Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ptx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N THR 11.A O no hydrogen 2.751 N/A ASN 10.A ND2 ILE 7.A O no hydrogen 3.568 N/A THR 11.A N ASP 9.A OD2 no hydrogen 2.847 N/A THR 11.A OG1 ASP 9.A OD2 no hydrogen 2.782 N/A ILE 13.A N VAL 4.A O no hydrogen 3.196 N/A LYS 16.A NZ VAL 14.A O no hydrogen 2.976 N/A GLU 25.A N LYS 285.A O no hydrogen 2.822 N/A TYR 26.A OH GLN 259.A O no hydrogen 2.517 N/A TYR 30.A N PRO 27.A O no hydrogen 2.857 N/A TYR 30.A N ALA 28.A O no hydrogen 2.372 N/A PHE 31.A N ALA 28.A O no hydrogen 2.762 N/A LYS 33.A N TYR 30.A O no hydrogen 3.006 N/A SER 34.A N TYR 30.A O no hydrogen 3.355 N/A SER 34.A OG GLU 36.A O no hydrogen 2.840 N/A GLU 36.A N SER 34.A OG no hydrogen 2.980 N/A LEU 39.A N VAL 107.A O no hydrogen 3.241 N/A THR 43.A OG1 SER 70.A OG no hydrogen 2.824 N/A THR 44.A N ASN 42.A O no hydrogen 2.733 N/A LEU 50.A N SER 46.A O no hydrogen 3.337 N/A ARG 51.A N LEU 47.A O no hydrogen 2.698 N/A ARG 51.A NH1 ARG 125.A O no hydrogen 2.966 N/A ARG 51.A NH2 ASP 129.A OD2 no hydrogen 2.409 N/A GLY 52.A N ASP 49.A O no hydrogen 2.695 N/A TYR 53.A N ASP 49.A O no hydrogen 3.099 N/A TYR 53.A OH ASP 118.A O no hydrogen 2.469 N/A VAL 54.A N LEU 50.A O no hydrogen 3.147 N/A TYR 55.A N ARG 51.A O no hydrogen 3.176 N/A GLN 56.A N GLY 52.A O no hydrogen 3.170 N/A GLY 57.A N TYR 53.A O no hydrogen 3.216 N/A LEU 58.A N VAL 54.A O no hydrogen 2.929 N/A LYS 59.A N TYR 55.A O no hydrogen 3.362 N/A SER 60.A OG GLN 56.A O no hydrogen 3.127 N/A SER 60.A OG GLY 57.A O no hydrogen 3.297 N/A SER 60.A OG ASN 62.A OD1 no hydrogen 3.306 N/A ILE 66.A N SER 64.A OG no hydrogen 3.159 N/A HIS 67.A N SER 64.A O no hydrogen 2.878 N/A VAL 68.A N SER 64.A O no hydrogen 3.162 N/A ASN 69.A N ILE 65.A O no hydrogen 2.870 N/A SER 70.A N ILE 66.A O no hydrogen 3.252 N/A SER 70.A OG THR 43.A OG1 no hydrogen 2.824 N/A SER 70.A OG ILE 66.A O no hydrogen 3.325 N/A TYR 71.A N HIS 67.A O no hydrogen 2.708 N/A TYR 71.A OH ASP 129.A OD1 no hydrogen 2.352 N/A LEU 72.A N VAL 68.A O no hydrogen 2.778 N/A TYR 73.A N ASN 69.A O no hydrogen 3.025 N/A GLY 74.A N SER 70.A O no hydrogen 3.117 N/A ALA 75.A N TYR 71.A O no hydrogen 2.943 N/A LEU 76.A N LEU 72.A O no hydrogen 2.707 N/A LEU 83.A N ASP 99.A O no hydrogen 2.995 N/A TRP 87.A NE1 ASP 271.A O no hydrogen 2.949 N/A SER 88.A OG ASN 93.A OD1 no hydrogen 3.117 N/A SER 89.A N ILE 92.A O no hydrogen 