Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pu1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N THR 11.A O no hydrogen 2.837 N/A ASN 10.A N ILE 7.A O no hydrogen 3.143 N/A THR 11.A N ASP 9.A OD2 no hydrogen 3.137 N/A THR 11.A OG1 ASP 9.A OD2 no hydrogen 2.549 N/A ILE 13.A N VAL 4.A O no hydrogen 3.082 N/A LYS 16.A NZ VAL 14.A O no hydrogen 3.056 N/A GLU 25.A N LYS 285.A O no hydrogen 2.939 N/A TYR 26.A OH GLN 259.A O no hydrogen 2.992 N/A TYR 30.A N ALA 28.A O no hydrogen 2.356 N/A LYS 33.A N TYR 30.A O no hydrogen 2.683 N/A GLU 36.A N SER 34.A OG no hydrogen 3.115 N/A LEU 39.A N VAL 107.A O no hydrogen 3.396 N/A TYR 40.A N ASN 189.A OD1 no hydrogen 3.219 N/A ILE 41.A N LEU 39.A O no hydrogen 2.788 N/A LYS 45.A NZ THR 44.A O no hydrogen 2.831 N/A LEU 50.A N SER 46.A O no hydrogen 2.819 N/A ARG 51.A N LEU 47.A O no hydrogen 2.790 N/A ARG 51.A NE ASP 129.A OD1 no hydrogen 3.303 N/A GLY 52.A N SER 48.A O no hydrogen 3.402 N/A GLY 52.A N ASP 49.A O no hydrogen 3.088 N/A TYR 53.A N ASP 49.A O no hydrogen 3.193 N/A VAL 54.A N LEU 50.A O no hydrogen 3.202 N/A TYR 55.A N ARG 51.A O no hydrogen 3.342 N/A GLN 56.A N GLY 52.A O no hydrogen 3.062 N/A GLY 57.A N TYR 53.A O no hydrogen 2.767 N/A LEU 58.A N VAL 54.A O no hydrogen 2.630 N/A LYS 59.A N GLN 56.A O no hydrogen 2.609 N/A SER 60.A OG GLY 57.A O no hydrogen 3.016 N/A SER 60.A OG ASN 62.A OD1 no hydrogen 2.597 N/A ASN 62.A N SER 60.A O no hydrogen 2.909 N/A HIS 67.A N SER 64.A O no hydrogen 2.815 N/A VAL 68.A N SER 64.A O no hydrogen 3.378 N/A ASN 69.A N ILE 65.A O no hydrogen 3.297 N/A SER 70.A OG THR 43.A O no hydrogen 3.456 N/A SER 70.A OG ILE 66.A O no hydrogen 3.245 N/A TYR 71.A N HIS 67.A O no hydrogen 2.759 N/A TYR 71.A OH ASP 129.A OD1 no hydrogen 2.698 N/A LEU 72.A N VAL 68.A O no hydrogen 2.768 N/A TYR 73.A N ASN 69.A O no hydrogen 2.995 N/A GLY 74.A N SER 70.A O no hydrogen 2.801 N/A ALA 75.A N TYR 71.A O no hydrogen 2.654 N/A LEU 76.A N TYR 73.A O no hydrogen 3.410 N/A LYS 77.A NZ TYR 73.A O no hydrogen 3.545 N/A LYS 77.A NZ GLY 74.A O no hydrogen 3.548 N/A ARG 80.A N ASP 78.A O no hydrogen 2.330 N/A LEU 83.A N ASP 99.A O no hydrogen 3.060 N/A TRP 87.A NE1 ASP 271.A O no hydrogen 2.905 N/A SER 88.A OG ASN 93.A OD1 no hydrogen 3.379 N/A SER 89.A OG GLU 266.A OE1 no hydrogen 3.263 N/A SER 89.A OG GLU 266.A OE2 no hydrogen 3.437 N/A PHE 90.A N GLU 266.A OE2 no hydrogen 2.900 N/A GLY 95.A N TRP 87.A O no hydrogen 3.498 N/A ALA 