 3.267 N/A SER 60.A N CYS 57.A O no hydrogen 2.673 N/A SER 60.A OG VAL 59.A O no hydrogen 2.680 N/A SER 60.A OG SER 60.A O no hydrogen 2.363 N/A ILE 63.A N ASN 61.A O no hydrogen 2.779 N/A ASP 65.A N ASN 62.A O no hydrogen 3.141 N/A TRP 66.A N ASN 62.A O no hydrogen 3.500 N/A LEU 67.A N ILE 63.A O no hydrogen 2.934 N/A LYS 68.A N PRO 64.A O no hydrogen 2.872 N/A LYS 68.A N ASP 65.A O no hydrogen 3.207 N/A LEU 69.A N ASP 65.A O no hydrogen 2.912 N/A THR 70.A OG1 TRP 66.A O no hydrogen 2.422 N/A GLY 73.A N THR 70.A O no hydrogen 3.279 N/A ARG 74.A NE GLU 77.A OE1 no hydrogen 2.694 N/A ARG 74.A NH1 GLU 77.A OE1 no hydrogen 3.104 N/A ARG 74.A NH1 GLU 77.A OE2 no hydrogen 2.891 N/A ALA 78.A N ARG 74.A O no hydrogen 3.371 N/A TYR 79.A N LEU 75.A O no hydrogen 2.897 N/A TYR 79.A OH GLN 83.A OE1 no hydrogen 3.089 N/A GLU 80.A N GLU 76.A O no hydrogen 2.934 N/A VAL 81.A N GLU 77.A O no hydrogen 2.919 N/A SER 82.A N ALA 78.A O no hydrogen 2.939 N/A SER 82.A OG ASN 126.A OD1 no hydrogen 3.123 N/A GLN 83.A N TYR 79.A O no hydrogen 2.858 N/A GLN 83.A NE2 GLN 83.A O no hydrogen 3.334 N/A GLN 83.A NE2 ASN 87.A O no hydrogen 3.426 N/A ALA 84.A N GLU 80.A O no hydrogen 2.941 N/A THR 85.A N SER 82.A O no hydrogen 3.527 N/A THR 85.A OG1 THR 85.A O no hydrogen 2.480 N/A ASN 86.A N GLN 83.A O no hydrogen 3.519 N/A CYS 92.A N PHE 88.A O no hydrogen 3.292 N/A CYS 92.A SG PHE 88.A O no hydrogen 3.213 N/A GLY 93.A N PRO 89.A O no hydrogen 2.886 N/A ARG 94.A N GLU 90.A O no hydrogen 2.915 N/A ARG 94.A N ILE 91.A O no hydrogen 3.162 N/A ILE 95.A N ILE 91.A O no hydrogen 2.954 N/A ILE 95.A N CYS 92.A O no hydrogen 3.235 N/A CYS 96.A N CYS 92.A O no hydrogen 2.750 N/A GLN 98.A NE2 CYS 96.A O no hydrogen 3.385 N/A LEU 101.A N GLN 98.A O no hydrogen 3.338 N/A ASN 105.A N CYS 102.A O no hydrogen 3.419 N/A ASN 105.A ND2 LEU 101.A O no hydrogen 3.421 N/A GLU 109.A N CYS 106.A O no hydrogen 2.797 N/A GLN 110.A N CYS 106.A O no hydrogen 3.417 N/A GLN 110.A NE2 ASN 105.A O no hydrogen 3.327 N/A SER 111.A OG VAL 107.A O no hydrogen 3.396 N/A THR 112.A N GLU 109.A O no hydrogen 3.051 N/A THR 112.A OG1 SER 111.A O no hydrogen 2.462 N/A HIS 113.A N ILE 108.A O no hydrogen 3.159 N/A THR 117.A OG1 THR 117.A O no hydrogen 2.528 N/A ILE 118.A N GLU 103.A OE2 no hydrogen 3.026 N/A GLU 122.A N ILE 118.A O no hydrogen 2.896 N/A LYS 123.A N GLY 119.A O no hydrogen 2.931 N/A TYR 124.A N SER 120.A O no hydrogen 2.896 N/A TYR 124.A OH ASP 35.A OD2 no hydrogen 2.691 N/A ILE 125.A N VAL 