Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kbl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH TYR 161.A O no hydrogen 2.655 N/A GLU 4.A N LYS 158.A O no hydrogen 2.838 N/A LEU 6.A N VAL 156.A O no hydrogen 2.915 N/A THR 7.A N GLN 10.A OE1 no hydrogen 2.224 N/A THR 7.A OG1 GLN 10.A OE1 no hydrogen 2.696 N/A ILE 11.A N THR 7.A O no hydrogen 3.084 N/A LEU 12.A N ALA 8.A O no hydrogen 3.224 N/A GLN 13.A N GLU 9.A O no hydrogen 2.872 N/A HIS 14.A N GLN 10.A O no hydrogen 2.922 N/A MET 15.A N ILE 11.A O no hydrogen 2.823 N/A VAL 16.A N LEU 12.A O no hydrogen 2.844 N/A GLU 17.A N GLN 13.A O no hydrogen 3.103 N/A CYS 18.A N HIS 14.A O no hydrogen 3.039 N/A ILE 19.A N MET 15.A O no hydrogen 2.884 N/A ARG 20.A N VAL 16.A O no hydrogen 2.894 N/A ARG 20.A NE GLU 17.A OE1 no hydrogen 3.044 N/A ARG 20.A NE GLU 17.A OE2 no hydrogen 3.229 N/A ARG 20.A NH2 GLU 17.A OE2 no hydrogen 2.384 N/A GLU 21.A N GLU 17.A O no hydrogen 2.787 N/A VAL 22.A N ILE 19.A O no hydrogen 2.844 N/A ASN 23.A N ARG 20.A O no hydrogen 3.021 N/A ASN 23.A ND2 ASN 28.A O no hydrogen 2.942 N/A ASN 23.A ND2 THR 33.A OG1 no hydrogen 3.124 N/A GLN 27.A N ASN 23.A O no hydrogen 2.651 N/A ILE 32.A N PRO 29.A O no hydrogen 2.652 N/A THR 33.A N PRO 29.A O no hydrogen 3.367 N/A ARG 34.A N ALA 30.A O no hydrogen 3.091 N/A ARG 34.A NE ASP 114.A OD2 no hydrogen 3.068 N/A ARG 34.A NH1 GLN 99.A O no hydrogen 3.317 N/A ARG 34.A NH2 GLN 99.A O no hydrogen 2.857 N/A ARG 34.A NH2 ASP 114.A OD1 no hydrogen 3.080 N/A ARG 34.A NH2 ASP 114.A OD2 no hydrogen 3.331 N/A ILE 35.A N THR 31.A O no hydrogen 3.242 N/A LEU 36.A N ILE 32.A O no hydrogen 3.045 N/A LEU 37.A N THR 33.A O no hydrogen 2.734 N/A SER 38.A N ARG 34.A O no hydrogen 2.621 N/A SER 38.A OG SER 137.A OG no hydrogen 2.826 N/A HIS 39.A N ILE 35.A O no hydrogen 2.773 N/A PHE 40.A N LEU 36.A O no hydrogen 3.182 N/A PHE 40.A N LEU 37.A O no hydrogen 2.661 N/A ASN 41.A N SER 38.A O no hydrogen 3.387 N/A TRP 42.A N LEU 37.A O no hydrogen 3.208 N/A ASP 43.A N PHE 40.A O no hydrogen 3.341 N/A LYS 46.A N ASP 43.A OD2 no hydrogen 2.909 N/A MET 48.A N LYS 44.A O no hydrogen 3.073 N/A GLU 49.A N GLU 45.A O no hydrogen 2.748 N/A ARG 50.A N LYS 46.A O no hydrogen 3.223 N/A TYR 51.A N MET 48.A O no hydrogen 2.765 N/A PHE 52.A N MET 48.A O no hydrogen 3.169 N/A GLY 54.A N ARG 50.A O no hydrogen 3.096 N/A ASN 55.A ND2 ASN 55.A