Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1hqe_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N SER 3.A O no hydrogen 2.578 N/A LYS 13.A N ARG 83.A O no hydrogen 2.792 N/A LYS 13.A NZ LYS 82.A O no hydrogen 3.113 N/A MET 16.A N LYS 13.A O no hydrogen 3.030 N/A GLN 23.A NE2 TRP 24.A O no hydrogen 2.844 N/A GLN 23.A NE2 VAL 60.A O no hydrogen 3.130 N/A LYS 30.A NZ ALA 62.A O no hydrogen 3.079 N/A ILE 31.A N THR 27.A O no hydrogen 2.855 N/A LYS 32.A N GLU 28.A O no hydrogen 2.828 N/A LYS 32.A NZ GLU 28.A OE2 no hydrogen 2.890 N/A ALA 33.A N GLU 29.A O no hydrogen 3.166 N/A LEU 34.A N LYS 30.A O no hydrogen 3.054 N/A VAL 35.A N ILE 31.A O no hydrogen 2.823 N/A GLU 36.A N LYS 32.A O no hydrogen 3.249 N/A ILE 37.A N ALA 33.A O no hydrogen 2.941 N/A CYS 38.A N LEU 34.A O no hydrogen 3.014 N/A CYS 38.A SG LEU 34.A O no hydrogen 3.167 N/A THR 39.A N VAL 35.A O no hydrogen 2.985 N/A THR 39.A OG1 VAL 35.A O no hydrogen 3.239 N/A THR 39.A OG1 GLU 36.A O no hydrogen 2.745 N/A GLU 40.A N GLU 36.A O no hydrogen 3.263 N/A MET 41.A N ILE 37.A O no hydrogen 3.075 N/A GLU 42.A N CYS 38.A O no hydrogen 2.482 N/A LYS 43.A N THR 39.A O no hydrogen 2.841 N/A LYS 43.A NZ GLU 40.A OE2 no hydrogen 3.472 N/A GLU 44.A N GLU 40.A O no hydrogen 2.679 N/A GLY 45.A N GLU 42.A O no hydrogen 2.981 N/A LYS 46.A N MET 41.A O no hydrogen 2.932 N/A LYS 46.A NZ GLU 44.A OE2 no hydrogen 3.188 N/A ILE 47.A N MET 41.A O no hydrogen 3.245 N/A SER 48.A N GLN 145.A O no hydrogen 2.753 N/A LYS 49.A NZ GLU 42.A OE1 no hydrogen 3.258 N/A LYS 49.A NZ TYR 144.A OH no hydrogen 2.767 N/A ILE 50.A N ARG 143.A O no hydrogen 3.307 N/A GLY 51.A N GLU 53.A OE2 no hydrogen 3.095 N/A TYR 56.A OH ASP 17.A OD1 no hydrogen 3.130 N/A ASN 57.A N PRO 19.A O no hydrogen 2.907 N/A VAL 60.A N GLN 23.A OE1 no hydrogen 2.725 N/A PHE 61.A N LEU 74.A O no hydrogen 2.886 N/A ILE 63.A N ARG 72.A O no hydrogen 2.778 N/A ARG 72.A NE ASP 110.A OD2 no hydrogen 3.271 N/A ARG 72.A NH1 LYS 73.A O no hydrogen 2.619 N/A ARG 72.A NH2 ASP 185.A OD2 no hydrogen 3.361 N/A LYS 73.A NZ TYR 146.A OH no hydrogen 2.966 N/A LEU 74.A N PHE 61.A O no hydrogen 2.535 N/A ASP 76.A N PRO 59.A O no hydrogen 2.850 N/A ARG 78.A NE ASP 76.A OD1 no hydrogen 2.861 N/A ARG 78.A NE ASP 76.A OD2 no hydrogen 3.523 N/A ARG 78.A NH1 PRO 400.A O no hydrogen 2.512 N/A ARG 78.A NH2 ASP 76.A OD1 no hydrogen 3.557 N/A ASN 81.A N PHE 77.A O no hydrogen 2.643 N/A ASN 81.A ND2 GLY 152.A O no hydrogen 3.339 N/A LYS 82.A N ARG 78.A O no hydrogen 2.996 N/A LYS 82.A NZ GLU 79.A OE2 no hydrogen 2.777 N/A ARG 83.A N GLU 79.A O no hydrogen 2.940 N/A ARG 83.A NE ASP 17.A O no hydrogen 3.110 N/A