Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8c1r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N LYS 46.A O no hydrogen 3.206 N/A VAL 4.A N LYS 48.A O no hydrogen 2.898 N/A THR 5.A N ILE 81.A O no hydrogen 2.906 N/A THR 5.A OG1 GLU 73.A OE1 no hydrogen 3.306 N/A THR 6.A N THR 50.A O no hydrogen 2.960 N/A THR 6.A OG1 THR 50.A O no hydrogen 3.145 N/A GLU 9.A N VAL 13.A O no hydrogen 3.022 N/A VAL 13.A N GLU 9.A O no hydrogen 2.658 N/A MET 14.A N GLU 29.A O no hydrogen 2.426 N/A LYS 16.A N ARG 27.A O no hydrogen 2.579 N/A LYS 16.A NZ GLU 29.A OE1 no hydrogen 2.835 N/A MET 21.A N ASN 18.A O no hydrogen 2.914 N/A LEU 22.A N HIS 19.A O no hydrogen 3.030 N/A ASN 25.A ND2 TYR 47.A O no hydrogen 3.515 N/A ARG 27.A N GLY 24.A O no hydrogen 3.316 N/A ARG 27.A NE GLY 24.A O no hydrogen 2.432 N/A ARG 27.A NH2 GLY 24.A O no hydrogen 3.183 N/A TYR 28.A N ASN 25.A O no hydrogen 3.043 N/A GLU 29.A N MET 14.A O no hydrogen 2.423 N/A TYR 31.A N PRO 11.A O no hydrogen 2.528 N/A CYS 32.A N TYR 12.A O no hydrogen 2.675 N/A CYS 32.A SG ILE 83.A O no hydrogen 3.171 N/A LEU 35.A N TYR 31.A O no hydrogen 2.994 N/A ALA 36.A N CYS 32.A O no hydrogen 2.833 N/A ALA 37.A N VAL 33.A O no hydrogen 2.900 N/A GLU 38.A N ASP 34.A O no hydrogen 2.961 N/A ILE 39.A N LEU 35.A O no hydrogen 2.910 N/A ALA 40.A N ALA 36.A O no hydrogen 2.902 N/A LYS 41.A N ALA 37.A O no hydrogen 2.911 N/A HIS 42.A N GLU 38.A O no hydrogen 2.956 N/A CYS 43.A N ILE 39.A O no hydrogen 2.910 N/A CYS 43.A SG ILE 39.A O no hydrogen 3.700 N/A CYS 43.A SG HIS 42.A ND1 no hydrogen 3.025 N/A GLY 44.A N ALA 40.A O no hydrogen 2.361 N/A LYS 48.A N VAL 2.A O no hydrogen 2.914 N/A LEU 49.A N ASN 25.A OD1 no hydrogen 3.161 N/A THR 50.A N VAL 4.A O no hydrogen 2.885 N/A THR 50.A OG1 VAL 4.A O no hydrogen 3.396 N/A VAL 52.A N THR 6.A O no hydrogen 3.082 N/A GLY 53.A N GLU 73.A OE2 no hydrogen 3.100 N/A LYS 56.A N ASP 54.A OD1 no hydrogen 3.264 N/A ASP 61.A N ILE 66.A O no hydrogen 3.027 N/A THR 64.A N ASP 63.A OD1 no hydrogen 2.530 N/A THR 64.A OG1 ASP 61.A OD2 no hydrogen 3.259 N/A LYS 65.A N ASP 61.A O no hydrogen 2.425 N/A TRP 67.A N TYR 76.A OH no hydrogen 3.290 N/A ASN 68.A N ALA 59.A O no hydrogen 2.955 N/A MET 70.A N LYS 56.A O no hydrogen 3.092 N/A MET 70.A N TYR 57.A O no hydrogen 3.111 N/A VAL 71.A N TYR 57.A O no hydrogen 3.326 N/A GLY 72.A N ASN 68.A O no hydrogen 2.948 N/A GLU 73.A N GLY 69.A O no hydrogen 2.957 N/A