Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u2q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N GLU 1.A OE2 no hydrogen 2.604 N/A LYS 4.A NZ ASP 62.A OD2 no hydrogen 2.778 N/A LYS 4.A NZ THR 63.A O no hydrogen 2.907 N/A VAL 7.A N HIS 67.A O no hydrogen 3.021 N/A ASN 8.A N ASP 91.A OD2 no hydrogen 2.486 N/A ASN 8.A ND2 ASP 91.A OD2 no hydrogen 3.401 N/A VAL 9.A N ALA 69.A O no hydrogen 2.740 N/A THR 11.A N VAL 71.A O no hydrogen 2.934 N/A THR 11.A OG1 VAL 71.A O no hydrogen 3.123 N/A ILE 12.A N ILE 94.A O no hydrogen 2.903 N/A GLY 13.A N HIS 110.A ND1 no hydrogen 2.945 N/A HIS 14.A N THR 107.A OG1 no hydrogen 3.237 N/A HIS 17.A ND1 VAL 15.A O no hydrogen 3.202 N/A HIS 17.A NE2 GLY 102.A O no hydrogen 3.318 N/A LYS 19.A NZ GLY 13.A O no hydrogen 3.418 N/A THR 20.A OG1 ASP 45.A OD1 no hydrogen 3.470 N/A THR 20.A OG1 ASP 72.A OD1 no hydrogen 2.642 N/A LEU 22.A N GLY 18.A O no hydrogen 2.777 N/A THR 23.A N LYS 19.A O no hydrogen 3.096 N/A THR 23.A OG1 LYS 19.A O no hydrogen 2.718 N/A THR 23.A OG1 ASP 72.A OD1 no hydrogen 3.031 N/A ALA 24.A N THR 20.A O no hydrogen 3.466 N/A ALA 25.A N THR 21.A O no hydrogen 2.978 N/A ILE 26.A N LEU 22.A O no hydrogen 2.746 N/A THR 27.A N THR 23.A O no hydrogen 3.004 N/A THR 27.A OG1 THR 23.A O no hydrogen 3.413 N/A THR 27.A OG1 ALA 24.A O no hydrogen 2.671 N/A THR 27.A OG1 ARG 39.A O no hydrogen 2.791 N/A THR 28.A N ALA 24.A O no hydrogen 2.988 N/A THR 28.A OG1 ARG 39.A O no hydrogen 3.352 N/A VAL 29.A N ALA 25.A O no hydrogen 2.992 N/A LEU 30.A N ILE 26.A O no hydrogen 2.874 N/A ALA 31.A N THR 27.A O no hydrogen 2.698 N/A LYS 32.A N THR 28.A O no hydrogen 2.772 N/A LYS 32.A NZ GLU 177.A OE1 no hydrogen 3.444 N/A LYS 32.A NZ GLU 177.A OE2 no hydrogen 2.482 N/A THR 33.A N VAL 29.A O no hydrogen 3.067 N/A THR 33.A OG1 VAL 29.A O no hydrogen 2.965 N/A TYR 34.A N LEU 30.A O no hydrogen 2.888 N/A ARG 39.A N THR 27.A OG1 no hydrogen 2.965 N/A ARG 39.A NE GLN 43.A O no hydrogen 3.288 N/A GLN 43.A N ALA 40.A O no hydrogen 3.236 N/A ILE 44.A N PHE 41.A O no hydrogen 2.648 N/A ASP 45.A N PHE 41.A O no hydrogen 3.099 N/A ASN 46.A ND2 GLN 43.A OE1 no hydrogen 2.730 N/A ASN 55.A N ASP 78.A OD1 no hydrogen 2.841 N/A ASN 55.A ND2 ASP 78.A OD2 no hydrogen 3.056 N/A SER 57.A N ASP 72.A O no hydrogen 3.088 N/A SER 57.A OG ILE 44.A O no hydrogen 3.024 N/A SER 57.A OG ASN 46.A O no hydrogen 2.680 N/A VAL 59.A N HIS 70.A O no hydrogen 3.222 N/A TYR 61.A N TYR 68.A O no hydrogen 3.022 N/A THR 63.A N ARG 66.A O no