ARG 83.A NH1 GLU 79.A OE1 no hydrogen 2.947 N/A THR 84.A N LEU 80.A O no hydrogen 2.728 N/A THR 84.A N ASN 81.A O no hydrogen 3.383 N/A THR 84.A OG1 LEU 80.A O no hydrogen 3.318 N/A GLN 85.A N LYS 11.A O no hydrogen 3.459 N/A GLN 85.A NE2 ASP 86.A O no hydrogen 2.834 N/A ALA 98.A N HIS 96.A O no hydrogen 2.968 N/A LEU 100.A N PRO 97.A O no hydrogen 2.801 N/A LYS 101.A NZ PRO 97.A O no hydrogen 2.976 N/A LYS 101.A NZ VAL 369.A O no hydrogen 3.248 N/A LYS 102.A N GLY 99.A O no hydrogen 2.867 N/A ASN 103.A ND2 LEU 100.A O no hydrogen 2.945 N/A SER 105.A N SER 191.A O no hydrogen 3.253 N/A SER 105.A OG HIS 223.A ND1 no hydrogen 3.061 N/A VAL 106.A N LEU 222.A O no hydrogen 2.609 N/A THR 107.A N VAL 189.A O no hydrogen 2.468 N/A LEU 109.A N LEU 187.A O no hydrogen 3.091 N/A VAL 111.A N ASP 185.A O no hydrogen 2.881 N/A GLY 112.A N ASP 110.A OD1 no hydrogen 2.834 N/A ALA 114.A N VAL 111.A O no hydrogen 2.981 N/A TYR 115.A N GLY 112.A O no hydrogen 2.976 N/A TYR 115.A OH MET 184.A O no hydrogen 2.550 N/A PHE 116.A N ASP 113.A O no hydrogen 3.244 N/A SER 117.A OG ALA 114.A O no hydrogen 3.082 N/A LEU 120.A N ASN 147.A O no hydrogen 2.827 N/A ASP 123.A N ASP 121.A OD1 no hydrogen 2.835 N/A ARG 125.A N ASP 121.A O no hydrogen 3.120 N/A ARG 125.A NE LEU 120.A O no hydrogen 2.532 N/A ARG 125.A NH1 ASN 147.A OD1 no hydrogen 3.312 N/A ARG 125.A NH2 LEU 120.A O no hydrogen 2.966 N/A LYS 126.A NZ TYR 127.A OH no hydrogen 3.306 N/A TYR 127.A N PHE 124.A O no hydrogen 2.955 N/A THR 128.A N ARG 125.A O no hydrogen 3.102 N/A THR 128.A OG1 ARG 125.A O no hydrogen 2.428 N/A ALA 129.A N LYS 126.A O no hydrogen 2.974 N/A PHE 130.A N TYR 144.A O no hydrogen 2.915 N/A ILE 132.A N ILE 142.A O no hydrogen 2.850 N/A SER 134.A OG THR 139.A O no hydrogen 2.520 N/A ASN 137.A N SER 134.A O no hydrogen 2.892 N/A GLU 138.A N ILE 135.A O no hydrogen 3.320 N/A ILE 142.A N ILE 132.A O no hydrogen 3.013 N/A ARG 143.A NE THR 131.A OG1 no hydrogen 2.886 N/A ARG 143.A NH1 TYR 56.A O no hydrogen 3.186 N/A ARG 143.A NH2 TYR 56.A O no hydrogen 2.597 N/A ARG 143.A NH2 THR 131.A OG1 no hydrogen 3.293 N/A TYR 144.A N PHE 130.A O no hydrogen 3.011 N/A GLN 145.A N SER 48.A O no hydrogen 2.966 N/A TYR 146.A N THR 128.A OG1 no hydrogen 2.946 N/A ASN 147.A N LYS 46.A O no hydrogen 2.612 N/A ASN 147.A ND2 GLY 45.A O no hydrogen 3.198 N/A ASN 147.A ND2 SER 48.A OG no hydrogen 2.775 N/A LEU 149.A N VAL 118.A O no hydrogen 2.855 N/A LYS 154.A NZ ASN 81.A O no hydrogen 3.436 N/A LYS 154.A NZ THR 84.A O no hydrogen 2.903 N/A LYS 154.A NZ ASP 86.A OD1 no hydrogen 3.150 N/A SER 156.A OG PRO 150.A O no hydrogen 2.952 N/A SER 156.A OG TRP 153.A O no