Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6xox_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 4.A OD2 no hydrogen 3.075 N/A GLN 5.A N SER 1.A O no hydrogen 3.241 N/A LEU 6.A N GLU 2.A O no hydrogen 2.983 N/A ARG 7.A N LEU 3.A O no hydrogen 2.920 N/A GLN 8.A N ASP 4.A O no hydrogen 2.867 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 2.886 N/A GLU 11.A N ARG 7.A O no hydrogen 2.909 N/A GLN 12.A N GLN 8.A O no hydrogen 2.922 N/A LEU 13.A N GLU 9.A O no hydrogen 2.874 N/A LYS 14.A N ALA 10.A O no hydrogen 2.906 N/A ASN 15.A N GLU 11.A O no hydrogen 2.966 N/A ASN 15.A ND2 GLU 11.A OE2 no hydrogen 2.763 N/A GLN 16.A N GLN 12.A O no hydrogen 2.897 N/A ILE 17.A N LEU 13.A O no hydrogen 2.923 N/A ARG 18.A N LYS 14.A O no hydrogen 2.903 N/A ARG 18.A NH1 ASN 15.A OD1 no hydrogen 3.364 N/A ASP 19.A N ASN 15.A O no hydrogen 2.889 N/A ALA 20.A N GLN 16.A O no hydrogen 2.941 N/A ARG 21.A N ILE 17.A O no hydrogen 2.882 N/A LYS 22.A N ARG 18.A O no hydrogen 2.893 N/A ALA 23.A N ASP 19.A O no hydrogen 2.932 N/A CYS 24.A SG ALA 20.A O no hydrogen 3.898 N/A THR 28.A OG1 SER 30.A OG no hydrogen 2.905 N/A SER 30.A OG THR 28.A OG1 no hydrogen 2.905 N/A GLN 31.A N THR 28.A O no hydrogen 2.946 N/A ILE 32.A N THR 28.A O no hydrogen 3.466 N/A THR 33.A OG1 LEU 29.A O no hydrogen 2.401 N/A THR 33.A OG1 LEU 299.A O no hydrogen 2.561 N/A ILE 42.A N ALA 304.A O no hydrogen 3.488 N/A GLN 43.A N GLN 43.A OE1 no hydrogen 2.949 N/A MET 44.A N ILE 42.A O no hydrogen 2.900 N/A ARG 45.A N ASN 339.A OXT no hydrogen 3.110 N/A ARG 47.A N ILE 337.A O no hydrogen 2.693 N/A ARG 48.A NE SER 83.A O no hydrogen 3.325 N/A ARG 48.A NE TYR 84.A O no hydrogen 3.236 N/A ARG 48.A NH2 TYR 84.A O no hydrogen 2.754 N/A LEU 50.A N LEU 335.A O no hydrogen 2.901 N/A GLY 52.A N LEU 50.A O no hydrogen 3.240 N/A HIS 53.A NE2 SER 71.A OG no hydrogen 2.356 N/A LEU 54.A N ASP 75.A OD2 no hydrogen 2.884 N/A LYS 56.A NZ GLN 74.A OE1 no hydrogen 2.780 N/A ILE 57.A N SER 330.A O no hydrogen 3.084 N/A TYR 58.A N ALA 72.A O no hydrogen 2.983 N/A ALA 59.A N ALA 72.A O no hydrogen 3.415 N/A HIS 61.A N VAL 70.A O no hydrogen 3.028 N/A TRP 62.A NE1 GLY 318.A O no hydrogen 2.659 N/A GLY 63.A N LEU 68.A O no hydrogen 2.757 N/A THR 64.A OG1 PRO 106.A O no hydrogen 2.834 N/A SER 66.A OG ASP 322.A OD1 no hydrogen 2.869 N/A ARG 67.A N ASP 65.A OD1 no hydrogen 3.250 N/A ARG 67.A NE ASP 