Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6wcq_D.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 21.D N LEU 17.D O no hydrogen 2.882 N/A LEU 24.D N ILE 20.D O no hydrogen 3.114 N/A ARG 25.D N TRP 21.D O no hydrogen 2.809 N/A ALA 26.D N ASP 22.D O no hydrogen 2.914 N/A GLY 27.D N ASP 23.D O no hydrogen 2.877 N/A ILE 28.D N LEU 24.D O no hydrogen 2.890 N/A GLN 29.D N ARG 25.D O no hydrogen 2.869 N/A GLN 30.D N ALA 26.D O no hydrogen 2.914 N/A VAL 31.D N GLY 27.D O no hydrogen 2.850 N/A TYR 32.D N ILE 28.D O no hydrogen 2.919 N/A TYR 32.D N GLN 29.D O no hydrogen 3.113 N/A THR 33.D N GLN 30.D O no hydrogen 2.556 N/A THR 33.D OG1 GLN 29.D O no hydrogen 3.327 N/A GLN 35.D N THR 33.D O no hydrogen 2.715 N/A ARG 41.D N ALA 38.D O no hydrogen 2.901 N/A MET 43.D N LYS 39.D O no hydrogen 2.941 N/A GLU 44.D N SER 40.D O no hydrogen 2.878 N/A LEU 45.D N ARG 41.D O no hydrogen 2.959 N/A TYR 46.D N TYR 42.D O no hydrogen 2.937 N/A THR 47.D N MET 43.D O no hydrogen 2.832 N/A THR 47.D OG1 MET 43.D O no hydrogen 2.337 N/A HIS 48.D N GLU 44.D O no hydrogen 2.900 N/A VAL 49.D N LEU 45.D O no hydrogen 2.973 N/A TYR 50.D N TYR 46.D O no hydrogen 2.899 N/A ASN 51.D N THR 47.D O no hydrogen 2.830 N/A TYR 52.D N HIS 48.D O no hydrogen 2.923 N/A CYS 53.D N VAL 49.D O no hydrogen 3.016 N/A CYS 53.D SG VAL 49.D O no hydrogen 3.840 N/A CYS 53.D SG VAL 84.D O no hydrogen 3.514 N/A THR 54.D N ASN 51.D O no hydrogen 3.254 N/A THR 54.D OG1 TYR 50.D O no hydrogen 2.757 N/A THR 54.D OG1 CYS 53.D O no hydrogen 2.640 N/A THR 54.D OG1 TYR 139.D OH no hydrogen 3.193 N/A SER 55.D OG THR 54.D O no hydrogen 2.635 N/A GLN 82.D NE2 GLN 82.D O no hydrogen 2.578 N/A GLN 82.D NE2 HIS 143.D O no hydrogen 3.356 N/A TYR 89.D N GLY 85.D O no hydrogen 2.708 N/A TYR 89.D OH GLU 158.D O no hydrogen 3.069 N/A LYS 90.D N LEU 86.D O no hydrogen 2.898 N/A ARG 91.D N GLU 87.D O no hydrogen 2.894 N/A LEU 92.D N LEU 88.D O no hydrogen 2.902 N/A LYS 93.D N TYR 89.D O no hydrogen 2.909 N/A GLU 94.D N LYS 90.D O no hydrogen 2.864 N/A PHE 95.D N ARG 91.D O no hydrogen 2.895 N/A LEU 96.D N LEU 92.D O no hydrogen 2.920 N/A LYS 97.D N LYS 93.D O no hydrogen 2.876 N/A ASN 98.D N GLU 94.D O no hydrogen 2.884 N/A TYR 99.D N PHE 95.D O no hydrogen 2.882 N/A LEU 100.D N LEU 96.D O no hydrogen 2.927 N/A THR 101.D N LYS 97.D O no hydrogen 2.870 N/A THR 101.D OG1 LYS 97.D O no hydrogen 2.324 N/A THR 101.D OG1 ASN 98.D O no hydrogen 3.210 N/A ASN 102.D N ASN 98.D O no hydrogen 2.894 N/A LEU 103.D N LEU 100.D O no hydrogen 3.009 N/A GLY 107.D N LEU 104.D