Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ig1_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A NZ TYR 119.A OH no hydrogen 3.110 N/A LYS 7.A N ARG 77.A O no hydrogen 2.954 N/A LYS 7.A NZ LYS 76.A O no hydrogen 3.198 N/A GLY 12.A N ASP 11.A OD1 no hydrogen 2.576 N/A VAL 15.A N ASN 51.A O no hydrogen 2.985 N/A GLN 17.A NE2 TRP 18.A O no hydrogen 2.742 N/A GLN 17.A NE2 VAL 54.A O no hydrogen 3.071 N/A LYS 24.A N THR 21.A OG1 no hydrogen 3.423 N/A ILE 25.A N THR 21.A O no hydrogen 3.135 N/A LYS 26.A N GLU 22.A O no hydrogen 3.043 N/A ALA 27.A N GLU 23.A O no hydrogen 3.268 N/A LEU 28.A N LYS 24.A O no hydrogen 3.077 N/A VAL 29.A N ILE 25.A O no hydrogen 3.071 N/A VAL 29.A N LYS 26.A O no hydrogen 3.023 N/A GLU 30.A N LYS 26.A O no hydrogen 3.061 N/A ILE 31.A N ALA 27.A O no hydrogen 3.040 N/A CYS 32.A N LEU 28.A O no hydrogen 3.006 N/A CYS 32.A SG LEU 28.A O no hydrogen 3.076 N/A THR 33.A N VAL 29.A O no hydrogen 3.064 N/A THR 33.A N GLU 30.A O no hydrogen 2.889 N/A THR 33.A OG1 VAL 29.A O no hydrogen 2.713 N/A GLU 34.A N GLU 30.A O no hydrogen 3.135 N/A MET 35.A N ILE 31.A O no hydrogen 3.111 N/A GLU 36.A N CYS 32.A O no hydrogen 2.957 N/A LYS 37.A N THR 33.A O no hydrogen 3.147 N/A GLU 38.A N GLU 34.A O no hydrogen 2.876 N/A GLY 39.A N GLU 36.A O no hydrogen 3.236 N/A LYS 40.A N MET 35.A O no hydrogen 2.928 N/A LYS 40.A NZ GLU 38.A OE1 no hydrogen 3.322 N/A SER 42.A N GLN 137.A O no hydrogen 2.989 N/A ILE 44.A N ARG 135.A O no hydrogen 3.012 N/A GLU 47.A N GLU 47.A OE2 no hydrogen 2.505 N/A ASN 48.A ND2 LYS 118.A O no hydrogen 3.026 N/A ASN 48.A ND2 GLN 137.A OE1 no hydrogen 3.347 N/A TYR 50.A N ASN 48.A OD1 no hydrogen 2.996 N/A TYR 50.A OH ASP 11.A OD1 no hydrogen 2.754 N/A ASN 51.A N PRO 13.A O no hydrogen 2.778 N/A ASN 51.A ND2 VAL 15.A O no hydrogen 3.030 N/A THR 52.A N ALA 121.A O no hydrogen 2.966 N/A PHE 55.A N LEU 68.A O no hydrogen 3.074 N/A ILE 57.A N ARG 66.A O no hydrogen 3.161 N/A LYS 59.A NZ PHE 208.A O no hydrogen 3.076 N/A LYS 60.A NZ GLN 388.A OE1 no hydrogen 3.172 N/A ARG 66.A N ILE 57.A O no hydrogen 2.738 N/A ARG 66.A NH2 ASP 177.A OD2 no hydrogen 3.047 N/A LYS 67.A NZ TYR 138.A OH no hydrogen 2.672 N/A LEU 68.A N PHE 55.A O no hydrogen 3.010 N/A ASP 70.A N PRO 53.A O no hydrogen 3.417 N/A ARG 72.A NE ASP 70.A OD1 no hydrogen 2.790 N/A ASN 75.A N PHE 71.A O no hydrogen 2.726 N/A LYS 76.A N ARG 72.A O no hydrogen 3.312 N/A LYS 76.A NZ GLU 73.A OE2 no hydrogen 2.426 N/A ARG 