97.A N ASP 86.A OD2 no hydrogen 3.373 N/A GLY 98.A N LEU 83.A O no hydrogen 2.678 N/A ASP 99.A N LYS 96.A O no hydrogen 3.089 N/A THR 100.A N ASP 99.A OD1 no hydrogen 2.765 N/A ILE 101.A N GLY 81.A O no hydrogen 2.848 N/A GLY 102.A N ASP 105.A OD2 no hydrogen 2.397 N/A ASP 105.A N GLY 102.A O no hydrogen 2.832 N/A LEU 109.A N LEU 39.A O no hydrogen 3.372 N/A LYS 110.A NZ ASN 42.A O no hydrogen 3.532 N/A LYS 110.A NZ THR 44.A OG1 no hydrogen 2.708 N/A ALA 111.A N ASN 42.A O no hydrogen 3.242 N/A ASP 122.A N VAL 120.A O no hydrogen 2.758 N/A SER 124.A N ASP 122.A OD1 no hydrogen 2.657 N/A SER 124.A OG ASP 122.A OD1 no hydrogen 2.425 N/A SER 124.A OG ASP 122.A OD2 no hydrogen 2.903 N/A ARG 125.A NH2 TYR 55.A OH no hydrogen 2.785 N/A SER 127.A N THR 126.A OG1 no hydrogen 2.501 N/A TRP 132.A N ASP 129.A O no hydrogen 2.762 N/A LEU 133.A N ASP 129.A O no hydrogen 3.068 N/A TYR 136.A N TRP 132.A O no hydrogen 3.024 N/A LEU 137.A N LEU 133.A O no hydrogen 3.056 N/A LEU 138.A N PRO 134.A O no hydrogen 2.766 N/A GLY 139.A N LEU 135.A O no hydrogen 2.823 N/A LEU 140.A N TYR 136.A O no hydrogen 3.079 N/A TYR 141.A N LEU 138.A O no hydrogen 2.957 N/A TYR 141.A OH ASP 279.A OD2 no hydrogen 2.525 N/A ARG 142.A N GLY 139.A O no hydrogen 3.044 N/A ARG 142.A NH1 TYR 214.A O no hydrogen 2.647 N/A VAL 143.A N GLY 139.A O no hydrogen 3.499 N/A GLY 144.A N LEU 140.A O no hydrogen 2.963 N/A GLY 144.A N TYR 141.A O no hydrogen 3.257 N/A ARG 145.A N ARG 142.A O no hydrogen 3.237 N/A THR 146.A OG1 MET 148.A O no hydrogen 3.454 N/A THR 146.A OG1 GLU 150.A OE2 no hydrogen 3.483 N/A MET 148.A N THR 146.A OG1 no hydrogen 3.333 N/A TYR 151.A N MET 148.A O no hydrogen 2.701 N/A LYS 153.A N GLU 150.A O no hydrogen 3.022 N/A LYS 153.A NZ PRO 149.A O no hydrogen 3.533 N/A LYS 154.A N GLU 150.A O no hydrogen 3.011 N/A LEU 155.A N TYR 151.A O no hydrogen 2.915 N/A MET 156.A N ARG 152.A O no hydrogen 3.313 N/A ASP 157.A N LYS 153.A O no hydrogen 3.120 N/A GLY 158.A N LYS 154.A O no hydrogen 2.475 N/A LEU 159.A N MET 156.A O no hydrogen 3.396 N/A THR 160.A N ASP 157.A O no hydrogen 3.063 N/A THR 160.A OG1 ASP 157.A O no hydrogen 2.688 N/A GLN 162.A N GLN 162.A OE1 no hydrogen 2.486 N/A GLN 162.A NE2 GLY 158.A O no hydrogen 2.994 N/A CYS 163.A SG LEU 159.A O no hydrogen 3.885 N/A ASN 167.A N GLN 162.A O no hydrogen 3.229 N/A GLN 169.A NE2 ASN 167.A O no hydrogen 3.608 N/A ARG 178.A N GLU 176.A OE1 no hydrogen 3.036 N/A ARG 178.A NH1 