Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nxe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 THR 3.A O no hydrogen 2.569 N/A LYS 4.A NZ ASP 27.A OD1 no hydrogen 3.143 N/A LEU 9.A N VAL 15.A O no hydrogen 3.120 N/A VAL 15.A N LEU 9.A O no hydrogen 2.879 N/A LEU 17.A N LEU 7.A O no hydrogen 2.872 N/A VAL 19.A N ALA 5.A O no hydrogen 3.170 N/A LEU 20.A N VAL 28.A O no hydrogen 2.793 N/A VAL 28.A N LEU 20.A O no hydrogen 2.969 N/A ASP 30.A N ASP 18.A O no hydrogen 2.992 N/A ARG 32.A N ASP 30.A OD1 no hydrogen 3.219 N/A LEU 34.A N ILE 31.A O no hydrogen 3.290 N/A SER 36.A OG THR 33.A O no hydrogen 2.771 N/A LYS 37.A N THR 33.A O no hydrogen 3.069 N/A VAL 39.A N LEU 34.A O no hydrogen 2.840 N/A PHE 46.A N ASP 43.A O no hydrogen 2.857 N/A SER 48.A N ASP 43.A OD1 no hydrogen 2.680 N/A THR 49.A N PHE 46.A O no hydrogen 3.086 N/A THR 49.A OG1 ASP 43.A OD1 no hydrogen 2.928 N/A CYS 52.A SG GLN 231.A OE1 no hydrogen 3.381 N/A SER 54.A OG GLU 397.A OE2 no hydrogen 2.580 N/A LYS 55.A N GLU 397.A OE1 no hydrogen 3.375 N/A ILE 56.A N SER 54.A OG no hydrogen 3.409 N/A THR 57.A OG1 HIS 68.A ND1 no hydrogen 3.136 N/A THR 57.A OG1 ASP 228.A OD1 no hydrogen 2.630 N/A PHE 58.A N LEU 67.A O no hydrogen 3.078 N/A ASP 60.A N ILE 65.A O no hydrogen 3.020 N/A GLU 63.A N ASP 60.A O no hydrogen 3.230 N/A GLY 64.A N GLY 61.A O no hydrogen 2.603 N/A ILE 65.A N ASP 60.A O no hydrogen 2.800 N/A LEU 67.A N PHE 58.A O no hydrogen 2.969 N/A HIS 68.A N PHE 71.A O no hydrogen 2.767 N/A HIS 68.A ND1 THR 57.A OG1 no hydrogen 3.136 N/A ARG 69.A N ILE 56.A O no hydrogen 2.853 N/A ARG 69.A NE LEU 89.A O no hydrogen 3.109 N/A ARG 69.A NH1 LEU 89.A O no hydrogen 2.676 N/A PHE 71.A N HIS 68.A O no hydrogen 3.177 N/A ILE 73.A N LEU 66.A O no hydrogen 2.963 N/A LEU 76.A N PRO 72.A O no hydrogen 3.374 N/A ALA 77.A N ILE 73.A O no hydrogen 3.018 N/A THR 78.A N ASP 74.A O no hydrogen 3.126 N/A THR 78.A OG1 ASP 74.A O no hydrogen 3.005 N/A THR 78.A OG1 GLN 75.A O no hydrogen 3.196 N/A ASP 79.A N GLN 75.A O no hydrogen 2.611 N/A SER 80.A N LEU 76.A O no hydrogen 3.077 N/A SER 80.A OG ASN 81.A O no hydrogen 3.122 N/A SER 80.A OG GLU 84.A OE1 no hydrogen 2.969 N/A ASN 81.A ND2 TYR 100.A OH no hydrogen 2.780 N/A TYR 82.A N ASP 220.A OD1 no hydrogen 3.338 N/A TYR 82.A N ASP 220.A OD2 no hydrogen 2.630 N/A TYR 82.A OH ALA 386.A O no hydrogen 2.595 N/A GLU 84.A N ASN 81.A O no hydrogen 3.136 N/A VAL 85.A N ASN 81.A O no hydrogen 3.280 N/A CYS 86.A N TYR 82.A O no hydrogen 2.996 N/A CYS 86.A SG TYR 82.A O no hydrogen 3.385 N/A TYR 87.A N LEU 83.A O no hydrogen 