82.A OD1 no hydrogen 3.328 N/A ARG 67.A NE ASP 82.A OD2 no hydrogen 2.974 N/A ARG 67.A NH2 ASP 82.A OD1 no hydrogen 3.271 N/A LEU 68.A N ASP 65.A OD1 no hydrogen 3.385 N/A LEU 69.A N TRP 81.A O no hydrogen 2.906 N/A VAL 70.A N HIS 61.A O no hydrogen 2.960 N/A SER 71.A N ILE 79.A O no hydrogen 3.421 N/A SER 71.A OG HIS 53.A NE2 no hydrogen 2.356 N/A SER 71.A OG ILE 79.A O no hydrogen 3.538 N/A ALA 72.A N ALA 59.A O no hydrogen 3.197 N/A SER 73.A N LYS 77.A O no hydrogen 2.927 N/A SER 73.A OG LYS 56.A O no hydrogen 2.620 N/A SER 73.A OG ASP 75.A OD1 no hydrogen 3.152 N/A GLN 74.A N LYS 56.A O no hydrogen 3.088 N/A GLN 74.A NE2 VAL 99.A O no hydrogen 3.409 N/A ASP 75.A N SER 73.A OG no hydrogen 3.393 N/A LYS 77.A N ASP 75.A OD1 no hydrogen 3.099 N/A LEU 78.A N ILE 92.A O no hydrogen 2.943 N/A ILE 79.A N SER 71.A O no hydrogen 2.962 N/A TRP 81.A N LEU 69.A O no hydrogen 2.765 N/A TRP 81.A NE1 SER 71.A OG no hydrogen 3.121 N/A ASP 82.A N ASN 87.A O no hydrogen 3.015 N/A SER 83.A N ARG 67.A O no hydrogen 3.038 N/A SER 83.A OG ARG 67.A O no hydrogen 2.358 N/A THR 85.A OG1 ASP 82.A OD1 no hydrogen 3.047 N/A THR 85.A OG1 ASN 87.A OD1 no hydrogen 2.638 N/A THR 86.A OG1 THR 86.A O no hydrogen 2.447 N/A VAL 89.A N ILE 80.A O no hydrogen 3.193 N/A ILE 92.A N LEU 78.A O no hydrogen 2.901 N/A LEU 94.A N GLY 76.A O no hydrogen 2.935 N/A TRP 98.A N SER 96.A OG no hydrogen 3.418 N/A VAL 99.A N SER 97.A O no hydrogen 3.285 N/A MET 100.A N GLY 114.A O no hydrogen 2.778 N/A THR 101.A N GLY 114.A O no hydrogen 3.196 N/A THR 101.A OG1 CYS 102.A O no hydrogen 3.501 N/A CYS 102.A SG VAL 70.A O no hydrogen 3.875 N/A ALA 103.A N ALA 112.A O no hydrogen 3.141 N/A TYR 104.A N HIS 61.A ND1 no hydrogen 3.004 N/A ALA 105.A N TYR 110.A O no hydrogen 3.072 N/A SER 107.A OG ASP 153.A OD1 no hydrogen 2.949 N/A GLY 108.A N ALA 105.A O no hydrogen 2.941 N/A ASN 109.A N SER 107.A OG no hydrogen 3.426 N/A ASN 109.A ND2 ASP 153.A OD2 no hydrogen 3.439 N/A VAL 111.A N TYR 123.A O no hydrogen 2.922 N/A ALA 112.A N ALA 103.A O no hydrogen 2.879 N/A CYS 113.A N SER 121.A O no hydrogen 2.905 N/A CYS 113.A SG SER 121.A O no hydrogen 3.880 N/A LEU 116.A N TRP 98.A O no hydrogen 3.141 N/A ASN 118.A N GLY 115.A O no hydrogen 3.210 N/A CYS 120.A N LEU 138.A O no hydrogen 2.948 N/A CYS 120.A SG CYS 113.A O no hydrogen 3.806 N/A SER 121.A N CYS 113.A O no hydrogen 2.870 N/A ILE 122.A N