ARG 145.A O no hydrogen 2.778 N/A GLY 185.A N ASP 182.A O no hydrogen 3.122 N/A ASN 186.A N VAL 183.A O no hydrogen 2.653 N/A ASN 186.A ND2 ASN 186.A O no hydrogen 2.967 N/A ASP 187.A N TRP 184.A O no hydrogen 3.030 N/A TYR 190.A N ASP 187.A O no hydrogen 2.784 N/A TYR 190.A OH LEU 137.A O no hydrogen 2.679 N/A THR 191.A N ASP 187.A O no hydrogen 3.296 N/A THR 191.A OG1 SER 188.A O no hydrogen 3.267 N/A THR 191.A OG1 ASP 279.A O no hydrogen 2.834 N/A LYS 192.A NZ PRO 38.A O no hydrogen 3.180 N/A LYS 192.A NZ SER 188.A OG no hydrogen 3.423 N/A ILE 193.A N TYR 190.A O no hydrogen 2.927 N/A VAL 194.A N TYR 190.A O no hydrogen 3.020 N/A ALA 195.A N THR 191.A O no hydrogen 2.715 N/A ALA 196.A N LYS 192.A O no hydrogen 3.211 N/A VAL 197.A N ILE 193.A O no hydrogen 2.922 N/A ASP 198.A N VAL 194.A O no hydrogen 3.027 N/A MET 199.A N ALA 195.A O no hydrogen 2.911 N/A PHE 200.A N ALA 196.A O no hydrogen 3.038 N/A PHE 201.A N VAL 197.A O no hydrogen 3.042 N/A MET 203.A N PHE 200.A O no hydrogen 3.211 N/A PHE 204.A N PHE 200.A O no hydrogen 3.199 N/A HIS 207.A N PHE 204.A O no hydrogen 3.077 N/A CYS 209.A N HIS 207.A ND1 no hydrogen 2.745 N/A CYS 209.A SG ASP 130.A OD1 no hydrogen 3.760 N/A CYS 209.A SG ASP 130.A OD2 no hydrogen 3.842 N/A ALA 210.A N HIS 207.A O no hydrogen 3.428 N/A PHE 212.A N CYS 209.A O no hydrogen 3.253 N/A ARG 213.A N ALA 210.A O no hydrogen 3.180 N/A ARG 213.A NH1 ASP 198.A O no hydrogen 3.526 N/A TYR 214.A N SER 211.A O no hydrogen 3.180 N/A TYR 214.A OH LYS 154.A O no hydrogen 3.083 N/A THR 216.A OG1 VAL 194.A O no hydrogen 2.962 N/A SER 219.A OG ASP 279.A OD2 no hydrogen 3.187 N/A ARG 220.A N ILE 217.A O no hydrogen 2.757 N/A ARG 220.A NE TYR 276.A OH no hydrogen 2.979 N/A PHE 221.A N PRO 275.A O no hydrogen 3.008 N/A LYS 222.A N SER 219.A O no hydrogen 3.212 N/A LYS 222.A NZ TYR 141.A OH no hydrogen 2.911 N/A LYS 222.A NZ ASP 279.A OD1 no hydrogen 2.950 N/A CYS 224.A N PHE 221.A O no hydrogen 3.196 N/A CYS 224.A SG LYS 222.A O no hydrogen 3.689 N/A ALA 228.A N ALA 226.A O no hydrogen 2.428 N/A THR 229.A N ALA 225.A O no hydrogen 3.003 N/A THR 229.A OG1 ALA 226.A O no hydrogen 3.392 N/A PHE 230.A N ALA 226.A O no hydrogen 2.913 N/A HIS 232.A N ALA 228.A O no hydrogen 3.305 N/A HIS 232.A N THR 229.A O no hydrogen 3.123 N/A HIS 232.A NE2 SER 309.A OG no hydrogen 2.698 N/A LEU 233.A N THR 229.A O no hydrogen 2.876 N/A CYS 234.A N PHE 230.A O no hydrogen 3.182 N/A CYS 234.A SG PHE 230.A