Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jkt_M.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLN 71.A OE1 no hydrogen 2.859 N/A ILE 2.A N GLY 119.A O no hydrogen 3.154 N/A GLY 3.A N VAL 68.A O no hydrogen 2.925 N/A PHE 6.A N ALA 66.A O no hydrogen 2.848 N/A ILE 7.A N ILE 16.A O no hydrogen 3.030 N/A TYR 8.A N TRP 64.A O no hydrogen 2.822 N/A TYR 8.A OH VAL 29.A O no hydrogen 3.199 N/A ASN 9.A N GLU 13.A O no hydrogen 3.218 N/A GLY 12.A N ASN 9.A O no hydrogen 2.734 N/A LEU 15.A N ILE 7.A O no hydrogen 2.721 N/A ILE 16.A N ILE 7.A O no hydrogen 3.384 N/A SER 17.A N TYR 109.A OH no hydrogen 3.205 N/A ARG 18.A N LEU 5.A O no hydrogen 3.037 N/A TYR 20.A N GLY 3.A O no hydrogen 2.628 N/A ARG 21.A NH1 TYR 20.A O no hydrogen 2.891 N/A ARG 21.A NH1 PHE 118.A O no hydrogen 3.232 N/A ILE 24.A N ARG 21.A O no hydrogen 3.404 N/A ASN 27.A ND2 ILE 24.A O no hydrogen 3.461 N/A ALA 31.A N ASN 27.A O no hydrogen 3.253 N/A ARG 33.A N VAL 29.A O no hydrogen 3.043 N/A ARG 33.A NE ASP 30.A OD1 no hydrogen 2.705 N/A VAL 34.A N ASP 30.A O no hydrogen 2.849 N/A ASN 35.A N PHE 32.A O no hydrogen 3.380 N/A ASN 35.A ND2 ALA 31.A O no hydrogen 3.413 N/A VAL 36.A N PHE 32.A O no hydrogen 2.785 N/A ILE 37.A N PHE 32.A O no hydrogen 3.223 N/A HIS 38.A N ARG 33.A O no hydrogen 2.738 N/A HIS 38.A ND1 ASP 256.A OD2 no hydrogen 2.984 N/A GLN 41.A NE2 ASN 284.A O no hydrogen 3.084 N/A ARG 44.A NE VAL 36.A O no hydrogen 2.976 N/A ARG 44.A NH2 ILE 37.A O no hydrogen 3.389 N/A THR 48.A N PHE 55.A O no hydrogen 3.367 N/A ILE 50.A N THR 53.A O no hydrogen 2.904 N/A THR 53.A OG1 ALA 51.A O no hydrogen 2.967 N/A SER 54.A N THR 69.A O no hydrogen 3.016 N/A PHE 55.A N THR 48.A O no hydrogen 3.113 N/A HIS 57.A N PRO 46.A O no hydrogen 3.353 N/A VAL 58.A N LEU 65.A O no hydrogen 2.983 N/A LYS 59.A NZ ASP 201.A OD2 no hydrogen 2.504 N/A ARG 60.A N ILE 63.A O no hydrogen 3.041 N/A TRP 64.A N TYR 8.A O no hydrogen 3.093 N/A LEU 65.A N VAL 58.A O no hydrogen 3.005 N/A ALA 66.A N PHE 6.A O no hydrogen 2.848 N/A ALA 67.A N PHE 56.A O no hydrogen 2.682 N/A VAL 68.A N GLY 4.A O no hydrogen 3.251 N/A THR 69.A N SER 54.A O no hydrogen 3.165 N/A THR 69.A OG1 MET 1.A O no hydrogen 3.109 N/A LYS 70.A NZ ASP 23.A O no hydrogen 2.549 N/A GLN 71.A N THR 69.A OG1 no hydrogen 2.873 N/A MET 77.A N ASN 74.A OD1 no hydrogen 3.266 N/A PHE 79.A N ALA 76.A O no hydrogen 3.240 N/A GLU 80.A N ALA 76.A O no hydrogen 3.107 N/A PHE 81.A N MET 77.A O no