77.A N LEU 74.A O no hydrogen 3.302 N/A ARG 77.A NE GLU 73.A OE2 no hydrogen 3.495 N/A THR 78.A N ASN 75.A O no hydrogen 3.244 N/A THR 78.A OG1 LEU 74.A O no hydrogen 2.645 N/A GLN 79.A N LYS 5.A O no hydrogen 3.102 N/A HIS 88.A NE2 VAL 362.A O no hydrogen 2.521 N/A LEU 92.A N PRO 89.A O no hydrogen 2.897 N/A LYS 93.A NZ ALA 90.A O no hydrogen 3.033 N/A LYS 94.A N GLY 91.A O no hydrogen 2.937 N/A LYS 95.A N LEU 92.A O no hydrogen 3.187 N/A LYS 95.A NZ ASP 184.A OD2 no hydrogen 2.752 N/A SER 97.A N SER 183.A O no hydrogen 3.273 N/A SER 97.A OG LYS 96.A O no hydrogen 3.048 N/A SER 97.A OG HIS 216.A ND1 no hydrogen 3.256 N/A VAL 98.A N LEU 215.A O no hydrogen 3.218 N/A THR 99.A N VAL 181.A O no hydrogen 2.713 N/A THR 99.A OG1 HIS 190.A NE2 no hydrogen 2.548 N/A VAL 100.A N TYR 213.A O no hydrogen 2.915 N/A LEU 101.A N LEU 179.A O no hydrogen 2.993 N/A VAL 103.A N ASP 177.A O no hydrogen 3.291 N/A GLY 104.A N ASP 177.A O no hydrogen 3.262 N/A ALA 106.A N VAL 103.A O no hydrogen 2.622 N/A TYR 107.A N GLY 104.A O no hydrogen 2.845 N/A TYR 107.A OH MET 176.A O no hydrogen 2.276 N/A PHE 108.A N ASP 105.A O no hydrogen 3.359 N/A SER 109.A N ALA 106.A O no hydrogen 3.377 N/A SER 109.A OG ALA 106.A O no hydrogen 2.707 N/A VAL 110.A N TYR 107.A O no hydrogen 3.306 N/A LEU 112.A N ASN 139.A O no hydrogen 3.011 N/A GLU 114.A N GLU 114.A OE1 no hydrogen 2.669 N/A PHE 116.A N ASP 113.A O no hydrogen 2.675 N/A ARG 117.A N GLU 114.A O no hydrogen 3.236 N/A ARG 117.A NE LEU 112.A O no hydrogen 2.958 N/A ARG 117.A NH2 LEU 112.A O no hydrogen 3.155 N/A THR 120.A N ARG 117.A O no hydrogen 2.840 N/A THR 120.A OG1 ARG 117.A O no hydrogen 2.284 N/A ALA 121.A N LYS 118.A O no hydrogen 3.258 N/A PHE 122.A N TYR 136.A O no hydrogen 2.946 N/A ILE 124.A N ILE 134.A O no hydrogen 2.823 N/A SER 126.A OG THR 131.A O no hydrogen 2.330 N/A ASN 129.A N SER 126.A O no hydrogen 3.119 N/A GLU 130.A N ILE 127.A O no hydrogen 3.319 N/A THR 131.A OG1 PRO 132.A O no hydrogen 2.653 N/A ILE 134.A N ILE 124.A O no hydrogen 3.241 N/A ARG 135.A NH2 ASN 48.A OD1 no hydrogen 3.348 N/A TYR 136.A N PHE 122.A O no hydrogen 3.069 N/A GLN 137.A N SER 42.A O no hydrogen 3.121 N/A TYR 138.A N THR 120.A OG1 no hydrogen 3.088 N/A ASN 139.A N LYS 40.A O no hydrogen 2.964 N/A ASN 139.A ND2 GLY 39.A O no hydrogen 3.402 N/A ASN 139.A ND2 SER 42.A OG no hydrogen 2.789 N/A LEU 141.A N VAL 110.A O no hydrogen 2.970 N/A GLY 144.A N ASP 177.A OD1 no hydrogen 2.920 N/A GLY 144.A