LEU 74.A N MET 70.A O no hydrogen 2.913 N/A LEU 74.A N VAL 71.A O no hydrogen 3.269 N/A VAL 75.A N VAL 71.A O no hydrogen 2.904 N/A TYR 76.A N GLY 72.A O no hydrogen 2.901 N/A GLY 77.A N LEU 74.A O no hydrogen 3.287 N/A ALA 79.A N GLU 73.A O no hydrogen 2.689 N/A ASP 80.A N VAL 3.A O no hydrogen 3.300 N/A ALA 82.A N ALA 325.A O no hydrogen 3.282 N/A ILE 83.A N THR 5.A O no hydrogen 3.187 N/A ILE 88.A N GLY 321.A O no hydrogen 3.037 N/A ARG 92.A N THR 89.A OG1 no hydrogen 3.425 N/A ARG 92.A NH1 THR 87.A O no hydrogen 3.504 N/A GLU 93.A N THR 89.A O no hydrogen 2.726 N/A GLU 94.A N LEU 90.A O no hydrogen 3.103 N/A VAL 95.A N ARG 92.A O no hydrogen 3.329 N/A ILE 96.A N ARG 92.A O no hydrogen 3.359 N/A ASP 97.A N THR 326.A O no hydrogen 2.930 N/A SER 99.A N ILE 324.A O no hydrogen 3.287 N/A SER 99.A OG LYS 100.A O no hydrogen 3.024 N/A LYS 100.A N ASN 337.A OD1 no hydrogen 2.720 N/A PHE 102.A N TYR 322.A O no hydrogen 2.916 N/A LEU 105.A N LYS 320.A O no hydrogen 2.917 N/A ILE 107.A N ASP 318.A OD2 no hydrogen 2.856 N/A SER 108.A N LEU 294.A O no hydrogen 2.832 N/A SER 108.A OG LEU 294.A O no hydrogen 3.368 N/A ILE 111.A N MET 311.A O no hydrogen 3.113 N/A LYS 112.A NZ ARG 284.A O no hydrogen 2.861 N/A LYS 112.A NZ ASP 309.A OD2 no hydrogen 2.866 N/A LYS 113.A N ASP 309.A O no hydrogen 3.417 N/A SER 123.A OG ASP 126.A OD2 no hydrogen 2.874 N/A ASP 126.A N SER 123.A O no hydrogen 3.189 N/A TRP 133.A N ALA 129.A O no hydrogen 3.427 N/A TRP 133.A NE1 LEU 125.A O no hydrogen 3.070 N/A MET 134.A N TYR 130.A O no hydrogen 3.023 N/A CYS 135.A N GLU 131.A O no hydrogen 2.900 N/A CYS 135.A SG GLU 131.A O no hydrogen 3.350 N/A ILE 136.A N ILE 132.A O no hydrogen 2.848 N/A VAL 137.A N TRP 133.A O no hydrogen 3.028 N/A PHE 138.A N MET 134.A O no hydrogen 3.021 N/A ALA 139.A N CYS 135.A O no hydrogen 2.852 N/A TYR 140.A N ILE 136.A O no hydrogen 2.910 N/A TYR 140.A OH LEU 167.A O no hydrogen 2.894 N/A ILE 141.A N VAL 137.A O no hydrogen 3.048 N/A GLY 142.A N PHE 138.A O no hydrogen 2.922 N/A VAL 143.A N ALA 139.A O no hydrogen 2.866 N/A SER 144.A N TYR 140.A O no hydrogen 2.974 N/A SER 144.A OG TYR 140.A O no hydrogen 2.765 N/A SER 144.A OG SER 170.A OG no hydrogen 3.285 N/A VAL 145.A N ILE 141.A O no hydrogen 2.973 N/A VAL 146.A N GLY 142.A O no hydrogen 2.940 N/A LEU 147.A N VAL 143.A O no hydrogen 2.893 N/A PHE 148.A N SER 144.A O no hydrogen 2.986 N/A LEU 149.A N VAL 145.A O no