hydrogen 2.870 N/A THR 63.A OG1 ARG 66.A O no hydrogen 3.191 N/A THR 63.A OG1 ASP 188.A OD1 no hydrogen 3.131 N/A THR 63.A OG1 ASP 188.A OD2 no hydrogen 3.476 N/A ARG 66.A N THR 63.A O no hydrogen 3.145 N/A ARG 66.A N THR 63.A OG1 no hydrogen 3.151 N/A ARG 66.A NH1 TYR 68.A OH no hydrogen 3.130 N/A ARG 66.A NH1 ILE 191.A O no hydrogen 2.814 N/A ARG 66.A NH2 ILE 191.A O no hydrogen 2.589 N/A HIS 67.A N PRO 5.A O no hydrogen 3.021 N/A HIS 67.A ND1 ASP 62.A OD1 no hydrogen 2.972 N/A TYR 68.A N TYR 61.A O no hydrogen 2.794 N/A TYR 68.A OH ASP 188.A OD1 no hydrogen 2.543 N/A ALA 69.A N VAL 7.A O no hydrogen 2.982 N/A HIS 70.A N VAL 59.A O no hydrogen 2.879 N/A VAL 71.A N VAL 9.A O no hydrogen 3.027 N/A CYS 73.A N TYR 79.A OH no hydrogen 2.750 N/A CYS 73.A SG ASN 55.A O no hydrogen 3.550 N/A CYS 73.A SG THR 56.A OG1 no hydrogen 3.320 N/A GLY 75.A N ASP 78.A OD2 no hydrogen 3.386 N/A ASP 78.A N GLY 75.A O no hydrogen 2.872 N/A TYR 79.A OH THR 11.A O no hydrogen 2.609 N/A TYR 79.A OH CYS 73.A O no hydrogen 3.213 N/A VAL 80.A N HIS 76.A O no hydrogen 3.079 N/A LYS 81.A N ALA 77.A O no hydrogen 3.205 N/A LYS 81.A NZ THR 53.A O no hydrogen 3.103 N/A LYS 81.A NZ ASP 78.A OD1 no hydrogen 3.453 N/A ASN 82.A N ASP 78.A O no hydrogen 3.021 N/A ASN 82.A ND2 THR 56.A OG1 no hydrogen 2.962 N/A ASN 82.A ND2 ASP 78.A O no hydrogen 3.515 N/A MET 83.A N TYR 79.A O no hydrogen 2.819 N/A ILE 84.A N VAL 80.A O no hydrogen 2.976 N/A THR 85.A N LYS 81.A O no hydrogen 2.928 N/A THR 85.A OG1 LYS 81.A O no hydrogen 2.981 N/A GLY 86.A N ASN 82.A O no hydrogen 2.826 N/A ALA 87.A N THR 85.A OG1 no hydrogen 3.159 N/A ALA 88.A N ASN 82.A O no hydrogen 3.471 N/A ASP 91.A N ASN 8.A O no hydrogen 2.579 N/A GLY 92.A N ASN 8.A O no hydrogen 3.444 N/A ALA 93.A N TYR 121.A O no hydrogen 2.825 N/A ILE 94.A N GLY 10.A O no hydrogen 2.790 N/A LEU 95.A N ILE 123.A O no hydrogen 2.755 N/A VAL 96.A N ILE 12.A O no hydrogen 2.700 N/A ALA 99.A N ASN 127.A O no hydrogen 2.801 N/A THR 100.A OG1 ASP 101.A OD2 no hydrogen 3.261 N/A ASP 101.A N THR 100.A OG1 no hydrogen 2.639 N/A GLY 102.A N ALA 98.A O no hydrogen 2.723 N/A ARG 108.A N MET 104.A O no hydrogen 3.422 N/A ARG 108.A NH2 TYR 152.A OH no hydrogen 2.654 N/A GLU 109.A N PRO 105.A O no hydrogen 2.982 N/A HIS 110.A N GLN 106.A O no hydrogen 2.817 N/A ILE 111.A N THR 107.A O no hydrogen 3.094 N/A LEU 112.A N ARG 108.A O no hydrogen 2.813 N/A LEU 113.A N GLU 109.A O no hydrogen 2.870 N/A GLY 114.A N HIS 110.A O no hydrogen 2.810 N/A ARG 