Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7w39_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N ASP 1.A O no hydrogen 2.935 N/A TYR 6.A N LEU 2.A O no hydrogen 2.939 N/A LYS 7.A N TYR 3.A O no hydrogen 2.913 N/A LYS 8.A N SER 4.A O no hydrogen 2.915 N/A LEU 9.A N ARG 5.A O no hydrogen 2.999 N/A GLN 10.A N TYR 6.A O no hydrogen 2.904 N/A GLN 11.A N LYS 7.A O no hydrogen 2.945 N/A GLU 12.A N LYS 8.A O no hydrogen 2.915 N/A LEU 13.A N LEU 9.A O no hydrogen 2.959 N/A GLU 14.A N GLN 10.A O no hydrogen 2.956 N/A PHE 15.A N GLN 11.A O no hydrogen 2.911 N/A PHE 15.A N GLU 12.A O no hydrogen 3.234 N/A LEU 16.A N GLU 12.A O no hydrogen 2.960 N/A GLU 17.A N LEU 13.A O no hydrogen 2.962 N/A GLN 19.A N PHE 15.A O no hydrogen 3.068 N/A GLU 20.A N LEU 16.A O no hydrogen 2.947 N/A GLU 21.A N VAL 18.A O no hydrogen 3.241 N/A TYR 22.A N VAL 18.A O no hydrogen 2.981 N/A ILE 23.A N GLN 19.A O no hydrogen 3.065 N/A ASP 25.A N GLU 21.A O no hydrogen 2.995 N/A GLU 26.A N TYR 22.A O no hydrogen 3.001 N/A GLN 27.A N ILE 23.A O no hydrogen 2.995 N/A ASN 29.A N ASP 25.A O no hydrogen 3.061 N/A LEU 30.A N GLU 26.A O no hydrogen 2.874 N/A LYS 31.A N GLN 27.A O no hydrogen 2.988 N/A LYS 31.A NZ GLN 27.A OE1 no hydrogen 3.408 N/A LYS 32.A N LYS 28.A O no hydrogen 3.006 N/A GLU 33.A N ASN 29.A O no hydrogen 2.956 N/A PHE 34.A N LEU 30.A O no hydrogen 2.863 N/A LEU 35.A N LYS 31.A O no hydrogen 3.021 N/A HIS 36.A N LYS 32.A O no hydrogen 2.996 N/A ALA 37.A N GLU 33.A O no hydrogen 2.940 N/A GLN 38.A N PHE 34.A O no hydrogen 2.837 N/A GLU 39.A N LEU 35.A O no hydrogen 2.973 N/A GLU 40.A N HIS 36.A O no hydrogen 2.922 N/A VAL 41.A N ALA 37.A O no hydrogen 2.951 N/A GLN 45.A N LYS 42.A O no hydrogen 3.287 N/A GLY 52.A N VAL 92.A O no hydrogen 2.818 N/A PHE 54.A N ALA 90.A O no hydrogen 2.916 N/A LEU 55.A N ILE 64.A O no hydrogen 3.071 N/A THR 62.A OG1 GLN 60.A O no hydrogen 3.335 N/A THR 62.A OG1 ASN 61.A OD1 no hydrogen 3.384 N/A ALA 63.A N VAL 75.A O no hydrogen 3.145 N/A ILE 64.A N GLU 56.A O no hydrogen 2.818 N/A VAL 65.A N TYR 73.A O no hydrogen 3.116 N/A GLY 66.A N GLN 53.A O no hydrogen 2.728 N/A SER 67.A N SER 71.A O no hydrogen 3.305 N/A SER 67.A OG THR 69.A OG1 no hydrogen 3.159 N/A THR 68.A OG1 ILE 51.A O no hydrogen 3.092 N/A THR 69.A N SER 67.A OG no hydrogen 2.932 N/A THR 69.A OG1 SER 67.A OG no hydrogen 3.159 N/A GLY 70.A N SER 67.A O no hydrogen 3.466 N/A SER 71.A OG TYR 73.A OH no hydrogen 