O no hydrogen 3.581 N/A LYS 235.A N GLY 231.A O no hydrogen 3.161 N/A ILE 236.A N HIS 232.A O no hydrogen 3.067 N/A THR 237.A N LEU 233.A O no hydrogen 3.153 N/A THR 237.A N CYS 234.A O no hydrogen 3.256 N/A THR 237.A OG1 LEU 233.A O no hydrogen 3.079 N/A THR 237.A OG1 CYS 234.A O no hydrogen 3.277 N/A GLY 238.A N LYS 235.A O no hydrogen 3.389 N/A MET 239.A N THR 237.A OG1 no hydrogen 3.350 N/A SER 240.A OG ASP 243.A OD2 no hydrogen 3.238 N/A GLU 242.A N SER 240.A OG no hydrogen 2.842 N/A ASP 243.A N SER 240.A OG no hydrogen 2.815 N/A VAL 244.A N SER 240.A O no hydrogen 2.968 N/A THR 245.A N THR 241.A O no hydrogen 3.491 N/A THR 245.A OG1 THR 241.A O no hydrogen 2.776 N/A THR 246.A N ASP 243.A O no hydrogen 3.164 N/A THR 246.A OG1 ASP 243.A O no hydrogen 2.425 N/A TRP 247.A N VAL 244.A O no hydrogen 2.932 N/A TRP 247.A NE1 ARG 372.A O no hydrogen 3.269 N/A ILE 248.A N THR 245.A O no hydrogen 3.034 N/A ASN 250.A ND2 SER 325.A O no hydrogen 3.236 N/A ALA 254.A N ASN 250.A O no hydrogen 3.010 N/A ASP 255.A N ARG 251.A O no hydrogen 2.690 N/A GLU 256.A N GLU 252.A O no hydrogen 2.651 N/A MET 257.A N VAL 253.A O no hydrogen 2.854 N/A VAL 258.A N ALA 254.A O no hydrogen 2.981 N/A GLN 259.A N ASP 255.A O no hydrogen 3.013 N/A GLN 259.A NE2 PRO 287.A O no hydrogen 3.150 N/A GLN 259.A NE2 LYS 292.A O no hydrogen 3.317 N/A MET 260.A N GLU 256.A O no hydrogen 3.085 N/A MET 261.A N MET 257.A O no hydrogen 3.042 N/A MET 261.A N VAL 258.A O no hydrogen 2.927 N/A LEU 262.A N VAL 258.A O no hydrogen 2.940 N/A LYS 269.A N GLU 266.A O no hydrogen 2.965 N/A MET 274.A N SER 272.A OG no hydrogen 2.787 N/A TYR 276.A N TYR 273.A O no hydrogen 2.957 N/A TYR 276.A OH ASP 198.A OD2 no hydrogen 2.563 N/A LEU 277.A N MET 274.A O no hydrogen 2.828 N/A PHE 280.A N TYR 276.A O no hydrogen 3.123 N/A GLY 281.A N ILE 278.A O no hydrogen 3.153 N/A SER 283.A N LEU 277.A O no hydrogen 2.852 N/A SER 283.A OG GLU 25.A O no hydrogen 2.688 N/A SER 284.A N GLU 25.A OE1 no hydrogen 3.498 N/A SER 284.A OG GLU 25.A OE1 no hydrogen 2.919 N/A LYS 285.A NZ ASP 22.A OD1 no hydrogen 3.264 N/A LYS 285.A NZ ASP 22.A OD2 no hydrogen 3.382 N/A SER 286.A OG ASP 223.A O no hydrogen 2.822 N/A TYR 288.A N SER 286.A OG no hydrogen 3.233 N/A SER 289.A OG SER 286.A O no hydrogen 3.342 N/A VAL 291.A N SER 289.A OG no hydrogen 3.392 N/A LYS 292.A N SER 289.A O no hydrogen 3.187 N/A LYS 292.A N SER 289.A OG no hydrogen 3.101 N/A LYS 292.A NZ GLU 21.A O no