2.892 N/A SER 89.A OG GLU 266.A OE1 no hydrogen 2.765 N/A PHE 90.A N GLU 266.A OE2 no hydrogen 3.099 N/A ILE 92.A N SER 89.A O no hydrogen 3.087 N/A ILE 94.A N TRP 87.A O no hydrogen 2.897 N/A GLY 95.A N TRP 87.A O no hydrogen 3.278 N/A LYS 96.A N ASP 99.A OD2 no hydrogen 3.385 N/A ASP 99.A N LYS 96.A O no hydrogen 2.913 N/A ILE 101.A N GLY 81.A O no hydrogen 3.005 N/A GLY 102.A N ASP 105.A OD2 no hydrogen 2.725 N/A ASP 105.A N GLY 102.A O no hydrogen 3.347 N/A SER 108.A OG LEU 109.A O no hydrogen 3.136 N/A LEU 109.A N LEU 39.A O no hydrogen 3.173 N/A SER 124.A OG GLN 56.A OE1 no hydrogen 3.386 N/A SER 124.A OG ASP 122.A O no hydrogen 3.281 N/A LYS 131.A NZ SER 127.A O no hydrogen 2.559 N/A TRP 132.A N ASP 129.A O no hydrogen 3.020 N/A TYR 136.A N TRP 132.A O no hydrogen 2.911 N/A LEU 137.A N LEU 133.A O no hydrogen 2.904 N/A LEU 138.A N PRO 134.A O no hydrogen 2.710 N/A GLY 139.A N LEU 135.A O no hydrogen 2.599 N/A LEU 140.A N LEU 137.A O no hydrogen 3.063 N/A TYR 141.A N LEU 138.A O no hydrogen 2.816 N/A TYR 141.A OH ASP 279.A OD2 no hydrogen 2.734 N/A ARG 142.A NH1 TYR 214.A O no hydrogen 2.635 N/A VAL 143.A N GLY 139.A O no hydrogen 3.283 N/A GLY 144.A N LEU 140.A O no hydrogen 3.069 N/A THR 146.A N VAL 143.A O no hydrogen 3.219 N/A THR 146.A OG1 GLU 150.A OE2 no hydrogen 2.683 N/A GLN 147.A N THR 146.A OG1 no hydrogen 2.700 N/A TYR 151.A N MET 148.A O no hydrogen 2.450 N/A LYS 153.A N PRO 149.A O no hydrogen 3.016 N/A LYS 154.A N GLU 150.A O no hydrogen 2.395 N/A LYS 154.A NZ GLU 150.A OE1 no hydrogen 2.764 N/A LEU 155.A N TYR 151.A O no hydrogen 2.681 N/A MET 156.A N ARG 152.A O no hydrogen 2.888 N/A ASP 157.A N LYS 153.A O no hydrogen 3.226 N/A GLY 158.A N LYS 154.A O no hydrogen 2.681 N/A THR 160.A N ASP 157.A O no hydrogen 3.002 N/A ASN 161.A ND2 ASP 157.A O no hydrogen 3.616 N/A GLN 162.A N GLN 162.A OE1 no hydrogen 2.365 N/A GLN 162.A NE2 GLY 158.A O no hydrogen 2.560 N/A CYS 163.A SG LEU 159.A O no hydrogen 3.302 N/A LYS 164.A NZ THR 160.A O no hydrogen 3.142 N/A GLU 168.A N GLN 162.A O no hydrogen 3.165 N/A GLN 169.A NE2 ASN 167.A O no hydrogen 3.240 N/A ARG 178.A N GLU 176.A OE1 no hydrogen 3.097 N/A PHE 181.A N ASP 182.A OD2 no hydrogen 3.129 N/A TRP 184.A N PHE 181.A O no hydrogen 3.091 N/A ASN 186.A ND2 ASN 186.A O no hydrogen 3.233 N/A ASP 187.A N TRP 184.A O no hydrogen 2.891 N/A ASN 189.A N ASP 187.A OD2 no hydrogen 3.107 N/A TYR 190.A N ASP 187.A OD2 no