2.854 N/A TYR 73.A N VAL 65.A O no hydrogen 2.907 N/A TYR 73.A OH SER 71.A OG no hydrogen 2.854 N/A VAL 75.A N ALA 63.A O no hydrogen 3.032 N/A ARG 83.A NH1 LEU 78.A O no hydrogen 3.311 N/A ARG 83.A NH1 SER 79.A O no hydrogen 2.465 N/A ARG 83.A NH1 ILE 81.A O no hydrogen 2.727 N/A ARG 83.A NH2 LEU 78.A O no hydrogen 3.523 N/A LEU 85.A N ASP 82.A O no hydrogen 3.492 N/A LEU 86.A N ARG 83.A O no hydrogen 3.471 N/A LYS 87.A N LEU 85.A O no hydrogen 2.937 N/A LYS 87.A NZ GLU 84.A O no hydrogen 3.222 N/A VAL 92.A N GLY 52.A O no hydrogen 3.457 N/A ALA 93.A N ASP 103.A O no hydrogen 2.856 N/A LEU 94.A N VAL 50.A O no hydrogen 2.835 N/A HIS 95.A N ALA 100.A O no hydrogen 2.670 N/A HIS 97.A N HIS 95.A ND1 no hydrogen 3.060 N/A SER 98.A N HIS 95.A ND1 no hydrogen 3.027 N/A VAL 102.A N ALA 93.A O no hydrogen 3.174 N/A ASP 103.A N ALA 93.A O no hydrogen 3.472 N/A LEU 105.A N SER 91.A O no hydrogen 3.063 N/A SER 111.A OG ASP 211.A OD2 no hydrogen 2.971 N/A THR 117.A OG1 MET 115.A O no hydrogen 2.694 N/A SER 118.A OG LEU 116.A O no hydrogen 3.389 N/A ASP 119.A N ASP 119.A OD1 no hydrogen 2.465 N/A GLN 120.A NE2 ASP 119.A OD1 no hydrogen 3.292 N/A LYS 121.A NZ ALA 182.A O no hydrogen 3.140 N/A MET 125.A N ASP 128.A OD2 no hydrogen 2.718 N/A TYR 126.A N HIS 184.A NE2 no hydrogen 3.437 N/A ILE 129.A N MET 125.A O no hydrogen 2.948 N/A LYS 136.A N MET 132.A O no hydrogen 2.899 N/A LYS 136.A NZ TYR 126.A O no hydrogen 2.711 N/A LYS 136.A NZ ILE 129.A O no hydrogen 3.506 N/A GLN 137.A N ASP 133.A O no hydrogen 2.885 N/A GLN 137.A NE2 GLU 141.A OE2 no hydrogen 2.508 N/A GLU 138.A N ILE 134.A O no hydrogen 2.939 N/A VAL 139.A N GLN 135.A O no hydrogen 2.905 N/A ARG 140.A N LYS 136.A O no hydrogen 2.934 N/A GLU 141.A N GLN 137.A O no hydrogen 2.925 N/A ALA 142.A N GLU 138.A O no hydrogen 2.901 N/A VAL 143.A N VAL 139.A O no hydrogen 2.917 N/A VAL 143.A N ARG 140.A O no hydrogen 3.353 N/A GLU 144.A N ARG 140.A O no hydrogen 2.953 N/A LEU 145.A N ARG 140.A O no hydrogen 3.141 N/A THR 148.A OG1 LEU 145.A O no hydrogen 3.083 N/A HIS 149.A N LEU 145.A O no hydrogen 2.919 N/A TYR 153.A N HIS 149.A O no hydrogen 2.957 N/A LYS 154.A N PHE 150.A O no hydrogen 2.924 N/A GLN 155.A N GLU 151.A O no hydrogen 2.865 N/A ILE 156.A N LEU 152.A O no hydrogen 2.948 N/A GLY 157.A N TYR 153.A O no hydrogen 2.893 N/A VAL 164.A N VAL 269.A O no hydrogen 3.183 N/A LEU 165.A N ARG 291.A O no hydrogen 2.868 N/A MET 166.A N MET 