hydrogen 3.551 N/A LYS 292.A NZ ASP 22.A O no hydrogen 2.823 N/A LYS 292.A NZ ASP 22.A OD2 no hydrogen 2.970 N/A ASN 293.A ND2 PRO 287.A O no hydrogen 3.092 N/A ASN 293.A ND2 SER 289.A O no hydrogen 2.532 N/A PHE 296.A N GLU 256.A OE2 no hydrogen 2.617 N/A HIS 297.A N ASN 293.A O no hydrogen 2.901 N/A PHE 298.A N PRO 294.A O no hydrogen 2.979 N/A TRP 299.A N ALA 295.A O no hydrogen 2.819 N/A GLY 300.A N PHE 296.A O no hydrogen 3.169 N/A GLN 301.A N HIS 297.A O no hydrogen 2.944 N/A LEU 302.A N PHE 298.A O no hydrogen 2.903 N/A THR 303.A N TRP 299.A O no hydrogen 2.926 N/A THR 303.A OG1 TRP 299.A O no hydrogen 2.948 N/A ALA 304.A N GLY 300.A O no hydrogen 3.135 N/A LEU 305.A N GLN 301.A O no hydrogen 2.981 N/A LEU 306.A N LEU 302.A O no hydrogen 3.033 N/A LEU 307.A N THR 303.A O no hydrogen 3.162 N/A ARG 308.A N LEU 305.A O no hydrogen 3.095 N/A SER 309.A N ALA 304.A O no hydrogen 2.842 N/A SER 309.A OG HIS 232.A NE2 no hydrogen 2.698 N/A ARG 313.A N THR 310.A O no hydrogen 3.102 N/A ALA 315.A N ALA 312.A O no hydrogen 3.310 N/A ARG 316.A NH1 ARG 316.A O no hydrogen 2.508 N/A GLN 317.A N LYS 409.A O no hydrogen 3.062 N/A TYR 323.A OH PRO 318.A O no hydrogen 2.626 N/A SER 325.A OG GLU 322.A OE2 no hydrogen 2.825 N/A LEU 326.A N GLU 322.A O no hydrogen 3.215 N/A THR 327.A N TYR 323.A O no hydrogen 2.957 N/A THR 327.A OG1 THR 324.A O no hydrogen 3.313 N/A THR 328.A N THR 324.A O no hydrogen 3.197 N/A THR 328.A OG1 THR 324.A O no hydrogen 3.131 N/A ALA 329.A N SER 325.A O no hydrogen 3.092 N/A GLY 330.A N LEU 326.A O no hydrogen 3.085 N/A GLY 330.A N THR 327.A O no hydrogen 2.863 N/A LEU 331.A N THR 327.A O no hydrogen 2.721 N/A LEU 332.A N THR 328.A O no hydrogen 2.902 N/A ALA 334.A N GLY 330.A O no hydrogen 2.889 N/A TYR 335.A N LEU 331.A O no hydrogen 2.712 N/A TYR 335.A OH ASP 391.A OD1 no hydrogen 2.584 N/A ALA 336.A N LEU 332.A O no hydrogen 2.880 N/A VAL 337.A N TYR 333.A O no hydrogen 3.270 N/A SER 339.A N TYR 335.A O no hydrogen 3.166 N/A SER 339.A OG TYR 335.A O no hydrogen 2.764 N/A SER 339.A OG ALA 336.A O no hydrogen 3.517 N/A SER 340.A OG ALA 336.A O no hydrogen 3.558 N/A SER 340.A OG SER 340.A O no hydrogen 2.493 N/A SER 340.A OG GLY 371.A O no hydrogen 3.065 N/A GLN 345.A NE2 PHE 347.A O no hydrogen 2.752 N/A GLN 345.A NE2 ASP 351.A O no hydrogen 3.423 N/A LYS 353.A N GLN 345.A OE1 no hydrogen 3.536 N/A ASP 357.A N THR 355.A O no hydrogen 2.382 N/A ASP 358.A N ASP 357.A OD2 no hydrogen 