Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jkr_M.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLN 71.A OE1 no hydrogen 2.769 N/A ILE 2.A N GLY 119.A O no hydrogen 3.082 N/A GLY 3.A N VAL 68.A O no hydrogen 2.746 N/A GLY 4.A N VAL 68.A O no hydrogen 2.952 N/A LEU 5.A N ARG 18.A O no hydrogen 2.669 N/A PHE 6.A N ALA 66.A O no hydrogen 2.772 N/A ILE 7.A N ILE 16.A O no hydrogen 2.919 N/A TYR 8.A N TRP 64.A O no hydrogen 2.702 N/A TYR 8.A OH VAL 29.A O no hydrogen 2.937 N/A ASN 9.A N GLU 13.A O no hydrogen 3.222 N/A GLY 12.A N ASN 9.A O no hydrogen 2.706 N/A LEU 15.A N ILE 7.A O no hydrogen 2.651 N/A ILE 16.A N ILE 7.A O no hydrogen 3.242 N/A SER 17.A N TYR 109.A OH no hydrogen 3.110 N/A ARG 18.A N LEU 5.A O no hydrogen 2.879 N/A TYR 20.A N GLY 3.A O no hydrogen 2.502 N/A ARG 21.A NH1 TYR 20.A O no hydrogen 3.118 N/A ARG 21.A NH1 PHE 118.A O no hydrogen 3.236 N/A ILE 24.A N ARG 21.A O no hydrogen 3.494 N/A ASN 27.A ND2 ILE 24.A O no hydrogen 3.479 N/A ALA 31.A N ASN 27.A O no hydrogen 3.187 N/A ARG 33.A N VAL 29.A O no hydrogen 3.231 N/A ARG 33.A NE ASP 30.A OD1 no hydrogen 2.766 N/A ARG 33.A NH1 GLY 12.A O no hydrogen 2.448 N/A VAL 34.A N ASP 30.A O no hydrogen 2.816 N/A ASN 35.A N PHE 32.A O no hydrogen 3.439 N/A ASN 35.A ND2 ALA 31.A O no hydrogen 3.446 N/A VAL 36.A N PHE 32.A O no hydrogen 2.911 N/A ILE 37.A N PHE 32.A O no hydrogen 3.274 N/A HIS 38.A N ARG 33.A O no hydrogen 2.856 N/A HIS 38.A ND1 ASP 256.A OD2 no hydrogen 2.945 N/A ALA 39.A N VAL 36.A O no hydrogen 3.381 N/A GLN 41.A NE2 ASN 284.A O no hydrogen 3.083 N/A ARG 44.A NE VAL 36.A O no hydrogen 2.853 N/A ARG 44.A NH2 ILE 37.A O no hydrogen 3.242 N/A THR 48.A N PHE 55.A O no hydrogen 3.156 N/A ASN 49.A ND2 SER 54.A OG no hydrogen 3.001 N/A ILE 50.A N THR 53.A O no hydrogen 2.989 N/A THR 53.A OG1 ALA 51.A O no hydrogen 2.906 N/A SER 54.A N THR 69.A O no hydrogen 3.124 N/A PHE 55.A N THR 48.A O no hydrogen 2.905 N/A PHE 56.A N ALA 67.A O no hydrogen 2.909 N/A HIS 57.A N PRO 46.A O no hydrogen 3.328 N/A VAL 58.A N LEU 65.A O no hydrogen 3.045 N/A LYS 59.A NZ ASP 201.A OD2 no hydrogen 2.323 N/A ARG 60.A N ILE 63.A O no hydrogen 2.974 N/A TRP 64.A N TYR 8.A O no hydrogen 2.929 N/A LEU 65.A N VAL 58.A O no hydrogen 2.947 N/A ALA 66.A N PHE 6.A O no hydrogen 2.664 N/A ALA 67.A N PHE 56.A O no hydrogen 2.624 N/A VAL 68.A N GLY 4.A O no hydrogen 2.995 N/A THR 69.A N SER 54.A O no hydrogen 3.281 N/A THR 69.A OG1 MET 1.A O no hydrogen 3.121 N/A THR 69.A OG1 GLN 71.A O no hydrogen 3.540 N/A LYS 70.A NZ ASP 23.A O no hydrogen 2.642 N/A GLN 71.A N THR 69.A OG1 no hydrogen 2.938 N/A MET 77.A N ASN 74.A OD1 no hydrogen 3.388 N/A GLU 80.A