Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9ayf_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ASP 4.A OD1 no hydrogen 2.692 N/A LEU 6.A N GLU 2.A O no hydrogen 3.368 N/A ARG 7.A N LEU 3.A O no hydrogen 2.912 N/A GLN 8.A N ASP 4.A O no hydrogen 2.893 N/A GLU 9.A N GLN 5.A O no hydrogen 2.905 N/A ALA 10.A N LEU 6.A O no hydrogen 2.894 N/A GLU 11.A N ARG 7.A O no hydrogen 2.906 N/A GLN 12.A N GLN 8.A O no hydrogen 2.900 N/A LEU 13.A N GLU 9.A O no hydrogen 2.920 N/A LYS 14.A N ALA 10.A O no hydrogen 2.896 N/A ASN 15.A N GLU 11.A O no hydrogen 2.912 N/A GLN 16.A N GLN 12.A O no hydrogen 2.904 N/A ILE 17.A N LEU 13.A O no hydrogen 2.919 N/A ARG 18.A N LYS 14.A O no hydrogen 2.907 N/A ASP 19.A N ASN 15.A O no hydrogen 2.904 N/A ALA 20.A N GLN 16.A O no hydrogen 2.919 N/A ARG 21.A N ILE 17.A O no hydrogen 2.915 N/A ARG 21.A NH2 THR 220.A O no hydrogen 2.754 N/A ARG 21.A NH2 ASP 257.A OD2 no hydrogen 3.550 N/A LYS 22.A N ARG 18.A O no hydrogen 2.895 N/A ALA 23.A N ASP 19.A O no hydrogen 2.917 N/A CYS 24.A N ARG 21.A O no hydrogen 3.224 N/A CYS 24.A SG ALA 20.A O no hydrogen 3.386 N/A ALA 25.A N LYS 22.A O no hydrogen 3.109 N/A ASP 26.A N CYS 24.A O no hydrogen 2.924 N/A THR 28.A OG1 SER 30.A OG no hydrogen 2.671 N/A SER 30.A OG THR 28.A OG1 no hydrogen 2.671 N/A GLN 31.A N THR 28.A OG1 no hydrogen 3.055 N/A ILE 32.A N THR 28.A O no hydrogen 3.419 N/A THR 33.A N LEU 29.A O no hydrogen 2.920 N/A THR 33.A OG1 LEU 29.A O no hydrogen 2.804 N/A THR 33.A OG1 SER 30.A O no hydrogen 3.461 N/A THR 33.A OG1 LEU 299.A O no hydrogen 2.986 N/A ILE 36.A N THR 33.A O no hydrogen 3.021 N/A ARG 41.A NE ALA 304.A O no hydrogen 3.133 N/A ILE 42.A N ALA 304.A O no hydrogen 3.148 N/A ARG 47.A N ILE 337.A O no hydrogen 2.888 N/A ARG 47.A NE ASN 339.A OXT no hydrogen 3.402 N/A ARG 47.A NH2 ASN 339.A OXT no hydrogen 3.512 N/A ARG 48.A NE SER 83.A O no hydrogen 3.451 N/A ARG 48.A NE TYR 84.A O no hydrogen 3.001 N/A ARG 48.A NH2 TYR 84.A O no hydrogen 3.259 N/A LEU 50.A N LEU 335.A O no hydrogen 2.948 N/A HIS 53.A ND1 ASP 75.A OD2 no hydrogen 3.095 N/A HIS 53.A NE2 SER 71.A OG no hydrogen 2.996 N/A TYR 58.A N ALA 72.A O no hydrogen 2.935 N/A HIS 61.A N VAL 70.A O no hydrogen 3.096 N/A GLY 63.A N LEU 68.A O no hydrogen 3.108 N/A THR 64.A OG1 PRO 106.A O no hydrogen 3.165 N/A SER 66.A N GLY 63.A O no hydrogen 3.262 N/A SER 66.A OG THR 64.A O no hydrogen 3.316 N/A SER 66.A OG ASP 322.A OD1 no hydrogen 2.945 N/A ARG 67.A N ASP 65.A OD1 no hydrogen 3.279 