ARG 136.A O no hydrogen 2.821 N/A TYR 123.A N VAL 111.A O no hydrogen 2.863 N/A ASN 124.A N ARG 133.A O no hydrogen 2.878 N/A LEU 125.A N ASN 109.A O no hydrogen 2.735 N/A GLU 129.A N THR 127.A OG1 no hydrogen 3.349 N/A SER 135.A N ILE 122.A O no hydrogen 2.511 N/A ARG 136.A N ILE 122.A O no hydrogen 3.003 N/A ARG 136.A NE ILE 170.A O no hydrogen 2.842 N/A LEU 138.A N CYS 120.A O no hydrogen 2.859 N/A HIS 141.A NE2 THR 158.A OG1 no hydrogen 2.424 N/A THR 142.A N ASP 162.A OD2 no hydrogen 2.481 N/A THR 142.A OG1 ASP 162.A OD2 no hydrogen 2.250 N/A GLY 143.A N ASP 162.A OD2 no hydrogen 2.884 N/A LEU 145.A N GLY 115.A O no hydrogen 2.998 N/A SER 146.A N SER 159.A O no hydrogen 2.941 N/A SER 146.A OG SER 159.A O no hydrogen 3.483 N/A SER 146.A OG SER 159.A OG no hydrogen 2.844 N/A SER 146.A OG VAL 186.A O no hydrogen 2.313 N/A CYS 147.A SG LEU 189.A O no hydrogen 3.748 N/A CYS 148.A SG THR 101.A OG1 no hydrogen 3.715 N/A ARG 149.A N VAL 157.A O no hydrogen 2.897 N/A ARG 149.A NH1 CYS 102.A O no hydrogen 3.043 N/A ARG 149.A NH1 CYS 148.A O no hydrogen 2.525 N/A LEU 151.A N GLN 155.A O no hydrogen 3.140 N/A ASN 154.A N ASP 152.A OD1 no hydrogen 3.252 N/A GLN 155.A N ASP 152.A OD1 no hydrogen 3.027 N/A ILE 156.A N TRP 168.A O no hydrogen 3.003 N/A VAL 157.A N ARG 149.A O no hydrogen 2.969 N/A THR 158.A N ALA 166.A O no hydrogen 2.897 N/A THR 158.A OG1 HIS 141.A NE2 no hydrogen 2.424 N/A THR 158.A OG1 ALA 166.A O no hydrogen 3.518 N/A SER 159.A N CYS 147.A O no hydrogen 2.897 N/A SER 159.A OG SER 146.A OG no hydrogen 2.844 N/A SER 159.A OG CYS 147.A O no hydrogen 3.309 N/A SER 159.A OG VAL 186.A O no hydrogen 3.521 N/A SER 160.A N THR 164.A O no hydrogen 2.938 N/A SER 160.A OG TYR 144.A O no hydrogen 2.565 N/A SER 160.A OG ASP 162.A OD1 no hydrogen 3.084 N/A GLY 161.A N TYR 144.A O no hydrogen 2.551 N/A THR 163.A OG1 ASP 162.A O no hydrogen 2.597 N/A THR 164.A OG1 HIS 141.A ND1 no hydrogen 3.408 N/A THR 164.A OG1 ASP 162.A OD1 no hydrogen 2.635 N/A CYS 165.A N PHE 179.A O no hydrogen 2.973 N/A ALA 166.A N THR 158.A O no hydrogen 2.876 N/A LEU 167.A N THR 177.A O no hydrogen 2.866 N/A TRP 168.A N ILE 156.A O no hydrogen 2.855 N/A TRP 168.A NE1 THR 158.A OG1 no hydrogen 2.827 N/A ASP 169.A N GLN 174.A O no hydrogen 3.040 N/A ILE 170.A N ASN 154.A O no hydrogen 2.978 N/A THR 172.A OG1 ASP 169.A O no hydrogen 3.384 N/A GLY 173.A N ASP 169.A O