3.135 N/A ILE 88.A N GLU 84.A O no hydrogen 2.791 N/A LEU 89.A N VAL 85.A O no hydrogen 2.916 N/A LEU 90.A N CYS 86.A O no hydrogen 2.959 N/A ASN 91.A N TYR 87.A O no hydrogen 2.821 N/A GLY 92.A N ILE 88.A O no hydrogen 2.566 N/A GLN 97.A NE2 ASP 101.A OD1 no hydrogen 3.215 N/A GLN 99.A N THR 96.A OG1 no hydrogen 3.180 N/A TYR 100.A N THR 96.A O no hydrogen 2.743 N/A ASP 101.A N GLN 97.A O no hydrogen 2.847 N/A GLU 102.A N GLU 98.A O no hydrogen 2.959 N/A PHE 103.A N GLN 99.A O no hydrogen 2.816 N/A LYS 104.A N TYR 100.A O no hydrogen 2.759 N/A THR 105.A N ASP 101.A O no hydrogen 2.883 N/A THR 105.A OG1 ASP 101.A O no hydrogen 2.598 N/A THR 106.A N GLU 102.A O no hydrogen 3.152 N/A THR 106.A OG1 GLU 102.A O no hydrogen 2.758 N/A VAL 107.A N PHE 103.A O no hydrogen 3.125 N/A THR 108.A N LYS 104.A O no hydrogen 3.159 N/A THR 108.A OG1 LYS 104.A O no hydrogen 2.899 N/A ARG 109.A N THR 105.A O no hydrogen 2.902 N/A HIS 110.A N VAL 107.A O no hydrogen 2.850 N/A THR 111.A OG1 THR 108.A O no hydrogen 3.399 N/A HIS 114.A N TYR 145.A OH no hydrogen 2.981 N/A GLN 116.A N HIS 114.A ND1 no hydrogen 2.865 N/A ARG 119.A N GLN 116.A O no hydrogen 2.660 N/A LEU 120.A N ILE 117.A O no hydrogen 2.729 N/A ALA 123.A N LEU 120.A O no hydrogen 3.183 N/A ARG 126.A NE TYR 178.A O no hydrogen 3.183 N/A ARG 126.A NH1 TYR 178.A O no hydrogen 2.592 N/A SER 128.A N ARG 125.A O no hydrogen 3.157 N/A SER 128.A OG ARG 125.A O no hydrogen 2.518 N/A HIS 129.A NE2 SER 377.A O no hydrogen 3.110 N/A ALA 132.A N HIS 129.A O no hydrogen 2.683 N/A VAL 133.A N HIS 129.A O no hydrogen 3.395 N/A VAL 133.A N PRO 130.A O no hydrogen 2.988 N/A MET 134.A N PRO 130.A O no hydrogen 2.921 N/A CYS 135.A SG MET 131.A O no hydrogen 3.135 N/A GLY 136.A N ALA 132.A O no hydrogen 3.204 N/A ILE 137.A N VAL 133.A O no hydrogen 2.689 N/A THR 138.A N MET 134.A O no hydrogen 2.916 N/A THR 138.A OG1 MET 134.A O no hydrogen 2.625 N/A GLY 139.A N CYS 135.A O no hydrogen 3.146 N/A ALA 140.A N ILE 137.A O no hydrogen 3.013 N/A ALA 143.A N ALA 140.A O no hydrogen 3.278 N/A PHE 144.A N LEU 141.A O no hydrogen 2.715 N/A TYR 145.A N LEU 141.A O no hydrogen 2.812 N/A ASP 147.A N ASP 147.A OD2 no hydrogen 2.493 N/A VAL 151.A N LEU 149.A O no hydrogen 3.002 N/A ASN 153.A N ASP 150.A O no hydrogen 2.756 N/A ARG 157.A N ASN 153.A O no hydrogen 3.218 N/A GLU 158.A N PRO 154.A O no hydrogen 3.466 N/A ILE 159.A N ARG 155.A O no hydrogen 3.184 N/A ALA 160.A N HIS 156.A O no hydrogen 3.039 N/A ALA 161.A N ARG 157.A O no hydrogen 2.798 N/A PHE 162.A N GLU 158.A O no hydrogen 3.147 N/A ARG 