N ASP 177.A OD2 no hydrogen 2.999 N/A TRP 145.A NE1 THR 78.A OG1 no hydrogen 3.166 N/A LYS 146.A N ASN 75.A OD1 no hydrogen 3.060 N/A LYS 146.A NZ ASN 75.A O no hydrogen 3.256 N/A LYS 146.A NZ THR 78.A O no hydrogen 2.874 N/A LYS 146.A NZ ASP 80.A OD1 no hydrogen 2.901 N/A SER 148.A OG PRO 142.A O no hydrogen 2.287 N/A ILE 151.A N GLY 147.A O no hydrogen 3.314 N/A ILE 151.A N SER 148.A O no hydrogen 2.953 N/A PHE 152.A N SER 148.A O no hydrogen 3.045 N/A MET 156.A N PHE 152.A O no hydrogen 3.013 N/A THR 157.A N GLN 153.A O no hydrogen 3.004 N/A THR 157.A N SER 154.A O no hydrogen 3.268 N/A THR 157.A OG1 GLN 153.A O no hydrogen 2.825 N/A LYS 158.A N SER 154.A O no hydrogen 3.156 N/A ILE 159.A N SER 155.A O no hydrogen 3.347 N/A LEU 160.A N MET 156.A O no hydrogen 3.263 N/A LEU 160.A N THR 157.A O no hydrogen 2.960 N/A GLU 161.A N THR 157.A O no hydrogen 2.891 N/A LYS 164.A N LEU 160.A O no hydrogen 2.780 N/A LYS 165.A N GLU 161.A O no hydrogen 2.840 N/A GLN 166.A N PRO 162.A O no hydrogen 3.110 N/A ASN 167.A N PHE 163.A O no hydrogen 2.663 N/A ASN 167.A ND2 PHE 163.A O no hydrogen 2.956 N/A VAL 171.A N GLY 182.A O no hydrogen 2.831 N/A TYR 173.A N TYR 180.A O no hydrogen 2.963 N/A TYR 173.A OH GLY 365.A O no hydrogen 3.130 N/A TYR 175.A N ASP 178.A O no hydrogen 2.918 N/A ASP 178.A N TYR 175.A O no hydrogen 2.658 N/A LEU 179.A N LEU 101.A O no hydrogen 2.891 N/A TYR 180.A N TYR 173.A O no hydrogen 2.647 N/A TYR 180.A OH ASP 178.A OD2 no hydrogen 3.313 N/A VAL 181.A N THR 99.A O no hydrogen 2.737 N/A GLY 182.A N VAL 171.A O no hydrogen 2.878 N/A SER 183.A N SER 97.A O no hydrogen 2.877 N/A SER 183.A OG HIS 190.A ND1 no hydrogen 2.480 N/A HIS 190.A N GLU 186.A O no hydrogen 2.745 N/A HIS 190.A ND1 SER 183.A OG no hydrogen 2.480 N/A HIS 190.A NE2 THR 99.A OG1 no hydrogen 2.548 N/A ARG 191.A N ILE 187.A O no hydrogen 2.888 N/A THR 192.A N GLN 189.A O no hydrogen 2.882 N/A THR 192.A OG1 GLY 188.A O no hydrogen 2.816 N/A LYS 193.A N GLN 189.A O no hydrogen 2.785 N/A LYS 193.A NZ ASN 167.A OD1 no hydrogen 2.796 N/A ILE 194.A N HIS 190.A O no hydrogen 3.062 N/A GLU 195.A N ARG 191.A O no hydrogen 3.235 N/A GLU 196.A N THR 192.A O no hydrogen 2.675 N/A LEU 197.A N LYS 193.A O no hydrogen 2.563 N/A ARG 198.A N ILE 194.A O no hydrogen 2.462 N/A GLN 199.A N GLU 195.A O no hydrogen 2.776 N/A GLN 199.A NE2 GLU 195.A OE2 no hydrogen 3.518 N/A HIS 200.A N GLU 196.A O no hydrogen 3.081 N/A LEU 201.A N LEU 197.A O no hydrogen 