no hydrogen 2.816 N/A THR 177.A N LEU 167.A O no hydrogen 3.012 N/A THR 177.A OG1 THR 178.A O no hydrogen 2.912 N/A THR 178.A OG1 CYS 165.A O no hydrogen 3.366 N/A PHE 179.A N CYS 165.A O no hydrogen 2.837 N/A HIS 182.A NE2 SER 200.A OG no hydrogen 2.614 N/A THR 183.A N ASP 204.A OD2 no hydrogen 2.957 N/A THR 183.A OG1 ASP 204.A OD2 no hydrogen 2.766 N/A VAL 186.A N SER 160.A O no hydrogen 3.074 N/A SER 188.A N GLY 201.A O no hydrogen 2.973 N/A SER 190.A N VAL 199.A O no hydrogen 2.913 N/A SER 190.A OG LEU 191.A O no hydrogen 3.515 N/A THR 195.A OG1 PRO 193.A O no hydrogen 3.364 N/A VAL 199.A N SER 190.A O no hydrogen 2.960 N/A SER 200.A N LYS 208.A O no hydrogen 2.900 N/A SER 200.A OG HIS 182.A NE2 no hydrogen 2.614 N/A GLY 201.A N SER 188.A O no hydrogen 2.864 N/A CYS 203.A N ASP 185.A O no hydrogen 2.497 N/A SER 206.A OG ASP 204.A OD1 no hydrogen 2.727 N/A ALA 207.A N PHE 221.A O no hydrogen 2.949 N/A LYS 208.A N SER 200.A O no hydrogen 2.929 N/A LYS 208.A NZ THR 220.A OG1 no hydrogen 3.113 N/A LEU 209.A N GLN 219.A O no hydrogen 2.843 N/A TRP 210.A N PHE 198.A O no hydrogen 2.907 N/A TRP 210.A NE1 SER 200.A OG no hydrogen 2.960 N/A ASP 211.A N MET 216.A O no hydrogen 3.167 N/A VAL 212.A N ARG 196.A O no hydrogen 3.139 N/A GLY 215.A N ASP 211.A O no hydrogen 2.742 N/A CYS 217.A SG LEU 209.A O no hydrogen 3.993 N/A CYS 217.A SG GLN 219.A O no hydrogen 3.229 N/A CYS 217.A SG THR 220.A OG1 no hydrogen 3.044 N/A ARG 218.A N LEU 209.A O no hydrogen 2.862 N/A GLN 219.A N LEU 209.A O no hydrogen 3.069 N/A GLN 219.A NE2 LEU 254.A O no hydrogen 2.958 N/A PHE 221.A N ALA 207.A O no hydrogen 2.842 N/A THR 222.A OG1 THR 222.A O no hydrogen 2.572 N/A HIS 224.A ND1 ASP 246.A OD1 no hydrogen 3.142 N/A HIS 224.A ND1 ASP 246.A OD2 no hydrogen 2.954 N/A HIS 224.A NE2 THR 242.A OG1 no hydrogen 2.729 N/A GLU 225.A N ASP 246.A OD2 no hydrogen 3.304 N/A ILE 228.A N ALA 202.A O no hydrogen 2.762 N/A ASN 229.A N GLY 243.A O no hydrogen 2.840 N/A ASN 229.A ND2 ASP 245.A OD1 no hydrogen 2.413 N/A ASN 229.A ND2 ILE 272.A O no hydrogen 2.953 N/A ALA 230.A N GLY 243.A O no hydrogen 3.345 N/A CYS 232.A N ALA 241.A O no hydrogen 2.862 N/A CYS 232.A SG PHE 233.A O no hydrogen 3.603 N/A PHE 233.A N SER 190.A OG no hydrogen 3.047 N/A PHE 234.A N ALA 239.A O no hydrogen 2.890 N/A GLY 237.A N PHE 234.A O no hydrogen 2.851 N/A ASN 238.A N ASN 236.A OD1 no hydrogen 