O no hydrogen 2.609 N/A GLU 108.D N LEU 104.D O no hydrogen 2.785 N/A SER 114.D OG MET 111.D O no hydrogen 3.319 N/A VAL 115.D N MET 111.D O no hydrogen 2.918 N/A PHE 118.D N SER 114.D O no hydrogen 2.898 N/A TYR 119.D N VAL 115.D O no hydrogen 2.849 N/A TYR 119.D OH SER 207.D OG no hydrogen 2.649 N/A THR 120.D N LEU 116.D O no hydrogen 2.904 N/A THR 120.D OG1 LEU 116.D O no hydrogen 2.479 N/A THR 120.D OG1 LYS 117.D O no hydrogen 2.769 N/A GLN 121.D N LYS 117.D O no hydrogen 2.931 N/A GLN 122.D N PHE 118.D O no hydrogen 2.915 N/A TRP 123.D N TYR 119.D O no hydrogen 2.834 N/A GLU 124.D N THR 120.D O no hydrogen 2.890 N/A ASP 125.D N GLN 121.D O no hydrogen 2.983 N/A TYR 126.D N GLN 122.D O no hydrogen 2.820 N/A TYR 126.D OH ALA 163.D O no hydrogen 3.179 N/A ARG 127.D N TRP 123.D O no hydrogen 2.821 N/A ARG 127.D NE GLU 210.D OE2 no hydrogen 3.040 N/A PHE 128.D N GLU 124.D O no hydrogen 2.968 N/A SER 129.D N ASP 125.D O no hydrogen 2.940 N/A SER 129.D OG VAL 31.D O no hydrogen 3.345 N/A SER 129.D OG ASP 125.D O no hydrogen 2.965 N/A SER 130.D N TYR 126.D O no hydrogen 2.761 N/A SER 130.D OG TYR 126.D O no hydrogen 2.512 N/A LYS 131.D N ARG 127.D O no hydrogen 2.902 N/A VAL 132.D N PHE 128.D O no hydrogen 2.969 N/A LEU 133.D N SER 129.D O no hydrogen 2.837 N/A ASN 134.D N SER 130.D O no hydrogen 2.866 N/A GLY 135.D N LYS 131.D O no hydrogen 2.914 N/A ILE 136.D N VAL 132.D O no hydrogen 2.921 N/A CYS 137.D N LEU 133.D O no hydrogen 2.920 N/A TYR 139.D OH CYS 53.D O no hydrogen 3.372 N/A TYR 139.D OH THR 54.D OG1 no hydrogen 3.193 N/A ASN 141.D N CYS 137.D O no hydrogen 2.948 N/A ARG 146.D NE ARG 142.D O no hydrogen 2.950 N/A ARG 146.D NH2 ARG 142.D O no hydrogen 2.786 N/A ARG 147.D NH1 GLN 82.D OE1 no hydrogen 3.480 N/A CYS 149.D SG GLU 148.D OE1 no hydrogen 3.377 N/A TYR 160.D N ASN 134.D OD1 no hydrogen 3.061 N/A TYR 160.D OH GLU 210.D OE2 no hydrogen 2.521 N/A ALA 163.D N ILE 159.D O no hydrogen 2.561 N/A LEU 164.D N TYR 160.D O no hydrogen 2.942 N/A VAL 165.D N SER 161.D O no hydrogen 2.915 N/A THR 166.D N LEU 162.D O no hydrogen 2.802 N/A THR 166.D OG1 LEU 162.D O no hydrogen 3.145 N/A TRP 167.D N ALA 163.D O no hydrogen 2.910 N/A TRP 167.D NE1 TYR 119.D OH no hydrogen 3.341 N/A ARG 168.D N VAL 165.D O no hydrogen 2.790 N/A ARG 168.D NE VAL 165.D O no hydrogen 3.272 N/A ARG 168.D NH2 GLU 215.D OE2 no hydrogen 2.653 N/A CYS 170.D N TRP 167.D O no hydrogen 3.282 N/A ARG 173.D NE ARG 173.D O no hydrogen 3.122 N/A ASN 176.D N LEU 171.D O no hydrogen 2.769 N/A ASN 176.D ND2 SER 231.D OG no hydrogen 