hydrogen 2.907 N/A VAL 150.A N VAL 146.A O no hydrogen 2.944 N/A SER 151.A N LEU 147.A O no hydrogen 3.192 N/A SER 151.A OG LEU 147.A O no hydrogen 3.198 N/A ARG 152.A N LEU 149.A O no hydrogen 3.114 N/A PHE 153.A N LEU 149.A O no hydrogen 3.094 N/A GLU 157.A N SER 154.A O no hydrogen 3.213 N/A TRP 158.A N PRO 155.A O no hydrogen 3.369 N/A GLY 162.A N GLU 160.A O no hydrogen 2.961 N/A ASN 165.A ND2 GLU 160.A O no hydrogen 3.005 N/A SER 166.A N GLY 162.A O no hydrogen 2.779 N/A LEU 167.A N ILE 163.A O no hydrogen 2.958 N/A TRP 168.A N PHE 164.A O.A no hydrogen 3.003 N/A TRP 168.A N PHE 164.A O.B no hydrogen 3.270 N/A PHE 169.A N ASN 165.A O no hydrogen 2.893 N/A SER 170.A N SER 166.A O no hydrogen 2.990 N/A SER 170.A OG SER 144.A OG no hydrogen 3.285 N/A SER 170.A OG SER 166.A O no hydrogen 3.350 N/A LEU 171.A N LEU 167.A O no hydrogen 2.989 N/A GLY 172.A N TRP 168.A O no hydrogen 2.946 N/A ALA 173.A N PHE 169.A O no hydrogen 2.906 N/A PHE 174.A N SER 170.A O no hydrogen 3.002 N/A MET 175.A N LEU 171.A O no hydrogen 3.187 N/A ARG 176.A N ALA 173.A O no hydrogen 3.295 N/A GLN 177.A N GLY 172.A O no hydrogen 2.985 N/A ASP 180.A N ASP 180.A OD1 no hydrogen 2.393 N/A SER 182.A OG PRO 183.A O no hydrogen 3.550 N/A ARG 189.A N SER 185.A O no hydrogen 2.898 N/A ARG 189.A NE PRO 183.A O no hydrogen 3.157 N/A ILE 190.A N LEU 186.A O no hydrogen 2.931 N/A VAL 191.A N SER 187.A O no hydrogen 3.026 N/A GLY 192.A N GLY 188.A O no hydrogen 2.887 N/A GLY 193.A N ARG 189.A O no hydrogen 2.894 N/A VAL 194.A N ILE 190.A O no hydrogen 3.030 N/A TRP 195.A N VAL 191.A O no hydrogen 2.986 N/A TRP 195.A NE1 SER 170.A O no hydrogen 2.988 N/A TRP 196.A N GLY 192.A O no hydrogen 2.889 N/A PHE 197.A N GLY 193.A O no hydrogen 2.993 N/A PHE 198.A N VAL 194.A O no hydrogen 3.004 N/A THR 199.A N TRP 195.A O no hydrogen 2.938 N/A THR 199.A OG1 TRP 195.A O no hydrogen 2.972 N/A LEU 200.A N TRP 196.A O no hydrogen 2.956 N/A ILE 201.A N PHE 197.A O no hydrogen 3.046 N/A ILE 202.A N PHE 198.A O no hydrogen 2.972 N/A ILE 203.A N THR 199.A O no hydrogen 2.944 N/A SER 204.A N LEU 200.A O no hydrogen 3.016 N/A SER 204.A OG LEU 200.A O no hydrogen 2.991 N/A SER 205.A N ILE 201.A O no hydrogen 2.958 N/A SER 205.A OG ILE 202.A O no hydrogen 2.939 N/A TYR 206.A N ILE 202.A O no hydrogen 2.976 N/A TYR 206.A OH PHE 124.A O no hydrogen 2.698 N/A THR 207.A N ILE 203.A O no hydrogen 3.057 N/A THR 207.A OG1 ILE 203.A O