121.A O no hydrogen 2.904 N/A ASN 126.A N GLU 122.A O no hydrogen 2.978 N/A ASN 126.A N LYS 123.A O no hydrogen 3.336 N/A ASP 127.A N LYS 123.A O no hydrogen 2.881 N/A THR 128.A N TYR 124.A O no hydrogen 3.138 N/A GLN 132.A N ALA 129.A O no hydrogen 3.351 N/A GLY 133.A N TRP 130.A O no hydrogen 3.202 N/A TRP 134.A N ALA 129.A O no hydrogen 3.057 N/A ARG 138.A NH1 GLU 163.A OE2 no hydrogen 3.187 N/A LEU 144.A N GLY 168.A O no hydrogen 2.998 N/A VAL 148.A N GLU 170.A O no hydrogen 2.690 N/A GLY 149.A N ALA 233.A O no hydrogen 2.933 N/A VAL 150.A N HIS 172.A O no hydrogen 3.096 N/A ILE 151.A N LEU 235.A O no hydrogen 2.901 N/A GLY 152.A N TYR 174.A O no hydrogen 2.787 N/A LEU 158.A N GLY 154.A O no hydrogen 2.870 N/A ALA 159.A N PRO 155.A O no hydrogen 2.907 N/A ALA 160.A N ALA 156.A O no hydrogen 2.939 N/A ALA 161.A N GLY 157.A O no hydrogen 2.882 N/A GLU 162.A N LEU 158.A O no hydrogen 2.904 N/A GLU 163.A N ALA 159.A O no hydrogen 2.973 N/A LEU 164.A N ALA 160.A O no hydrogen 2.894 N/A ARG 165.A N ALA 161.A O no hydrogen 2.911 N/A ARG 165.A NE ALA 208.A O no hydrogen 3.560 N/A ARG 165.A NH1 TYR 169.A O no hydrogen 2.837 N/A ALA 166.A N GLU 162.A O no hydrogen 2.911 N/A LYS 167.A N GLU 163.A O no hydrogen 2.938 N/A LYS 167.A NZ GLU 460.A OE2 no hydrogen 3.360 N/A GLY 168.A N LEU 164.A O no hydrogen 3.213 N/A TYR 169.A N LEU 164.A O no hydrogen 3.357 N/A TYR 169.A OH HIS 463.A ND1 no hydrogen 2.856 N/A GLU 170.A N LEU 146.A O no hydrogen 3.090 N/A HIS 172.A N VAL 148.A O no hydrogen 3.130 N/A HIS 172.A ND1 HIS 213.A NE2 no hydrogen 3.058 N/A HIS 172.A NE2 GLU 170.A OE2 no hydrogen 3.010 N/A VAL 173.A N ILE 211.A O no hydrogen 3.142 N/A ASP 175.A N HIS 213.A O no hydrogen 3.521 N/A VAL 185.A N GLY 182.A O no hydrogen 2.926 N/A TYR 186.A OH ASP 178.A OD1 no hydrogen 2.693 N/A GLY 187.A N LEU 183.A O no hydrogen 2.854 N/A ILE 188.A N LEU 183.A O no hydrogen 2.983 N/A LYS 192.A NZ GLU 331.A OE1 no hydrogen 3.537 N/A LEU 193.A N PRO 189.A O no hydrogen 3.462 N/A GLU 194.A N GLU 28.A OE2 no hydrogen 3.146 N/A LYS 195.A NZ LEU 184.A O no hydrogen 2.866 N/A LYS 195.A NZ ILE 188.A O no hydrogen 2.454 N/A ARG 200.A N SER 196.A O no hydrogen 2.927 N/A ARG 201.A N VAL 197.A O no hydrogen 2.942 N/A ARG 201.A NE GLU 90.A OE2 no hydrogen 3.092 N/A ARG 201.A NH1 GLU 90.A OE1 no hydrogen 3.231 N/A ARG 201.A NH1 GLU 90.A OE2 no hydrogen 2.338 N/A VAL 202.A N VAL 198.A O no hydrogen 2.941 N/A LYS 203.A N GLU 199.A O no hydrogen 2.861 N/A LEU 204.A N ARG 200.A