115.A N ILE 111.A O no hydrogen 3.121 N/A ARG 115.A N LEU 112.A O no hydrogen 2.836 N/A ARG 115.A NE TYR 152.A O no hydrogen 2.809 N/A GLN 116.A N LEU 112.A O no hydrogen 2.957 N/A GLN 116.A NE2 GLU 299.A OE1 no hydrogen 3.088 N/A VAL 117.A N LEU 113.A O no hydrogen 2.810 N/A ILE 123.A N ALA 93.A O no hydrogen 2.741 N/A VAL 124.A N PRO 160.A O no hydrogen 3.025 N/A PHE 125.A N LEU 95.A O no hydrogen 3.160 N/A ASN 127.A N VAL 97.A O no hydrogen 2.849 N/A ASN 127.A ND2 HIS 17.A O no hydrogen 3.031 N/A CYS 129.A N GLY 164.A O no hydrogen 2.950 N/A CYS 129.A SG LEU 126.A O no hydrogen 3.417 N/A MET 131.A N LYS 128.A O no hydrogen 3.081 N/A LEU 137.A N ASP 134.A OD1 no hydrogen 2.400 N/A LEU 140.A N LEU 137.A O no hydrogen 2.613 N/A VAL 141.A N LEU 137.A O no hydrogen 3.126 N/A GLU 144.A N LEU 140.A O no hydrogen 2.631 N/A ARG 146.A N GLU 142.A O no hydrogen 2.897 N/A ARG 146.A NH1 GLY 156.A O no hydrogen 2.866 N/A GLU 147.A N MET 143.A O no hydrogen 3.390 N/A LEU 148.A N GLU 144.A O no hydrogen 2.844 N/A LEU 149.A N VAL 145.A O no hydrogen 2.724 N/A SER 150.A N ARG 146.A O no hydrogen 3.052 N/A SER 150.A OG ARG 146.A O no hydrogen 2.623 N/A GLN 151.A N GLU 147.A O no hydrogen 2.958 N/A TYR 152.A N LEU 149.A O no hydrogen 3.188 N/A ASP 153.A N SER 150.A O no hydrogen 3.009 N/A PHE 154.A N LEU 149.A O no hydrogen 2.772 N/A GLY 156.A N PHE 154.A O no hydrogen 2.419 N/A ASP 158.A N PRO 155.A O no hydrogen 2.738 N/A THR 159.A OG1 PRO 155.A O no hydrogen 2.770 N/A VAL 162.A N VAL 124.A O no hydrogen 2.839 N/A ARG 163.A NE GLU 142.A OE2 no hydrogen 2.750 N/A ARG 163.A NH1 GLU 142.A OE2 no hydrogen 3.508 N/A GLY 164.A N LEU 126.A O no hydrogen 2.877 N/A ALA 166.A N ASN 127.A OD1 no hydrogen 2.863 N/A LEU 167.A N SER 165.A OG no hydrogen 3.297 N/A LYS 168.A N SER 165.A OG no hydrogen 3.013 N/A ALA 169.A N SER 165.A O no hydrogen 3.158 N/A GLU 171.A N LEU 167.A O no hydrogen 2.856 N/A GLY 172.A N LYS 168.A O no hydrogen 3.445 N/A ASP 173.A N LYS 168.A O no hydrogen 2.915 N/A TRP 176.A N ASP 173.A O no hydrogen 2.749 N/A GLU 177.A N ASP 173.A O no hydrogen 3.350 N/A ALA 178.A N ALA 174.A O no hydrogen 3.000 N/A LYS 179.A N TRP 176.A O no hydrogen 2.674 N/A LYS 179.A NZ ARG 163.A O no hydrogen 3.282 N/A LEU 181.A N GLU 177.A O no hydrogen 3.264 N/A GLU 182.A N ALA 178.A O no hydrogen 3.034 N/A LEU 183.A N LYS 179.A O no hydrogen 2.824 N/A ALA 184.A N ILE 180.A O no hydrogen 3.034 N/A GLY 185.A N LEU 181.A O no hydrogen 2.870 N/A GLY 185.A N GLU 182.A