no hydrogen 3.207 N/A ALA 208.A N SER 204.A O no hydrogen 2.918 N/A ASN 209.A N SER 205.A O no hydrogen 2.946 N/A ASN 209.A ND2 PRO 127.A O no hydrogen 2.540 N/A LEU 210.A N TYR 206.A O no hydrogen 2.987 N/A ALA 211.A N THR 207.A O no hydrogen 2.961 N/A ALA 212.A N ALA 208.A O no hydrogen 2.974 N/A PHE 213.A N.A ASN 209.A O no hydrogen 2.920 N/A PHE 213.A N.B ASN 209.A O no hydrogen 2.922 N/A LEU 214.A N LEU 210.A O no hydrogen 3.025 N/A THR 215.A N ALA 211.A O no hydrogen 2.890 N/A THR 215.A OG1 ALA 211.A O no hydrogen 2.892 N/A VAL 216.A N ALA 212.A O no hydrogen 2.976 N/A GLU 217.A N PHE 213.A O.A no hydrogen 2.958 N/A GLU 217.A N PHE 213.A O.B no hydrogen 3.137 N/A ARG 218.A N THR 215.A O no hydrogen 3.208 N/A MET 219.A N VAL 216.A O no hydrogen 3.259 N/A GLU 224.A N ASP 228.A OD2 no hydrogen 3.236 N/A SER 230.A N ALA 226.A O no hydrogen 2.929 N/A SER 230.A OG ALA 226.A O no hydrogen 3.549 N/A SER 230.A OG GLU 227.A O no hydrogen 2.333 N/A LYS 231.A N GLU 227.A O no hydrogen 2.955 N/A GLN 232.A N ASP 228.A O no hydrogen 3.151 N/A THR 233.A OG1 THR 233.A O no hydrogen 2.646 N/A GLU 234.A N GLN 232.A OE1 no hydrogen 2.945 N/A ALA 236.A N LYS 289.A O no hydrogen 2.950 N/A GLY 238.A N ALA 291.A O no hydrogen 3.172 N/A THR 239.A OG1 LEU 240.A O no hydrogen 3.150 N/A SER 242.A OG ASP 241.A OD1 no hydrogen 2.682 N/A LYS 246.A NZ ASP 241.A O no hydrogen 2.452 N/A GLU 247.A N GLY 243.A O no hydrogen 3.175 N/A PHE 248.A N SER 244.A O no hydrogen 2.849 N/A PHE 249.A N THR 245.A O no hydrogen 3.032 N/A ARG 250.A N LYS 246.A O no hydrogen 2.863 N/A ARG 250.A NE GLU 247.A OE1 no hydrogen 3.205 N/A ARG 250.A NH2 GLU 247.A OE1 no hydrogen 3.502 N/A ARG 251.A N GLU 247.A O no hydrogen 3.103 N/A SER 252.A N PHE 249.A O no hydrogen 2.912 N/A ASP 258.A N ILE 254.A O no hydrogen 3.090 N/A LYS 259.A N ALA 255.A O no hydrogen 2.888 N/A MET 260.A N VAL 256.A O no hydrogen 2.968 N/A TRP 261.A N PHE 257.A O no hydrogen 2.914 N/A THR 262.A N ASP 258.A O no hydrogen 2.886 N/A THR 262.A OG1 ASP 258.A O no hydrogen 2.819 N/A TYR 263.A N LYS 259.A O no hydrogen 2.942 N/A MET 264.A N MET 260.A O no hydrogen 2.913 N/A ARG 265.A N TRP 261.A O no hydrogen 2.906 N/A SER 266.A N THR 262.A O no hydrogen 2.929 N/A SER 266.A OG THR 262.A O no hydrogen 2.866 N/A GLY 279.A N THR 275.A O no hydrogen 3.069 N/A VAL 280.A N THR 276.A O no hydrogen 2.923 N/A ALA 281.A N ALA 277.A O no hydrogen 2.921 N/A ARG 282.A