O no hydrogen 2.963 N/A LEU 205.A N ARG 201.A O no hydrogen 2.923 N/A ALA 206.A N VAL 202.A O no hydrogen 2.892 N/A ASP 207.A N LYS 203.A O no hydrogen 2.896 N/A ALA 208.A N LEU 204.A O no hydrogen 2.947 N/A GLY 209.A N ALA 206.A O no hydrogen 3.268 N/A TYR 212.A OH VAL 202.A O no hydrogen 2.723 N/A HIS 213.A NE2 HIS 172.A ND1 no hydrogen 3.058 N/A ASN 215.A N TYR 177.A O no hydrogen 3.069 N/A PHE 216.A N ASP 175.A O no hydrogen 3.107 N/A GLU 217.A N ASP 221.A OD2 no hydrogen 3.409 N/A ASP 221.A N GLU 217.A O no hydrogen 3.002 N/A GLU 226.A N SER 223.A OG no hydrogen 3.309 N/A LEU 227.A N SER 223.A O no hydrogen 3.229 N/A ARG 228.A N LEU 224.A O no hydrogen 2.906 N/A ARG 229.A N PRO 225.A O no hydrogen 2.910 N/A LYS 230.A N GLU 226.A O no hydrogen 2.922 N/A HIS 231.A N LEU 227.A O no hydrogen 3.393 N/A VAL 232.A N SER 147.A O no hydrogen 2.872 N/A LEU 235.A N GLY 149.A O no hydrogen 2.874 N/A VAL 236.A N PHE 436.A O no hydrogen 2.641 N/A ALA 237.A N ILE 151.A O no hydrogen 2.993 N/A ARG 244.A NE GLU 400.A OE2 no hydrogen 2.411 N/A SER 251.A N ALA 248.A O no hydrogen 2.977 N/A SER 251.A OG ILE 246.A O no hydrogen 3.012 N/A SER 251.A OG SER 251.A O no hydrogen 2.317 N/A GLY 254.A N THR 355.A O no hydrogen 2.798 N/A VAL 257.A N VAL 393.A O no hydrogen 3.377 N/A TYR 262.A OH GLN 309.A OE1 no hydrogen 3.058 N/A LEU 263.A N ALA 259.A O no hydrogen 2.945 N/A THR 264.A N LEU 260.A O no hydrogen 2.871 N/A THR 264.A OG1 LEU 260.A O no hydrogen 2.562 N/A THR 265.A N ASP 261.A O no hydrogen 2.917 N/A THR 265.A OG1 ASP 261.A O no hydrogen 2.775 N/A THR 265.A OG1 TYR 262.A O no hydrogen 2.706 N/A SER 266.A N TYR 262.A O no hydrogen 2.921 N/A SER 266.A OG THR 305.A OG1 no hydrogen 3.263 N/A ASN 267.A N LEU 263.A O no hydrogen 2.913 N/A LYS 268.A N THR 264.A O no hydrogen 2.900 N/A VAL 269.A N THR 265.A O no hydrogen 2.912 N/A SER 270.A N SER 266.A O no hydrogen 2.903 N/A LEU 271.A N ASN 267.A O no hydrogen 2.925 N/A GLY 272.A N LYS 268.A O no hydrogen 2.423 N/A GLU 276.A N GLU 276.A OE2 no hydrogen 2.802 N/A TYR 278.A N VAL 275.A O no hydrogen 3.280 N/A GLU 279.A N GLU 276.A O no hydrogen 3.113 N/A ASN 280.A N GLU 276.A O no hydrogen 3.223 N/A VAL 290.A N SER 313.A O no hydrogen 2.954 N/A VAL 291.A N LEU 392.A O no hydrogen 2.930 N/A VAL 292.A N LYS 315.A O no hydrogen 3.130 N/A LEU 293.A N ILE 394.A O no hydrogen 2.908 N/A MET 300.A N GLY 296.A O no hydrogen 3.196 N/A ASP 301.A N ASP 297.A O no hydrogen 2.901 N/A CYS 302.A N THR 298.A O no hydrogen 