Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mec_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N GLU 1.A OE2 no hydrogen 2.919 N/A VAL 5.A N ASP 114.A OD2 no hydrogen 3.177 N/A LYS 8.A N ARG 76.A O no hydrogen 3.107 N/A MET 11.A N LYS 8.A O no hydrogen 3.048 N/A GLY 13.A N ASP 12.A OD1 no hydrogen 2.890 N/A VAL 16.A N ASN 52.A O no hydrogen 2.821 N/A GLN 18.A NE2 TRP 19.A O no hydrogen 2.724 N/A GLN 18.A NE2 VAL 55.A O no hydrogen 3.026 N/A ILE 26.A N THR 22.A O no hydrogen 3.124 N/A LYS 27.A N GLU 23.A O no hydrogen 2.987 N/A ALA 28.A N GLU 24.A O no hydrogen 3.055 N/A LEU 29.A N LYS 25.A O no hydrogen 3.009 N/A VAL 30.A N ILE 26.A O no hydrogen 2.939 N/A GLU 31.A N LYS 27.A O no hydrogen 3.052 N/A ILE 32.A N ALA 28.A O no hydrogen 3.051 N/A CYS 33.A N LEU 29.A O no hydrogen 2.869 N/A THR 34.A N VAL 30.A O no hydrogen 2.773 N/A THR 34.A OG1 VAL 30.A O no hydrogen 2.930 N/A GLU 35.A N GLU 31.A O no hydrogen 3.213 N/A MET 36.A N ILE 32.A O no hydrogen 2.932 N/A GLU 37.A N CYS 33.A O no hydrogen 2.940 N/A LYS 38.A N THR 34.A O no hydrogen 3.163 N/A GLU 39.A N GLU 35.A O no hydrogen 3.127 N/A GLY 40.A N GLU 37.A O no hydrogen 2.745 N/A LYS 41.A N MET 36.A O no hydrogen 2.842 N/A LYS 41.A NZ GLU 39.A OE1 no hydrogen 2.679 N/A SER 43.A N GLN 138.A O no hydrogen 3.033 N/A SER 43.A OG ASN 140.A OD1 no hydrogen 3.223 N/A ILE 45.A N ARG 136.A O no hydrogen 3.055 N/A GLU 48.A N GLU 48.A OE2 no hydrogen 2.551 N/A ASN 49.A N GLY 46.A O no hydrogen 3.128 N/A ASN 49.A ND2 LYS 119.A O no hydrogen 2.947 N/A ASN 49.A ND2 GLN 138.A OE1 no hydrogen 3.122 N/A TYR 51.A N ASN 49.A OD1 no hydrogen 3.070 N/A TYR 51.A OH ASP 12.A OD1 no hydrogen 2.524 N/A ASN 52.A N PRO 14.A O no hydrogen 2.926 N/A ASN 52.A ND2 VAL 16.A O no hydrogen 2.741 N/A THR 53.A N ALA 122.A O no hydrogen 2.944 N/A VAL 55.A N GLN 18.A OE1 no hydrogen 2.852 N/A PHE 56.A N LEU 67.A O no hydrogen 2.808 N/A ILE 58.A N ARG 65.A O no hydrogen 2.862 N/A ARG 65.A N ILE 58.A O no hydrogen 2.802 N/A LYS 66.A NZ TYR 139.A OH no hydrogen 2.717 N/A LEU 67.A N PHE 56.A O no hydrogen 2.758 N/A ASP 69.A N PRO 54.A O no hydrogen 2.927 N/A ARG 71.A N ASP 69.A OD2 no hydrogen 3.177 N/A ARG 71.A NE ASP 69.A OD1 no hydrogen 3.347 N/A ARG 71.A NE ASP 69.A OD2 no hydrogen 2.948 N/A ARG 71.A NH1 PRO 384.A O no hydrogen 3.172 N/A ARG 71.A NH2 ASP 69.A OD1 no hydrogen 2.688 N/A ASN 74.A N PHE 70.A O no hydrogen 2.711 N/A LYS 