Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6oij_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A NE2 SER 1.A O no hydrogen 2.607 N/A GLN 5.A NE2 SER 1.A OG no hydrogen 3.389 N/A LEU 6.A N GLU 2.A O no hydrogen 2.947 N/A ARG 7.A N LEU 3.A O no hydrogen 2.930 N/A ARG 7.A NH2 ASP 4.A OD2 no hydrogen 3.510 N/A GLN 8.A N ASP 4.A O no hydrogen 2.970 N/A GLU 9.A N GLN 5.A O no hydrogen 2.880 N/A ALA 10.A N LEU 6.A O no hydrogen 2.933 N/A GLU 11.A N ARG 7.A O no hydrogen 2.962 N/A GLN 12.A N GLN 8.A O no hydrogen 2.901 N/A LEU 13.A N GLU 9.A O no hydrogen 2.919 N/A LYS 14.A N ALA 10.A O no hydrogen 2.921 N/A ASN 15.A N GLU 11.A O no hydrogen 2.929 N/A GLN 16.A N GLN 12.A O no hydrogen 2.874 N/A ILE 17.A N LEU 13.A O no hydrogen 2.907 N/A ARG 18.A N LYS 14.A O no hydrogen 2.930 N/A ARG 18.A NE ASN 15.A OD1 no hydrogen 3.368 N/A ARG 18.A NH2 ASN 15.A OD1 no hydrogen 2.488 N/A ASP 19.A N ASN 15.A O no hydrogen 2.942 N/A ALA 20.A N GLN 16.A O no hydrogen 2.910 N/A ARG 21.A N ILE 17.A O no hydrogen 2.879 N/A LYS 22.A N ARG 18.A O no hydrogen 2.930 N/A ALA 23.A N ASP 19.A O no hydrogen 3.266 N/A CYS 24.A N ALA 20.A O no hydrogen 3.070 N/A CYS 24.A SG ALA 256.A O no hydrogen 3.891 N/A ALA 25.A N ARG 21.A O no hydrogen 3.219 N/A ALA 25.A N LYS 22.A O no hydrogen 3.301 N/A GLN 31.A N THR 28.A O no hydrogen 3.196 N/A THR 33.A N LEU 29.A O no hydrogen 3.319 N/A THR 33.A OG1 LEU 29.A O no hydrogen 2.884 N/A THR 33.A OG1 LEU 299.A O no hydrogen 2.952 N/A ILE 42.A N ALA 304.A O no hydrogen 3.016 N/A ARG 45.A N ASN 339.A O no hydrogen 2.913 N/A ARG 47.A N ILE 337.A O no hydrogen 2.896 N/A ARG 48.A NE TYR 84.A O no hydrogen 2.917 N/A ARG 48.A NH2 TYR 84.A O no hydrogen 2.658 N/A LEU 50.A N LEU 335.A O no hydrogen 3.166 N/A GLY 52.A N LEU 50.A O no hydrogen 3.183 N/A ILE 57.A N SER 330.A O no hydrogen 3.293 N/A TYR 58.A N ALA 72.A O no hydrogen 2.967 N/A ALA 59.A N ALA 72.A O no hydrogen 3.477 N/A HIS 61.A N VAL 70.A O no hydrogen 3.216 N/A TRP 62.A NE1 GLY 318.A O no hydrogen 2.917 N/A GLY 63.A N LEU 68.A O no hydrogen 2.928 N/A SER 66.A N GLY 63.A O no hydrogen 3.125 N/A SER 66.A OG ASP 322.A OD1 no hydrogen 3.245 N/A ARG 67.A NE ASP 82.A OD1 no hydrogen 2.481 N/A ARG 67.A NH2 ASP 82.A OD2 no hydrogen 3.104 N/A LEU 69.A N TRP 81.A O no hydrogen 2.978 N/A VAL 70.A N HIS 61.A O no hydrogen 3.269 N/A SER 71.A N ILE 79.A O no hydrogen 2.950 N/A ALA 72.A N ALA 59.A O no hydrogen 2.962 N/A SER 73.A OG HIS 