3.275 N/A LEU 202.A N ARG 198.A O no hydrogen 3.108 N/A ARG 203.A N GLN 199.A O no hydrogen 2.821 N/A TRP 204.A N HIS 200.A O no hydrogen 2.734 N/A TYR 213.A N VAL 100.A O no hydrogen 3.409 N/A LEU 215.A N VAL 98.A O no hydrogen 2.683 N/A HIS 216.A ND1 LYS 96.A O no hydrogen 3.117 N/A ASP 218.A N LYS 95.A O no hydrogen 3.291 N/A LYS 219.A N HIS 216.A O no hydrogen 3.130 N/A TRP 220.A N PRO 217.A O no hydrogen 2.828 N/A GLN 223.A N THR 332.A O no hydrogen 2.824 N/A GLN 223.A NE2 PRO 224.A O no hydrogen 2.871 N/A THR 234.A N ASP 237.A OD2 no hydrogen 3.061 N/A THR 234.A OG1 ASP 237.A OD2 no hydrogen 2.937 N/A VAL 235.A N GLU 272.A O no hydrogen 2.983 N/A ASN 236.A N LEU 270.A O no hydrogen 3.065 N/A ASP 237.A N THR 234.A OG1 no hydrogen 3.020 N/A ILE 238.A N THR 234.A O no hydrogen 3.012 N/A GLN 239.A N VAL 235.A O no hydrogen 2.828 N/A LYS 240.A N ASN 236.A O no hydrogen 2.968 N/A LEU 241.A N ASP 237.A O no hydrogen 2.782 N/A VAL 242.A N ILE 238.A O no hydrogen 2.902 N/A GLY 243.A N GLN 239.A O no hydrogen 3.094 N/A LYS 244.A N LYS 240.A O no hydrogen 3.011 N/A LYS 244.A NZ TRP 407.A O no hydrogen 3.388 N/A LEU 245.A N LEU 241.A O no hydrogen 2.880 N/A ASN 246.A N VAL 242.A O no hydrogen 2.996 N/A TRP 247.A N GLY 243.A O no hydrogen 3.269 N/A TRP 247.A N LYS 244.A O no hydrogen 2.991 N/A ALA 248.A N LYS 244.A O no hydrogen 2.816 N/A SER 249.A OG ASN 246.A O no hydrogen 2.600 N/A GLN 250.A N TRP 247.A O no hydrogen 2.987 N/A GLN 250.A NE2 TRP 247.A O no hydrogen 3.668 N/A TYR 252.A N ALA 248.A O no hydrogen 3.027 N/A ILE 255.A N TYR 252.A O no hydrogen 3.089 N/A LYS 256.A N ASN 287.A OD1 no hydrogen 2.899 N/A ARG 258.A NE GLN 259.A OE1 no hydrogen 2.967 N/A ARG 258.A NH2 GLN 259.A OE1 no hydrogen 3.250 N/A GLN 259.A N GLU 283.A OE2 no hydrogen 2.870 N/A LEU 260.A N VAL 257.A O no hydrogen 3.110 N/A SER 261.A N VAL 257.A O no hydrogen 3.064 N/A SER 261.A OG VAL 257.A O no hydrogen 3.242 N/A LYS 262.A N ARG 258.A O no hydrogen 3.132 N/A LEU 263.A N LEU 260.A O no hydrogen 2.763 N/A LEU 264.A N SER 261.A O no hydrogen 2.579 N/A LYS 268.A NZ ARG 265.A O no hydrogen 3.054 N/A GLU 272.A N ALA 269.A O no hydrogen 2.927 N/A ILE 274.A N TRP 233.A O no hydrogen 3.095 N/A ALA 280.A N THR 277.A OG1 no hydrogen 3.091 N/A GLU 281.A N THR 277.A O no hydrogen 2.735 N/A LEU 282.A N GLU 278.A O no hydrogen 2.977 N/A GLU 283.A N GLU 279.A O no hydrogen 3.062 N/A LEU 284.A N ALA 280.A O no hydrogen 2.854 N/A ALA 285.A N GLU 281.A