O no hydrogen 3.015 N/A PHE 186.A N GLU 182.A O no hydrogen 3.237 N/A LEU 187.A N LEU 183.A O no hydrogen 3.053 N/A ASP 188.A N ALA 184.A O no hydrogen 3.312 N/A SER 189.A N GLY 185.A O no hydrogen 2.789 N/A SER 189.A OG GLY 185.A O no hydrogen 2.892 N/A TYR 190.A N PHE 186.A O no hydrogen 2.519 N/A ILE 191.A N LEU 187.A O no hydrogen 3.212 N/A ASP 199.A N ARG 196.A O no hydrogen 2.454 N/A LYS 200.A N ALA 197.A O no hydrogen 3.174 N/A LEU 203.A N ARG 225.A O no hydrogen 3.207 N/A LEU 204.A N LEU 284.A O no hydrogen 2.822 N/A ILE 206.A N GLN 282.A O no hydrogen 3.152 N/A GLU 207.A N THR 220.A O no hydrogen 2.694 N/A ASP 208.A N THR 220.A OG1 no hydrogen 3.287 N/A PHE 210.A N VAL 218.A O no hydrogen 3.100 N/A SER 211.A OG GLY 216.A O no hydrogen 2.959 N/A ILE 212.A N GLY 216.A O no hydrogen 2.493 N/A GLY 216.A N ILE 212.A O no hydrogen 2.759 N/A THR 217.A N LEU 270.A O no hydrogen 3.284 N/A THR 217.A OG1 ILE 273.A O no hydrogen 2.529 N/A VAL 218.A N PHE 210.A O no hydrogen 2.875 N/A VAL 219.A N VAL 268.A O no hydrogen 2.866 N/A THR 220.A N ASP 208.A O no hydrogen 2.726 N/A THR 220.A OG1 ASP 208.A O no hydrogen 3.491 N/A GLY 221.A N VAL 266.A O no hydrogen 3.349 N/A VAL 223.A N GLU 264.A O no hydrogen 2.838 N/A GLU 224.A N LEU 203.A O no hydrogen 2.920 N/A ARG 225.A NE PRO 201.A O no hydrogen 2.707 N/A GLY 226.A N ALA 197.A O no hydrogen 2.945 N/A ILE 228.A N GLY 260.A O no hydrogen 2.850 N/A LYS 229.A N GLU 232.A OE1 no hydrogen 2.941 N/A VAL 230.A N ASP 258.A O no hydrogen 2.950 N/A GLY 231.A N CYS 247.A O no hydrogen 2.672 N/A GLU 232.A N LYS 229.A O no hydrogen 3.234 N/A VAL 234.A N SER 245.A O no hydrogen 2.705 N/A GLU 235.A N ALA 285.A O no hydrogen 2.994 N/A ILE 236.A N GLN 243.A O no hydrogen 2.996 N/A VAL 237.A N VAL 283.A O no hydrogen 3.142 N/A ILE 239.A N PRO 357.A O no hydrogen 2.649 N/A LYS 240.A N GLY 238.A O no hydrogen 2.479 N/A GLN 243.A N ILE 236.A O no hydrogen 3.287 N/A GLN 243.A NE2 GLU 277.A O no hydrogen 2.773 N/A LYS 244.A NZ GLU 235.A OE2 no hydrogen 2.804 N/A SER 245.A OG THR 246.A O no hydrogen 3.327 N/A SER 245.A OG ARG 271.A O no hydrogen 3.554 N/A CYS 247.A N GLU 232.A O no hydrogen 2.904 N/A CYS 247.A SG GLY 249.A O no hydrogen 3.577 N/A THR 248.A N LEU 269.A O no hydrogen 3.055 N/A GLU 251.A N GLY 267.A O no hydrogen 3.041 N/A MET 252.A N LYS 255.A O no hydrogen 2.858 N/A ARG 254.A NH2 GLU 251.A OE2 no hydrogen 3.180 N/A LYS 255.A N MET 252.A O no hydrogen 3.050 N/A LEU 257.A N VAL 250.A O no hydrogen 2.695 