53.A ND1 no hydrogen 2.605 N/A SER 73.A OG ASP 75.A OD1 no hydrogen 2.266 N/A GLN 74.A N LYS 56.A O no hydrogen 3.142 N/A GLY 76.A N SER 73.A O no hydrogen 3.353 N/A LEU 78.A N ILE 92.A O no hydrogen 2.977 N/A ILE 79.A N SER 71.A O no hydrogen 2.969 N/A ILE 80.A N HIS 90.A O no hydrogen 2.908 N/A TRP 81.A N LEU 69.A O no hydrogen 2.874 N/A ASP 82.A N ASN 87.A O no hydrogen 2.907 N/A SER 83.A N ARG 67.A O no hydrogen 3.139 N/A SER 83.A OG ARG 67.A O no hydrogen 2.726 N/A THR 85.A OG1 ASP 82.A OD2 no hydrogen 3.008 N/A THR 86.A OG1 THR 85.A O no hydrogen 2.652 N/A HIS 90.A N ILE 80.A O no hydrogen 2.994 N/A ILE 92.A N LEU 78.A O no hydrogen 2.794 N/A LEU 94.A N GLY 76.A O no hydrogen 3.045 N/A TRP 98.A N SER 96.A OG no hydrogen 3.383 N/A MET 100.A N GLY 114.A O no hydrogen 2.911 N/A THR 101.A N GLY 114.A O no hydrogen 3.043 N/A CYS 102.A SG ALA 59.A O no hydrogen 3.273 N/A CYS 102.A SG VAL 70.A O no hydrogen 3.904 N/A ALA 103.A N ALA 112.A O no hydrogen 2.961 N/A TYR 104.A N HIS 61.A ND1 no hydrogen 3.017 N/A ALA 105.A N TYR 110.A O no hydrogen 3.233 N/A SER 107.A OG ASP 153.A OD1 no hydrogen 2.674 N/A GLY 108.A N ALA 105.A O no hydrogen 2.989 N/A ASN 109.A N SER 107.A OG no hydrogen 3.363 N/A VAL 111.A N TYR 123.A O no hydrogen 2.957 N/A ALA 112.A N ALA 103.A O no hydrogen 3.011 N/A CYS 113.A N SER 121.A O no hydrogen 2.944 N/A GLY 114.A N THR 101.A O no hydrogen 3.150 N/A LEU 116.A N TRP 98.A O no hydrogen 2.975 N/A ASN 118.A N GLY 115.A O no hydrogen 3.401 N/A CYS 120.A N LEU 138.A O no hydrogen 2.975 N/A SER 121.A N CYS 113.A O no hydrogen 2.900 N/A ILE 122.A N ARG 136.A O no hydrogen 2.870 N/A TYR 123.A N VAL 111.A O no hydrogen 2.871 N/A ASN 124.A N ARG 133.A O no hydrogen 2.920 N/A LEU 125.A N ASN 109.A O no hydrogen 2.870 N/A THR 127.A OG1 LEU 125.A O no hydrogen 2.861 N/A THR 127.A OG1 ASN 131.A O no hydrogen 3.271 N/A SER 135.A N ILE 122.A O no hydrogen 2.698 N/A SER 135.A OG ILE 122.A O no hydrogen 2.556 N/A ARG 136.A N ILE 122.A O no hydrogen 3.079 N/A ARG 136.A NE ILE 170.A O no hydrogen 2.542 N/A LEU 138.A N CYS 120.A O no hydrogen 2.836 N/A HIS 141.A NE2 THR 158.A O no hydrogen 2.975 N/A HIS 141.A NE2 THR 158.A OG1 no hydrogen 3.136 N/A THR 142.A OG1 ASP 162.A OD2 no hydrogen 3.322 N/A LEU 145.A N GLY 115.A O no hydrogen 3.230 N/A SER 146.A N SER 159.A O no hydrogen 2.893 N/A SER 146.A OG MET 187.A O no hydrogen 2.324 N/A CYS 147.A SG LEU 189.A O no hydrogen 4.003 N/A ARG 149.A