271.A O no hydrogen 3.044 N/A TYR 167.A N ILE 293.A O no hydrogen 2.878 N/A TYR 167.A OH GLU 294.A OE1 no hydrogen 3.067 N/A CYS 172.A SG PRO 169.A O no hydrogen 3.366 N/A CYS 172.A SG PHE 295.A O no hydrogen 3.416 N/A LEU 177.A N GLY 173.A O no hydrogen 2.887 N/A ALA 178.A N LYS 174.A O no hydrogen 2.941 N/A LYS 179.A N THR 175.A O no hydrogen 2.892 N/A ALA 180.A N MET 176.A O no hydrogen 2.907 N/A VAL 181.A N LEU 177.A O no hydrogen 2.911 N/A ALA 182.A N ALA 178.A O no hydrogen 2.904 N/A HIS 183.A N LYS 179.A O no hydrogen 2.909 N/A HIS 184.A N ALA 180.A O no hydrogen 2.915 N/A ALA 187.A N THR 185.A OG1 no hydrogen 3.315 N/A ILE 190.A N ILE 223.A O no hydrogen 2.862 N/A VAL 192.A N PHE 225.A O no hydrogen 3.147 N/A GLY 194.A N ASP 227.A O no hydrogen 3.041 N/A GLU 196.A N VAL 193.A O no hydrogen 3.172 N/A ARG 207.A N GLY 203.A O no hydrogen 2.962 N/A ARG 207.A NH2 GLU 204.A OE2 no hydrogen 2.732 N/A MET 208.A N GLU 204.A O no hydrogen 2.895 N/A VAL 209.A N GLY 205.A O no hydrogen 2.897 N/A ARG 210.A N PRO 206.A O no hydrogen 2.932 N/A ARG 210.A NE PRO 206.A O no hydrogen 3.307 N/A ASP 211.A N ARG 207.A O no hydrogen 2.964 N/A ARG 214.A N ARG 210.A O no hydrogen 2.970 N/A ARG 214.A NH2 ASP 110.A OD2 no hydrogen 3.248 N/A LEU 215.A N ASP 211.A O no hydrogen 2.860 N/A ALA 216.A N VAL 212.A O no hydrogen 2.920 N/A LYS 217.A N PHE 213.A O no hydrogen 2.877 N/A GLU 218.A N ARG 214.A O no hydrogen 2.947 N/A ASN 219.A N LEU 215.A O no hydrogen 2.898 N/A ILE 224.A N LYS 268.A O no hydrogen 2.795 N/A PHE 225.A N ILE 190.A O no hydrogen 3.038 N/A ILE 226.A N ILE 270.A O no hydrogen 3.062 N/A GLU 228.A N ASP 227.A OD1 no hydrogen 2.907 N/A GLU 228.A N ALA 272.A O no hydrogen 3.052 N/A ALA 231.A N GLU 228.A O no hydrogen 3.355 N/A ILE 232.A N ILE 229.A O no hydrogen 2.757 N/A ALA 233.A N ILE 229.A O no hydrogen 2.885 N/A THR 234.A OG1 ARG 236.A O no hydrogen 3.466 N/A GLN 240.A N ASP 238.A O no hydrogen 2.786 N/A ALA 243.A N THR 241.A O no hydrogen 2.907 N/A ASP 244.A N THR 241.A OG1 no hydrogen 3.262 N/A GLU 246.A N GLY 242.A O no hydrogen 2.902 N/A VAL 247.A N ALA 243.A O no hydrogen 2.922 N/A GLN 248.A N ASP 244.A O no hydrogen 2.923 N/A ARG 249.A N ARG 245.A O no hydrogen 2.918 N/A ARG 249.A NE ARG 245.A O no hydrogen 3.599 N/A ILE 250.A N GLU 246.A O no hydrogen 2.907 N/A LEU 251.A N VAL 247.A O no hydrogen 2.971 N/A LEU 252.A N GLN 248.A O no hydrogen 2.936 N/A GLU 253.A N ARG 249.A O no