N/A GLY 260.A N ILE 228.A O no hydrogen 2.845 N/A ARG 261.A N GLU 264.A OE1 no hydrogen 3.019 N/A ARG 261.A NE GLU 259.A OE1 no hydrogen 2.965 N/A ARG 261.A NH2 GLU 259.A OE1 no hydrogen 2.537 N/A ALA 262.A N GLY 226.A O no hydrogen 3.230 N/A GLY 263.A N VAL 223.A O no hydrogen 2.979 N/A GLU 264.A N ARG 261.A O no hydrogen 2.910 N/A VAL 266.A N GLY 221.A O no hydrogen 2.995 N/A GLY 267.A N GLU 251.A O no hydrogen 2.858 N/A VAL 268.A N VAL 219.A O no hydrogen 2.966 N/A LEU 269.A N GLY 249.A O no hydrogen 3.045 N/A LEU 270.A N THR 217.A O no hydrogen 2.582 N/A ARG 271.A N THR 246.A O no hydrogen 3.287 N/A GLY 272.A N ARG 215.A O no hydrogen 2.883 N/A ILE 273.A N LEU 270.A O no hydrogen 3.208 N/A LYS 274.A N GLU 277.A OE2 no hydrogen 2.522 N/A LYS 274.A NZ GLY 272.A O no hydrogen 2.733 N/A ARG 275.A NH1 ARG 275.A O no hydrogen 2.930 N/A GLU 277.A N LYS 274.A O no hydrogen 2.765 N/A GLU 279.A N GLN 282.A OE1 no hydrogen 2.509 N/A GLN 282.A N GLU 279.A O no hydrogen 3.416 N/A GLN 282.A NE2 GLY 238.A O no hydrogen 2.833 N/A VAL 283.A N VAL 237.A O no hydrogen 3.157 N/A LEU 284.A N LEU 204.A O no hydrogen 2.753 N/A ALA 285.A N GLU 235.A O no hydrogen 3.128 N/A LYS 286.A N PHE 202.A O no hydrogen 2.855 N/A GLY 288.A N GLU 235.A OE1 no hydrogen 2.520 N/A THR 289.A N LYS 286.A O no hydrogen 3.205 N/A THR 289.A OG1 LYS 286.A O no hydrogen 2.594 N/A HIS 293.A N ILE 358.A O no hydrogen 2.893 N/A THR 294.A N GLY 385.A O no hydrogen 3.303 N/A PHE 296.A N VAL 352.A O no hydrogen 3.038 N/A GLU 297.A N LYS 382.A O no hydrogen 2.657 N/A SER 298.A N MET 350.A O no hydrogen 2.713 N/A SER 298.A OG MET 350.A O no hydrogen 3.191 N/A GLU 299.A N VAL 379.A O no hydrogen 3.293 N/A VAL 300.A N ILE 348.A O no hydrogen 2.909 N/A TYR 301.A N ALA 377.A O no hydrogen 2.630 N/A TYR 301.A OH GLU 307.A OE1 no hydrogen 2.479 N/A TYR 301.A OH GLU 307.A OE2 no hydrogen 3.275 N/A ILE 302.A N ASP 346.A O no hydrogen 2.796 N/A LEU 303.A N VAL 375.A O no hydrogen 2.902 N/A SER 304.A N GLU 307.A OE1 no hydrogen 2.687 N/A SER 304.A OG ASP 306.A OD2 no hydrogen 2.701 N/A SER 304.A OG GLU 307.A OE1 no hydrogen 2.832 N/A GLU 307.A N SER 304.A O no hydrogen 3.076 N/A GLY 308.A N LYS 305.A O no hydrogen 3.097 N/A GLY 309.A N SER 304.A O no hydrogen 2.773 N/A ARG 310.A NE GLU 370.A OE2 no hydrogen 3.234 N/A ARG 310.A NH1 THR 312.A O no hydrogen 2.705 N/A ARG 310.A NH2 GLU 370.A OE2 no hydrogen 3.092 N/A PHE 314.A N VAL 342.A O no hydrogen 3.119 N/A TYR 318.A OH GLU 370.A OE2 no hydrogen 