hydrogen 3.043 N/A TYR 190.A OH LEU 137.A O no hydrogen 2.652 N/A THR 191.A N ASP 187.A O no hydrogen 3.117 N/A THR 191.A OG1 ASP 187.A O no hydrogen 3.497 N/A THR 191.A OG1 SER 188.A O no hydrogen 2.978 N/A THR 191.A OG1 ASP 279.A O no hydrogen 2.924 N/A LYS 192.A N SER 188.A O no hydrogen 3.446 N/A LYS 192.A NZ PRO 38.A O no hydrogen 3.044 N/A ILE 193.A N ASN 189.A O no hydrogen 3.045 N/A ILE 193.A N TYR 190.A O no hydrogen 2.655 N/A VAL 194.A N TYR 190.A O no hydrogen 3.040 N/A ALA 195.A N THR 191.A O no hydrogen 2.718 N/A ALA 196.A N LYS 192.A O no hydrogen 2.993 N/A VAL 197.A N ILE 193.A O no hydrogen 2.804 N/A ASP 198.A N VAL 194.A O no hydrogen 2.928 N/A MET 199.A N ALA 195.A O no hydrogen 2.966 N/A PHE 200.A N ALA 196.A O no hydrogen 2.928 N/A PHE 201.A N VAL 197.A O no hydrogen 3.050 N/A HIS 202.A N ASP 198.A O no hydrogen 2.525 N/A PHE 204.A N PHE 200.A O no hydrogen 2.797 N/A LYS 205.A NZ HIS 202.A O no hydrogen 3.263 N/A LYS 205.A NZ MET 203.A O no hydrogen 3.558 N/A HIS 207.A N PHE 204.A O no hydrogen 3.075 N/A CYS 209.A N HIS 207.A ND1 no hydrogen 2.934 N/A CYS 209.A SG ASP 130.A OD2 no hydrogen 3.780 N/A ALA 210.A N HIS 207.A O no hydrogen 3.132 N/A PHE 212.A N CYS 209.A O no hydrogen 2.980 N/A ARG 213.A N ALA 210.A O no hydrogen 3.176 N/A TYR 214.A N SER 211.A O no hydrogen 3.395 N/A TYR 214.A OH LYS 154.A O no hydrogen 3.216 N/A THR 216.A OG1 VAL 194.A O no hydrogen 2.621 N/A SER 219.A OG ASP 279.A OD2 no hydrogen 2.989 N/A ARG 220.A N ILE 217.A O no hydrogen 3.062 N/A ARG 220.A NE TYR 276.A OH no hydrogen 2.833 N/A ARG 220.A NH2 TYR 276.A OH no hydrogen 3.548 N/A PHE 221.A N PRO 275.A O no hydrogen 2.670 N/A LYS 222.A N SER 219.A O no hydrogen 3.058 N/A LYS 222.A NZ TYR 141.A OH no hydrogen 3.028 N/A LYS 222.A NZ ASP 279.A OD1 no hydrogen 3.399 N/A CYS 224.A N PHE 221.A O no hydrogen 3.349 N/A CYS 224.A SG LYS 222.A O no hydrogen 3.703 N/A ALA 226.A N TYR 288.A O no hydrogen 2.964 N/A LEU 227.A N TYR 288.A O no hydrogen 3.390 N/A ALA 228.A N CYS 224.A O no hydrogen 3.270 N/A ALA 228.A N ALA 225.A O no hydrogen 3.022 N/A THR 229.A N ALA 225.A O no hydrogen 2.768 N/A THR 229.A OG1 ALA 226.A O no hydrogen 3.554 N/A PHE 230.A N ALA 226.A O no hydrogen 2.906 N/A GLY 231.A N LEU 227.A O no hydrogen 3.417 N/A HIS 232.A N ALA 228.A O no hydrogen 3.201 N/A HIS 232.A NE2 SER 309.A OG no hydrogen 2.570 N/A LEU 233.A N THR 229.A O no hydrogen 3.068 N/A CYS 234.A N PHE 230.A