2.948 N/A CYS 302.A SG THR 298.A O no hydrogen 3.305 N/A VAL 303.A N ALA 299.A O no hydrogen 2.870 N/A ARG 304.A N MET 300.A O no hydrogen 2.970 N/A ARG 304.A NH2 GLU 338.A OE2 no hydrogen 3.484 N/A THR 305.A N ASP 301.A O no hydrogen 2.923 N/A THR 305.A OG1 SER 266.A OG no hydrogen 3.263 N/A ALA 306.A N CYS 302.A O no hydrogen 2.899 N/A ILE 307.A N VAL 303.A O no hydrogen 2.943 N/A ARG 308.A N ARG 304.A O no hydrogen 2.955 N/A ARG 308.A NH1 GLU 338.A OE1 no hydrogen 2.972 N/A GLN 309.A N ALA 306.A O no hydrogen 3.137 N/A ALA 311.A N ALA 286.A O no hydrogen 2.760 N/A LYS 315.A N VAL 290.A O no hydrogen 3.073 N/A CYS 316.A SG GLY 294.A O no hydrogen 3.929 N/A LEU 317.A N VAL 292.A O no hydrogen 3.226 N/A TYR 318.A N ILE 343.A O no hydrogen 3.366 N/A ARG 322.A NH1 GLN 329.A OE1 no hydrogen 3.433 N/A ARG 322.A NH2 GLU 336.A OE1 no hydrogen 3.503 N/A MET 325.A N ARG 322.A O no hydrogen 3.174 N/A ARG 330.A NH1 GLU 103.A OE1 no hydrogen 3.327 N/A ALA 333.A N GLN 329.A O no hydrogen 3.486 N/A HIS 334.A N ARG 330.A O no hydrogen 2.922 N/A ALA 335.A N GLU 331.A O no hydrogen 2.896 N/A GLU 336.A N VAL 332.A O no hydrogen 2.913 N/A GLU 337.A N ALA 333.A O no hydrogen 2.910 N/A GLU 338.A N HIS 334.A O no hydrogen 2.932 N/A GLU 338.A N ALA 335.A O no hydrogen 3.264 N/A GLY 339.A N ALA 335.A O no hydrogen 3.255 N/A VAL 340.A N ALA 335.A O no hydrogen 3.026 N/A ILE 343.A N CYS 316.A O no hydrogen 3.109 N/A GLN 345.A N ARG 320.A O no hydrogen 3.015 N/A ALA 346.A N TYR 318.A O no hydrogen 2.838 N/A ALA 347.A N VAL 363.A O no hydrogen 3.336 N/A GLU 349.A N ARG 361.A O no hydrogen 2.803 N/A GLY 350.A N ARG 361.A O no hydrogen 2.934 N/A PHE 351.A N PRO 249.A O no hydrogen 3.009 N/A THR 352.A N GLY 359.A O no hydrogen 2.866 N/A THR 358.A N THR 352.A O no hydrogen 2.696 N/A THR 358.A OG1 THR 352.A O no hydrogen 2.377 N/A GLY 359.A N THR 352.A O no hydrogen 2.944 N/A VAL 360.A N VAL 388.A O no hydrogen 2.911 N/A ARG 361.A N GLY 350.A O no hydrogen 2.876 N/A ALA 362.A N PHE 386.A O no hydrogen 2.889 N/A VAL 363.A N ALA 347.A O no hydrogen 2.982 N/A ILE 365.A N GLN 345.A O no hydrogen 3.308 N/A HIS 366.A N GLN 379.A O no hydrogen 2.879 N/A GLY 368.A N THR 377.A O no hydrogen 3.351 N/A THR 373.A N ASP 371.A OD1 no hydrogen 2.715 N/A THR 373.A OG1 ASP 371.A OD1 no hydrogen 2.984 N/A GLY 374.A N ASP 371.A O no hydrogen 2.824 N/A ARG 375.A NE GLN 376.A O no hydrogen 3.635 N/A GLN 379.A N HIS 366.A O no hydrogen 2.926 N/A GLN 379.A NE2 HIS 366.A ND1 no hydrogen 