75.A N ARG 71.A O no hydrogen 3.064 N/A LYS 75.A NZ GLU 72.A OE2 no hydrogen 3.430 N/A ARG 76.A N GLU 72.A O no hydrogen 2.856 N/A ARG 76.A NE ASP 12.A O no hydrogen 2.866 N/A THR 77.A N ASN 74.A O no hydrogen 3.343 N/A THR 77.A OG1 LEU 73.A O no hydrogen 2.919 N/A THR 77.A OG1 ASN 74.A O no hydrogen 3.207 N/A PHE 80.A N THR 77.A O no hydrogen 2.653 N/A TRP 81.A NE1 ASN 74.A O no hydrogen 2.742 N/A GLU 82.A N GLN 78.A O no hydrogen 3.155 N/A VAL 83.A N ASP 79.A O no hydrogen 3.226 N/A HIS 89.A NE2 ILE 354.A O no hydrogen 2.807 N/A LEU 93.A N PRO 90.A O no hydrogen 3.477 N/A LYS 94.A NZ ALA 91.A O no hydrogen 2.779 N/A LYS 95.A N GLY 92.A O no hydrogen 2.961 N/A LYS 96.A N LEU 93.A O no hydrogen 3.266 N/A LYS 96.A NZ ASP 170.A O no hydrogen 3.052 N/A LYS 97.A N ASP 185.A OD1 no hydrogen 2.982 N/A SER 98.A N SER 184.A O no hydrogen 3.113 N/A VAL 99.A N LEU 211.A O no hydrogen 2.846 N/A THR 100.A N VAL 182.A O no hydrogen 2.844 N/A THR 100.A OG1 HIS 191.A NE2 no hydrogen 2.833 N/A VAL 101.A N TYR 209.A O no hydrogen 3.181 N/A LEU 102.A N LEU 180.A O no hydrogen 2.799 N/A VAL 104.A N ASP 178.A O no hydrogen 2.781 N/A GLY 105.A N ASP 103.A OD2 no hydrogen 3.002 N/A ALA 107.A N VAL 104.A O no hydrogen 2.990 N/A TYR 108.A N GLY 105.A O no hydrogen 3.105 N/A TYR 108.A OH MET 177.A O no hydrogen 2.528 N/A PHE 109.A N ASP 106.A O no hydrogen 3.208 N/A SER 110.A OG ALA 107.A O no hydrogen 2.923 N/A VAL 111.A N TYR 108.A O no hydrogen 3.063 N/A LEU 113.A N ASN 140.A O no hydrogen 2.705 N/A ASP 116.A N ASP 114.A OD1 no hydrogen 3.193 N/A PHE 117.A N ASP 114.A O no hydrogen 2.782 N/A ARG 118.A NE LEU 113.A O no hydrogen 2.844 N/A ARG 118.A NH2 LEU 113.A O no hydrogen 3.047 N/A TYR 120.A N PHE 117.A O no hydrogen 3.101 N/A THR 121.A N ARG 118.A O no hydrogen 2.911 N/A THR 121.A OG1 ARG 118.A O no hydrogen 2.676 N/A ALA 122.A N LYS 119.A O no hydrogen 3.384 N/A PHE 123.A N TYR 137.A O no hydrogen 2.999 N/A THR 124.A OG1 ASN 52.A OD1 no hydrogen 2.611 N/A ILE 125.A N ILE 135.A O no hydrogen 2.801 N/A SER 127.A OG THR 132.A O no hydrogen 2.984 N/A SER 127.A OG THR 132.A OG1 no hydrogen 3.367 N/A ASN 129.A ND2 GLU 131.A OE2 no hydrogen 3.194 N/A ASN 130.A N SER 127.A O no hydrogen 3.209 N/A GLU 131.A N ILE 128.A O no hydrogen 3.345 N/A THR 132.A N SER 127.A OG no hydrogen 3.240 N/A ILE 135.A N ILE 125.A O no hydrogen 2.842 N/A ARG 136.A NE THR 124.A OG1 no hydrogen 3.182 N/A ARG 