O no hydrogen 2.952 N/A CYS 234.A SG PHE 230.A O no hydrogen 3.540 N/A LYS 235.A N GLY 231.A O no hydrogen 3.070 N/A ILE 236.A N HIS 232.A O no hydrogen 2.733 N/A ILE 236.A N LEU 233.A O no hydrogen 3.007 N/A THR 237.A N LEU 233.A O no hydrogen 2.791 N/A THR 237.A N CYS 234.A O no hydrogen 3.123 N/A THR 237.A OG1 LEU 233.A O no hydrogen 2.945 N/A THR 237.A OG1 CYS 234.A O no hydrogen 3.206 N/A THR 237.A OG1 TYR 333.A OH no hydrogen 3.337 N/A GLY 238.A N LYS 235.A O no hydrogen 3.385 N/A ASP 243.A N SER 240.A OG no hydrogen 2.978 N/A VAL 244.A N SER 240.A O no hydrogen 2.776 N/A THR 245.A N THR 241.A O no hydrogen 3.025 N/A THR 245.A OG1 THR 241.A O no hydrogen 2.600 N/A THR 246.A N GLU 242.A O no hydrogen 3.266 N/A THR 246.A N ASP 243.A O no hydrogen 3.261 N/A THR 246.A OG1 ASP 243.A O no hydrogen 2.734 N/A TRP 247.A N VAL 244.A O no hydrogen 3.081 N/A TRP 247.A NE1 ARG 372.A O no hydrogen 3.061 N/A ILE 248.A N THR 245.A O no hydrogen 3.191 N/A ASN 250.A ND2 SER 325.A O no hydrogen 3.203 N/A VAL 253.A N ASN 250.A O no hydrogen 2.808 N/A ALA 254.A N ASN 250.A O no hydrogen 2.930 N/A ASP 255.A N ARG 251.A O no hydrogen 2.708 N/A MET 257.A N VAL 253.A O no hydrogen 2.939 N/A VAL 258.A N ALA 254.A O no hydrogen 2.773 N/A GLN 259.A N ASP 255.A O no hydrogen 2.947 N/A GLN 259.A NE2 PRO 287.A O no hydrogen 2.909 N/A GLN 259.A NE2 LYS 292.A O no hydrogen 3.489 N/A MET 260.A N GLU 256.A O no hydrogen 2.719 N/A MET 261.A N MET 257.A O no hydrogen 2.880 N/A LYS 269.A N GLU 266.A O no hydrogen 2.942 N/A LYS 269.A NZ SER 88.A O no hydrogen 2.753 N/A SER 272.A OG GLU 266.A OE1 no hydrogen 2.741 N/A MET 274.A N SER 272.A OG no hydrogen 3.044 N/A TYR 276.A N TYR 273.A O no hydrogen 2.788 N/A TYR 276.A OH ASP 198.A OD2 no hydrogen 2.362 N/A LEU 277.A N MET 274.A O no hydrogen 2.862 N/A PHE 280.A N TYR 276.A O no hydrogen 2.876 N/A GLY 281.A N ILE 278.A O no hydrogen 3.065 N/A SER 283.A OG GLU 25.A O no hydrogen 2.629 N/A SER 284.A OG GLU 25.A OE1 no hydrogen 2.869 N/A SER 284.A OG GLU 25.A OE2 no hydrogen 2.763 N/A LYS 285.A N SER 283.A OG no hydrogen 3.338 N/A SER 286.A OG ASP 223.A O no hydrogen 2.527 N/A TYR 288.A N SER 286.A OG no hydrogen 3.079 N/A SER 289.A OG SER 286.A O no hydrogen 3.141 N/A LYS 292.A N SER 289.A OG no hydrogen 3.019 N/A LYS 292.A NZ ASP 22.A O no hydrogen 2.929 N/A ASN 293.A N SER 290.A O no hydrogen 3.153 N/A ASN 293.A ND2 PRO 287.A O no hydrogen 3.012 N/A ASN 293.A