3.455 N/A ILE 381.A N ARG 364.A O no hydrogen 3.422 N/A SER 384.A OG ARG 364.A O no hydrogen 3.255 N/A SER 384.A OG SER 384.A O no hydrogen 2.393 N/A PHE 386.A N ALA 362.A O no hydrogen 2.946 N/A THR 387.A OG1 VAL 360.A O no hydrogen 3.411 N/A VAL 388.A N VAL 360.A O no hydrogen 2.893 N/A ALA 390.A N THR 358.A O no hydrogen 3.187 N/A ASP 391.A N HIS 289.A O no hydrogen 2.893 N/A LEU 392.A N HIS 289.A O no hydrogen 2.905 N/A VAL 393.A N ASN 255.A O no hydrogen 3.455 N/A ILE 394.A N VAL 291.A O no hydrogen 2.910 N/A LYS 395.A N VAL 257.A O no hydrogen 3.192 N/A ALA 396.A N LEU 293.A O no hydrogen 3.214 N/A GLU 400.A N LYS 242.A O no hydrogen 2.616 N/A ALA 407.A N LEU 404.A O no hydrogen 3.073 N/A PHE 408.A N LEU 404.A O no hydrogen 2.982 N/A ARG 417.A N THR 416.A OG1 no hydrogen 2.596 N/A LEU 422.A N LYS 414.A O no hydrogen 3.287 N/A ASP 424.A N MET 429.A O no hydrogen 3.171 N/A THR 427.A N ASP 424.A OD2 no hydrogen 3.316 N/A THR 427.A OG1 ASP 424.A OD1 no hydrogen 3.101 N/A THR 427.A OG1 ASP 424.A OD2 no hydrogen 2.259 N/A MET 429.A N ASP 424.A OD1 no hydrogen 2.367 N/A THR 430.A OG1 LEU 422.A O no hydrogen 3.533 N/A ASN 431.A N THR 430.A OG1 no hydrogen 2.490 N/A PHE 436.A N VAL 234.A O no hydrogen 2.834 N/A ARG 443.A N ASP 440.A O no hydrogen 3.267 N/A ARG 443.A NE ASP 454.A OD2 no hydrogen 2.853 N/A ARG 443.A NH2 ASP 454.A OD1 no hydrogen 3.403 N/A GLY 444.A N ASP 440.A O no hydrogen 3.001 N/A SER 446.A OG ASP 440.A OD2 no hydrogen 3.221 N/A SER 446.A OG LEU 447.A O no hydrogen 3.189 N/A ILE 452.A N VAL 448.A O no hydrogen 2.931 N/A ARG 453.A N VAL 449.A O no hydrogen 2.952 N/A ASP 454.A N TRP 450.A O no hydrogen 2.922 N/A GLY 455.A N ALA 451.A O no hydrogen 2.881 N/A ARG 456.A N ILE 452.A O no hydrogen 2.959 N/A ASP 457.A N ARG 453.A O no hydrogen 2.966 N/A ALA 458.A N ASP 454.A O no hydrogen 2.917 N/A ALA 459.A N GLY 455.A O no hydrogen 2.883 N/A GLU 460.A N ARG 456.A O no hydrogen 3.005 N/A GLY 461.A N ASP 457.A O no hydrogen 2.973 N/A ILE 462.A N ALA 458.A O no hydrogen 2.844 N/A HIS 463.A N ALA 459.A O no hydrogen 2.960 N/A ALA 464.A N GLU 460.A O no hydrogen 2.985 N/A TYR 465.A N GLY 461.A O no hydrogen 2.937 N/A ALA 466.A N ILE 462.A O no hydrogen 2.846 N/A LYS 467.A N HIS 463.A O no hydrogen 2.975 N/A ALA 468.A N ALA 464.A O no hydrogen 2.952 N/A LYS 469.A N TYR 465.A O no hydrogen 2.907 N/A ALA 470.A N ALA 466.A O no hydrogen 2.881 N/A GLU 471.A N LYS 467.A O no hydrogen 2.947 N/A ALA 472.A N LYS 469.A O no hydrogen 3.261 N/A