O no hydrogen 2.908 N/A GLU 286.A N LEU 282.A O no hydrogen 2.758 N/A ASN 287.A N GLU 283.A O no hydrogen 2.970 N/A ASN 287.A ND2 LYS 256.A O no hydrogen 2.664 N/A ARG 288.A N LEU 284.A O no hydrogen 2.887 N/A ARG 288.A NH1 LEU 227.A O no hydrogen 2.775 N/A ARG 288.A NH1 PRO 228.A O no hydrogen 3.266 N/A ARG 288.A NH2 PRO 228.A O no hydrogen 2.765 N/A GLU 289.A N ALA 285.A O no hydrogen 2.960 N/A ILE 290.A N GLU 286.A O no hydrogen 3.223 N/A LEU 291.A N ASN 287.A O no hydrogen 2.986 N/A LYS 292.A N GLU 289.A O no hydrogen 2.844 N/A GLU 293.A N ILE 290.A O no hydrogen 3.476 N/A ASP 301.A N GLN 324.A OE1 no hydrogen 2.805 N/A SER 303.A N ASP 301.A OD1 no hydrogen 3.155 N/A SER 303.A OG ASP 301.A OD1 no hydrogen 3.253 N/A LYS 304.A N ASP 301.A O no hydrogen 3.182 N/A LYS 304.A NZ GLU 325.A OE2 no hydrogen 3.383 N/A ILE 307.A N TYR 323.A O no hydrogen 2.897 N/A ALA 308.A N LYS 369.A O no hydrogen 2.942 N/A GLU 309.A N GLN 321.A O no hydrogen 3.143 N/A GLN 311.A N THR 319.A O no hydrogen 2.946 N/A GLN 311.A NE2 THR 319.A OG1 no hydrogen 3.155 N/A GLN 311.A NE2 GLN 321.A OE1 no hydrogen 2.584 N/A LYS 312.A NZ ASP 345.A OD1 no hydrogen 2.890 N/A GLN 313.A N GLN 317.A O no hydrogen 3.040 N/A GLN 313.A NE2 THR 319.A OG1 no hydrogen 3.162 N/A GLN 313.A NE2 LYS 405.A O no hydrogen 3.255 N/A GLN 317.A N GLY 314.A O no hydrogen 3.234 N/A TRP 318.A N TYR 335.A O no hydrogen 2.972 N/A TRP 318.A NE1 GLN 348.A OE1 no hydrogen 3.332 N/A THR 319.A N GLN 311.A O no hydrogen 3.349 N/A THR 319.A OG1 TYR 408.A O no hydrogen 3.544 N/A TYR 320.A N GLY 333.A O no hydrogen 2.930 N/A TYR 320.A OH GLU 359.A OE1 no hydrogen 2.954 N/A GLN 321.A N GLU 309.A O no hydrogen 3.151 N/A GLN 321.A NE2 GLN 311.A OE1 no hydrogen 3.444 N/A ILE 322.A N LYS 331.A O no hydrogen 2.811 N/A TYR 323.A N ILE 307.A O no hydrogen 2.936 N/A GLN 324.A NE2 ASP 301.A O no hydrogen 2.625 N/A GLN 324.A NE2 LYS 304.A O no hydrogen 3.139 N/A GLN 324.A NE2 ASP 305.A O no hydrogen 3.619 N/A LYS 328.A N GLU 325.A O no hydrogen 3.009 N/A LEU 330.A N ILE 322.A O no hydrogen 2.867 N/A LYS 331.A N ILE 322.A O no hydrogen 3.371 N/A LYS 331.A NZ THR 221.A O no hydrogen 3.555 N/A GLY 333.A N TYR 320.A O no hydrogen 3.113 N/A LYS 334.A NZ GLN 317.A OE1 no hydrogen 2.803 N/A GLY 340.A N MET 338.A O no hydrogen 2.983 N/A ASN 344.A N HIS 342.A ND1 no hydrogen 3.416 N/A ASN 344.A ND2 TYR 386.A OH no hydrogen 2.699 N/A LYS 347.A N ASN 344.A O no hydrogen 2.769 N/A LYS 347.A N ASN 344.A