N/A ARG 67.A NE ASP 82.A OD1 no hydrogen 2.991 N/A ARG 67.A NE ASP 82.A OD2 no hydrogen 3.426 N/A ARG 67.A NH2 ASP 82.A OD2 no hydrogen 3.362 N/A LEU 68.A N ASP 65.A OD1 no hydrogen 3.264 N/A LEU 69.A N TRP 81.A O no hydrogen 2.942 N/A VAL 70.A N HIS 61.A O no hydrogen 3.207 N/A SER 71.A N ILE 79.A O no hydrogen 2.891 N/A SER 71.A OG HIS 53.A NE2 no hydrogen 2.996 N/A SER 71.A OG ILE 79.A O no hydrogen 3.450 N/A ALA 72.A N ALA 59.A O no hydrogen 3.078 N/A SER 73.A OG LYS 56.A O no hydrogen 2.613 N/A SER 73.A OG ASP 75.A OD1 no hydrogen 3.320 N/A GLN 74.A N LYS 56.A O no hydrogen 3.204 N/A GLY 76.A N SER 73.A O no hydrogen 3.408 N/A LEU 78.A N ILE 92.A O no hydrogen 2.908 N/A ILE 79.A N SER 71.A O no hydrogen 2.988 N/A ILE 80.A N HIS 90.A O no hydrogen 2.916 N/A TRP 81.A N LEU 69.A O no hydrogen 2.849 N/A TRP 81.A NE1 SER 71.A OG no hydrogen 2.694 N/A ASP 82.A N ASN 87.A O no hydrogen 2.834 N/A SER 83.A N ARG 67.A O no hydrogen 3.048 N/A SER 83.A OG ARG 67.A O no hydrogen 3.192 N/A TYR 84.A N ASP 82.A OD1 no hydrogen 3.247 N/A THR 85.A OG1 ASP 82.A OD2 no hydrogen 3.176 N/A ASN 87.A N ASP 82.A O no hydrogen 3.345 N/A LYS 88.A NZ ARG 51.A O no hydrogen 3.120 N/A VAL 89.A N ILE 80.A O no hydrogen 2.867 N/A ILE 92.A N LEU 78.A O no hydrogen 2.874 N/A LEU 94.A N GLY 76.A O no hydrogen 3.111 N/A SER 96.A OG ASP 117.A OD2 no hydrogen 3.057 N/A MET 100.A N GLY 114.A O no hydrogen 2.902 N/A ALA 103.A N ALA 112.A O no hydrogen 3.190 N/A TYR 104.A N HIS 61.A ND1 no hydrogen 2.988 N/A ALA 105.A N TYR 110.A O no hydrogen 3.101 N/A SER 107.A OG ASP 153.A OD1 no hydrogen 3.129 N/A SER 107.A OG ASP 153.A OD2 no hydrogen 3.525 N/A GLY 108.A N ALA 105.A O no hydrogen 2.968 N/A VAL 111.A N TYR 123.A O no hydrogen 2.943 N/A ALA 112.A N ALA 103.A O no hydrogen 3.204 N/A CYS 113.A N SER 121.A O no hydrogen 2.936 N/A CYS 113.A SG TYR 123.A OH no hydrogen 3.093 N/A LEU 116.A N TRP 98.A O no hydrogen 3.397 N/A ASN 118.A N GLY 115.A O no hydrogen 3.266 N/A ILE 119.A N ASP 117.A OD1 no hydrogen 2.548 N/A CYS 120.A N LEU 138.A O no hydrogen 2.918 N/A CYS 120.A SG CYS 113.A O no hydrogen 4.046 N/A SER 121.A N CYS 113.A O no hydrogen 2.882 N/A ILE 122.A N ARG 136.A O no hydrogen 2.892 N/A TYR 123.A N VAL 111.A O no hydrogen 2.878 N/A ASN 124.A N ARG 133.A O no hydrogen 3.310 N/A ASN 124.A ND2 LYS 126.A O no hydrogen 3.007 N/A LEU 125.A N ASN 109.A O no hydrogen 2.880 N/A LYS 126.A N ASN 124.A OD1 no hydrogen 3.236 N/A THR 127.A OG1 ASN 131.A O no hydrogen 3.308 