N ALA 76.A O no hydrogen 2.993 N/A PHE 81.A N MET 77.A O no hydrogen 2.883 N/A LEU 82.A N VAL 78.A O no hydrogen 2.924 N/A TYR 83.A N PHE 79.A O no hydrogen 2.689 N/A LYS 84.A N GLU 80.A O no hydrogen 3.146 N/A MET 85.A N PHE 81.A O no hydrogen 2.808 N/A CYS 86.A N LEU 82.A O no hydrogen 3.151 N/A CYS 86.A N TYR 83.A O no hydrogen 3.023 N/A CYS 86.A SG LEU 82.A O no hydrogen 3.256 N/A ASP 87.A N TYR 83.A O no hydrogen 2.948 N/A VAL 88.A N LYS 84.A O no hydrogen 2.851 N/A MET 89.A N MET 85.A O no hydrogen 3.254 N/A ALA 90.A N CYS 86.A O no hydrogen 2.891 N/A ALA 91.A N ASP 87.A O no hydrogen 2.956 N/A TYR 92.A N VAL 88.A O no hydrogen 3.237 N/A TYR 92.A N MET 89.A O no hydrogen 3.294 N/A PHE 93.A N ALA 90.A O no hydrogen 3.297 N/A GLY 94.A N ALA 90.A O no hydrogen 2.618 N/A ASN 100.A N SER 97.A OG no hydrogen 3.235 N/A ILE 101.A N SER 97.A O no hydrogen 3.322 N/A LYS 102.A N GLU 98.A O no hydrogen 3.046 N/A ASN 104.A N ILE 101.A O no hydrogen 3.110 N/A ILE 108.A N ASN 104.A O no hydrogen 2.863 N/A TYR 109.A N PHE 105.A O no hydrogen 2.930 N/A GLU 110.A N VAL 106.A O no hydrogen 2.912 N/A LEU 111.A N LEU 107.A O no hydrogen 2.992 N/A LEU 112.A N ILE 108.A O no hydrogen 2.762 N/A ASP 113.A N TYR 109.A O no hydrogen 3.187 N/A ILE 115.A N LEU 111.A O no hydrogen 3.181 N/A ILE 115.A N LEU 112.A O no hydrogen 3.207 N/A ASP 117.A N TYR 120.A O no hydrogen 3.040 N/A TYR 120.A N ASP 117.A O no hydrogen 2.794 N/A ASN 123.A ND2 ASN 123.A O no hydrogen 2.445 N/A GLY 127.A N SER 124.A O no hydrogen 3.192 N/A THR 131.A OG1 ALA 128.A O no hydrogen 2.783 N/A PHE 132.A N LEU 129.A O no hydrogen 2.942 N/A ILE 133.A N LEU 129.A O no hydrogen 2.749 N/A THR 134.A OG1 GLU 110.A OE1 no hydrogen 2.847 N/A LYS 139.A NZ GLY 137.A O no hydrogen 3.505 N/A ARG 145.A NE GLY 191.A O no hydrogen 2.793 N/A ARG 145.A NH1 PRO 241.A O no hydrogen 3.053 N/A ARG 145.A NH1 ASP 243.A OD2 no hydrogen 3.531 N/A ARG 145.A NH2 LEU 189.A O no hydrogen 2.382 N/A ARG 145.A NH2 GLY 191.A O no hydrogen 2.995 N/A TYR 151.A OH ASP 243.A OD1 no hydrogen 3.059 N/A ARG 153.A NH2 GLU 155.A OE1 no hydrogen 3.444 N/A GLU 155.A N TYR 188.A O no hydrogen 3.065 N/A LEU 156.A N ILE 393.A O no hydrogen 2.877 N/A PHE 157.A N LYS 186.A O no hydrogen 2.682 N/A LEU 158.A N TRP 395.A O no hydrogen 2.873 N/A ASP 159.A N VAL 184.A O no hydrogen 2.933 N/A VAL 160.A N ARG 397.A O no hydrogen 2.808 N/A LEU 161.A N ARG 182.A O no hydrogen 2.818 N/A GLU 162.A N ILE 399.A O no hydrogen 2.972 N/A SER 163.A N SER 180.A O no hydrogen 2.946 N/A VAL 164.A N ARG 401.A O no hydrogen 3.008 N/A ASN 165.A N HIS 178.A O no hydrogen 2.897 N/A ASN 165.A ND2 ILE 404.A O no hydrogen 3.617 