ND2 SER 289.A O no hydrogen 2.736 N/A PHE 296.A N GLU 256.A OE2 no hydrogen 2.820 N/A HIS 297.A N ASN 293.A O no hydrogen 2.642 N/A PHE 298.A N PRO 294.A O no hydrogen 2.952 N/A TRP 299.A N ALA 295.A O no hydrogen 3.052 N/A GLY 300.A N PHE 296.A O no hydrogen 3.133 N/A GLN 301.A N HIS 297.A O no hydrogen 3.154 N/A LEU 302.A N PHE 298.A O no hydrogen 2.778 N/A THR 303.A N TRP 299.A O no hydrogen 2.724 N/A THR 303.A OG1 TRP 299.A O no hydrogen 3.470 N/A THR 303.A OG1 GLY 330.A O no hydrogen 3.255 N/A ALA 304.A N GLY 300.A O no hydrogen 2.999 N/A LEU 305.A N GLN 301.A O no hydrogen 2.553 N/A LEU 306.A N LEU 302.A O no hydrogen 2.980 N/A LEU 307.A N THR 303.A O no hydrogen 2.933 N/A ARG 308.A N LEU 305.A O no hydrogen 2.725 N/A SER 309.A N ALA 304.A O no hydrogen 2.921 N/A SER 309.A OG HIS 232.A NE2 no hydrogen 2.570 N/A ARG 311.A NH1 ALA 228.A O no hydrogen 3.185 N/A ALA 312.A N SER 309.A OG no hydrogen 3.235 N/A ARG 313.A NH1 GLY 405.A O no hydrogen 3.050 N/A ARG 313.A NH2 GLY 405.A O no hydrogen 3.089 N/A ASN 314.A N ARG 311.A O no hydrogen 2.931 N/A ALA 315.A N ALA 312.A O no hydrogen 2.879 N/A ARG 316.A NH1 ARG 316.A O no hydrogen 2.180 N/A GLN 317.A N LYS 409.A O no hydrogen 2.705 N/A TYR 323.A OH PRO 318.A O no hydrogen 2.625 N/A SER 325.A OG GLU 322.A OE2 no hydrogen 2.804 N/A LEU 326.A N GLU 322.A O no hydrogen 3.305 N/A THR 327.A N TYR 323.A O no hydrogen 3.070 N/A THR 327.A OG1 TYR 323.A O no hydrogen 2.691 N/A THR 328.A OG1 THR 324.A O no hydrogen 3.392 N/A ALA 329.A N SER 325.A O no hydrogen 3.069 N/A GLY 330.A N THR 327.A O no hydrogen 2.931 N/A LEU 331.A N THR 327.A O no hydrogen 2.686 N/A LEU 332.A N THR 328.A O no hydrogen 2.884 N/A TYR 333.A N ALA 329.A O no hydrogen 3.468 N/A ALA 334.A N GLY 330.A O no hydrogen 2.689 N/A TYR 335.A N LEU 331.A O no hydrogen 2.684 N/A TYR 335.A OH ASP 391.A OD1 no hydrogen 2.595 N/A ALA 336.A N LEU 332.A O no hydrogen 2.724 N/A VAL 337.A N TYR 333.A O no hydrogen 3.000 N/A GLY 338.A N ALA 334.A O no hydrogen 2.647 N/A SER 339.A N TYR 335.A O no hydrogen 2.829 N/A SER 339.A OG TYR 335.A O no hydrogen 2.649 N/A SER 339.A OG ALA 336.A O no hydrogen 3.290 N/A SER 340.A N ALA 336.A O no hydrogen 3.233 N/A SER 340.A OG ALA 336.A O no hydrogen 2.904 N/A SER 340.A OG SER 340.A O no hydrogen 2.580 N/A SER 340.A OG GLY 371.A O no hydrogen 3.124 N/A GLN 345.A NE2 PHE 347.A O no hydrogen 2.606 N/A GLN 345.A NE2 ASP 351.A O no hydrogen 3.093 N/A