O no hydrogen 2.341 N/A CYS 58.A N LEU 63.A O no hydrogen 3.448 N/A CYS 61.A SG TYR 65.A OH no hydrogen 3.743 N/A CYS 75.A SG HIS 77.A ND1 no hydrogen 3.224 N/A GLY 76.A N LEU 73.A O no hydrogen 3.034 N/A GLN 82.A N GLN 82.A OE1 no hydrogen 2.410 N/A TRP 84.A N CYS 80.A O no hydrogen 3.048 N/A SER 85.A N MET 81.A O no hydrogen 3.064 N/A SER 85.A OG LEU 120.A O no hydrogen 2.434 N/A GLU 86.A N GLN 82.A O no hydrogen 3.156 N/A TYR 87.A N CYS 83.A O no hydrogen 2.970 N/A TYR 87.A OH SER 102.A O no hydrogen 2.690 N/A LEU 88.A N TRP 84.A O no hydrogen 2.855 N/A THR 89.A N SER 85.A O no hydrogen 2.996 N/A THR 89.A OG1 SER 85.A O no hydrogen 1.838 N/A THR 90.A N GLU 86.A O no hydrogen 2.941 N/A THR 90.A OG1 GLU 86.A O no hydrogen 3.509 N/A LYS 91.A N TYR 87.A O no hydrogen 3.013 N/A LYS 91.A N LEU 88.A O no hydrogen 2.805 N/A LYS 91.A NZ TYR 87.A OH no hydrogen 3.359 N/A LYS 91.A NZ HIS 106.A NE2 no hydrogen 3.189 N/A ILE 92.A N LEU 88.A O no hydrogen 2.894 N/A GLY 96.A N GLU 94.A OE2 no hydrogen 3.266 N/A GLN 99.A NE2 SER 38.A OG no hydrogen 2.880 N/A CYS 103.A N ILE 110.A O no hydrogen 3.039 N/A CYS 103.A SG HIS 77.A ND1 no hydrogen 3.344 N/A HIS 106.A N CYS 103.A O no hydrogen 3.080 N/A VAL 112.A N ILE 101.A O no hydrogen 2.967 N/A THR 116.A N ASP 113.A OD1 no hydrogen 3.260 N/A THR 116.A OG1 ASP 113.A O no hydrogen 2.851 N/A THR 116.A OG1 ASP 113.A OD1 no hydrogen 2.687 N/A MET 118.A N ASP 114.A O no hydrogen 2.989 N/A MET 118.A N ASN 115.A O no hydrogen 2.849 N/A ARG 119.A N ASN 115.A O no hydrogen 2.881 N/A LEU 120.A N THR 116.A O no hydrogen 2.958 N/A THR 122.A OG1 ASP 123.A OD1 no hydrogen 3.372 N/A LYS 125.A N ASP 123.A O no hydrogen 3.099 N/A LYS 127.A NZ MET 118.A O no hydrogen 3.549 N/A LEU 128.A N LYS 125.A O no hydrogen 2.605 N/A LYS 129.A N LYS 125.A O no hydrogen 2.880 N/A TYR 130.A N VAL 126.A O no hydrogen 2.971 N/A TYR 130.A OH ASP 114.A OD1 no hydrogen 3.225 N/A GLN 131.A N LYS 127.A O no hydrogen 3.250 N/A HIS 132.A N LEU 128.A O no hydrogen 2.966 N/A LEU 133.A N LYS 129.A O no hydrogen 3.294 N/A ILE 134.A N TYR 130.A O no hydrogen 2.867 N/A THR 135.A N GLN 131.A O no hydrogen 3.121 N/A THR 135.A OG1 GLN 131.A O no hydrogen 2.781 N/A ASN 136.A N HIS 132.A O no hydrogen 2.720 N/A ASN 136.A ND2 GLU 140.A OE2 no hydrogen 2.925 N/A SER 137.A OG SER 38.A O no hydrogen 3.516 N/A SER 137.A OG SER 38.A OG no