136.A NH1 ASN 49.A O no hydrogen 3.190 N/A ARG 136.A NH2 TYR 51.A O no hydrogen 2.805 N/A ARG 136.A NH2 ASN 52.A OD1 no hydrogen 3.359 N/A ARG 136.A NH2 THR 124.A OG1 no hydrogen 3.406 N/A TYR 137.A N PHE 123.A O no hydrogen 3.104 N/A GLN 138.A N SER 43.A O no hydrogen 3.050 N/A TYR 139.A N THR 121.A OG1 no hydrogen 2.910 N/A ASN 140.A N LYS 41.A O no hydrogen 2.736 N/A ASN 140.A ND2 SER 43.A OG no hydrogen 3.165 N/A LEU 142.A N VAL 111.A O no hydrogen 2.962 N/A GLY 145.A N ASP 178.A OD1 no hydrogen 3.333 N/A SER 149.A N TRP 146.A O no hydrogen 2.964 N/A SER 149.A OG PRO 143.A O no hydrogen 2.643 N/A SER 149.A OG TRP 146.A O no hydrogen 3.443 N/A ILE 152.A N GLY 148.A O no hydrogen 2.887 N/A PHE 153.A N SER 149.A O no hydrogen 2.869 N/A GLN 154.A NE2 GLY 86.A O no hydrogen 3.307 N/A MET 157.A N PHE 153.A O no hydrogen 2.892 N/A THR 158.A N GLN 154.A O no hydrogen 3.103 N/A ILE 160.A N SER 156.A O no hydrogen 3.006 N/A LEU 161.A N MET 157.A O no hydrogen 3.037 N/A ARG 165.A N LEU 161.A O no hydrogen 2.790 N/A ARG 165.A NH2 ILE 173.A O no hydrogen 2.801 N/A LYS 166.A N GLU 162.A O no hydrogen 2.823 N/A GLN 167.A N PRO 163.A O no hydrogen 2.916 N/A ASN 168.A N PHE 164.A O no hydrogen 2.995 N/A ASN 168.A N ARG 165.A O no hydrogen 3.228 N/A ILE 171.A N ASN 168.A O no hydrogen 3.108 N/A VAL 172.A N GLY 183.A O no hydrogen 2.944 N/A TYR 174.A N TYR 181.A O no hydrogen 2.854 N/A TYR 176.A N ASP 179.A O no hydrogen 2.944 N/A TYR 176.A OH THR 358.A OG1 no hydrogen 2.756 N/A ASP 179.A N TYR 176.A O no hydrogen 3.011 N/A LEU 180.A N LEU 102.A O no hydrogen 2.718 N/A TYR 181.A N TYR 174.A O no hydrogen 2.704 N/A VAL 182.A N THR 100.A O no hydrogen 2.823 N/A GLY 183.A N VAL 172.A O no hydrogen 2.699 N/A SER 184.A N SER 98.A O no hydrogen 3.027 N/A SER 184.A OG HIS 191.A ND1 no hydrogen 2.657 N/A LEU 186.A N SER 184.A OG no hydrogen 3.105 N/A GLY 189.A N GLU 187.A OE1 no hydrogen 2.974 N/A HIS 191.A N GLU 187.A O no hydrogen 2.765 N/A HIS 191.A ND1 SER 184.A OG no hydrogen 2.657 N/A HIS 191.A NE2 THR 100.A OG1 no hydrogen 2.833 N/A ARG 192.A N ILE 188.A O no hydrogen 2.983 N/A ARG 192.A NE GLU 210.A OE1 no hydrogen 2.803 N/A ARG 192.A NH2 GLU 210.A OE2 no hydrogen 3.081 N/A THR 193.A N GLY 189.A O no hydrogen 3.048 N/A THR 193.A OG1 GLY 189.A O no hydrogen 2.936 N/A LYS 194.A N GLN 190.A O no hydrogen 3.077 N/A LYS 194.A NZ GLU 197.A OE1 no hydrogen 3.513 N/A LYS 194.A NZ GLU 