N GLU 278.A O no hydrogen 2.823 N/A ARG 282.A NH1 SER 270.A O no hydrogen 2.427 N/A ARG 282.A NH2 SER 270.A O no hydrogen 2.999 N/A VAL 283.A N GLY 279.A O no hydrogen 2.933 N/A ARG 284.A N VAL 280.A O no hydrogen 2.978 N/A ARG 284.A NE ASP 309.A OD1 no hydrogen 2.694 N/A LYS 285.A N ALA 281.A O no hydrogen 2.877 N/A SER 286.A N ARG 282.A O no hydrogen 2.883 N/A SER 286.A OG ARG 282.A O no hydrogen 3.565 N/A TYR 290.A OH VAL 271.A O no hydrogen 2.335 N/A ALA 291.A N ALA 236.A O no hydrogen 2.672 N/A TYR 292.A N MET 110.A O no hydrogen 2.907 N/A LEU 293.A N GLY 238.A O no hydrogen 3.400 N/A LEU 294.A N SER 108.A O no hydrogen 2.988 N/A SER 296.A N GLY 106.A O no hydrogen 2.690 N/A SER 296.A OG ASN 316.A OD1 no hydrogen 3.389 N/A ASN 299.A N GLU 295.A O no hydrogen 2.895 N/A ASN 299.A ND2 SER 108.A OG no hydrogen 3.098 N/A ASN 299.A ND2 ILE 109.A O no hydrogen 2.839 N/A GLU 300.A N SER 296.A O no hydrogen 2.922 N/A TYR 301.A N THR 297.A O no hydrogen 2.970 N/A ILE 302.A N MET 298.A O no hydrogen 2.890 N/A GLU 303.A N ASN 299.A O no hydrogen 2.939 N/A GLN 304.A N GLU 300.A O no hydrogen 2.996 N/A GLN 304.A N TYR 301.A O no hydrogen 2.963 N/A GLN 304.A NE2 CYS 363.A O no hydrogen 3.564 N/A ARG 305.A N ILE 302.A O no hydrogen 3.174 N/A ARG 305.A NE TYR 301.A OH no hydrogen 3.095 N/A ARG 305.A NH1 GLN 304.A O no hydrogen 3.144 N/A CYS 308.A N ARG 305.A O no hydrogen 2.912 N/A MET 311.A N ILE 111.A O no hydrogen 2.852 N/A LEU 317.A N ILE 107.A O no hydrogen 2.637 N/A LYS 320.A N LEU 105.A O no hydrogen 2.920 N/A LYS 320.A NZ ASP 318.A OD1 no hydrogen 2.419 N/A TYR 322.A N MET 103.A O no hydrogen 2.939 N/A TYR 322.A OH GLU 295.A OE2 no hydrogen 2.443 N/A GLY 323.A N LEU 86.A O no hydrogen 3.029 N/A ILE 324.A N SER 99.A OG no hydrogen 3.137 N/A THR 326.A N ASP 97.A O no hydrogen 2.935 N/A LYS 328.A NZ ASP 97.A OD2 no hydrogen 2.556 N/A LYS 328.A NZ LYS 328.A O no hydrogen 3.547 N/A SER 330.A N PRO 327.A O no hydrogen 3.188 N/A LEU 332.A N SER 330.A OG no hydrogen 3.425 N/A VAL 336.A N LEU 332.A O no hydrogen 2.904 N/A ASN 337.A N GLY 333.A O no hydrogen 2.899 N/A LEU 338.A N THR 334.A O no hydrogen 3.017 N/A ALA 339.A N PRO 335.A O no hydrogen 2.878 N/A VAL 340.A N VAL 336.A O no hydrogen 2.888 N/A LEU 341.A N ASN 337.A O no hydrogen 3.062 N/A LYS 342.A N LEU 338.A O no hydrogen 2.891 N/A LEU 343.A N ALA 339.A O no hydrogen 2.871 N/A SER 344.A N VAL 340.A O no hydrogen 2.910 