N VAL 157.A O no hydrogen 3.128 N/A ARG 149.A NH1 CYS 148.A O no hydrogen 2.397 N/A LEU 151.A N GLN 155.A O no hydrogen 3.313 N/A VAL 157.A N ARG 149.A O no hydrogen 3.074 N/A THR 158.A OG1 HIS 141.A NE2 no hydrogen 3.136 N/A THR 158.A OG1 THR 158.A O no hydrogen 2.579 N/A SER 160.A OG TYR 144.A O no hydrogen 3.127 N/A SER 160.A OG ASP 162.A OD1 no hydrogen 2.854 N/A ASP 162.A N SER 160.A OG no hydrogen 3.309 N/A THR 163.A OG1 ASP 162.A O no hydrogen 2.664 N/A THR 163.A OG1 HIS 182.A O no hydrogen 3.352 N/A THR 164.A OG1 ASP 162.A O no hydrogen 3.044 N/A CYS 165.A SG SER 200.A OG no hydrogen 2.927 N/A TRP 168.A N ILE 156.A O no hydrogen 3.034 N/A TRP 168.A NE1 THR 158.A OG1 no hydrogen 2.595 N/A ASP 169.A N GLN 174.A O no hydrogen 3.186 N/A ILE 170.A N ASN 154.A O no hydrogen 3.182 N/A THR 172.A N ASP 169.A O no hydrogen 3.277 N/A THR 172.A N ASP 169.A OD2 no hydrogen 3.176 N/A THR 172.A OG1 ASP 169.A O no hydrogen 3.459 N/A THR 172.A OG1 ASP 169.A OD2 no hydrogen 2.515 N/A GLY 173.A N ASP 169.A O no hydrogen 2.850 N/A GLN 175.A NE2 GLY 140.A O no hydrogen 3.648 N/A THR 176.A N LEU 167.A O no hydrogen 2.821 N/A THR 176.A OG1 LEU 167.A O no hydrogen 3.291 N/A THR 177.A N LEU 167.A O no hydrogen 3.414 N/A THR 178.A OG1 GLN 175.A OE1 no hydrogen 3.503 N/A PHE 179.A N CYS 165.A O no hydrogen 2.810 N/A THR 183.A N ASP 204.A OD2 no hydrogen 2.865 N/A THR 183.A OG1 ASP 204.A OD2 no hydrogen 2.334 N/A GLY 184.A N ASP 204.A OD2 no hydrogen 2.806 N/A MET 187.A N GLY 201.A O no hydrogen 2.660 N/A SER 188.A N GLY 201.A O no hydrogen 2.997 N/A SER 190.A N VAL 199.A O no hydrogen 2.953 N/A SER 190.A OG LEU 191.A O no hydrogen 3.505 N/A THR 195.A OG1 ALA 192.A O no hydrogen 2.797 N/A THR 195.A OG1 PRO 193.A O no hydrogen 3.404 N/A VAL 199.A N SER 190.A O no hydrogen 2.938 N/A SER 200.A N LYS 208.A O no hydrogen 2.934 N/A SER 200.A OG SER 188.A O no hydrogen 3.446 N/A GLY 201.A N SER 188.A O no hydrogen 2.874 N/A CYS 203.A SG ASP 185.A O no hydrogen 3.158 N/A CYS 203.A SG ASP 227.A OD1 no hydrogen 3.711 N/A CYS 203.A SG ASP 227.A OD2 no hydrogen 3.264 N/A SER 206.A OG ASP 204.A OD1 no hydrogen 2.688 N/A ALA 207.A N PHE 221.A O no hydrogen 3.062 N/A LYS 208.A NZ GLY 181.A O no hydrogen 2.608 N/A LEU 209.A N GLN 219.A O no hydrogen 3.011 N/A TRP 210.A N PHE 198.A O no hydrogen 2.913 N/A VAL 212.A N ARG 196.A O no hydrogen 3.270 N/A GLU 214.A N ASP 211.A OD2 no hydrogen 3.394 N/A GLY 215.A N ASP 211.A OD1 no