hydrogen 3.077 N/A ALA 158.A N GLY 155.A O no hydrogen 3.192 N/A ILE 159.A N GLY 155.A O no hydrogen 3.137 N/A PHE 160.A N SER 156.A O no hydrogen 2.976 N/A GLN 161.A N ALA 158.A O no hydrogen 2.914 N/A SER 162.A OG ILE 159.A O no hydrogen 2.856 N/A MET 164.A N PHE 160.A O no hydrogen 2.769 N/A THR 165.A N GLN 161.A O no hydrogen 3.088 N/A THR 165.A OG1 GLN 161.A O no hydrogen 2.907 N/A THR 165.A OG1 SER 162.A O no hydrogen 2.500 N/A LYS 166.A N SER 162.A O no hydrogen 3.144 N/A ILE 167.A N SER 163.A O no hydrogen 2.970 N/A LEU 168.A N MET 164.A O no hydrogen 2.765 N/A GLU 169.A N THR 165.A O no hydrogen 2.726 N/A LYS 172.A N LEU 168.A O no hydrogen 2.919 N/A LYS 173.A N PRO 170.A O no hydrogen 2.948 N/A GLN 174.A N PRO 170.A O no hydrogen 2.778 N/A ASN 175.A N PHE 171.A O no hydrogen 2.875 N/A VAL 179.A N GLY 190.A O no hydrogen 3.096 N/A TYR 181.A N TYR 188.A O no hydrogen 2.801 N/A GLN 182.A NE2 MET 184.A O no hydrogen 3.385 N/A TYR 183.A N ASP 186.A O no hydrogen 2.704 N/A ASP 186.A N TYR 183.A O no hydrogen 2.870 N/A LEU 187.A N LEU 109.A O no hydrogen 3.018 N/A TYR 188.A N TYR 181.A O no hydrogen 2.555 N/A VAL 189.A N THR 107.A O no hydrogen 2.673 N/A GLY 190.A N VAL 179.A O no hydrogen 2.832 N/A SER 191.A N SER 105.A O no hydrogen 2.894 N/A THR 200.A OG1 GLY 196.A O no hydrogen 3.184 N/A LYS 201.A N GLN 197.A O no hydrogen 2.784 N/A LYS 201.A NZ ASN 175.A OD1 no hydrogen 2.643 N/A LYS 201.A NZ GLU 204.A OE1 no hydrogen 3.388 N/A ILE 202.A N HIS 198.A O no hydrogen 3.060 N/A GLU 203.A N ARG 199.A O no hydrogen 3.279 N/A GLU 204.A N THR 200.A O no hydrogen 2.721 N/A LEU 205.A N LYS 201.A O no hydrogen 3.295 N/A ARG 206.A N ILE 202.A O no hydrogen 2.785 N/A ARG 206.A NH2 THR 216.A O no hydrogen 2.826 N/A GLN 207.A N GLU 203.A O no hydrogen 3.059 N/A GLN 207.A NE2 GLU 203.A OE2 no hydrogen 3.246 N/A HIS 208.A N GLU 204.A O no hydrogen 2.941 N/A LEU 209.A N LEU 205.A O no hydrogen 2.883 N/A LEU 210.A N ARG 206.A O no hydrogen 2.736 N/A ARG 211.A N GLN 207.A O no hydrogen 2.721 N/A TRP 212.A N HIS 208.A O no hydrogen 2.944 N/A GLY 213.A N LEU 210.A O no hydrogen 3.456 N/A LEU 214.A N LEU 209.A O no hydrogen 2.569 N/A THR 216.A N LEU 214.A O no hydrogen 3.054 N/A THR 216.A OG1 ASP 110.A O no hydrogen 3.531 N/A GLY 219.A N VAL 108.A O no hydrogen 2.908 N/A LEU 222.A N VAL 106.A O no hydrogen 2.825 N/A HIS 223.A ND1 LYS 104.A O no hydrogen 2.822 N/A ASP 225.A N HIS 223.A O no hydrogen 2.819 N/A THR 228.A OG1 LYS 226.A O no hydrogen 3.472 N/A GLN 230.A N THR 339.A O no hydrogen 2.758 N/A LYS 237.A NZ LYS 237.A O no hydrogen 2.809 N/A SER 239.A N LYS 237.A O no hydrogen 2.790 N/A VAL 242.A N