hydrogen 2.826 N/A VAL 139.A N THR 135.A O no hydrogen 3.131 N/A GLU 140.A N ASN 136.A O no hydrogen 3.130 N/A CYS 141.A N SER 137.A O no hydrogen 3.134 N/A CYS 141.A SG ASN 41.A OD1 no hydrogen 3.837 N/A CYS 141.A SG SER 137.A O no hydrogen 3.231 N/A LEU 144.A N ASN 142.A OD1 no hydrogen 2.437 N/A LYS 146.A N VAL 157.A O no hydrogen 3.101 N/A LYS 146.A NZ ASN 178.A O no hydrogen 3.309 N/A CYS 148.A N HIS 155.A O no hydrogen 3.307 N/A CYS 153.A SG HIS 155.A ND1 no hydrogen 3.745 N/A VAL 156.A N LEU 6.A O no hydrogen 2.929 N/A VAL 157.A N LYS 146.A O no hydrogen 2.986 N/A LYS 158.A N GLU 4.A O no hydrogen 2.662 N/A LYS 158.A NZ GLU 4.A OE1 no hydrogen 2.597 N/A VAL 159.A N LEU 144.A O no hydrogen 2.950 N/A GLN 160.A N ARG 2.A O no hydrogen 3.392 N/A ASP 163.A N TYR 1.A OH no hydrogen 3.339 N/A VAL 167.A N PHE 175.A O no hydrogen 2.830 N/A ARG 168.A N TYR 3.A OH no hydrogen 3.311 N/A CYS 169.A N ARG 173.A O no hydrogen 3.070 N/A CYS 169.A SG CYS 169.A O no hydrogen 2.729 N/A PHE 175.A N VAL 167.A O no hydrogen 2.958 N/A CYS 176.A N GLU 181.A O no hydrogen 2.944 N/A CYS 176.A SG HIS 184.A NE2 no hydrogen 3.429 N/A PHE 177.A N LYS 165.A O no hydrogen 3.010 N/A CYS 179.A SG HIS 184.A NE2 no hydrogen 3.431 N/A GLY 180.A N CYS 176.A O no hydrogen 2.959 N/A HIS 184.A ND1 VAL 187.A O no hydrogen 3.022 N/A VAL 187.A N HIS 184.A O no hydrogen 3.045 N/A LEU 192.A N LYS 188.A O no hydrogen 3.201 N/A LYS 193.A N CYS 189.A O no hydrogen 3.296 N/A LYS 194.A N LYS 190.A O no hydrogen 3.206 N/A TRP 195.A N TRP 191.A O no hydrogen 2.896 N/A ILE 196.A N LEU 192.A O no hydrogen 2.802 N/A LYS 197.A N LYS 193.A O no hydrogen 3.106 N/A LYS 197.A N LYS 194.A O no hydrogen 3.196 N/A LYS 198.A N TRP 195.A O no hydrogen 3.157 N/A LYS 198.A NZ TYR 324.A OH no hydrogen 2.641 N/A CYS 199.A SG TRP 195.A O no hydrogen 3.928 N/A CYS 199.A SG TYR 265.A OH no hydrogen 3.737 N/A LYS 205.A N ILE 214.A O no hydrogen 3.408 N/A LYS 205.A NZ TRP 236.A O no hydrogen 2.688 N/A GLU 206.A N GLU 206.A OE2 no hydrogen 2.587 N/A CYS 207.A N VAL 212.A O no hydrogen 2.812 N/A HIS 211.A N CYS 207.A O no hydrogen 2.515 N/A ILE 214.A N LYS 205.A O no hydrogen 2.963 N/A LYS 216.A N ASN 203.A O no hydrogen 3.221 N/A LYS 216.A NZ ASN 221.A OD1 no hydrogen 3.411 N/A LYS 216.A NZ SER 278.A OG no hydrogen 3.322 N/A CYS 220.A SG HIS 222.A O no hydrogen 3.642 N/A CYS 220.A SG GLU 