163.A N ILE 159.A O no hydrogen 2.913 N/A ARG 163.A NH2 ASP 147.A OD2 no hydrogen 3.389 N/A ARG 163.A NH2 SER 148.A OG no hydrogen 2.994 N/A LEU 164.A N ALA 160.A O no hydrogen 2.818 N/A LEU 165.A N ALA 161.A O no hydrogen 2.786 N/A SER 166.A N PHE 162.A O no hydrogen 2.676 N/A SER 166.A OG VAL 107.A O no hydrogen 2.972 N/A SER 166.A OG PHE 162.A O no hydrogen 2.679 N/A LYS 167.A N ARG 163.A O no hydrogen 3.064 N/A LYS 167.A NZ HIS 110.A O no hydrogen 2.999 N/A LYS 167.A NZ TYR 145.A OH no hydrogen 3.342 N/A THR 170.A OG1 THR 111.A O no hydrogen 2.965 N/A MET 171.A N LYS 167.A O no hydrogen 2.937 N/A ALA 172.A N MET 168.A O no hydrogen 2.795 N/A ALA 173.A N PRO 169.A O no hydrogen 2.953 N/A MET 174.A N THR 170.A O no hydrogen 3.009 N/A CYS 175.A N MET 171.A O no hydrogen 2.920 N/A CYS 175.A SG PRO 130.A O no hydrogen 3.785 N/A CYS 175.A SG MET 171.A O no hydrogen 3.358 N/A TYR 176.A N ALA 172.A O no hydrogen 3.320 N/A LYS 177.A N ALA 173.A O no hydrogen 3.106 N/A LYS 177.A NZ MET 201.A O no hydrogen 2.860 N/A LYS 177.A NZ SER 203.A O no hydrogen 3.006 N/A TYR 178.A N MET 174.A O no hydrogen 2.785 N/A TYR 178.A OH PHE 124.A O no hydrogen 2.510 N/A SER 179.A N CYS 175.A O no hydrogen 3.240 N/A SER 179.A OG TYR 176.A O no hydrogen 2.783 N/A ILE 180.A N TYR 176.A O no hydrogen 3.168 N/A ILE 180.A N LYS 177.A O no hydrogen 3.018 N/A GLY 181.A N TYR 178.A O no hydrogen 3.251 N/A GLN 182.A N LYS 177.A O no hydrogen 3.298 N/A TYR 186.A OH GLU 115.A OE1 no hydrogen 2.678 N/A ARG 188.A N ASN 196.A OD1 no hydrogen 2.851 N/A ARG 188.A NE ASP 190.A OD1 no hydrogen 2.793 N/A ARG 188.A NH1 ASP 190.A OD1 no hydrogen 2.727 N/A LEU 191.A N ARG 188.A O no hydrogen 3.282 N/A SER 192.A OG GLU 216.A OE1 no hydrogen 2.517 N/A GLY 195.A N SER 192.A OG no hydrogen 2.886 N/A ASN 196.A N SER 192.A O no hydrogen 2.670 N/A PHE 197.A N TYR 193.A O no hydrogen 3.185 N/A LEU 198.A N ALA 194.A O no hydrogen 3.068 N/A ASN 199.A N GLY 195.A O no hydrogen 2.847 N/A MET 200.A N ASN 196.A O no hydrogen 2.701 N/A MET 201.A N PHE 197.A O no hydrogen 3.020 N/A PHE 202.A N LEU 198.A O no hydrogen 3.005 N/A SER 203.A N ASN 199.A O no hydrogen 3.263 N/A SER 203.A OG ASN 199.A O no hydrogen 2.792 N/A CYS 206.A N THR 204.A OG1 no hydrogen 3.117 N/A GLU 210.A N GLU 210.A OE2 no hydrogen 2.596 N/A GLU 216.A N ASN 212.A O no hydrogen 3.075 N/A ARG 217.A N ILE 214.A O no hydrogen 2.884 N/A ALA 218.A N ILE 214.A O no hydrogen 3.047 N/A MET 219.A N LEU 215.A O no hydrogen 2.784 N/A ASP 220.A N GLU 216.A O no hydrogen 3.292 N/A ARG 221.A N ARG 217.A O no hydrogen 2.865 