LEU 277.A O no hydrogen 3.172 N/A ASP 244.A N THR 241.A OG1 no hydrogen 3.285 N/A ILE 245.A N THR 241.A O no hydrogen 3.447 N/A GLN 246.A N ASN 243.A O no hydrogen 2.840 N/A LYS 247.A N ASN 243.A O no hydrogen 2.598 N/A VAL 249.A N ILE 245.A O no hydrogen 2.992 N/A GLY 250.A N GLN 246.A O no hydrogen 2.940 N/A LYS 251.A NZ VAL 233.A O no hydrogen 2.831 N/A LYS 251.A NZ TRP 414.A O no hydrogen 3.566 N/A LEU 252.A N LEU 248.A O no hydrogen 2.965 N/A ASN 253.A N GLY 250.A O no hydrogen 3.006 N/A TRP 254.A N GLY 250.A O no hydrogen 3.347 N/A TRP 254.A N LYS 251.A O no hydrogen 3.202 N/A ALA 255.A N LYS 251.A O no hydrogen 3.073 N/A SER 256.A OG LEU 252.A O no hydrogen 3.089 N/A GLN 257.A N TRP 254.A O no hydrogen 2.986 N/A ILE 258.A N ALA 255.A O no hydrogen 3.283 N/A TYR 259.A N ALA 255.A O no hydrogen 3.171 N/A LEU 267.A N GLU 290.A OE1 no hydrogen 3.194 N/A SER 268.A N VAL 264.A O no hydrogen 3.138 N/A SER 268.A N ARG 265.A O no hydrogen 2.777 N/A LEU 271.A N SER 268.A O no hydrogen 3.380 N/A GLU 279.A N LEU 277.A O no hydrogen 2.733 N/A LEU 283.A N SER 239.A OG no hydrogen 3.043 N/A ALA 287.A N THR 284.A O no hydrogen 2.989 N/A GLU 290.A N ALA 287.A O no hydrogen 3.278 N/A LEU 291.A N GLU 288.A O no hydrogen 3.295 N/A ASN 294.A N GLU 290.A O no hydrogen 3.175 N/A ARG 295.A N LEU 291.A O no hydrogen 3.293 N/A ARG 295.A NH1 LEU 234.A O no hydrogen 3.193 N/A ARG 295.A NH2 PRO 235.A O no hydrogen 3.370 N/A ILE 297.A N GLU 293.A O no hydrogen 3.330 N/A ASP 308.A N GLN 331.A OE1 no hydrogen 3.359 N/A SER 310.A N ASP 308.A OD1 no hydrogen 2.985 N/A SER 310.A OG ASP 308.A OD1 no hydrogen 2.519 N/A LYS 311.A N ASP 308.A O no hydrogen 2.778 N/A ILE 314.A N TYR 330.A O no hydrogen 2.669 N/A ALA 315.A N LYS 376.A O no hydrogen 2.793 N/A GLU 316.A N GLN 328.A O no hydrogen 3.040 N/A GLN 318.A N THR 326.A O no hydrogen 2.827 N/A GLN 318.A NE2 GLN 328.A OE1 no hydrogen 2.463 N/A TRP 325.A NE1 GLN 355.A OE1 no hydrogen 2.833 N/A THR 326.A N GLN 318.A O no hydrogen 2.774 N/A THR 326.A OG1 GLN 318.A O no hydrogen 3.452 N/A THR 326.A OG1 GLN 318.A OE1 no hydrogen 2.990 N/A TYR 327.A N GLY 340.A O no hydrogen 3.206 N/A TYR 327.A OH GLU 366.A OE1 no hydrogen 3.132 N/A GLN 328.A N GLU 316.A O no hydrogen 3.018 N/A GLN 328.A NE2 GLN 318.A OE1 no hydrogen 2.334 N/A ILE 329.A N LYS 338.A O no hydrogen 2.870 N/A TYR 330.A N ILE 314.A O no hydrogen 2.937 N/A LYS 335.A N GLU 332.A O no hydrogen 2.938 N/A LEU 337.A N ILE 329.A O no hydrogen 2.783 N/A LYS 338.A N ILE 329.A O no hydrogen 3.410 N/A LYS 338.A NZ THR 228.A O no hydrogen 3.365 N/A LYS 338.A NZ GLU 366.A OE1 no hydrogen 3.456 N/A THR 339.A OG1 GLN 230.A O no