2.521 N/A GLN 321.A N ARG 369.A O no hydrogen 3.142 N/A GLN 321.A NE2 THR 330.A OG1 no hydrogen 2.543 N/A PHE 322.A N VAL 329.A O no hydrogen 2.605 N/A TYR 323.A N ALA 367.A O no hydrogen 2.609 N/A PHE 324.A N THR 327.A O no hydrogen 2.773 N/A ARG 325.A NH1 ALA 359.A O no hydrogen 2.839 N/A ARG 325.A NH2 ALA 359.A O no hydrogen 2.938 N/A THR 327.A N PHE 324.A O no hydrogen 3.134 N/A VAL 329.A N PHE 322.A O no hydrogen 2.634 N/A GLY 331.A N PRO 320.A O no hydrogen 3.354 N/A THR 332.A N THR 353.A O no hydrogen 2.811 N/A THR 332.A OG1 THR 353.A OG1 no hydrogen 3.044 N/A GLU 334.A N VAL 351.A O no hydrogen 2.849 N/A VAL 339.A N PRO 336.A O no hydrogen 3.027 N/A VAL 342.A N PHE 314.A O no hydrogen 2.996 N/A MET 343.A N ASP 346.A OD2 no hydrogen 3.084 N/A GLY 345.A N ILE 302.A O no hydrogen 2.992 N/A ASP 346.A N MET 343.A O no hydrogen 3.048 N/A ILE 348.A N VAL 300.A O no hydrogen 2.889 N/A MET 350.A N SER 298.A O no hydrogen 2.586 N/A VAL 351.A N GLU 334.A O no hydrogen 3.293 N/A VAL 352.A N PHE 296.A O no hydrogen 2.976 N/A THR 353.A N THR 332.A O no hydrogen 2.888 N/A THR 353.A OG1 THR 332.A O no hydrogen 3.276 N/A THR 353.A OG1 THR 332.A OG1 no hydrogen 3.044 N/A LEU 354.A N THR 294.A O no hydrogen 2.747 N/A ILE 355.A N THR 330.A O no hydrogen 2.748 N/A ILE 358.A N HIS 293.A O no hydrogen 3.047 N/A MET 360.A N LYS 291.A O no hydrogen 3.138 N/A GLY 363.A N VAL 380.A O no hydrogen 2.902 N/A LEU 364.A N ASP 361.A O no hydrogen 2.971 N/A ARG 365.A NE ILE 84.A O no hydrogen 3.403 N/A ARG 365.A NH1 MET 83.A O no hydrogen 2.788 N/A ARG 365.A NH2 VAL 117.A O no hydrogen 3.408 N/A ARG 365.A NH2 GLY 363.A O no hydrogen 3.288 N/A PHE 366.A N GLY 378.A O no hydrogen 3.057 N/A ALA 367.A N TYR 323.A O no hydrogen 3.045 N/A ILE 368.A N GLY 376.A O no hydrogen 2.845 N/A ARG 369.A N GLN 321.A O no hydrogen 2.877 N/A ARG 369.A NH2 GLY 372.A O no hydrogen 2.680 N/A GLU 370.A N ARG 373.A O no hydrogen 2.968 N/A ARG 373.A N GLU 370.A O no hydrogen 2.841 N/A VAL 375.A N ILE 368.A O no hydrogen 2.889 N/A GLY 376.A N ILE 368.A O no hydrogen 2.941 N/A ALA 377.A N TYR 301.A O no hydrogen 2.886 N/A GLY 378.A N PHE 366.A O no hydrogen 3.006 N/A VAL 379.A N GLU 299.A O no hydrogen 3.303 N/A VAL 380.A N LEU 364.A O no hydrogen 2.588 N/A ALA 381.A N GLU 297.A O no hydrogen 2.629 N/A LYS 382.A N GLU 297.A O no hydrogen 3.010 N/A VAL 383.A N ASP 362.A OD1 no hydrogen 3.226 N/A LEU 384.A N LYS 295.A O no hydrogen 3.023 N/A GLY 385.A N LYS 295.A O no hydrogen 3.113 N/A