OD1 no hydrogen 2.685 N/A GLN 348.A N ASN 344.A O no hydrogen 3.011 N/A LEU 349.A N ASP 345.A O no hydrogen 2.969 N/A THR 350.A N VAL 346.A O no hydrogen 3.071 N/A THR 350.A OG1 VAL 346.A O no hydrogen 2.499 N/A GLU 351.A N LYS 347.A O no hydrogen 2.886 N/A ALA 352.A N GLN 348.A O no hydrogen 2.851 N/A VAL 353.A N LEU 349.A O no hydrogen 2.893 N/A GLN 354.A N THR 350.A O no hydrogen 3.306 N/A GLN 354.A NE2 THR 350.A O no hydrogen 3.289 N/A GLN 354.A NE2 TYR 386.A O no hydrogen 3.485 N/A LYS 355.A N GLU 351.A O no hydrogen 3.034 N/A ILE 356.A N ALA 352.A O no hydrogen 3.025 N/A THR 357.A N VAL 353.A O no hydrogen 3.027 N/A THR 357.A OG1 VAL 353.A O no hydrogen 2.519 N/A THR 358.A N GLN 354.A O no hydrogen 2.842 N/A THR 358.A OG1 GLN 354.A O no hydrogen 3.193 N/A GLU 359.A N LYS 355.A O no hydrogen 2.930 N/A SER 360.A N ILE 356.A O no hydrogen 2.956 N/A SER 360.A OG LYS 366.A O no hydrogen 2.508 N/A ILE 361.A N THR 357.A O no hydrogen 3.025 N/A VAL 362.A N THR 358.A O no hydrogen 3.062 N/A ILE 363.A N GLU 359.A O no hydrogen 3.015 N/A TRP 364.A N SER 360.A O no hydrogen 2.916 N/A GLY 365.A N ILE 361.A O no hydrogen 2.798 N/A LYS 366.A NZ PRO 302.A O no hydrogen 3.091 N/A LYS 366.A NZ LYS 304.A O no hydrogen 2.492 N/A LYS 369.A N LEU 306.A O no hydrogen 2.797 N/A PHE 370.A N GLU 394.A O no hydrogen 2.609 N/A LYS 371.A N ALA 308.A O no hydrogen 2.919 N/A LEU 372.A N GLU 396.A O no hydrogen 2.783 N/A ILE 374.A N LEU 372.A O no hydrogen 2.714 N/A THR 378.A N GLN 375.A O no hydrogen 2.604 N/A THR 378.A OG1 GLN 375.A O no hydrogen 3.375 N/A TRP 379.A N GLN 375.A O no hydrogen 3.169 N/A GLU 380.A N LYS 376.A O no hydrogen 2.905 N/A THR 381.A OG1 GLU 377.A O no hydrogen 2.662 N/A TRP 382.A N TRP 379.A O no hydrogen 3.124 N/A TRP 383.A N TRP 379.A O no hydrogen 3.146 N/A GLU 385.A N TRP 382.A O no hydrogen 3.066 N/A TYR 386.A N TRP 383.A O no hydrogen 2.979 N/A TRP 387.A NE1 TRP 391.A O no hydrogen 2.848 N/A GLN 388.A N GLN 354.A OE1 no hydrogen 2.895 N/A GLN 388.A NE2 LYS 59.A O no hydrogen 2.876 N/A THR 390.A OG1 ASP 178.A OD1 no hydrogen 3.421 N/A GLU 396.A N PHE 370.A O no hydrogen 2.526 N/A VAL 398.A N LEU 372.A O no hydrogen 2.942 N/A LYS 405.A NZ LYS 312.A O no hydrogen 2.924 N/A LEU 406.A N LEU 403.A O no hydrogen 2.931 N/A TRP 407.A N VAL 404.A O no hydrogen 3.033 N/A TYR 408.A N VAL 404.A O no hydrogen 2.985 N/A GLN 409.A NE2 GLN 313.A OE1 no hydrogen 3.515 N/A GLN 409.A NE2 LYS 405.A O no hydrogen 2.947 N/A