197.A OE2 no hydrogen 3.297 N/A ILE 195.A N HIS 191.A O no hydrogen 2.974 N/A GLU 196.A N ARG 192.A O no hydrogen 3.004 N/A GLU 197.A N THR 193.A O no hydrogen 3.021 N/A LEU 198.A N LYS 194.A O no hydrogen 2.858 N/A ARG 199.A N ILE 195.A O no hydrogen 2.756 N/A GLN 200.A N GLU 196.A O no hydrogen 3.022 N/A GLN 200.A N GLU 197.A O no hydrogen 3.133 N/A HIS 201.A N GLU 197.A O no hydrogen 3.411 N/A LEU 202.A N LEU 198.A O no hydrogen 3.046 N/A LEU 203.A N ARG 199.A O no hydrogen 2.815 N/A ARG 204.A N HIS 201.A O no hydrogen 3.027 N/A ARG 204.A NH1 GLN 200.A O no hydrogen 2.923 N/A ARG 204.A NH1 GLN 200.A OE1 no hydrogen 2.652 N/A TRP 205.A N LEU 202.A O no hydrogen 2.900 N/A GLY 206.A N LEU 203.A O no hydrogen 3.459 N/A LEU 207.A N LEU 202.A O no hydrogen 3.387 N/A LEU 211.A N VAL 99.A O no hydrogen 2.703 N/A HIS 212.A ND1 LYS 97.A O no hydrogen 2.878 N/A TRP 216.A N PRO 213.A O no hydrogen 3.302 N/A GLN 219.A N THR 328.A O no hydrogen 3.297 N/A GLN 219.A NE2 PRO 220.A O no hydrogen 2.689 N/A SER 228.A N ASP 227.A OD1 no hydrogen 2.818 N/A THR 230.A N ASP 233.A OD2 no hydrogen 3.079 N/A VAL 231.A N GLU 268.A O no hydrogen 2.982 N/A ASN 232.A N LEU 266.A O no hydrogen 2.991 N/A ASP 233.A N THR 230.A OG1 no hydrogen 2.725 N/A ILE 234.A N THR 230.A O no hydrogen 2.855 N/A GLN 235.A N VAL 231.A O no hydrogen 2.917 N/A LYS 236.A N ASN 232.A O no hydrogen 3.063 N/A LEU 237.A N ASP 233.A O no hydrogen 3.128 N/A VAL 238.A N ILE 234.A O no hydrogen 2.728 N/A GLY 239.A N GLN 235.A O no hydrogen 2.960 N/A LYS 240.A N LYS 236.A O no hydrogen 2.997 N/A LYS 240.A NZ VAL 222.A O no hydrogen 3.125 N/A LEU 241.A N LEU 237.A O no hydrogen 3.074 N/A ASN 242.A N VAL 238.A O no hydrogen 2.786 N/A ASN 242.A ND2 GLY 239.A O no hydrogen 3.646 N/A TRP 243.A N GLY 239.A O no hydrogen 3.071 N/A ALA 244.A N LYS 240.A O no hydrogen 3.018 N/A SER 245.A N LEU 241.A O no hydrogen 2.783 N/A GLN 246.A N TRP 243.A O no hydrogen 2.958 N/A ILE 247.A N ALA 244.A O no hydrogen 2.794 N/A TYR 248.A N ALA 244.A O no hydrogen 2.808 N/A GLN 255.A N GLU 279.A OE2 no hydrogen 3.390 N/A LEU 256.A N VAL 253.A O no hydrogen 2.810 N/A CYS 257.A N VAL 253.A O no hydrogen 3.220 N/A CYS 257.A SG VAL 253.A O no hydrogen 3.885 N/A CYS 257.A SG ARG 254.A O no hydrogen 3.222 N/A LYS 258.A N ARG 254.A O no hydrogen 3.259 N/A LEU 259.A N LEU 256.A O no hydrogen 3.183 N/A ARG 261.A N LEU 259.A O no hydrogen 2.899 N/A THR 