hydrogen 2.913 N/A LEU 254.A N ILE 250.A O no hydrogen 2.992 N/A LEU 255.A N LEU 251.A O no hydrogen 2.907 N/A ASN 256.A N LEU 252.A O no hydrogen 2.921 N/A GLN 257.A N GLU 253.A O no hydrogen 2.933 N/A MET 258.A N LEU 254.A O no hydrogen 2.903 N/A ASP 259.A N LEU 255.A O no hydrogen 2.912 N/A GLY 260.A N ASN 256.A O no hydrogen 2.944 N/A PHE 261.A N ASP 259.A O no hydrogen 2.776 N/A ASP 262.A N ASP 262.A OD1 no hydrogen 2.497 N/A ASN 264.A ND2 ASP 262.A OD2 no hydrogen 2.942 N/A LYS 268.A N ALA 222.A O no hydrogen 3.485 N/A ILE 270.A N ILE 224.A O no hydrogen 2.802 N/A MET 271.A N VAL 164.A O no hydrogen 3.258 N/A ALA 272.A N ILE 226.A O no hydrogen 3.318 N/A THR 273.A N MET 166.A O no hydrogen 3.346 N/A THR 273.A OG1 ASP 230.A OD1 no hydrogen 3.117 N/A THR 273.A OG1 ASP 230.A OD2 no hydrogen 2.915 N/A ARG 275.A N THR 273.A OG1 no hydrogen 3.396 N/A THR 278.A N ASP 277.A OD1 no hydrogen 2.804 N/A THR 278.A OG1 ARG 275.A O no hydrogen 3.548 N/A ARG 288.A N ARG 285.A O no hydrogen 3.195 N/A ARG 288.A NE ASP 259.A OD1 no hydrogen 2.853 N/A ARG 288.A NE ASP 259.A OD2 no hydrogen 2.872 N/A ARG 288.A NH2 ASP 259.A OD2 no hydrogen 2.960 N/A LEU 289.A N ARG 285.A O no hydrogen 3.395 N/A ASP 290.A N ASP 290.A OD1 no hydrogen 2.482 N/A LYS 292.A NZ LEU 284.A O no hydrogen 2.874 N/A LYS 292.A NZ LEU 289.A O no hydrogen 2.695 N/A ILE 293.A N LEU 165.A O no hydrogen 2.822 N/A PHE 295.A N TYR 167.A O no hydrogen 2.736 N/A ASP 299.A N GLN 302.A OE1 no hydrogen 3.406 N/A ARG 300.A N ASP 299.A OD1 no hydrogen 2.529 N/A ARG 300.A NH2 GLU 323.A OE2 no hydrogen 2.426 N/A GLN 302.A NE2 ASP 299.A OD1 no hydrogen 3.505 N/A LYS 303.A NZ ILE 332.A O no hydrogen 2.697 N/A ARG 304.A N ARG 300.A O no hydrogen 2.965 N/A ILE 306.A N GLN 302.A O no hydrogen 2.927 N/A PHE 307.A N LYS 303.A O no hydrogen 2.945 N/A SER 308.A N ARG 304.A O no hydrogen 2.925 N/A SER 308.A OG ARG 304.A O no hydrogen 3.311 N/A SER 308.A OG LEU 305.A O no hydrogen 2.628 N/A THR 309.A N LEU 305.A O no hydrogen 2.920 N/A THR 309.A OG1 LEU 305.A O no hydrogen 2.736 N/A THR 309.A OG1 ILE 306.A O no hydrogen 2.856 N/A ILE 310.A N ILE 306.A O no hydrogen 2.946 N/A THR 311.A N PHE 307.A O no hydrogen 2.881 N/A THR 311.A OG1 PHE 307.A O no hydrogen 2.285 N/A THR 311.A OG1 SER 308.A O no hydrogen 3.410 N/A SER 312.A OG THR 309.A O no hydrogen 2.707 N/A LYS 313.A N ILE 310.A O no hydrogen 3.478 N/A MET 314.A N THR 311.A O no hydrogen 3.114 N/A GLU 