N/A LEU 166.A N ILE 404.A O no hydrogen 3.280 N/A LEU 167.A N SER 176.A O no hydrogen 2.969 N/A MET 168.A N GLU 406.A O no hydrogen 3.017 N/A SER 169.A N GLN 173.A O no hydrogen 2.707 N/A SER 169.A OG GLN 171.A OE1 no hydrogen 2.793 N/A GLY 172.A N SER 169.A O no hydrogen 2.835 N/A LEU 175.A N LEU 167.A O no hydrogen 2.966 N/A SER 176.A N LEU 167.A O no hydrogen 3.292 N/A HIS 178.A N ASN 165.A O no hydrogen 3.230 N/A VAL 179.A N THR 253.A O no hydrogen 2.994 N/A SER 180.A N SER 163.A O no hydrogen 2.848 N/A GLY 181.A N TYR 251.A O no hydrogen 2.666 N/A VAL 183.A N MET 249.A O no hydrogen 2.902 N/A VAL 184.A N ASP 159.A O no hydrogen 2.969 N/A MET 185.A N PHE 246.A O no hydrogen 3.069 N/A LYS 186.A N PHE 157.A O no hydrogen 3.059 N/A LYS 186.A NZ TYR 188.A OH no hydrogen 2.767 N/A SER 187.A N GLY 244.A O no hydrogen 2.801 N/A SER 187.A OG PRO 242.A O no hydrogen 3.496 N/A TYR 188.A N GLU 155.A O no hydrogen 2.947 N/A SER 190.A N ASN 154.A OD1 no hydrogen 3.324 N/A SER 190.A OG ASN 154.A OD1 no hydrogen 3.243 N/A GLY 191.A N ILE 149.A O no hydrogen 3.194 N/A CYS 195.A N PHE 239.A O no hydrogen 3.034 N/A LYS 196.A N LYS 379.A O no hydrogen 2.859 N/A PHE 197.A N ILE 237.A O no hydrogen 2.934 N/A ASN 200.A N LYS 374.A O no hydrogen 3.281 N/A ASN 200.A ND2 GLY 372.A O no hydrogen 3.111 N/A LYS 202.A NZ ALA 39.A O no hydrogen 3.467 N/A LYS 202.A NZ ARG 40.A O no hydrogen 3.159 N/A ILE 203.A N ASP 201.A O no hydrogen 2.694 N/A THR 207.A N GLU 206.A OE1 no hydrogen 3.018 N/A SER 208.A OG SER 208.A O no hydrogen 2.622 N/A LYS 209.A NZ ASN 165.A OD1 no hydrogen 3.228 N/A LYS 209.A NZ SER 180.A OG no hydrogen 3.119 N/A SER 210.A OG SER 208.A O no hydrogen 2.672 N/A ASP 219.A N ARG 252.A O no hydrogen 3.058 N/A THR 221.A N ARG 250.A O no hydrogen 2.861 N/A HIS 223.A N LEU 248.A O no hydrogen 3.233 N/A CYS 225.A N HIS 223.A ND1 no hydrogen 3.122 N/A CYS 225.A SG HIS 223.A ND1 no hydrogen 3.146 N/A VAL 226.A N HIS 223.A O no hydrogen 3.052 N/A ARG 227.A N SER 238.A O no hydrogen 2.614 N/A PHE 231.A N LEU 228.A O no hydrogen 3.263 N/A SER 233.A N LYS 230.A O no hydrogen 3.123 N/A ARG 235.A N SER 233.A O no hydrogen 2.636 N/A SER 236.A OG TYR 377.A OH no hydrogen 3.308 N/A SER 238.A N ARG 227.A O no hydrogen 3.196 N/A PHE 239.A N CYS 195.A O no hydrogen 3.228 N/A GLY 244.A N SER 187.A O no hydrogen 3.034 N/A PHE 246.A N MET 185.A O no hydrogen 2.813 N/A LEU 248.A N VAL 183.A O no hydrogen 3.042 N/A ARG 250.A N THR 221.A O no hydrogen 2.832 N/A ARG 250.A NH2 THR 207.A O no hydrogen 3.493 N/A TYR 251.A OH GLU 162.A OE2 no hydrogen 2.353 N/A THR 254.A N ASP 218.A OD2 no hydrogen 2.840 N/A THR 254.A OG1 ASP 218.A OD1 no