346.A O no hydrogen 3.584 N/A ASN 221.A N GLU 346.A OE2 no hydrogen 2.776 N/A ASN 221.A ND2 SER 278.A OG no hydrogen 3.115 N/A ASN 221.A ND2 GLU 346.A OE1 no hydrogen 2.651 N/A ASN 221.A ND2 GLU 346.A OE2 no hydrogen 2.965 N/A MET 223.A N PHE 234.A O no hydrogen 3.047 N/A CYS 225.A N ALA 232.A O no hydrogen 3.124 N/A CYS 225.A SG CYS 230.A O no hydrogen 3.400 N/A ARG 226.A NH1 ASP 217.A OD2 no hydrogen 3.345 N/A ASN 229.A N ASN 227.A OD1 no hydrogen 2.999 N/A PHE 234.A N MET 223.A O no hydrogen 3.037 N/A CYS 235.A N GLY 240.A O no hydrogen 2.832 N/A CYS 235.A SG HIS 245.A NE2 no hydrogen 3.439 N/A TRP 236.A N ASN 221.A O no hydrogen 2.996 N/A CYS 238.A SG HIS 245.A NE2 no hydrogen 3.458 N/A CYS 238.A SG TYR 250.A OH no hydrogen 3.179 N/A SER 247.A N PRO 244.A O no hydrogen 3.151 N/A SER 247.A OG PRO 244.A O no hydrogen 3.092 N/A ASN 253.A ND2 GLU 335.A O no hydrogen 2.783 N/A ASN 253.A ND2 GLN 338.A OE1 no hydrogen 3.028 N/A TYR 255.A OH GLN 263.A OE1 no hydrogen 2.656 N/A GLN 263.A N ALA 260.A O no hydrogen 3.096 N/A ARG 264.A N ALA 260.A O no hydrogen 2.744 N/A ARG 264.A NH2 PHE 323.A O no hydrogen 2.515 N/A TYR 265.A N ALA 261.A O no hydrogen 2.785 N/A PHE 267.A N GLN 263.A O no hydrogen 3.325 N/A TYR 268.A N ARG 264.A O no hydrogen 3.375 N/A CYS 269.A N TYR 265.A O no hydrogen 3.004 N/A CYS 269.A SG TYR 265.A OH no hydrogen 3.790 N/A ASN 270.A N LEU 266.A O no hydrogen 3.179 N/A ARG 271.A N PHE 267.A O no hydrogen 3.160 N/A ARG 271.A NE CYS 252.A O no hydrogen 3.053 N/A ARG 271.A NH1 PHE 267.A O no hydrogen 3.235 N/A ARG 271.A NH2 CYS 252.A O no hydrogen 2.858 N/A TYR 272.A N TYR 268.A O no hydrogen 2.972 N/A MET 273.A N CYS 269.A O no hydrogen 2.620 N/A ASN 274.A N ASN 270.A O no hydrogen 3.079 N/A ASN 274.A ND2 ASN 221.A OD1 no hydrogen 2.878 N/A HIS 275.A N ARG 271.A O no hydrogen 2.876 N/A MET 276.A N TYR 272.A O no hydrogen 3.139 N/A MET 276.A N MET 273.A O no hydrogen 3.215 N/A GLN 277.A N MET 273.A O no hydrogen 3.096 N/A SER 278.A N ASN 274.A O no hydrogen 3.079 N/A SER 278.A OG GLY 219.A O no hydrogen 3.247 N/A LEU 279.A N HIS 275.A O no hydrogen 2.975 N/A ARG 280.A N MET 276.A O no hydrogen 2.720 N/A PHE 281.A N GLN 277.A O no hydrogen 3.128 N/A GLU 282.A N SER 278.A O no hydrogen 3.024 N/A HIS 283.A N ARG 280.A O no hydrogen 3.010 N/A TYR 286.A N HIS 283.A O no hydrogen 3.024 N/A TYR 286.A OH ASP 306.A OD1 