N/A SER 135.A N ILE 122.A O no hydrogen 2.775 N/A ARG 136.A N ILE 122.A O no hydrogen 2.971 N/A LEU 138.A N CYS 120.A O no hydrogen 2.861 N/A HIS 141.A NE2 THR 158.A OG1 no hydrogen 2.918 N/A LEU 145.A N GLY 115.A O no hydrogen 3.052 N/A SER 146.A N SER 159.A O no hydrogen 2.903 N/A SER 146.A OG VAL 186.A O no hydrogen 2.737 N/A CYS 147.A SG LEU 189.A O no hydrogen 3.942 N/A CYS 148.A SG THR 101.A OG1 no hydrogen 3.620 N/A ARG 149.A N VAL 157.A O no hydrogen 2.977 N/A ARG 149.A NH1 CYS 102.A O no hydrogen 3.380 N/A ARG 149.A NH1 CYS 148.A O no hydrogen 2.714 N/A LEU 151.A N GLN 155.A O no hydrogen 3.358 N/A ASN 154.A N ASP 152.A OD1 no hydrogen 2.464 N/A ILE 156.A N TRP 168.A O no hydrogen 2.978 N/A VAL 157.A N ARG 149.A O no hydrogen 3.096 N/A THR 158.A N ALA 166.A O no hydrogen 2.894 N/A THR 158.A OG1 HIS 141.A NE2 no hydrogen 2.918 N/A SER 159.A N CYS 147.A O no hydrogen 3.062 N/A SER 160.A N THR 164.A O no hydrogen 2.991 N/A SER 160.A OG TYR 144.A O no hydrogen 3.032 N/A SER 160.A OG ASP 162.A OD1 no hydrogen 2.616 N/A GLY 161.A N TYR 144.A O no hydrogen 2.723 N/A ASP 162.A N SER 160.A OG no hydrogen 3.325 N/A ASP 162.A N ASP 162.A OD1 no hydrogen 2.529 N/A THR 163.A OG1 ASP 162.A O no hydrogen 2.403 N/A THR 164.A OG1 ASP 162.A O no hydrogen 2.660 N/A CYS 165.A N PHE 179.A O no hydrogen 2.960 N/A ALA 166.A N THR 158.A O no hydrogen 2.861 N/A LEU 167.A N THR 177.A O no hydrogen 2.874 N/A TRP 168.A N ILE 156.A O no hydrogen 2.852 N/A TRP 168.A NE1 THR 158.A OG1 no hydrogen 2.879 N/A ASP 169.A N GLN 174.A O no hydrogen 3.323 N/A ILE 170.A N ASP 169.A OD1 no hydrogen 2.387 N/A THR 177.A N LEU 167.A O no hydrogen 2.965 N/A PHE 179.A N CYS 165.A O no hydrogen 2.869 N/A HIS 182.A ND1 ASP 204.A OD2 no hydrogen 3.145 N/A HIS 182.A NE2 SER 200.A OG no hydrogen 3.151 N/A THR 183.A N ASP 204.A OD2 no hydrogen 3.129 N/A MET 187.A N GLY 201.A O no hydrogen 2.949 N/A SER 190.A N VAL 199.A O no hydrogen 3.211 N/A ALA 192.A N LEU 197.A O no hydrogen 3.031 N/A THR 195.A N ALA 192.A O no hydrogen 2.861 N/A THR 195.A OG1 THR 195.A O no hydrogen 2.550 N/A ARG 196.A N ASP 194.A OD1 no hydrogen 3.412 N/A PHE 198.A N TRP 210.A O no hydrogen 2.947 N/A VAL 199.A N SER 190.A O no hydrogen 3.322 N/A SER 200.A N LYS 208.A O no hydrogen 2.942 N/A SER 200.A OG HIS 182.A NE2 no hydrogen 3.151 N/A GLY 201.A N SER 188.A O no hydrogen 3.382 N/A ALA 202.A N SER 206.A O no hydrogen 3.001 N/A CYS 203.A N ASP 185.A O no hydrogen 2.890 N/A CYS 203.A SG ASP 185.A O no