2.513 N/A VAL 179.D N LEU 175.D O no hydrogen 2.458 N/A THR 180.D N ASN 176.D O no hydrogen 2.853 N/A THR 180.D OG1 ASN 176.D O no hydrogen 2.566 N/A THR 180.D OG1 ASN 176.D OD1 no hydrogen 3.254 N/A THR 180.D OG1 TYR 208.D OH no hydrogen 2.941 N/A ASN 181.D N LYS 177.D O no hydrogen 2.853 N/A ALA 182.D N GLN 178.D O no hydrogen 2.932 N/A VAL 183.D N VAL 179.D O no hydrogen 2.916 N/A LEU 184.D N THR 180.D O no hydrogen 2.860 N/A LYS 185.D N ASN 181.D O no hydrogen 2.829 N/A LEU 186.D N ALA 182.D O no hydrogen 2.967 N/A ILE 187.D N VAL 183.D O no hydrogen 2.852 N/A GLU 188.D N LEU 184.D O no hydrogen 2.824 N/A LYS 189.D N LYS 185.D O no hydrogen 3.243 N/A LYS 189.D N LEU 186.D O no hydrogen 2.814 N/A THR 198.D N THR 195.D O no hydrogen 3.390 N/A THR 198.D OG1 THR 195.D O no hydrogen 3.098 N/A ARG 199.D N ILE 196.D O no hydrogen 3.141 N/A ILE 201.D N ASN 197.D O no hydrogen 2.989 N/A SER 202.D N THR 198.D O no hydrogen 2.872 N/A SER 202.D OG THR 198.D O no hydrogen 2.868 N/A SER 202.D OG ARG 199.D O no hydrogen 2.708 N/A GLY 203.D N ARG 199.D O no hydrogen 2.894 N/A VAL 204.D N LEU 200.D O no hydrogen 2.971 N/A VAL 205.D N ILE 201.D O no hydrogen 2.907 N/A GLN 206.D N SER 202.D O no hydrogen 2.840 N/A SER 207.D N GLY 203.D O no hydrogen 2.937 N/A SER 207.D OG TYR 119.D OH no hydrogen 2.649 N/A TYR 208.D N VAL 204.D O no hydrogen 2.933 N/A TYR 208.D OH THR 180.D OG1 no hydrogen 2.941 N/A VAL 209.D N VAL 205.D O no hydrogen 2.877 N/A GLU 210.D N GLN 206.D O no hydrogen 2.923 N/A LEU 211.D N SER 207.D O no hydrogen 3.077 N/A GLY 212.D N VAL 209.D O no hydrogen 2.879 N/A LEU 213.D N THR 226.D OG1 no hydrogen 3.413 N/A ASN 214.D ND2 GLU 210.D O no hydrogen 3.576 N/A TYR 228.D OH THR 283.D OG1 no hydrogen 2.316 N/A LYS 229.D N THR 226.D O no hydrogen 2.987 N/A LYS 229.D NZ GLU 233.D OE2 no hydrogen 3.448 N/A LYS 229.D NZ GLU 286.D OE2 no hydrogen 3.235 N/A GLU 230.D N THR 226.D O no hydrogen 2.806 N/A SER 231.D N VAL 227.D O no hydrogen 2.890 N/A PHE 232.D N TYR 228.D O no hydrogen 3.381 N/A GLU 233.D N TYR 228.D O no hydrogen 3.069 N/A SER 234.D N LYS 229.D O no hydrogen 3.333 N/A GLN 235.D NE2 GLU 230.D O no hydrogen 3.276 N/A GLN 235.D NE2 SER 231.D O no hydrogen 2.590 N/A PHE 236.D N PHE 232.D O no hydrogen 2.908 N/A LEU 237.D N GLU 233.D O no hydrogen 2.889 N/A ALA 238.D N SER 234.D O no hydrogen 2.923 N/A ASP 239.D N GLN 235.D O no hydrogen 2.869 N/A THR 240.D N PHE 236.D O no hydrogen 2.879 N/A THR 240.D OG1 PHE 236.D O no hydrogen 3.048 N/A GLU 241.D N LEU 237.D O no hydrogen 2.871 N/A ARG 242.D