hydrogen 3.517 N/A CYS 217.A SG LEU 209.A O no hydrogen 3.313 N/A CYS 217.A SG GLN 219.A O no hydrogen 3.241 N/A CYS 217.A SG THR 220.A OG1 no hydrogen 3.738 N/A ARG 218.A N LEU 209.A O no hydrogen 2.765 N/A GLN 219.A NE2 LEU 254.A O no hydrogen 3.069 N/A PHE 221.A N ALA 207.A O no hydrogen 3.397 N/A HIS 224.A NE2 THR 242.A OG1 no hydrogen 3.161 N/A ASN 229.A N GLY 243.A O no hydrogen 3.057 N/A ALA 230.A N GLY 243.A O no hydrogen 2.985 N/A CYS 232.A N ALA 241.A O no hydrogen 2.981 N/A CYS 232.A SG PHE 233.A O no hydrogen 3.644 N/A PHE 233.A N SER 190.A OG no hydrogen 2.962 N/A PHE 234.A N ALA 239.A O no hydrogen 2.780 N/A ASN 238.A N ASN 236.A OD1 no hydrogen 2.633 N/A PHE 240.A N PHE 252.A O no hydrogen 3.075 N/A ALA 241.A N CYS 232.A O no hydrogen 2.863 N/A THR 242.A N ARG 250.A O no hydrogen 2.913 N/A THR 242.A OG1 HIS 224.A NE2 no hydrogen 3.161 N/A THR 242.A OG1 ARG 250.A O no hydrogen 2.473 N/A GLY 243.A N ALA 230.A O no hydrogen 2.867 N/A SER 244.A N THR 248.A O no hydrogen 2.977 N/A SER 244.A OG HIS 224.A ND1 no hydrogen 3.144 N/A SER 244.A OG ASP 246.A OD1 no hydrogen 2.252 N/A SER 244.A OG THR 248.A O no hydrogen 3.488 N/A SER 244.A OG THR 248.A OG1 no hydrogen 3.028 N/A ASP 245.A N ASP 227.A O no hydrogen 2.555 N/A THR 248.A OG1 SER 244.A OG no hydrogen 3.028 N/A THR 248.A OG1 ASP 246.A OD1 no hydrogen 2.355 N/A CYS 249.A N TYR 263.A O no hydrogen 3.326 N/A ARG 250.A N THR 242.A O no hydrogen 2.901 N/A LEU 251.A N MET 261.A O no hydrogen 3.101 N/A PHE 252.A N PHE 240.A O no hydrogen 2.894 N/A ASP 253.A N GLN 258.A O no hydrogen 3.014 N/A LEU 254.A N ASN 238.A O no hydrogen 3.097 N/A ASP 257.A N ASP 253.A O no hydrogen 3.100 N/A LEU 260.A N LEU 251.A O no hydrogen 2.847 N/A THR 262.A OG1 CYS 249.A O no hydrogen 3.357 N/A TYR 263.A N CYS 249.A O no hydrogen 2.619 N/A TYR 263.A OH ALA 298.A O no hydrogen 3.236 N/A CYS 270.A SG ASP 290.A OD1 no hydrogen 3.276 N/A ILE 272.A N SER 244.A O no hydrogen 3.376 N/A THR 273.A N GLY 287.A O no hydrogen 2.871 N/A THR 273.A OG1 GLY 287.A O no hydrogen 2.730 N/A THR 273.A OG1 VAL 314.A O no hydrogen 2.306 N/A SER 274.A OG SER 315.A O no hydrogen 2.939 N/A SER 276.A N LEU 285.A O no hydrogen 2.920 N/A SER 276.A OG PHE 277.A O no hydrogen 3.433 N/A SER 278.A N LEU 283.A O no hydrogen 3.270 N/A SER 278.A OG LEU 283.A O no hydrogen 3.107 N/A LEU 284.A N TRP 296.A O no hydrogen 2.870 N/A LEU 285.A N SER 276.A O no hydrogen 2.858 N/A ALA 286.A N ASN 