hydrogen 2.717 N/A LEU 82.A N VAL 78.A O no hydrogen 2.882 N/A TYR 83.A N PHE 79.A O no hydrogen 2.625 N/A LYS 84.A N GLU 80.A O no hydrogen 3.290 N/A MET 85.A N PHE 81.A O no hydrogen 2.897 N/A CYS 86.A N TYR 83.A O no hydrogen 2.963 N/A CYS 86.A SG LEU 82.A O no hydrogen 3.525 N/A ASP 87.A N TYR 83.A O no hydrogen 3.105 N/A VAL 88.A N LYS 84.A O no hydrogen 2.950 N/A ALA 90.A N CYS 86.A O no hydrogen 2.972 N/A ALA 90.A N ASP 87.A O no hydrogen 3.220 N/A ALA 91.A N ASP 87.A O no hydrogen 2.961 N/A ALA 91.A N VAL 88.A O no hydrogen 2.916 N/A TYR 92.A N VAL 88.A O no hydrogen 3.182 N/A GLY 94.A N ALA 90.A O no hydrogen 2.908 N/A LYS 95.A N GLN 141.A OE1 no hydrogen 3.292 N/A ILE 101.A N SER 97.A O no hydrogen 3.345 N/A LYS 102.A N GLU 98.A O no hydrogen 3.377 N/A ASN 104.A N ILE 101.A O no hydrogen 3.180 N/A ILE 108.A N ASN 104.A O no hydrogen 2.897 N/A TYR 109.A N PHE 105.A O no hydrogen 2.903 N/A GLU 110.A N VAL 106.A O no hydrogen 2.908 N/A LEU 111.A N LEU 107.A O no hydrogen 2.811 N/A LEU 112.A N ILE 108.A O no hydrogen 2.805 N/A ILE 115.A N LEU 111.A O no hydrogen 3.231 N/A ILE 115.A N LEU 112.A O no hydrogen 3.044 N/A ASP 117.A N TYR 120.A O no hydrogen 2.926 N/A TYR 120.A N ASP 117.A O no hydrogen 3.011 N/A GLN 122.A N ILE 115.A O no hydrogen 3.299 N/A ASN 123.A ND2 ASN 123.A O no hydrogen 2.436 N/A GLY 127.A N SER 124.A O no hydrogen 3.445 N/A THR 131.A N ALA 128.A O no hydrogen 3.262 N/A THR 131.A OG1 ALA 128.A O no hydrogen 2.676 N/A PHE 132.A N LEU 129.A O no hydrogen 3.167 N/A ILE 133.A N LEU 129.A O no hydrogen 2.776 N/A ILE 133.A N LYS 130.A O no hydrogen 3.241 N/A THR 134.A N GLU 110.A OE1 no hydrogen 2.841 N/A THR 134.A OG1 GLU 110.A OE1 no hydrogen 2.796 N/A GLN 136.A NE2 GLN 135.A OE1 no hydrogen 3.516 N/A LYS 139.A NZ GLY 137.A O no hydrogen 3.430 N/A ARG 145.A NE GLY 191.A O no hydrogen 2.953 N/A ARG 145.A NH1 PRO 241.A O no hydrogen 3.147 N/A ARG 145.A NH1 ASP 243.A OD2 no hydrogen 3.194 N/A ARG 145.A NH2 LEU 189.A O no hydrogen 2.411 N/A ARG 145.A NH2 GLY 191.A O no hydrogen 3.191 N/A TYR 151.A OH ASP 243.A OD1 no hydrogen 2.981 N/A ARG 153.A NH2 GLU 155.A OE1 no hydrogen 3.424 N/A GLU 155.A N TYR 188.A O no hydrogen 2.970 N/A LEU 156.A N ILE 393.A O no hydrogen 2.928 N/A PHE 157.A N LYS 186.A O no hydrogen 2.616 N/A LEU 158.A N TRP 395.A O no hydrogen 3.042 N/A ASP 159.A N VAL 184.A O no hydrogen 3.047 N/A VAL 160.A N ARG 397.A O no hydrogen 2.945 N/A LEU 161.A N ARG 182.A O no