263.A OG1 THR 263.A O no hydrogen 2.512 N/A GLU 268.A N ALA 265.A O no hydrogen 3.257 N/A ILE 270.A N TRP 229.A O no hydrogen 2.951 N/A GLU 277.A N THR 273.A O no hydrogen 2.657 N/A LEU 278.A N GLU 274.A O no hydrogen 3.204 N/A LEU 278.A N GLU 275.A O no hydrogen 2.926 N/A GLU 279.A N GLU 275.A O no hydrogen 3.149 N/A LEU 280.A N ALA 276.A O no hydrogen 3.290 N/A GLU 282.A N LEU 278.A O no hydrogen 2.764 N/A ASN 283.A N GLU 279.A O no hydrogen 2.574 N/A ARG 284.A N LEU 280.A O no hydrogen 2.804 N/A ARG 284.A NH1 LEU 223.A O no hydrogen 2.694 N/A ARG 284.A NH1 PRO 224.A O no hydrogen 3.185 N/A GLU 285.A N ALA 281.A O no hydrogen 2.984 N/A ILE 286.A N GLU 282.A O no hydrogen 2.956 N/A LEU 287.A N ASN 283.A O no hydrogen 2.685 N/A LYS 288.A N ARG 284.A O no hydrogen 3.139 N/A GLU 289.A N ILE 286.A O no hydrogen 3.157 N/A ASP 297.A N GLN 320.A OE1 no hydrogen 2.682 N/A SER 299.A N ASP 297.A OD1 no hydrogen 2.826 N/A SER 299.A OG ASP 297.A OD1 no hydrogen 2.742 N/A SER 299.A OG ASP 297.A OD2 no hydrogen 3.329 N/A LYS 300.A N ASP 297.A O no hydrogen 2.981 N/A ILE 303.A N TYR 319.A O no hydrogen 2.795 N/A ALA 304.A N LYS 360.A O no hydrogen 2.971 N/A GLU 305.A N GLN 317.A O no hydrogen 2.916 N/A GLN 307.A N THR 315.A O no hydrogen 2.730 N/A GLN 307.A NE2 GLN 317.A OE1 no hydrogen 2.796 N/A LYS 308.A NZ ASP 336.A OD1 no hydrogen 2.774 N/A GLN 309.A N GLN 313.A O no hydrogen 2.842 N/A GLN 309.A NE2 THR 315.A OG1 no hydrogen 3.197 N/A GLN 309.A NE2 LYS 396.A O no hydrogen 2.805 N/A GLN 313.A N GLY 310.A O no hydrogen 2.798 N/A TRP 314.A N TYR 331.A O no hydrogen 2.859 N/A THR 315.A N GLN 307.A O no hydrogen 2.969 N/A THR 315.A OG1 GLN 307.A OE1 no hydrogen 2.608 N/A TYR 316.A N GLY 329.A O no hydrogen 3.034 N/A TYR 316.A OH GLU 350.A OE2 no hydrogen 2.841 N/A GLN 317.A N GLU 305.A O no hydrogen 2.889 N/A GLN 317.A NE2 GLN 307.A OE1 no hydrogen 2.859 N/A ILE 318.A N LYS 327.A O no hydrogen 2.770 N/A TYR 319.A N ILE 303.A O no hydrogen 2.948 N/A TYR 319.A OH GLU 305.A OE1 no hydrogen 2.559 N/A GLN 320.A NE2 ASP 297.A O no hydrogen 2.805 N/A GLN 320.A NE2 ASP 301.A O no hydrogen 3.476 N/A LYS 324.A N GLU 321.A O no hydrogen 2.863 N/A LEU 326.A N ILE 318.A O no hydrogen 2.727 N/A LYS 327.A N ILE 318.A O no hydrogen 3.277 N/A LYS 327.A NZ TYR 316.A OH no hydrogen 3.193 N/A THR 328.A OG1 GLN 219.A O no hydrogen 2.843 N/A GLY 329.A N TYR 316.A O no hydrogen 3.003 N/A TYR 331.A N