2.335 N/A THR 364.A N GLY 362.A O no hydrogen 2.766 N/A THR 364.A OG1 THR 364.A O no hydrogen 2.717 N/A THR 365.A N LEU 363.A O no hydrogen 2.501 N/A ARG 372.A NE SER 340.A O no hydrogen 3.388 N/A ARG 372.A NH1 THR 237.A O no hydrogen 2.915 N/A ARG 372.A NH2 SER 340.A O no hydrogen 3.497 N/A VAL 375.A N ASP 373.A OD1 no hydrogen 2.949 N/A GLU 376.A N ASP 373.A OD1 no hydrogen 3.093 N/A TRP 377.A N ASP 373.A O no hydrogen 3.148 N/A TRP 377.A NE1 GLY 371.A O no hydrogen 2.932 N/A LEU 378.A N VAL 374.A O no hydrogen 3.115 N/A GLY 379.A N VAL 375.A O no hydrogen 2.934 N/A TRP 380.A N GLU 376.A O no hydrogen 3.000 N/A TRP 380.A NE1 ASN 366.A O no hydrogen 2.770 N/A PHE 381.A N TRP 377.A O no hydrogen 2.917 N/A GLU 382.A N LEU 378.A O no hydrogen 3.048 N/A ASP 383.A N GLY 379.A O no hydrogen 2.944 N/A GLN 384.A N TRP 380.A O no hydrogen 3.093 N/A GLN 384.A N PHE 381.A O no hydrogen 3.012 N/A GLN 384.A NE2 ASN 366.A OD1 no hydrogen 2.910 N/A ASN 385.A N GLU 382.A O no hydrogen 3.081 N/A ARG 386.A N PHE 381.A O no hydrogen 2.897 N/A MET 392.A N THR 389.A OG1 no hydrogen 3.243 N/A MET 393.A N THR 389.A O no hydrogen 3.233 N/A GLN 394.A N PRO 390.A O no hydrogen 3.238 N/A TYR 395.A N ASP 391.A O no hydrogen 2.582 N/A ALA 396.A N MET 392.A O no hydrogen 3.289 N/A LYS 397.A N MET 393.A O no hydrogen 3.182 N/A ARG 398.A N GLN 394.A O no hydrogen 3.077 N/A ALA 399.A N TYR 395.A O no hydrogen 3.233 N/A ALA 399.A N ALA 396.A O no hydrogen 3.147 N/A VAL 400.A N LYS 397.A O no hydrogen 3.299 N/A MET 401.A N LYS 397.A O no hydrogen 3.035 N/A SER 402.A OG MET 401.A O no hydrogen 2.334 N/A LEU 403.A N VAL 400.A O no hydrogen 3.080 N/A LYS 409.A NZ ASP 319.A OD2 no hydrogen 2.988 N/A THR 410.A OG1 ARG 313.A O no hydrogen 3.389 N/A THR 410.A OG1 ARG 407.A O no hydrogen 2.753 N/A ILE 411.A N ALA 315.A O no hydrogen 2.705 N/A LYS 413.A N THR 410.A OG1 no hydrogen 3.346 N/A TYR 414.A N THR 410.A O no hydrogen 2.927 N/A ALA 415.A N ILE 411.A O no hydrogen 2.984 N/A LYS 416.A N GLY 412.A O no hydrogen 3.036 N/A LYS 416.A NZ LEU 403.A O no hydrogen 2.890 N/A SER 417.A N LYS 413.A O no hydrogen 3.310 N/A SER 417.A OG LYS 413.A O no hydrogen 3.147 N/A GLU 418.A N TYR 414.A O no hydrogen 3.121 N/A GLU 418.A N ALA 415.A O no hydrogen 3.047 N/A PHE 419.A N ALA 415.A O no hydrogen 2.918 N/A ASP 420.A N LYS 416.A O no hydrogen 2.996 N/A LYS 421.A N PHE 419.A O no hydrogen 3.192 N/A LYS 421.A NZ SER 417.A O no hydrogen 2.547 N/A