hydrogen 2.906 N/A GLU 162.A N ILE 399.A O no hydrogen 2.989 N/A SER 163.A N SER 180.A O no hydrogen 3.036 N/A VAL 164.A N ARG 401.A O no hydrogen 3.102 N/A ASN 165.A N HIS 178.A O no hydrogen 2.849 N/A LEU 166.A N ILE 404.A O no hydrogen 3.286 N/A LEU 167.A N SER 176.A O no hydrogen 2.983 N/A MET 168.A N GLU 406.A O no hydrogen 3.003 N/A SER 169.A N GLN 173.A O no hydrogen 2.736 N/A GLN 171.A N SER 169.A OG no hydrogen 3.310 N/A GLY 172.A N SER 169.A O no hydrogen 2.574 N/A LEU 175.A N LEU 167.A O no hydrogen 2.977 N/A HIS 178.A N ASN 165.A O no hydrogen 3.398 N/A VAL 179.A N THR 253.A O no hydrogen 2.983 N/A SER 180.A N SER 163.A O no hydrogen 3.022 N/A GLY 181.A N TYR 251.A O no hydrogen 2.968 N/A VAL 183.A N MET 249.A O no hydrogen 2.889 N/A VAL 184.A N ASP 159.A O no hydrogen 3.046 N/A MET 185.A N PHE 246.A O no hydrogen 3.021 N/A LYS 186.A N PHE 157.A O no hydrogen 3.155 N/A LYS 186.A NZ TYR 188.A OH no hydrogen 3.062 N/A SER 187.A N GLY 244.A O no hydrogen 2.682 N/A SER 187.A OG PRO 242.A O no hydrogen 3.526 N/A SER 190.A N ASN 154.A OD1 no hydrogen 3.035 N/A SER 190.A OG ASN 154.A OD1 no hydrogen 3.515 N/A GLY 191.A N ILE 149.A O no hydrogen 3.218 N/A CYS 195.A N PHE 239.A O no hydrogen 3.180 N/A LYS 196.A N LYS 379.A O no hydrogen 2.751 N/A PHE 197.A N ILE 237.A O no hydrogen 2.907 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 3.056 N/A LYS 202.A NZ ALA 39.A O no hydrogen 3.034 N/A LYS 202.A NZ ARG 40.A O no hydrogen 3.074 N/A ILE 203.A N ASP 201.A O no hydrogen 2.803 N/A THR 207.A N GLU 206.A OE1 no hydrogen 3.479 N/A SER 208.A OG SER 208.A O no hydrogen 2.666 N/A LYS 209.A NZ ASN 165.A OD1 no hydrogen 2.992 N/A LYS 209.A NZ SER 180.A OG no hydrogen 3.158 N/A SER 210.A OG SER 208.A O no hydrogen 2.383 N/A ASP 219.A N ARG 252.A O no hydrogen 2.944 N/A THR 221.A N ARG 250.A O no hydrogen 2.915 N/A HIS 223.A N LEU 248.A O no hydrogen 3.105 N/A CYS 225.A N HIS 223.A ND1 no hydrogen 3.287 N/A CYS 225.A SG HIS 223.A ND1 no hydrogen 2.776 N/A VAL 226.A N HIS 223.A O no hydrogen 3.106 N/A ARG 227.A N SER 238.A O no hydrogen 2.673 N/A PHE 231.A N LEU 228.A O no hydrogen 3.184 N/A SER 233.A N LYS 230.A O no hydrogen 2.886 N/A SER 236.A OG TYR 377.A OH no hydrogen 3.348 N/A SER 238.A N ARG 227.A O no hydrogen 3.255 N/A SER 238.A OG SER 236.A O no hydrogen 3.296 N/A PHE 239.A N CYS 195.A O no hydrogen 3.266 N/A GLY 244.A N SER 187.A O no hydrogen 2.890 N/A PHE 246.A N MET 185.A O no hydrogen 3.044 