no hydrogen 2.351 N/A VAL 289.A N TYR 286.A O no hydrogen 2.730 N/A VAL 298.A N TRP 295.A O no hydrogen 2.918 N/A GLN 299.A N TRP 295.A O no hydrogen 3.039 N/A GLN 299.A N ILE 296.A O no hydrogen 3.106 N/A ALA 304.A N PHE 300.A O no hydrogen 3.129 N/A ASP 306.A N LYS 302.A O no hydrogen 2.627 N/A VAL 307.A N LYS 303.A O no hydrogen 2.481 N/A LEU 308.A N ALA 304.A O no hydrogen 2.690 N/A CYS 309.A N VAL 305.A O no hydrogen 2.702 N/A CYS 309.A SG GLU 282.A O no hydrogen 3.961 N/A GLN 310.A N ASP 306.A O no hydrogen 2.785 N/A CYS 311.A N VAL 307.A O no hydrogen 2.992 N/A CYS 311.A SG VAL 307.A O no hydrogen 3.303 N/A CYS 311.A SG CYS 375.A O no hydrogen 4.014 N/A ARG 312.A N LEU 308.A O no hydrogen 3.247 N/A ARG 312.A NE HIS 275.A ND1 no hydrogen 3.390 N/A ARG 312.A NH1 GLU 282.A OE1 no hydrogen 2.476 N/A ALA 313.A N CYS 309.A O no hydrogen 3.360 N/A THR 314.A N GLN 310.A O no hydrogen 3.123 N/A LEU 315.A N CYS 311.A O no hydrogen 2.963 N/A LEU 315.A N ARG 312.A O no hydrogen 3.244 N/A MET 316.A N ARG 312.A O no hydrogen 3.152 N/A TYR 317.A N ALA 313.A O no hydrogen 3.134 N/A THR 318.A N THR 314.A O no hydrogen 2.891 N/A THR 318.A OG1 THR 314.A O no hydrogen 2.838 N/A THR 318.A OG1 LEU 315.A O no hydrogen 2.623 N/A TYR 319.A N LEU 315.A O no hydrogen 2.924 N/A TYR 319.A N MET 316.A O no hydrogen 2.998 N/A TYR 319.A OH GLU 342.A OE2 no hydrogen 2.987 N/A VAL 320.A N MET 316.A O no hydrogen 3.077 N/A PHE 321.A N TYR 317.A O no hydrogen 2.873 N/A ALA 322.A N THR 318.A O no hydrogen 2.946 N/A PHE 323.A N TYR 319.A O no hydrogen 2.832 N/A LEU 325.A N ALA 322.A O no hydrogen 3.074 N/A LYS 327.A NZ GLU 335.A OE1 no hydrogen 3.245 N/A LYS 327.A NZ GLU 335.A OE2 no hydrogen 2.788 N/A ASN 328.A ND2 LYS 326.A O no hydrogen 3.186 N/A GLN 330.A N ASN 328.A OD1 no hydrogen 3.184 N/A PHE 334.A N GLN 330.A O no hydrogen 2.752 N/A GLU 335.A N SER 331.A O no hydrogen 2.713 N/A ASN 336.A N ILE 333.A O no hydrogen 2.820 N/A ASN 337.A N ILE 333.A O no hydrogen 2.866 N/A GLN 338.A N PHE 334.A O no hydrogen 2.974 N/A ALA 339.A N GLU 335.A O no hydrogen 3.423 N/A ASP 340.A N ASN 336.A O no hydrogen 2.976 N/A LEU 341.A N ASN 337.A O no hydrogen 3.227 N/A GLU 342.A N GLN 338.A O no hydrogen 2.646 N/A ASN 343.A N ALA 339.A O no hydrogen 3.047 N/A ALA 344.A N ASP 340.A O no hydrogen 2.905 N/A THR 345.A N LEU 341.A O no hydrogen 3.006 N/A THR 345.A OG1 