N ALA 238.D O no hydrogen 2.959 N/A PHE 243.D N ASP 239.D O no hydrogen 2.871 N/A TYR 244.D N THR 240.D O no hydrogen 2.904 N/A THR 245.D N GLU 241.D O no hydrogen 2.889 N/A THR 245.D OG1 GLU 241.D O no hydrogen 2.281 N/A ARG 246.D N ARG 242.D O no hydrogen 2.945 N/A GLU 247.D N PHE 243.D O no hydrogen 2.910 N/A SER 248.D N TYR 244.D O no hydrogen 2.840 N/A SER 248.D OG TYR 244.D O no hydrogen 2.716 N/A SER 248.D OG THR 245.D O no hydrogen 2.501 N/A SER 248.D OG HIS 299.D NE2 no hydrogen 3.253 N/A THR 249.D N THR 245.D O no hydrogen 2.948 N/A GLU 250.D N ARG 246.D O no hydrogen 2.959 N/A PHE 251.D N GLU 247.D O no hydrogen 2.898 N/A LEU 252.D N SER 248.D O no hydrogen 2.880 N/A GLN 253.D N THR 249.D O no hydrogen 2.902 N/A GLN 253.D N GLU 250.D O no hydrogen 3.184 N/A GLN 254.D N GLU 250.D O no hydrogen 2.965 N/A ASN 255.D ND2 PHE 251.D O no hydrogen 3.403 N/A THR 258.D OG1 THR 258.D O no hydrogen 2.361 N/A GLU 259.D N PRO 256.D O no hydrogen 3.199 N/A TYR 260.D N PRO 256.D O no hydrogen 3.259 N/A TYR 260.D OH LEU 295.D O no hydrogen 2.795 N/A MET 261.D N VAL 257.D O no hydrogen 2.945 N/A LYS 262.D NZ ASP 318.D OD1 no hydrogen 3.418 N/A LYS 263.D N GLU 259.D O no hydrogen 2.925 N/A ALA 264.D N TYR 260.D O no hydrogen 2.805 N/A GLU 265.D N MET 261.D O no hydrogen 2.927 N/A ALA 266.D N LYS 262.D O no hydrogen 2.899 N/A ARG 267.D N LYS 263.D O no hydrogen 2.876 N/A ARG 267.D NE GLU 247.D OE2 no hydrogen 3.154 N/A ARG 267.D NH1 GLU 190.D O no hydrogen 2.967 N/A ARG 267.D NH2 GLU 190.D O no hydrogen 3.092 N/A LEU 268.D N ALA 264.D O no hydrogen 2.851 N/A LEU 269.D N GLU 265.D O no hydrogen 2.970 N/A GLU 270.D N ALA 266.D O no hydrogen 2.821 N/A GLU 271.D N ARG 267.D O no hydrogen 2.862 N/A GLN 272.D N LEU 268.D O no hydrogen 2.945 N/A GLN 272.D NE2 GLN 276.D OE1 no hydrogen 3.459 N/A ARG 273.D N LEU 269.D O no hydrogen 2.893 N/A ARG 274.D N GLU 270.D O no hydrogen 2.829 N/A ARG 274.D NH1 TYR 278.D OH no hydrogen 2.439 N/A VAL 275.D N GLU 271.D O no hydrogen 2.921 N/A GLN 276.D N GLN 272.D O no hydrogen 2.964 N/A VAL 277.D N ARG 273.D O no hydrogen 2.860 N/A TYR 278.D N ARG 274.D O no hydrogen 3.463 N/A HIS 280.D N TYR 228.D OH no hydrogen 3.330 N/A HIS 280.D ND1 SER 282.D OG no hydrogen 2.737 N/A GLU 281.D N GLU 281.D OE1 no hydrogen 3.199 N/A SER 282.D N HIS 280.D ND1 no hydrogen 3.104 N/A SER 282.D OG HIS 280.D ND1 no hydrogen 2.737 N/A THR 283.D N HIS 280.D O no hydrogen 2.976 N/A THR 283.D OG1 TYR 228.D OH no hydrogen 2.316 N/A THR 283.D OG1 HIS 280.D O no hydrogen 3.054 N/A ALA 288.D N GLN 284.D