N/A ARG 250.A N THR 221.A O no hydrogen 2.909 N/A ARG 250.A NH2 THR 207.A O no hydrogen 3.328 N/A TYR 251.A OH GLU 162.A OE2 no hydrogen 2.245 N/A THR 254.A N ASP 218.A OD2 no hydrogen 3.086 N/A THR 254.A OG1 ASP 218.A OD1 no hydrogen 2.781 N/A THR 254.A OG1 ASP 218.A OD2 no hydrogen 3.244 N/A ILE 257.A N LYS 255.A O no hydrogen 2.594 N/A ILE 258.A N PRO 370.A O no hydrogen 2.890 N/A PHE 261.A N TYR 405.A OH no hydrogen 3.285 N/A ARG 262.A N LYS 282.A O no hydrogen 2.900 N/A ILE 264.A N VAL 280.A O no hydrogen 3.325 N/A LEU 266.A N LYS 278.A O no hydrogen 2.812 N/A ARG 272.A NH1 ASN 350.A O no hydrogen 2.651 N/A LYS 274.A NZ GLU 343.A OE1 no hydrogen 3.256 N/A LYS 274.A NZ GLU 343.A OE2 no hydrogen 3.338 N/A GLU 276.A N ARG 268.A O no hydrogen 3.323 N/A VAL 277.A N ALA 342.A O no hydrogen 3.050 N/A LYS 278.A N LEU 266.A O no hydrogen 3.020 N/A VAL 279.A N ILE 340.A O no hydrogen 2.954 N/A VAL 280.A N ILE 264.A O no hydrogen 3.348 N/A ILE 281.A N SER 338.A O no hydrogen 2.830 N/A LYS 282.A N ARG 262.A O no hydrogen 2.994 N/A SER 283.A N LYS 336.A O no hydrogen 3.150 N/A SER 283.A OG ALA 333.A O no hydrogen 2.966 N/A SER 283.A OG LYS 336.A O no hydrogen 2.764 N/A ASN 284.A N PRO 260.A O no hydrogen 3.295 N/A ALA 291.A N MET 332.A O no hydrogen 3.130 N/A GLN 292.A N GLU 365.A O no hydrogen 3.036 N/A ILE 294.A N ILE 329.A O no hydrogen 3.132 N/A GLU 295.A N ASN 363.A O no hydrogen 2.869 N/A VAL 296.A N TRP 327.A O no hydrogen 2.898 N/A ARG 297.A N SER 361.A O no hydrogen 2.940 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 3.103 N/A THR 300.A OG1 ASN 323.A OD1 no hydrogen 3.555 N/A ASN 303.A ND2 LEU 347.A O no hydrogen 3.094 N/A THR 304.A OG1 PRO 301.A O no hydrogen 2.692 N/A SER 305.A N GLU 345.A O no hydrogen 2.826 N/A GLY 306.A N GLU 345.A O no hydrogen 3.296 N/A GLN 308.A N GLU 343.A O no hydrogen 3.033 N/A MET 312.A N GLN 339.A O no hydrogen 3.372 N/A LYS 315.A N LYS 328.A O no hydrogen 3.324 N/A LYS 317.A N VAL 326.A O no hydrogen 3.288 N/A LYS 319.A N ALA 324.A O no hydrogen 3.168 N/A GLU 322.A N LYS 319.A O no hydrogen 2.808 N/A ASN 323.A N ALA 320.A O no hydrogen 3.131 N/A ILE 325.A N ILE 298.A O no hydrogen 2.823 N/A VAL 326.A N LYS 317.A O no hydrogen 2.859 N/A TRP 327.A N VAL 296.A O no hydrogen 2.997 N/A TRP 327.A NE1 LYS 313.A O no hydrogen 3.228 N/A LYS 328.A N LYS 315.A O no hydrogen 3.166 N/A ILE 329.A N ILE 294.A O no hydrogen 3.082 N/A MET 332.A N ALA 291.A O no hydrogen 3.305 