LEU 341.A O no hydrogen 2.751 N/A GLU 346.A N GLU 342.A O no hydrogen 2.959 N/A VAL 347.A N ASN 343.A O no hydrogen 2.908 N/A LEU 348.A N ALA 344.A O no hydrogen 3.233 N/A SER 349.A N THR 345.A O no hydrogen 2.690 N/A SER 349.A OG GLY 219.A O no hydrogen 3.107 N/A SER 349.A OG GLU 282.A OE2 no hydrogen 3.226 N/A GLY 350.A N GLU 346.A O no hydrogen 3.001 N/A TYR 351.A N LEU 348.A O no hydrogen 2.941 N/A TYR 351.A OH ASP 359.A OD2 no hydrogen 3.387 N/A LEU 352.A N LEU 348.A O no hydrogen 3.118 N/A GLU 353.A N SER 349.A O no hydrogen 2.964 N/A ARG 354.A N GLY 350.A O no hydrogen 3.147 N/A ARG 354.A NH2 HIS 222.A O no hydrogen 2.884 N/A ASP 355.A N GLY 350.A O no hydrogen 3.248 N/A ASP 359.A N ILE 356.A O no hydrogen 2.986 N/A SER 360.A N ASP 359.A OD1 no hydrogen 2.345 N/A LYS 367.A N ASP 363.A O no hydrogen 3.459 N/A LYS 367.A NZ ASP 359.A OD2 no hydrogen 2.195 N/A VAL 368.A N ILE 364.A O no hydrogen 3.107 N/A GLN 369.A N LYS 365.A O no hydrogen 3.106 N/A ASP 370.A N GLN 366.A O no hydrogen 3.485 N/A LYS 371.A N LYS 367.A O no hydrogen 2.908 N/A TYR 372.A N VAL 368.A O no hydrogen 3.070 N/A ARG 373.A N GLN 369.A O no hydrogen 2.877 N/A TYR 374.A N ASP 370.A O no hydrogen 3.049 N/A CYS 375.A N LYS 371.A O no hydrogen 3.196 N/A CYS 375.A SG THR 345.A OG1 no hydrogen 3.512 N/A GLU 376.A N TYR 372.A O no hydrogen 3.033 N/A SER 377.A N ARG 373.A O no hydrogen 2.816 N/A SER 377.A OG ARG 373.A O no hydrogen 3.306 N/A SER 377.A OG TYR 374.A O no hydrogen 2.876 N/A ARG 378.A N TYR 374.A O no hydrogen 2.859 N/A ARG 379.A N CYS 375.A O no hydrogen 3.137 N/A ARG 380.A N GLU 376.A O no hydrogen 3.117 N/A ARG 380.A NE GLU 376.A OE2 no hydrogen 2.986 N/A VAL 381.A N SER 377.A O no hydrogen 3.277 N/A LEU 382.A N ARG 378.A O no hydrogen 3.083 N/A LEU 383.A N ARG 379.A O no hydrogen 3.302 N/A GLN 384.A N ARG 380.A O no hydrogen 2.675 N/A HIS 385.A N VAL 381.A O no hydrogen 3.022 N/A VAL 386.A N LEU 382.A O no hydrogen 3.264 N/A VAL 386.A N LEU 383.A O no hydrogen 3.158 N/A HIS 387.A N LEU 383.A O no hydrogen 2.952 N/A HIS 387.A NE2 ASP 185.A OD2 no hydrogen 2.657 N/A GLU 388.A N GLN 384.A O no hydrogen 2.966 N/A TYR 390.A N VAL 386.A O no hydrogen 2.633 N/A TYR 390.A OH PRO 186.A O no hydrogen 2.819 N/A GLU 391.A N HIS 387.A O no hydrogen 3.207 N/A GLU 391.A N GLU 388.A O no hydrogen 3.367 N/A LYS 392.A N GLY 389.A O no hydrogen 3.020 N/A