3.111 N/A PHE 240.A N PHE 252.A O no hydrogen 2.947 N/A ALA 241.A N CYS 232.A O no hydrogen 2.814 N/A THR 242.A N ARG 250.A O no hydrogen 2.880 N/A THR 242.A OG1 HIS 224.A NE2 no hydrogen 2.729 N/A THR 242.A OG1 ARG 250.A O no hydrogen 3.146 N/A GLY 243.A N ALA 230.A O no hydrogen 3.152 N/A SER 244.A N THR 248.A O no hydrogen 3.405 N/A SER 244.A OG SER 226.A O no hydrogen 3.565 N/A ASP 245.A N ASP 227.A O no hydrogen 3.247 N/A THR 248.A N ASP 246.A OD1 no hydrogen 3.315 N/A THR 248.A OG1 ASP 246.A OD1 no hydrogen 2.696 N/A THR 248.A OG1 ASP 246.A OD2 no hydrogen 3.222 N/A CYS 249.A N TYR 263.A O no hydrogen 2.958 N/A ARG 250.A N THR 242.A O no hydrogen 2.917 N/A LEU 251.A N MET 261.A O no hydrogen 2.851 N/A PHE 252.A N PHE 240.A O no hydrogen 2.873 N/A ASP 253.A N GLN 258.A O no hydrogen 3.100 N/A LEU 254.A N ASN 238.A O no hydrogen 2.690 N/A ALA 256.A N ASP 253.A OD2 no hydrogen 2.239 N/A LEU 260.A N LEU 251.A O no hydrogen 2.636 N/A MET 261.A N LEU 251.A O no hydrogen 3.046 N/A THR 262.A OG1 GLU 259.A OE2 no hydrogen 2.499 N/A TYR 263.A N CYS 249.A O no hydrogen 2.879 N/A TYR 263.A OH ALA 298.A O no hydrogen 2.987 N/A ASN 267.A ND2 HIS 265.A NE2 no hydrogen 3.392 N/A ILE 268.A N HIS 265.A O no hydrogen 3.414 N/A CYS 270.A SG GLY 271.A O no hydrogen 3.903 N/A ILE 272.A N SER 244.A O no hydrogen 2.735 N/A THR 273.A N GLY 287.A O no hydrogen 2.891 N/A SER 276.A N LEU 285.A O no hydrogen 2.947 N/A SER 276.A OG VAL 275.A O no hydrogen 2.666 N/A SER 276.A OG LEU 317.A O no hydrogen 3.033 N/A SER 278.A N LEU 283.A O no hydrogen 2.976 N/A SER 278.A OG SER 280.A OG no hydrogen 3.417 N/A LYS 279.A NZ ASP 321.A O no hydrogen 2.946 N/A SER 280.A OG SER 278.A OG no hydrogen 3.417 N/A GLY 281.A N SER 278.A O no hydrogen 3.038 N/A ARG 282.A N SER 280.A OG no hydrogen 3.035 N/A ARG 282.A NE ASP 297.A OD1 no hydrogen 2.931 N/A ARG 282.A NE ASP 297.A OD2 no hydrogen 3.460 N/A ARG 282.A NH2 ASP 37.A O no hydrogen 2.919 N/A ARG 282.A NH2 ASP 297.A OD1 no hydrogen 3.163 N/A LEU 283.A N SER 278.A OG no hydrogen 3.298 N/A LEU 284.A N TRP 296.A O no hydrogen 2.868 N/A LEU 285.A N SER 276.A O no hydrogen 2.702 N/A ALA 286.A N ASN 294.A O no hydrogen 2.914 N/A GLY 287.A N SER 274.A O no hydrogen 2.668 N/A TYR 288.A N ASN 292.A O no hydrogen 3.243 N/A ASP 289.A N GLY 271.A O no hydrogen 3.040 N/A ASN 292.A N ASP 290.A OD1 no hydrogen 3.410 N/A CYS 293.A N LEU 