O no hydrogen 2.833 N/A ARG 289.D N ASP 285.D O no hydrogen 2.909 N/A LYS 290.D N GLU 286.D O no hydrogen 2.910 N/A CYS 291.D N LEU 287.D O no hydrogen 2.870 N/A GLU 292.D N ALA 288.D O no hydrogen 2.897 N/A GLN 293.D N ARG 289.D O no hydrogen 2.912 N/A VAL 294.D N LYS 290.D O no hydrogen 2.922 N/A LEU 295.D N CYS 291.D O no hydrogen 2.882 N/A ILE 296.D N GLU 292.D O no hydrogen 2.885 N/A GLU 297.D N GLN 293.D O no hydrogen 3.216 N/A LYS 298.D N GLN 293.D O no hydrogen 3.088 N/A LEU 300.D N GLU 297.D O no hydrogen 2.973 N/A PHE 303.D N HIS 299.D O no hydrogen 3.028 N/A HIS 304.D N LEU 300.D O no hydrogen 2.880 N/A THR 305.D N GLU 301.D O no hydrogen 3.003 N/A THR 305.D OG1 GLU 301.D O no hydrogen 3.081 N/A GLU 306.D N ILE 302.D O no hydrogen 2.861 N/A PHE 307.D N PHE 303.D O no hydrogen 2.778 N/A GLN 308.D N HIS 304.D O no hydrogen 2.991 N/A GLN 308.D NE2 ASP 312.D OD2 no hydrogen 3.250 N/A ASN 309.D N THR 305.D O no hydrogen 2.957 N/A LEU 310.D N GLU 306.D O no hydrogen 2.777 N/A LEU 311.D N PHE 307.D O no hydrogen 2.913 N/A ASP 312.D N GLN 308.D O no hydrogen 2.945 N/A ALA 313.D N ASN 309.D O no hydrogen 2.852 N/A ASN 316.D N ASP 314.D O no hydrogen 2.859 N/A ASP 318.D N LYS 315.D O no hydrogen 3.113 N/A LEU 319.D N LYS 315.D O no hydrogen 3.284 N/A GLY 320.D N ASN 316.D O no hydrogen 2.876 N/A ARG 321.D N GLU 317.D O no hydrogen 2.956 N/A ARG 321.D NH2 GLU 317.D OE2 no hydrogen 2.846 N/A MET 322.D N ASP 318.D O no hydrogen 2.878 N/A TYR 323.D N LEU 319.D O no hydrogen 2.921 N/A TYR 323.D OH ASP 388.D OD2 no hydrogen 3.207 N/A ASN 324.D N GLY 320.D O no hydrogen 2.910 N/A ASN 324.D ND2 GLY 320.D O no hydrogen 2.352 N/A LEU 325.D N ARG 321.D O no hydrogen 2.924 N/A VAL 326.D N MET 322.D O no hydrogen 2.746 N/A SER 327.D N TYR 323.D O no hydrogen 3.364 N/A SER 327.D OG TYR 323.D O no hydrogen 3.191 N/A SER 327.D OG ASN 324.D O no hydrogen 2.759 N/A ARG 328.D N LEU 325.D O no hydrogen 3.183 N/A ILE 329.D N VAL 326.D O no hydrogen 2.683 N/A GLY 332.D N ILE 329.D O no hydrogen 3.369 N/A LYS 337.D N LEU 333.D O no hydrogen 2.707 N/A LYS 338.D N GLY 334.D O no hydrogen 2.925 N/A LEU 339.D N GLU 335.D O no hydrogen 2.907 N/A LEU 340.D N LEU 336.D O no hydrogen 2.894 N/A GLU 341.D N LYS 337.D O no hydrogen 2.928 N/A THR 342.D N LYS 338.D O no hydrogen 2.908 N/A THR 342.D OG1 LYS 338.D O no hydrogen 3.045 N/A HIS 343.D N LEU 339.D O no hydrogen 2.861 N/A ILE 344.D N LEU 340.D O no hydrogen 2.945 N/A HIS 345.D N GLU 341.D O no hydrogen 2.959 N/A ASN 346.D N THR 342.D O no hydrogen 2.917 N/A GLN 347.D N