N/A ARG 221.A NH2 THR 321.A OG1 no hydrogen 2.616 N/A ILE 222.A N ALA 218.A O no hydrogen 2.997 N/A LEU 223.A N MET 219.A O no hydrogen 2.826 N/A ILE 224.A N ASP 220.A O no hydrogen 2.763 N/A LEU 225.A N ARG 221.A O no hydrogen 2.885 N/A HIS 226.A N LEU 223.A O no hydrogen 3.343 N/A HIS 226.A ND1 ILE 222.A O no hydrogen 2.630 N/A HIS 226.A NE2 ASP 362.A OD1 no hydrogen 2.801 N/A ALA 227.A N ILE 224.A O no hydrogen 3.055 N/A HIS 229.A NE2 TYR 308.A OH no hydrogen 2.601 N/A GLU 230.A N ASP 228.A OD1 no hydrogen 3.096 N/A GLN 231.A N GLU 230.A OE1 no hydrogen 3.049 N/A ASN 232.A ND2 THR 235.A OG1 no hydrogen 2.910 N/A SER 236.A N ASN 232.A O no hydrogen 2.956 N/A SER 236.A OG GLN 231.A O no hydrogen 3.301 N/A SER 236.A OG ASN 232.A O no hydrogen 2.809 N/A THR 237.A N ALA 233.A O no hydrogen 3.090 N/A THR 237.A OG1 ALA 233.A O no hydrogen 3.496 N/A THR 237.A OG1 SER 258.A OG no hydrogen 3.417 N/A VAL 238.A N SER 234.A O no hydrogen 3.089 N/A ARG 239.A N THR 235.A O no hydrogen 3.172 N/A ARG 239.A NE HIS 394.A ND1 no hydrogen 3.130 N/A ARG 239.A NH1 HIS 394.A ND1 no hydrogen 2.518 N/A ARG 239.A NH1 GLU 397.A OE2 no hydrogen 2.865 N/A THR 240.A N SER 236.A O no hydrogen 2.981 N/A THR 240.A OG1 SER 236.A O no hydrogen 2.867 N/A ALA 241.A N THR 237.A O no hydrogen 2.702 N/A GLY 242.A N VAL 238.A O no hydrogen 2.826 N/A SER 243.A N ARG 239.A O no hydrogen 2.815 N/A SER 243.A OG THR 240.A O no hydrogen 3.328 N/A SER 244.A N ALA 241.A O no hydrogen 3.240 N/A SER 244.A OG THR 240.A O no hydrogen 3.434 N/A SER 244.A OG ALA 241.A O no hydrogen 2.661 N/A GLY 245.A N GLY 242.A O no hydrogen 3.077 N/A ALA 250.A N ASN 247.A OD1 no hydrogen 2.595 N/A CYS 251.A N ASN 247.A O no hydrogen 3.076 N/A CYS 251.A SG ALA 246.A O no hydrogen 3.650 N/A CYS 251.A SG ASN 247.A O no hydrogen 3.025 N/A ILE 252.A N PRO 248.A O no hydrogen 3.155 N/A ALA 253.A N PHE 249.A O no hydrogen 3.246 N/A ALA 254.A N ALA 250.A O no hydrogen 2.873 N/A GLY 255.A N CYS 251.A O no hydrogen 2.655 N/A ILE 256.A N ILE 252.A O no hydrogen 2.526 N/A ALA 257.A N ALA 253.A O no hydrogen 3.057 N/A SER 258.A N ALA 254.A O no hydrogen 2.876 N/A SER 258.A OG THR 237.A OG1 no hydrogen 3.417 N/A LEU 259.A N GLY 255.A O no hydrogen 2.757 N/A TRP 260.A N ILE 256.A O no hydrogen 3.266 N/A ALA 263.A N TRP 260.A O no hydrogen 3.248 N/A GLY 265.A N GLY 261.A O no hydrogen 2.867 N/A ALA 270.A N ALA 267.A O no hydrogen 3.034 N/A LYS 273.A N GLU 269.A O no hydrogen 2.713 N/A LEU 275.A N LEU 272.A O no hydrogen 2.866 N/A GLU 276.A N LYS 273.A O no hydrogen 3.356 N/A GLU 277.A N MET 