307.A O no hydrogen 2.973 N/A CYS 293.A SG ALA 286.A O no hydrogen 3.186 N/A CYS 293.A SG ASN 294.A O no hydrogen 3.744 N/A ASN 294.A N ALA 286.A O no hydrogen 2.933 N/A VAL 295.A N GLY 305.A O no hydrogen 2.840 N/A TRP 296.A N LEU 284.A O no hydrogen 2.905 N/A TRP 296.A NE1 TYR 288.A OH no hydrogen 2.462 N/A ASP 297.A N ASP 302.A O no hydrogen 3.071 N/A ALA 298.A N ARG 282.A O no hydrogen 2.636 N/A LEU 299.A N ASP 297.A OD2 no hydrogen 2.492 N/A LYS 300.A N ASP 297.A OD2 no hydrogen 2.300 N/A LYS 300.A NZ THR 33.A O no hydrogen 3.064 N/A ALA 301.A N ASP 297.A O no hydrogen 2.884 N/A GLY 305.A N VAL 295.A O no hydrogen 2.989 N/A LEU 307.A N CYS 293.A O no hydrogen 2.857 N/A HIS 310.A NE2 THR 328.A OG1 no hydrogen 2.474 N/A ASP 311.A N ASP 332.A OD2 no hydrogen 2.985 N/A ASN 312.A ND2 TRP 331.A O no hydrogen 3.670 N/A ARG 313.A N ASN 312.A OD1 no hydrogen 2.662 N/A ARG 313.A NE VAL 314.A O no hydrogen 3.035 N/A SER 315.A N GLY 329.A O no hydrogen 2.640 N/A SER 315.A OG ILE 57.A O no hydrogen 2.334 N/A SER 315.A OG GLY 329.A O no hydrogen 2.933 N/A CYS 316.A N GLY 329.A O no hydrogen 2.993 N/A CYS 316.A SG GLY 329.A O no hydrogen 3.406 N/A GLY 318.A N ALA 327.A O no hydrogen 2.867 N/A THR 320.A N ALA 325.A O no hydrogen 3.132 N/A THR 320.A OG1 ASP 322.A OD1 no hydrogen 2.863 N/A THR 320.A OG1 ALA 325.A O no hydrogen 3.521 N/A ASP 322.A N SER 66.A OG no hydrogen 3.141 N/A GLY 323.A N THR 320.A O no hydrogen 2.919 N/A MET 324.A N ASP 322.A OD1 no hydrogen 3.254 N/A ALA 325.A N THR 320.A OG1 no hydrogen 3.281 N/A VAL 326.A N TRP 338.A O no hydrogen 2.955 N/A ALA 327.A N GLY 318.A O no hydrogen 2.867 N/A THR 328.A N LYS 336.A O no hydrogen 2.888 N/A THR 328.A OG1 HIS 310.A NE2 no hydrogen 2.474 N/A GLY 329.A N CYS 316.A O no hydrogen 2.891 N/A SER 330.A N PHE 334.A O no hydrogen 3.445 N/A SER 330.A OG ASN 312.A O no hydrogen 2.738 N/A SER 330.A OG ARG 313.A O no hydrogen 2.514 N/A SER 330.A OG ASP 332.A OD1 no hydrogen 3.362 N/A TRP 331.A N ARG 313.A O no hydrogen 2.863 N/A ASP 332.A N SER 330.A OG no hydrogen 3.344 N/A SER 333.A OG ALA 55.A O no hydrogen 2.459 N/A LEU 335.A N LEU 50.A O no hydrogen 3.485 N/A LYS 336.A N THR 328.A O no hydrogen 2.915 N/A ILE 337.A N ARG 48.A O no hydrogen 3.287 N/A TRP 338.A N VAL 326.A O no hydrogen 2.825 N/A TRP 338.A NE1 THR 328.A OG1 no hydrogen 3.098 N/A ASN 339.A N ARG 45.A O no hydrogen 3.432 N/A