323.A N ASP 321.A OD1 no hydrogen 3.306 N/A TYR 325.A N LEU 322.A O no hydrogen 3.153 N/A TYR 325.A OH GLU 362.A OE1 no hydrogen 2.970 N/A VAL 326.A N LEU 322.A O no hydrogen 2.922 N/A ALA 327.A N GLU 323.A O no hydrogen 2.916 N/A ARG 328.A N TYR 325.A O no hydrogen 3.281 N/A ARG 328.A NH1 GLU 362.A OE2 no hydrogen 3.253 N/A ARG 328.A NH2 GLU 362.A OE1 no hydrogen 3.052 N/A ARG 328.A NH2 GLU 362.A OE2 no hydrogen 3.076 N/A SER 333.A N ASP 336.A OD2 no hydrogen 2.981 N/A SER 333.A OG ASP 336.A OD1 no hydrogen 2.682 N/A GLY 334.A N GLY 171.A O no hydrogen 3.250 N/A ALA 335.A N SER 333.A OG no hydrogen 3.161 N/A ASP 336.A N SER 333.A OG no hydrogen 3.416 N/A SER 339.A N ALA 335.A O no hydrogen 2.987 N/A SER 339.A OG ASP 336.A O no hydrogen 2.521 N/A ILE 340.A N ASP 336.A O no hydrogen 2.838 N/A CYS 341.A N ILE 337.A O no hydrogen 3.015 N/A CYS 341.A SG ILE 337.A O no hydrogen 3.437 N/A GLN 342.A N ASN 338.A O no hydrogen 2.893 N/A GLU 343.A N SER 339.A O no hydrogen 2.844 N/A SER 344.A N ILE 340.A O no hydrogen 2.945 N/A SER 344.A OG ILE 340.A O no hydrogen 3.248 N/A SER 344.A OG CYS 341.A O no hydrogen 2.519 N/A GLY 345.A N CYS 341.A O no hydrogen 2.962 N/A MET 346.A N GLN 342.A O no hydrogen 2.910 N/A LEU 347.A N GLU 343.A O no hydrogen 2.876 N/A ALA 348.A N SER 344.A O no hydrogen 2.968 N/A VAL 349.A N GLY 345.A O no hydrogen 2.921 N/A ARG 350.A N MET 346.A O no hydrogen 2.885 N/A GLU 351.A N LEU 347.A O no hydrogen 2.944 N/A ASN 352.A N VAL 349.A O no hydrogen 2.948 N/A ARG 353.A N ALA 348.A O no hydrogen 3.081 N/A LEU 357.A N ASP 360.A OD2 no hydrogen 3.074 N/A ALA 358.A N GLU 319.A OE2 no hydrogen 2.900 N/A PHE 361.A N LEU 357.A O no hydrogen 2.976 N/A GLU 362.A N ALA 358.A O no hydrogen 2.900 N/A LYS 363.A N LYS 359.A O no hydrogen 2.926 N/A ALA 364.A N ASP 360.A O no hydrogen 2.908 N/A TYR 365.A N PHE 361.A O no hydrogen 2.866 N/A LYS 366.A N GLU 362.A O no hydrogen 3.000 N/A THR 367.A N LYS 363.A O no hydrogen 2.911 N/A THR 367.A OG1 LYS 363.A O no hydrogen 2.389 N/A VAL 368.A N ALA 364.A O no hydrogen 2.905 N/A VAL 368.A N TYR 365.A O no hydrogen 3.203 N/A ILE 369.A N TYR 365.A O no hydrogen 3.011 N/A LYS 371.A NZ ASP 372.A O no hydrogen 2.493 N/A GLU 373.A N ASP 372.A OD1 no hydrogen 2.703 N/A GLU 375.A N GLU 373.A O no hydrogen 2.672 N/A GLU 377.A N GLU 377.A OE1 no hydrogen 2.705 N/A TYR 379.A N HIS 376.A O no hydrogen 3.153 N/A LYS 380.A N GLU 377.A O no hydrogen 3.182 N/A