274.A O no hydrogen 3.240 N/A SER 279.A OG GLU 276.A O no hydrogen 3.306 N/A HIS 283.A ND1 HIS 283.A O no hydrogen 2.680 N/A GLU 286.A N ILE 284.A O no hydrogen 2.650 N/A ALA 291.A N ARG 289.A O no hydrogen 2.543 N/A LYS 292.A N ARG 289.A O no hydrogen 2.817 N/A ASP 293.A N ARG 289.A O no hydrogen 2.577 N/A SER 297.A OG TYR 351.A OH no hydrogen 2.926 N/A MET 301.A N PHE 298.A O no hydrogen 3.478 N/A GLY 302.A N ARG 299.A O no hydrogen 3.394 N/A GLY 304.A N TYR 358.A O no hydrogen 2.495 N/A TYR 308.A OH HIS 229.A NE2 no hydrogen 2.601 N/A LYS 309.A N GLY 61.A O no hydrogen 3.413 N/A LYS 309.A NZ ASN 310.A OD1 no hydrogen 2.527 N/A TYR 311.A OH GLU 63.A O no hydrogen 3.297 N/A ARG 314.A NE ASP 312.A OD1 no hydrogen 3.062 N/A ARG 314.A NH1 ASP 312.A OD2 no hydrogen 3.165 N/A ALA 315.A N ASP 312.A O no hydrogen 2.817 N/A THR 316.A N PRO 313.A O no hydrogen 3.432 N/A ARG 319.A N ALA 315.A O no hydrogen 2.716 N/A ARG 319.A NE GLU 343.A OE2 no hydrogen 2.671 N/A ARG 319.A NH1 GLU 343.A OE1 no hydrogen 2.707 N/A ARG 319.A NH1 GLU 343.A OE2 no hydrogen 3.354 N/A GLU 320.A N THR 316.A O no hydrogen 3.204 N/A THR 321.A N VAL 317.A O no hydrogen 2.918 N/A THR 321.A OG1 VAL 317.A O no hydrogen 2.631 N/A CYS 322.A N MET 318.A O no hydrogen 2.853 N/A HIS 323.A N ARG 319.A O no hydrogen 3.205 N/A GLU 324.A N GLU 320.A O no hydrogen 3.388 N/A VAL 325.A N THR 321.A O no hydrogen 3.235 N/A LEU 326.A N CYS 322.A O no hydrogen 3.193 N/A LYS 327.A N HIS 323.A O no hydrogen 2.951 N/A GLU 328.A N VAL 325.A O no hydrogen 2.960 N/A LEU 329.A N VAL 325.A O no hydrogen 2.890 N/A LYS 332.A N GLY 330.A O no hydrogen 2.577 N/A ASP 333.A N GLY 330.A O no hydrogen 2.805 N/A GLU 337.A N LEU 335.A O no hydrogen 2.659 N/A GLU 341.A N GLU 337.A O no hydrogen 3.138 N/A LEU 342.A N VAL 338.A O no hydrogen 2.753 N/A GLU 343.A N ALA 339.A O no hydrogen 2.983 N/A ASN 344.A N MET 340.A O no hydrogen 3.310 N/A ILE 345.A N GLU 341.A O no hydrogen 3.080 N/A ALA 346.A N LEU 342.A O no hydrogen 2.944 N/A LEU 347.A N GLU 343.A O no hydrogen 2.912 N/A LEU 347.A N ASN 344.A O no hydrogen 3.347 N/A ASN 348.A N ASN 344.A O no hydrogen 2.867 N/A TYR 351.A N ASP 349.A OD1 no hydrogen 2.675 N/A TYR 351.A OH SER 297.A OG no hydrogen 2.926 N/A ILE 353.A N ASP 349.A O no hydrogen 2.715 N/A GLU 354.A N PRO 350.A O no hydrogen 2.586 N/A LYS 355.A N TYR 351.A O no hydrogen 2.748 N/A LYS 355.A NZ TYR 351.A OH no hydrogen 3.368 N/A LYS 356.A NZ ASN 310.A OD1 no hydrogen 3.085 N/A LEU 357.A N PHE 352.A O no hydrogen 3.127 N/A TYR 358.A OH TYR 308.A O no hydrogen 2.609 N/A ASN 360.A