HIS 343.D O no hydrogen 2.854 N/A GLN 347.D NE2 TYR 377.D OH no hydrogen 3.248 N/A GLY 348.D N ILE 344.D O no hydrogen 2.936 N/A LEU 349.D N HIS 345.D O no hydrogen 2.963 N/A ALA 350.D N ASN 346.D O no hydrogen 2.885 N/A ALA 351.D N GLN 347.D O no hydrogen 2.859 N/A ILE 352.D N GLY 348.D O no hydrogen 3.006 N/A GLU 353.D N LEU 349.D O no hydrogen 2.929 N/A LYS 354.D N ALA 350.D O no hydrogen 2.840 N/A CYS 355.D SG ALA 351.D O no hydrogen 3.318 N/A CYS 355.D SG THR 369.D OG1 no hydrogen 2.935 N/A GLY 356.D N ILE 352.D O no hydrogen 3.101 N/A MET 365.D N ASP 362.D OD1 no hydrogen 3.399 N/A TYR 366.D N ASP 362.D O no hydrogen 3.367 N/A VAL 367.D N PRO 363.D O no hydrogen 2.984 N/A GLN 368.D N LYS 364.D O no hydrogen 2.760 N/A THR 369.D N MET 365.D O no hydrogen 2.907 N/A THR 369.D OG1 MET 365.D O no hydrogen 2.864 N/A VAL 370.D N TYR 366.D O no hydrogen 3.027 N/A LEU 371.D N VAL 367.D O no hydrogen 2.901 N/A ASP 372.D N GLN 368.D O no hydrogen 2.765 N/A VAL 373.D N THR 369.D O no hydrogen 2.992 N/A HIS 374.D N VAL 370.D O no hydrogen 2.940 N/A LYS 375.D N LEU 371.D O no hydrogen 2.774 N/A LYS 376.D N ASP 372.D O no hydrogen 2.920 N/A LYS 376.D NZ ASP 314.D OD2 no hydrogen 3.438 N/A TYR 377.D N VAL 373.D O no hydrogen 2.996 N/A TYR 377.D OH HIS 343.D NE2 no hydrogen 3.076 N/A ASN 378.D N HIS 374.D O no hydrogen 2.818 N/A ALA 379.D N LYS 375.D O no hydrogen 2.892 N/A LEU 380.D N LYS 376.D O no hydrogen 2.955 N/A VAL 381.D N TYR 377.D O no hydrogen 2.877 N/A MET 382.D N ASN 378.D O no hydrogen 2.886 N/A SER 383.D N ALA 379.D O no hydrogen 2.910 N/A SER 383.D OG ALA 379.D O no hydrogen 2.880 N/A ALA 384.D N LEU 380.D O no hydrogen 3.056 N/A ASN 387.D N VAL 381.D O no hydrogen 3.115 N/A ASP 388.D N PHE 385.D O no hydrogen 2.882 N/A GLY 390.D N ASP 388.D OD1 no hydrogen 2.797 N/A VAL 392.D N ASP 388.D O no hydrogen 2.908 N/A ALA 393.D N ALA 389.D O no hydrogen 2.894 N/A ALA 394.D N GLY 390.D O no hydrogen 2.911 N/A LEU 395.D N PHE 391.D O no hydrogen 2.883 N/A ASP 396.D N VAL 392.D O no hydrogen 2.899 N/A LYS 397.D N ALA 393.D O no hydrogen 2.909 N/A ALA 398.D N ALA 394.D O no hydrogen 2.920 N/A CYS 399.D N LEU 395.D O no hydrogen 2.893 N/A CYS 399.D SG HIS 374.D ND1 no hydrogen 3.904 N/A CYS 399.D SG LEU 395.D O no hydrogen 3.480 N/A GLY 400.D N ASP 396.D O no hydrogen 2.893 N/A ARG 401.D N ALA 398.D O no hydrogen 3.230 N/A PHE 402.D N CYS 399.D O no hydrogen 3.331 N/A ILE 403.D N CYS 399.D O no hydrogen 3.298 N/A THR 409.D N ASN 406.D O no hydrogen 3.032 N/A LYS 410.D N ASN 406.D O no hydrogen 2.952 N/A