hydrogen 3.228 N/A GLY 340.A N TYR 327.A O no hydrogen 3.011 N/A TYR 342.A N TRP 325.A O no hydrogen 2.634 N/A TYR 342.A OH GLU 358.A OE1 no hydrogen 3.001 N/A ALA 348.A N ARG 344.A O no hydrogen 3.314 N/A LYS 354.A N ASN 351.A OD1 no hydrogen 3.209 N/A GLN 355.A N ASN 351.A O no hydrogen 3.216 N/A GLN 355.A NE2 ASN 351.A O no hydrogen 2.851 N/A LEU 356.A N ASP 352.A O no hydrogen 2.783 N/A THR 357.A N VAL 353.A O no hydrogen 2.665 N/A THR 357.A OG1 VAL 353.A O no hydrogen 2.836 N/A GLU 358.A N LYS 354.A O no hydrogen 2.736 N/A ALA 359.A N GLN 355.A O no hydrogen 2.904 N/A VAL 360.A N LEU 356.A O no hydrogen 2.677 N/A GLN 361.A N THR 357.A O no hydrogen 3.096 N/A LYS 362.A N GLU 358.A O no hydrogen 2.945 N/A ILE 363.A N ALA 359.A O no hydrogen 2.833 N/A THR 364.A N VAL 360.A O no hydrogen 2.908 N/A THR 364.A OG1 VAL 360.A O no hydrogen 2.645 N/A THR 365.A N GLN 361.A O no hydrogen 2.852 N/A THR 365.A OG1 GLN 361.A O no hydrogen 3.540 N/A THR 365.A OG1 LYS 362.A O no hydrogen 2.845 N/A GLU 366.A N LYS 362.A O no hydrogen 3.004 N/A SER 367.A OG LYS 373.A O no hydrogen 2.890 N/A ILE 368.A N THR 364.A O no hydrogen 2.839 N/A VAL 369.A N THR 365.A O no hydrogen 2.940 N/A TRP 371.A N SER 367.A O no hydrogen 2.765 N/A GLY 372.A N SER 367.A O no hydrogen 3.310 N/A GLY 372.A N ILE 368.A O no hydrogen 2.544 N/A LYS 373.A NZ TYR 307.A OH no hydrogen 2.908 N/A LYS 373.A NZ LYS 311.A O no hydrogen 3.445 N/A LYS 376.A N LEU 313.A O no hydrogen 2.769 N/A PHE 377.A N GLU 401.A O no hydrogen 2.783 N/A LYS 378.A N ALA 315.A O no hydrogen 2.754 N/A LYS 378.A NZ GLU 403.A OE1 no hydrogen 2.892 N/A LEU 379.A N GLU 403.A O no hydrogen 2.825 N/A ILE 381.A N LEU 379.A O no hydrogen 2.553 N/A LYS 383.A NZ GLU 387.A OE2 no hydrogen 2.899 N/A THR 385.A N GLN 382.A O no hydrogen 2.749 N/A THR 385.A OG1 GLN 382.A O no hydrogen 3.269 N/A TRP 386.A N GLN 382.A O no hydrogen 3.136 N/A GLU 387.A N LYS 383.A O no hydrogen 3.022 N/A THR 388.A N THR 385.A O no hydrogen 3.204 N/A THR 388.A OG1 GLU 384.A O no hydrogen 3.077 N/A THR 388.A OG1 THR 385.A O no hydrogen 2.798 N/A TRP 389.A N TRP 386.A O no hydrogen 2.876 N/A TRP 390.A N TRP 386.A O no hydrogen 3.240 N/A GLU 392.A N TRP 389.A O no hydrogen 2.788 N/A TYR 393.A N TRP 390.A O no hydrogen 2.959 N/A TRP 394.A N THR 391.A O no hydrogen 3.157 N/A TRP 394.A NE1 TRP 398.A O no hydrogen 2.845 N/A THR 397.A OG1 ASP 186.A OD1 no hydrogen 2.712 N/A THR 397.A OG1 ASP 186.A OD2 no hydrogen 3.274 N/A GLU 403.A N PHE 377.A O no hydrogen 2.711 N/A VAL 405.A N LEU 379.A O no hydrogen 3.372 N/A LEU 410.A N PRO 408.A O no hydrogen 2.613 N/A LYS 412.A N PRO 409.A O no hydrogen 3.246 N/A