N GLY 302.A O no hydrogen 2.812 N/A ASN 360.A ND2 ARG 299.A O no hydrogen 3.139 N/A ASN 360.A ND2 GLY 304.A O no hydrogen 2.938 N/A VAL 361.A N ASP 312.A OD2 no hydrogen 3.290 N/A PHE 363.A N ASN 360.A O no hydrogen 2.811 N/A PHE 363.A N ASN 360.A OD1 no hydrogen 3.323 N/A TYR 364.A OH GLU 343.A OE2 no hydrogen 2.626 N/A SER 365.A N VAL 361.A O no hydrogen 2.934 N/A SER 365.A OG VAL 361.A O no hydrogen 3.445 N/A GLY 366.A N ASP 362.A O no hydrogen 2.762 N/A ILE 367.A N PHE 363.A O no hydrogen 3.250 N/A ILE 368.A N TYR 364.A O no hydrogen 3.051 N/A LEU 369.A N SER 365.A O no hydrogen 2.786 N/A LYS 370.A N GLY 366.A O no hydrogen 2.547 N/A ALA 371.A N ILE 367.A O no hydrogen 2.677 N/A MET 372.A N LEU 369.A O no hydrogen 2.861 N/A GLY 373.A N LYS 370.A O no hydrogen 3.408 N/A ILE 374.A N LEU 369.A O no hydrogen 3.169 N/A MET 378.A N PRO 375.A O no hydrogen 2.723 N/A ILE 382.A N MET 378.A O no hydrogen 3.147 N/A ALA 383.A N PHE 379.A O no hydrogen 3.237 N/A ALA 384.A N THR 380.A O no hydrogen 2.769 N/A MET 385.A N VAL 381.A O no hydrogen 2.698 N/A ALA 386.A N ILE 382.A O no hydrogen 2.739 N/A ARG 387.A N ALA 383.A O no hydrogen 2.753 N/A ARG 387.A NE HIS 226.A O no hydrogen 2.906 N/A ARG 387.A NH1 HIS 226.A O no hydrogen 3.540 N/A THR 388.A N MET 385.A O no hydrogen 3.128 N/A THR 388.A OG1 ALA 384.A O no hydrogen 3.021 N/A THR 388.A OG1 MET 385.A O no hydrogen 2.959 N/A TRP 391.A N ARG 387.A O no hydrogen 3.031 N/A ILE 392.A N THR 388.A O no hydrogen 2.798 N/A ALA 393.A N VAL 389.A O no hydrogen 2.854 N/A HIS 394.A N GLY 390.A O no hydrogen 3.327 N/A HIS 394.A NE2 ASP 228.A OD1 no hydrogen 3.210 N/A TRP 395.A N TRP 391.A O no hydrogen 2.854 N/A SER 396.A N ILE 392.A O no hydrogen 2.751 N/A SER 396.A OG ILE 392.A O no hydrogen 3.040 N/A GLU 397.A N ALA 393.A O no hydrogen 2.761 N/A MET 398.A N HIS 394.A O no hydrogen 3.036 N/A HIS 399.A N TRP 395.A O no hydrogen 3.362 N/A HIS 399.A N SER 396.A O no hydrogen 3.218 N/A HIS 399.A ND1 TRP 395.A O no hydrogen 3.201 N/A SER 400.A N SER 396.A O no hydrogen 3.265 N/A SER 400.A OG GLU 397.A O no hydrogen 2.619 N/A SER 400.A OG ASP 401.A OD2 no hydrogen 3.132 N/A ASP 401.A N GLU 397.A O no hydrogen 3.298 N/A GLY 402.A N HIS 399.A O no hydrogen 2.769 N/A MET 403.A N MET 398.A O no hydrogen 2.985 N/A LYS 404.A NZ LYS 404.A O no hydrogen 3.076 N/A TYR 412.A OH TYR 415.A O no hydrogen 2.791 N/A THR 413.A OG1 LEU 411.A O no hydrogen 3.166 N/A GLU 416.A N GLU 416.A OE2 no hydrogen 2.611 N/A LYS 417.A NZ ASP 419.A OD2 no hydrogen 2.731 N/A SER 422.A OG ILE 424.A O no hydrogen 3.309 N/A