hydrogen 2.730 N/A THR 254.A OG1 ASP 218.A OD2 no hydrogen 3.051 N/A LYS 255.A N THR 253.A OG1 no hydrogen 3.344 N/A ILE 257.A N LYS 255.A O no hydrogen 2.739 N/A ILE 258.A N PRO 370.A O no hydrogen 2.866 N/A PHE 261.A N TYR 405.A OH no hydrogen 3.023 N/A ARG 262.A N LYS 282.A O no hydrogen 2.901 N/A ARG 262.A NH1 PRO 170.A O no hydrogen 3.426 N/A ARG 262.A NH2 PRO 170.A O no hydrogen 3.486 N/A ILE 264.A N VAL 280.A O no hydrogen 2.991 N/A LEU 266.A N LYS 278.A O no hydrogen 2.780 N/A ARG 272.A NH1 ASN 350.A O no hydrogen 2.680 N/A LYS 274.A NZ GLU 343.A OE1 no hydrogen 3.045 N/A LYS 274.A NZ GLU 343.A OE2 no hydrogen 3.542 N/A LEU 275.A N ILE 344.A O no hydrogen 3.125 N/A GLU 276.A N ARG 268.A O no hydrogen 3.213 N/A VAL 277.A N ALA 342.A O no hydrogen 2.886 N/A LYS 278.A N LEU 266.A O no hydrogen 2.963 N/A VAL 279.A N ILE 340.A O no hydrogen 2.922 N/A VAL 280.A N ILE 264.A O no hydrogen 3.154 N/A ILE 281.A N SER 338.A O no hydrogen 2.753 N/A LYS 282.A N ARG 262.A O no hydrogen 2.933 N/A SER 283.A N LYS 336.A O no hydrogen 3.121 N/A SER 283.A OG ALA 333.A O no hydrogen 2.785 N/A SER 283.A OG LYS 336.A O no hydrogen 2.876 N/A ASN 284.A N PRO 260.A O no hydrogen 3.167 N/A ALA 291.A N MET 332.A O no hydrogen 3.088 N/A GLN 292.A N GLU 365.A O no hydrogen 2.953 N/A ILE 294.A N ILE 329.A O no hydrogen 3.156 N/A GLU 295.A N ASN 363.A O no hydrogen 2.957 N/A VAL 296.A N TRP 327.A O no hydrogen 2.746 N/A ARG 297.A N SER 361.A O no hydrogen 2.916 N/A ARG 297.A NH1 GLU 295.A OE2 no hydrogen 3.152 N/A ARG 297.A NH2 GLU 322.A OE2 no hydrogen 2.823 N/A ILE 298.A N ILE 325.A O no hydrogen 3.001 N/A THR 300.A N ASN 323.A O no hydrogen 3.406 N/A ASN 303.A ND2 LEU 347.A O no hydrogen 2.913 N/A THR 304.A OG1 PRO 301.A O no hydrogen 2.613 N/A SER 305.A N GLU 345.A O no hydrogen 2.819 N/A SER 305.A OG GLU 345.A O no hydrogen 3.288 N/A GLY 306.A N GLU 345.A O no hydrogen 3.139 N/A GLN 308.A N GLU 343.A O no hydrogen 2.910 N/A MET 312.A N GLN 339.A O no hydrogen 3.368 N/A LYS 315.A N LYS 328.A O no hydrogen 3.251 N/A LYS 317.A N VAL 326.A O no hydrogen 3.167 N/A LYS 319.A N ALA 324.A O no hydrogen 2.992 N/A GLU 322.A N LYS 319.A O no hydrogen 2.623 N/A ASN 323.A N ALA 320.A O no hydrogen 3.183 N/A ILE 325.A N ILE 298.A O no hydrogen 2.809 N/A VAL 326.A N LYS 317.A O no hydrogen 2.845 N/A TRP 327.A N VAL 296.A O no hydrogen 2.946 N/A TRP 327.A NE1 LYS 313.A O no hydrogen 3.152 N/A LYS 328.A N LYS 315.A O no hydrogen 2.962 N/A ILE 329.A N ILE 294.A O no hydrogen 2.847 N/A MET 332.A N ALA 291.A O no hydrogen 3.375 N/A GLY 334.A N LEU 289.A O no hydrogen 3.140 N/A LYS 336.A N SER 283.A OG no hydrogen 2.872 N/A SER 338.A N ILE 