hydrogen 3.145 N/A SER 206.A OG ASP 204.A OD1 no hydrogen 2.624 N/A ALA 207.A N PHE 221.A O no hydrogen 2.946 N/A LYS 208.A N SER 200.A O no hydrogen 2.875 N/A LYS 208.A NZ THR 220.A OG1 no hydrogen 3.133 N/A LEU 209.A N GLN 219.A O no hydrogen 2.922 N/A TRP 210.A N PHE 198.A O no hydrogen 2.864 N/A TRP 210.A NE1 SER 200.A OG no hydrogen 2.895 N/A VAL 212.A N ARG 196.A O no hydrogen 3.185 N/A ARG 213.A N ASP 211.A OD1 no hydrogen 2.619 N/A GLY 215.A N ASP 211.A O no hydrogen 3.186 N/A CYS 217.A SG LEU 209.A O no hydrogen 3.478 N/A CYS 217.A SG GLN 219.A O no hydrogen 3.282 N/A CYS 217.A SG THR 220.A OG1 no hydrogen 3.722 N/A ARG 218.A N LEU 209.A O no hydrogen 3.020 N/A GLN 219.A NE2 LEU 254.A O no hydrogen 3.425 N/A PHE 221.A N ALA 207.A O no hydrogen 2.873 N/A HIS 224.A NE2 THR 242.A OG1 no hydrogen 2.796 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.773 N/A SER 226.A OG ASP 246.A OD1 no hydrogen 3.131 N/A ILE 228.A N ALA 202.A O no hydrogen 3.408 N/A ASN 229.A N GLY 243.A O no hydrogen 2.922 N/A ASN 229.A ND2 ASP 245.A OD2 no hydrogen 3.536 N/A ASN 229.A ND2 ILE 272.A O no hydrogen 3.385 N/A CYS 232.A N ALA 241.A O no hydrogen 3.120 N/A CYS 232.A SG PHE 233.A O no hydrogen 3.865 N/A PHE 234.A N ALA 239.A O no hydrogen 2.915 N/A PHE 240.A N PHE 252.A O no hydrogen 2.918 N/A THR 242.A N ARG 250.A O no hydrogen 2.925 N/A THR 242.A OG1 HIS 224.A NE2 no hydrogen 2.796 N/A THR 242.A OG1 ARG 250.A O no hydrogen 3.221 N/A GLY 243.A N ALA 230.A O no hydrogen 3.226 N/A SER 244.A N THR 248.A O no hydrogen 3.397 N/A SER 244.A OG HIS 224.A ND1 no hydrogen 3.417 N/A SER 244.A OG ASP 246.A OD1 no hydrogen 2.578 N/A ASP 245.A N ASP 227.A O no hydrogen 3.286 N/A ASP 246.A N SER 244.A OG no hydrogen 3.232 N/A CYS 249.A N TYR 263.A O no hydrogen 3.347 N/A LEU 251.A N MET 261.A O no hydrogen 2.926 N/A PHE 252.A N PHE 240.A O no hydrogen 2.884 N/A ASP 253.A N GLN 258.A O no hydrogen 3.285 N/A LEU 254.A N ASN 238.A O no hydrogen 2.961 N/A LEU 260.A N LEU 251.A O no hydrogen 2.797 N/A THR 262.A OG1 THR 248.A OG1 no hydrogen 3.253 N/A TYR 263.A N CYS 249.A O no hydrogen 2.867 N/A TYR 263.A OH ALA 298.A O no hydrogen 2.756 N/A ILE 268.A N HIS 265.A O no hydrogen 3.248 N/A ILE 272.A N SER 244.A O no hydrogen 3.056 N/A THR 273.A OG1 VAL 314.A O no hydrogen 2.401 N/A SER 276.A N LEU 285.A O no hydrogen 2.895 N/A SER 276.A OG VAL 275.A O no hydrogen 2.783 N/A SER 278.A N LEU 283.A O no hydrogen 3.134 N/A LYS 279.A N SER 278.A OG no hydrogen 2.711 N/A