294.A O no hydrogen 2.975 N/A GLY 287.A N SER 274.A O no hydrogen 2.892 N/A TYR 288.A N ASN 292.A O no hydrogen 3.386 N/A CYS 293.A N LEU 307.A O no hydrogen 2.945 N/A ASN 294.A N ALA 286.A O no hydrogen 2.880 N/A VAL 295.A N GLY 305.A O no hydrogen 2.994 N/A TRP 296.A N LEU 284.A O no hydrogen 2.833 N/A TRP 296.A NE1 TYR 288.A OH no hydrogen 2.452 N/A ASP 297.A N ASP 302.A O no hydrogen 2.633 N/A ALA 298.A N ARG 282.A O no hydrogen 2.788 N/A LEU 299.A N ASP 297.A OD2 no hydrogen 2.924 N/A LYS 300.A N ASP 297.A OD2 no hydrogen 2.486 N/A LYS 300.A NZ THR 33.A O no hydrogen 2.401 N/A LYS 300.A NZ ILE 36.A O no hydrogen 3.059 N/A ALA 301.A N ASP 297.A O no hydrogen 3.068 N/A ASP 302.A N ASP 302.A OD1 no hydrogen 2.463 N/A ARG 303.A NE HIS 265.A ND1 no hydrogen 3.089 N/A ALA 304.A N VAL 295.A O no hydrogen 2.444 N/A LEU 307.A N CYS 293.A O no hydrogen 2.856 N/A HIS 310.A NE2 THR 328.A OG1 no hydrogen 3.038 N/A ASP 311.A N ASP 332.A OD2 no hydrogen 2.934 N/A ARG 313.A N ASN 312.A OD1 no hydrogen 2.828 N/A SER 315.A OG ILE 57.A O no hydrogen 2.280 N/A CYS 316.A N GLY 329.A O no hydrogen 2.980 N/A CYS 316.A SG SER 315.A OG no hydrogen 3.728 N/A CYS 316.A SG GLY 329.A O no hydrogen 3.233 N/A GLY 318.A N ALA 327.A O no hydrogen 2.954 N/A THR 320.A N ALA 325.A O no hydrogen 3.500 N/A THR 320.A OG1 ASP 322.A OD1 no hydrogen 2.856 N/A ASP 322.A N THR 320.A OG1 no hydrogen 3.307 N/A GLY 323.A N THR 320.A O no hydrogen 3.333 N/A MET 324.A N THR 320.A OG1 no hydrogen 3.072 N/A VAL 326.A N TRP 338.A O no hydrogen 2.960 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 2.913 N/A THR 328.A OG1 HIS 310.A NE2 no hydrogen 3.038 N/A THR 328.A OG1 LYS 336.A O no hydrogen 3.072 N/A GLY 329.A N CYS 316.A O no hydrogen 2.917 N/A SER 330.A N PHE 334.A O no hydrogen 3.032 N/A SER 330.A OG ASN 312.A O no hydrogen 3.306 N/A SER 330.A OG ARG 313.A O no hydrogen 2.650 N/A SER 330.A OG ASP 332.A OD1 no hydrogen 2.641 N/A TRP 331.A N ARG 313.A O no hydrogen 2.906 N/A ASP 332.A N SER 330.A OG no hydrogen 3.392 N/A SER 333.A OG LEU 54.A O no hydrogen 2.789 N/A SER 333.A OG ALA 55.A O no hydrogen 2.314 N/A LYS 336.A N THR 328.A O no hydrogen 2.900 N/A LYS 336.A NZ GLY 309.A O no hydrogen 3.386 N/A ILE 337.A N ARG 48.A O no hydrogen 3.139 N/A TRP 338.A N VAL 326.A O no hydrogen 2.796 N/A TRP 338.A NE1 THR 328.A OG1 no hydrogen 2.460 N/A ASN 339.A N ARG 45.A O no hydrogen 2.985 N/A ASN 339.A ND2 MET 324.A O no hydrogen 2.463 N/A