LYS 353.A N GLN 345.A OE1 no hydrogen 2.984 N/A TYR 354.A N ASN 352.A O no hydrogen 3.000 N/A ASP 357.A N THR 355.A O no hydrogen 2.675 N/A SER 359.A OG ASP 357.A O no hydrogen 3.449 N/A THR 360.A N ASP 358.A O no hydrogen 2.283 N/A THR 364.A N GLY 362.A O no hydrogen 2.405 N/A THR 364.A OG1 THR 364.A O no hydrogen 2.498 N/A THR 365.A N LEU 363.A O no hydrogen 2.451 N/A ARG 372.A NE SER 340.A O no hydrogen 3.346 N/A ARG 372.A NH2 VAL 337.A O no hydrogen 2.912 N/A ARG 372.A NH2 SER 340.A O no hydrogen 3.557 N/A GLU 376.A N ASP 373.A OD1 no hydrogen 3.047 N/A TRP 377.A N ASP 373.A O no hydrogen 2.885 N/A TRP 377.A NE1 GLY 371.A O no hydrogen 2.756 N/A LEU 378.A N VAL 374.A O no hydrogen 2.531 N/A GLY 379.A N VAL 375.A O no hydrogen 2.848 N/A TRP 380.A N GLU 376.A O no hydrogen 2.997 N/A TRP 380.A NE1 ASN 366.A O no hydrogen 3.081 N/A PHE 381.A N TRP 377.A O no hydrogen 2.665 N/A GLU 382.A N LEU 378.A O no hydrogen 2.759 N/A ASP 383.A N GLY 379.A O no hydrogen 2.769 N/A GLN 384.A N PHE 381.A O no hydrogen 2.509 N/A ASN 385.A N GLU 382.A O no hydrogen 3.121 N/A ARG 386.A N PHE 381.A O no hydrogen 3.174 N/A MET 392.A N THR 389.A OG1 no hydrogen 3.310 N/A MET 393.A N THR 389.A O no hydrogen 2.729 N/A GLN 394.A N PRO 390.A O no hydrogen 2.706 N/A TYR 395.A N ASP 391.A O no hydrogen 2.501 N/A ALA 396.A N MET 392.A O no hydrogen 2.801 N/A LYS 397.A N MET 393.A O no hydrogen 2.968 N/A ARG 398.A N GLN 394.A O no hydrogen 2.708 N/A ALA 399.A N TYR 395.A O no hydrogen 2.904 N/A VAL 400.A N ALA 396.A O no hydrogen 3.050 N/A MET 401.A N LYS 397.A O no hydrogen 3.039 N/A SER 402.A OG MET 401.A O no hydrogen 2.598 N/A LEU 403.A N VAL 400.A O no hydrogen 3.100 N/A THR 410.A N ARG 407.A O no hydrogen 3.289 N/A THR 410.A OG1 ARG 313.A O no hydrogen 3.240 N/A THR 410.A OG1 ARG 407.A O no hydrogen 2.815 N/A ILE 411.A N ALA 315.A O no hydrogen 2.560 N/A LYS 413.A N THR 410.A OG1 no hydrogen 3.262 N/A TYR 414.A N THR 410.A O no hydrogen 2.890 N/A ALA 415.A N ILE 411.A O no hydrogen 2.841 N/A LYS 416.A N GLY 412.A O no hydrogen 3.061 N/A LYS 416.A NZ LEU 403.A O no hydrogen 3.228 N/A SER 417.A N LYS 413.A O no hydrogen 3.382 N/A SER 417.A N TYR 414.A O no hydrogen 2.957 N/A SER 417.A OG LYS 413.A O no hydrogen 3.303 N/A GLU 418.A N TYR 414.A O no hydrogen 2.753 N/A PHE 419.A N ALA 415.A O no hydrogen 2.760 N/A ASP 420.A N LYS 416.A O no hydrogen 2.826 N/A LYS 421.A NZ SER 417.A O no hydrogen 2.796 N/A