LYS 279.A NZ ASP 321.A O no hydrogen 2.905 N/A ARG 282.A N SER 280.A OG no hydrogen 3.311 N/A ARG 282.A NE ASP 297.A OD1 no hydrogen 3.010 N/A ARG 282.A NH1 ASP 37.A O no hydrogen 3.502 N/A ARG 282.A NH2 ASP 37.A O no hydrogen 2.870 N/A ARG 282.A NH2 ASP 297.A OD2 no hydrogen 3.112 N/A LEU 284.A N TRP 296.A O no hydrogen 2.933 N/A LEU 285.A N SER 276.A O no hydrogen 2.918 N/A ALA 286.A N ASN 294.A O no hydrogen 2.933 N/A GLY 287.A N SER 274.A O no hydrogen 3.107 N/A TYR 288.A N ASN 292.A O no hydrogen 2.975 N/A ASP 289.A N GLY 271.A O no hydrogen 3.228 N/A ASN 292.A ND2 ASP 290.A O no hydrogen 3.291 N/A CYS 293.A SG ALA 286.A O no hydrogen 3.846 N/A ASN 294.A N ALA 286.A O no hydrogen 2.900 N/A VAL 295.A N GLY 305.A O no hydrogen 3.242 N/A TRP 296.A N LEU 284.A O no hydrogen 2.855 N/A TRP 296.A NE1 TYR 288.A OH no hydrogen 3.174 N/A ASP 297.A N ASP 302.A O no hydrogen 3.297 N/A ALA 298.A N ARG 282.A O no hydrogen 2.870 N/A LEU 299.A N ASP 297.A OD1 no hydrogen 3.461 N/A LYS 300.A N ASP 297.A O no hydrogen 3.368 N/A LYS 300.A NZ ILE 36.A O no hydrogen 2.718 N/A ALA 301.A N ASP 297.A O no hydrogen 3.261 N/A ALA 304.A N VAL 295.A O no hydrogen 2.819 N/A LEU 307.A N CYS 293.A O no hydrogen 2.853 N/A HIS 310.A NE2 THR 328.A OG1 no hydrogen 2.968 N/A ASP 311.A N ASP 332.A OD2 no hydrogen 3.195 N/A ARG 313.A N ASN 312.A OD1 no hydrogen 2.784 N/A SER 315.A N GLY 329.A O no hydrogen 2.936 N/A SER 315.A OG ILE 57.A O no hydrogen 3.439 N/A CYS 316.A N GLY 329.A O no hydrogen 3.431 N/A GLY 318.A N ALA 327.A O no hydrogen 2.910 N/A THR 320.A N ALA 325.A O no hydrogen 3.159 N/A THR 320.A OG1 ALA 325.A O no hydrogen 2.595 N/A ASP 322.A N ASP 322.A OD1 no hydrogen 2.481 N/A GLY 323.A N THR 320.A O no hydrogen 3.010 N/A VAL 326.A N TRP 338.A O no hydrogen 3.397 N/A ALA 327.A N GLY 318.A O no hydrogen 2.880 N/A THR 328.A N LYS 336.A O no hydrogen 2.923 N/A THR 328.A OG1 HIS 310.A NE2 no hydrogen 2.968 N/A GLY 329.A N CYS 316.A O no hydrogen 2.918 N/A SER 330.A N PHE 334.A O no hydrogen 2.972 N/A SER 330.A OG ARG 313.A O no hydrogen 2.671 N/A TRP 331.A N ARG 313.A O no hydrogen 2.999 N/A SER 333.A N SER 330.A O no hydrogen 3.339 N/A SER 333.A OG HIS 53.A O no hydrogen 3.525 N/A SER 333.A OG ASP 332.A O no hydrogen 2.572 N/A LYS 336.A N THR 328.A O no hydrogen 2.885 N/A LYS 336.A NZ GLY 309.A O no hydrogen 2.896 N/A ILE 337.A N ARG 48.A O no hydrogen 3.020 N/A TRP 338.A N VAL 326.A O no hydrogen 2.870 N/A TRP 338.A NE1 THR 328.A OG1 no hydrogen 2.755 N/A