TRP 314.A O no hydrogen 2.804 N/A TYR 331.A OH GLU 342.A OE2 no hydrogen 2.616 N/A ARG 333.A N GLY 312.A O no hydrogen 3.208 N/A LYS 338.A N ASN 335.A OD1 no hydrogen 2.826 N/A GLN 339.A N ASN 335.A O no hydrogen 3.150 N/A LEU 340.A N ASP 336.A O no hydrogen 2.988 N/A THR 341.A N VAL 337.A O no hydrogen 2.897 N/A GLU 342.A N LYS 338.A O no hydrogen 2.914 N/A ALA 343.A N GLN 339.A O no hydrogen 2.813 N/A VAL 344.A N LEU 340.A O no hydrogen 2.853 N/A GLN 345.A N THR 341.A O no hydrogen 3.268 N/A LYS 346.A N GLU 342.A O no hydrogen 2.969 N/A LYS 346.A NZ LYS 330.A O no hydrogen 3.273 N/A ILE 347.A N ALA 343.A O no hydrogen 2.801 N/A THR 348.A N VAL 344.A O no hydrogen 2.880 N/A THR 348.A OG1 VAL 344.A O no hydrogen 2.604 N/A THR 349.A N GLN 345.A O no hydrogen 2.889 N/A THR 349.A OG1 GLN 345.A O no hydrogen 2.774 N/A GLU 350.A N LYS 346.A O no hydrogen 3.029 N/A SER 351.A N ILE 347.A O no hydrogen 3.041 N/A SER 351.A OG LYS 357.A O no hydrogen 2.577 N/A ILE 352.A N THR 348.A O no hydrogen 2.905 N/A VAL 353.A N THR 349.A O no hydrogen 2.999 N/A ILE 354.A N GLU 350.A O no hydrogen 2.756 N/A TRP 355.A N SER 351.A O no hydrogen 2.847 N/A GLY 356.A N ILE 352.A O no hydrogen 2.853 N/A LYS 357.A NZ PRO 298.A O no hydrogen 3.211 N/A THR 358.A OG1 TYR 176.A OH no hydrogen 2.756 N/A LYS 360.A N LEU 302.A O no hydrogen 2.685 N/A PHE 361.A N GLU 385.A O no hydrogen 2.867 N/A LYS 362.A N ALA 304.A O no hydrogen 2.757 N/A LYS 362.A NZ GLU 305.A OE1 no hydrogen 3.313 N/A LEU 363.A N GLU 387.A O no hydrogen 2.880 N/A ILE 365.A N LEU 363.A O no hydrogen 2.887 N/A GLU 368.A N GLU 368.A OE1 no hydrogen 2.550 N/A TRP 370.A N GLN 366.A O no hydrogen 2.927 N/A GLU 371.A N LYS 367.A O no hydrogen 3.121 N/A THR 372.A N GLU 368.A O no hydrogen 3.186 N/A THR 372.A OG1 GLU 368.A O no hydrogen 2.993 N/A TRP 373.A N TRP 370.A O no hydrogen 3.153 N/A TRP 374.A N TRP 370.A O no hydrogen 2.927 N/A GLU 376.A N TRP 373.A O no hydrogen 2.697 N/A TYR 377.A N TRP 374.A O no hydrogen 3.188 N/A TRP 378.A N TRP 374.A O no hydrogen 3.017 N/A TRP 378.A NE1 TRP 382.A O no hydrogen 2.975 N/A GLU 387.A N PHE 361.A O no hydrogen 2.791 N/A VAL 389.A N LEU 363.A O no hydrogen 3.098 N/A LEU 397.A N PRO 393.A O no hydrogen 3.448 N/A TRP 398.A N LEU 394.A O no hydrogen 3.006 N/A TYR 399.A N LYS 396.A O no hydrogen 3.331 N/A TYR 399.A OH ASN 325.A OD1 no hydrogen 3.119 N/A GLN 400.A N LEU 397.A O no hydrogen 3.288 N/A