281.A O no hydrogen 3.032 N/A SER 338.A OG GLU 337.A O no hydrogen 3.030 N/A GLN 339.A NE2 SER 341.A OG no hydrogen 3.382 N/A ILE 340.A N VAL 279.A O no hydrogen 2.829 N/A ALA 342.A N VAL 277.A O no hydrogen 2.724 N/A GLU 343.A N GLN 308.A O no hydrogen 2.726 N/A ILE 344.A N LEU 275.A O no hydrogen 2.966 N/A GLU 345.A N GLY 306.A O no hydrogen 2.712 N/A LEU 346.A N THR 273.A O no hydrogen 2.870 N/A LEU 347.A N ASN 303.A O no hydrogen 2.750 N/A LYS 354.A NZ LYS 352.A O no hydrogen 2.746 N/A ALA 356.A N LYS 354.A O no hydrogen 2.355 N/A ARG 357.A NH1 CYS 409.A O no hydrogen 3.542 N/A ARG 357.A NH2 GLU 269.A OE1 no hydrogen 2.985 N/A ILE 360.A N THR 407.A O no hydrogen 2.815 N/A MET 362.A N TYR 405.A O no hydrogen 2.958 N/A ASN 363.A N GLU 295.A O no hydrogen 3.039 N/A PHE 364.A N SER 402.A OG no hydrogen 3.391 N/A GLU 365.A N GLN 292.A O no hydrogen 3.192 N/A VAL 366.A N GLY 400.A O no hydrogen 2.815 N/A SER 371.A N GLU 162.A OE1 no hydrogen 2.693 N/A SER 371.A OG GLU 162.A OE1 no hydrogen 3.179 N/A SER 371.A OG GLU 162.A OE2 no hydrogen 2.493 N/A GLY 372.A N ALA 369.A O no hydrogen 2.812 N/A LEU 373.A N SER 371.A OG no hydrogen 2.827 N/A LYS 374.A N ASN 200.A OD1 no hydrogen 3.104 N/A VAL 375.A N TYR 398.A OH no hydrogen 2.811 N/A ARG 376.A N GLY 198.A O no hydrogen 2.896 N/A TYR 377.A N GLY 198.A O no hydrogen 3.038 N/A LYS 379.A N LYS 196.A O no hydrogen 2.972 N/A VAL 380.A N ASP 389.A OD2 no hydrogen 3.034 N/A PHE 381.A N GLU 194.A O no hydrogen 3.089 N/A LYS 384.A N GLU 382.A OE2 no hydrogen 2.973 N/A LEU 385.A N GLU 382.A OE2 no hydrogen 2.992 N/A TYR 387.A OH SER 190.A O no hydrogen 2.643 N/A HIS 390.A N SER 388.A OG no hydrogen 3.208 N/A ASP 391.A N SER 388.A O no hydrogen 2.819 N/A VAL 392.A N ASP 389.A O no hydrogen 3.395 N/A ILE 393.A N ASN 154.A O no hydrogen 2.734 N/A LYS 394.A NZ LEU 378.A O no hydrogen 3.074 N/A LYS 394.A NZ ASP 389.A O no hydrogen 3.416 N/A LYS 394.A NZ ASP 389.A OD2 no hydrogen 2.631 N/A TRP 395.A N LEU 156.A O no hydrogen 3.310 N/A ARG 397.A N LEU 158.A O no hydrogen 2.936 N/A ILE 399.A N VAL 160.A O no hydrogen 2.863 N/A GLY 400.A N VAL 366.A O no hydrogen 2.614 N/A ARG 401.A N GLU 162.A O no hydrogen 2.703 N/A SER 402.A N PHE 364.A O no hydrogen 3.056 N/A SER 402.A OG MET 362.A O no hydrogen 3.536 N/A SER 402.A OG GLY 403.A O no hydrogen 3.557 N/A GLY 403.A N VAL 164.A O no hydrogen 2.811 N/A TYR 405.A OH PHE 261.A O no hydrogen 2.837 N/A GLU 406.A N LEU 166.A O no hydrogen 2.891 N/A THR 407.A N ILE 360.A O no hydrogen 2.717 N/A ARG 408.A N MET 168.A O no hydrogen 2.865 N/A CYS 409.A SG ARG 357.A O no hydrogen 3.826 N/A CYS 409.A SG PRO 358.A O no hydrogen 2.974 N/A