N/A GLU 345.A N LEU 341.A O no hydrogen 2.974 N/A GLN 346.A N LYS 342.A O no hydrogen 2.750 N/A GLY 347.A N LEU 343.A O no hydrogen 3.159 N/A GLY 347.A N SER 344.A O no hydrogen 3.404 N/A VAL 348.A N LEU 343.A O no hydrogen 3.136 N/A LEU 349.A N LEU 343.A O no hydrogen 3.510 N/A LYS 351.A N GLY 347.A O no hydrogen 2.936 N/A LEU 352.A N VAL 348.A O no hydrogen 2.907 N/A LYS 353.A N LEU 349.A O no hydrogen 3.398 N/A ASN 354.A N ASP 350.A O no hydrogen 3.398 N/A LYS 355.A N LYS 351.A O no hydrogen 2.922 N/A TRP 356.A N LEU 352.A O no hydrogen 2.992 N/A TRP 356.A NE1 ASP 34.A OD1 no hydrogen 2.611 N/A TRP 357.A N LYS 353.A O no hydrogen 2.953 N/A TYR 358.A N ASN 354.A O no hydrogen 2.976 N/A TYR 358.A OH GLU 300.A OE2 no hydrogen 2.766 N/A ASP 359.A N ASN 354.A O no hydrogen 2.852 N/A LYS 360.A N LYS 355.A O no hydrogen 3.045 N/A GLY 361.A N TYR 358.A O no hydrogen 2.646 N/A GLU 362.A N GLN 304.A O no hydrogen 3.273 N/A SER 370.A N ASN 373.A OD1 no hydrogen 3.420 N/A SER 370.A OG ASN 373.A OD1 no hydrogen 3.307 N/A ASN 373.A N SER 370.A O no hydrogen 2.929 N/A VAL 374.A N LEU 371.A O no hydrogen 3.248 N/A VAL 377.A N VAL 374.A O no hydrogen 2.911 N/A TYR 379.A N ALA 375.A O no hydrogen 2.952 N/A ILE 380.A N GLY 376.A O no hydrogen 2.937 N/A LEU 381.A N VAL 377.A O no hydrogen 2.934 N/A VAL 382.A N PHE 378.A O no hydrogen 2.988 N/A GLY 383.A N TYR 379.A O no hydrogen 2.901 N/A GLY 384.A N ILE 380.A O no hydrogen 2.874 N/A LEU 385.A N LEU 381.A O no hydrogen 2.939 N/A GLY 386.A N VAL 382.A O no hydrogen 2.937 N/A LEU 387.A N GLY 383.A O no hydrogen 2.899 N/A ALA 388.A N GLY 384.A O no hydrogen 2.898 N/A MET 389.A N LEU 385.A O no hydrogen 2.992 N/A LEU 390.A N GLY 386.A O no hydrogen 2.934 N/A VAL 391.A N LEU 387.A O no hydrogen 2.919 N/A ALA 392.A N ALA 388.A O no hydrogen 2.965 N/A LEU 393.A N MET 389.A O no hydrogen 2.962 N/A ILE 394.A N LEU 390.A O no hydrogen 2.901 N/A GLU 395.A N VAL 391.A O no hydrogen 2.992 N/A PHE 396.A N ALA 392.A O no hydrogen 2.931 N/A CYS 397.A N LEU 393.A O no hydrogen 2.869 N/A CYS 397.A SG LEU 393.A O no hydrogen 3.561 N/A TYR 398.A N ILE 394.A O no hydrogen 2.925 N/A LYS 399.A N GLU 395.A O no hydrogen 2.937 N/A LYS 399.A NZ GLU 395.A OE1 no hydrogen 3.096 N/A SER 400.A N PHE 396.A O no hydrogen 2.889 N/A ARG 401.A N CYS 397.A O no hydrogen 2.995 N/A ALA 402.A N LYS 399.A O no hydrogen 2.956 N/A GLU 403.A N SER 400.A O no hydrogen 3.036 N/A