N/A LYS 336.A N SER 283.A OG no hydrogen 2.979 N/A SER 338.A N ILE 281.A O no hydrogen 3.216 N/A SER 338.A OG GLU 337.A O no hydrogen 3.059 N/A GLN 339.A NE2 SER 341.A OG no hydrogen 3.307 N/A ILE 340.A N VAL 279.A O no hydrogen 2.910 N/A ALA 342.A N VAL 277.A O no hydrogen 2.715 N/A GLU 343.A N GLN 308.A O no hydrogen 2.776 N/A LEU 347.A N ASN 303.A O no hydrogen 2.739 N/A THR 349.A OG1 ASP 351.A O no hydrogen 3.564 N/A LYS 354.A NZ LYS 352.A O no hydrogen 2.837 N/A ALA 356.A N LYS 354.A O no hydrogen 2.423 N/A ARG 357.A NH2 GLU 269.A OE1 no hydrogen 3.016 N/A ILE 360.A N THR 407.A O no hydrogen 2.687 N/A MET 362.A N TYR 405.A O no hydrogen 2.952 N/A ASN 363.A N GLU 295.A O no hydrogen 3.091 N/A ASN 363.A ND2 SER 402.A OG no hydrogen 3.366 N/A PHE 364.A N SER 402.A OG no hydrogen 3.317 N/A VAL 366.A N GLY 400.A O no hydrogen 2.914 N/A SER 371.A N GLU 162.A OE1 no hydrogen 2.805 N/A SER 371.A OG GLU 162.A OE1 no hydrogen 3.262 N/A SER 371.A OG GLU 162.A OE2 no hydrogen 2.567 N/A GLY 372.A N ALA 369.A O no hydrogen 2.625 N/A LEU 373.A N SER 371.A OG no hydrogen 2.812 N/A LYS 374.A N ASN 200.A OD1 no hydrogen 2.899 N/A VAL 375.A N TYR 398.A OH no hydrogen 3.079 N/A ARG 376.A N GLY 198.A O no hydrogen 2.866 N/A TYR 377.A N GLY 198.A O no hydrogen 2.989 N/A LYS 379.A N LYS 196.A O no hydrogen 2.955 N/A LYS 379.A NZ ASP 389.A OD1 no hydrogen 3.316 N/A VAL 380.A N ASP 389.A OD2 no hydrogen 3.108 N/A PHE 381.A N GLU 194.A O no hydrogen 3.108 N/A LEU 385.A N GLU 382.A OE2 no hydrogen 2.902 N/A TYR 387.A OH SER 190.A O no hydrogen 2.526 N/A HIS 390.A N SER 388.A OG no hydrogen 3.043 N/A ASP 391.A N SER 388.A O no hydrogen 2.737 N/A ILE 393.A N ASN 154.A O no hydrogen 2.596 N/A LYS 394.A NZ LEU 378.A O no hydrogen 3.253 N/A LYS 394.A NZ ASP 389.A O no hydrogen 3.476 N/A LYS 394.A NZ ASP 389.A OD2 no hydrogen 2.917 N/A ARG 397.A N LEU 158.A O no hydrogen 3.042 N/A ILE 399.A N VAL 160.A O no hydrogen 2.883 N/A GLY 400.A N VAL 366.A O no hydrogen 2.777 N/A ARG 401.A N GLU 162.A O no hydrogen 2.615 N/A SER 402.A N PHE 364.A O no hydrogen 3.195 N/A SER 402.A OG MET 362.A O no hydrogen 3.311 N/A GLY 403.A N VAL 164.A O no hydrogen 3.013 N/A TYR 405.A OH PHE 261.A O no hydrogen 3.088 N/A GLU 406.A N LEU 166.A O no hydrogen 3.032 N/A THR 407.A N ILE 360.A O no hydrogen 2.898 N/A ARG 408.A N MET 168.A O no hydrogen 2.845 N/A CYS 409.A SG ARG 357.A O no hydrogen 3.724 N/A CYS 409.A SG PRO 358.A O no hydrogen 2.814 N/A