Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aqs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 4.A OE2 no hydrogen 3.148 N/A GLY 5.A N CYS 2.A O no hydrogen 3.419 N/A SER 6.A N GLY 287.A O no hydrogen 2.845 N/A SER 6.A OG GLY 287.A O no hydrogen 3.112 N/A CYS 7.A N GLY 242.A O no hydrogen 2.907 N/A CYS 7.A SG GLY 242.A O no hydrogen 3.164 N/A THR 11.A OG1 GLY 236.A O no hydrogen 2.948 N/A GLY 12.A N GLY 236.A O no hydrogen 2.825 N/A LEU 14.A N VAL 234.A O no hydrogen 2.701 N/A LEU 15.A N ASP 13.A OD1 no hydrogen 2.995 N/A ARG 18.A N LEU 15.A O no hydrogen 2.851 N/A ARG 18.A NE GLU 95.A OE1 no hydrogen 2.839 N/A ARG 18.A NH1 LEU 14.A O no hydrogen 3.345 N/A ARG 18.A NH1 VAL 255.A O no hydrogen 3.053 N/A ARG 18.A NH2 GLU 95.A OE1 no hydrogen 3.198 N/A ARG 18.A NH2 VAL 255.A O no hydrogen 2.830 N/A LYS 21.A N ARG 18.A O no hydrogen 3.026 N/A LEU 22.A N ALA 19.A O no hydrogen 3.025 N/A SER 23.A N GLN 91.A O no hydrogen 2.963 N/A SER 23.A OG GLN 91.A O no hydrogen 3.462 N/A THR 25.A OG1 THR 89.A O no hydrogen 3.561 N/A SER 26.A OG GLU 82.A OE1 no hydrogen 3.410 N/A CYS 28.A N GLN 80.A O no hydrogen 2.984 N/A GLY 29.A N GLU 34.A OE2 no hydrogen 3.185 N/A GLU 34.A N CYS 51.A O no hydrogen 3.499 N/A TYR 36.A N PHE 49.A O no hydrogen 2.864 N/A CYS 37.A N GLU 223.A O no hydrogen 2.647 N/A ILE 38.A N LYS 47.A O no hydrogen 2.930 N/A SER 40.A OG ASP 45.A O no hydrogen 3.324 N/A SER 40.A OG ASP 45.A OD1 no hydrogen 3.336 N/A PHE 49.A N TYR 36.A O no hydrogen 2.859 N/A CYS 51.A N GLU 34.A O no hydrogen 2.675 N/A CYS 51.A SG SER 53.A OG no hydrogen 3.402 N/A CYS 51.A SG HIS 66.A ND1 no hydrogen 3.843 N/A SER 53.A OG CYS 28.A O no hydrogen 3.014 N/A ARG 54.A NE ASP 52.A OD2 no hydrogen 3.291 N/A ARG 54.A NH2 ASP 52.A OD2 no hydrogen 3.515 N/A HIS 58.A N ASN 62.A O no hydrogen 3.295 N/A SER 65.A OG ASP 55.A O no hydrogen 2.878 N/A HIS 66.A N SER 53.A OG no hydrogen 2.783 N/A ASN 70.A N LEU 67.A O no hydrogen 2.962 N/A ASN 70.A ND2 LEU 67.A O no hydrogen 2.909 N/A ASN 70.A ND2 TRP 78.A O no hydrogen 3.337 N/A VAL 71.A N ILE 68.A O no hydrogen 3.002 N/A THR 74.A OG1 THR 73.A O no hydrogen 2.778 N/A LYS 76.A NZ GLU 169.A OE2 no hydrogen 3.206 N/A TRP 78.A NE1 GLN 80.A OE1 no hydrogen 2.688 N/A TRP 79.A N VAL 229.A O no hydrogen 3.318 N/A SER 81.A N TYR 227.A O no hydrogen 2.940 N/A SER 81.A OG TYR 227.A O no hydrogen 3.452 N/A GLU 82.A N SER 26.A OG no hydrogen 2.926 N/A ASN 83.A ND2 PRO 35.A O no hydrogen 2.576 N/A GLY 84.A N TYR 225.A O no hydrogen 2.689 N/A VAL 85.A N GLU 82.A O no hydrogen 3.191 N/A ILE 90.A N ILE 202.A O no hydrogen 2.922 N/A GLN 91.A N SER 23.A O no hydrogen 2.895 N/A GLN 91.A NE2 ASP 93.A OD1 no hydrogen 3.503 N/A LEU 92.A N LEU 200.A O no hydrogen 2.852 N/A LEU 94.A N THR 198.A O no hydrogen 2.830 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 2.819 N/A PHE 98.A N ILE 197.A O no hydrogen 2.851 N/A HIS 99.A N ASN 237.A O no hydrogen 2.692 N/A PHE 100.A N LEU 195.A O no hydrogen 2.945 N/A THR 101.A N ARG 235.A O no hydrogen 2.818 N/A LEU 103.A N PHE 174.A O no hydrogen 3.160 N/A ILE 104.A N VAL 233.A O no hydrogen 2.959 N/A MET 105.A N VAL 172.A O no hydrogen 3.250 N/A THR 106.A N ASP 231.A O no hydrogen 3.232 N/A PHE 107.A N GLY 170.A O no hydrogen 2.998 N/A LYS 108.A N ALA 228.A O no hydrogen 2.935 N/A ALA 113.A N LYS 206.A O no hydrogen 2.633 N/A MET 115.A N PHE 133.A O no hydrogen 3.052 N/A LEU 116.A N LYS 203.A O no hydrogen 2.948 N/A ILE 117.A N ARG 131.A O no hydrogen 2.987 N/A GLU 118.A N ARG 201.A O no hydrogen 2.743 N/A ARG 119.A N GLY 128.A O no hydrogen 2.984 N/A ARG 119.A NH2 ASN 193.A O no hydrogen 3.372 N/A SER 120.A N ASN 199.A O no hydrogen 2.840 N/A SER 120.A OG ASP 122.A OD1 no hydrogen 3.258 N/A SER 120.A OG ALA 126.A O no hydrogen 2.598 N/A ASP 122.A N ASP 122.A OD1 no hydrogen 2.594 N/A ALA 126.A N ASP 122.A OD2 no hydrogen 2.576 N/A GLY 128.A N ARG 119.A O no hydrogen 2.827 N/A TYR 130.A OH LEU 194.A O no hydrogen 2.830 N/A TYR 132.A N ILE 156.A O no hydrogen 3.120 N/A PHE 133.A N MET 115.A O no hydrogen 2.727 N/A CYS 137.A SG ASP 158.A O no hydrogen 3.112 N/A SER 139.A N ASP 136.A O no hydrogen 2.939 N/A SER 139.A N ASP 136.A OD2 no hydrogen 3.180 N/A SER 139.A OG ASP 136.A O no hydrogen 3.422 N/A SER 139.A OG ASP 136.A OD2 no hydrogen 3.127 N/A SER 140.A N ASP 136.A O no hydrogen 3.289 N/A SER 140.A OG ASP 136.A O no hydrogen 2.928 N/A ASP 154.A N LYS 151.A O no hydrogen 3.255 N/A CYS 157.A SG ASP 158.A O no hydrogen 3.509 N/A ASP 158.A N TYR 132.A O no hydrogen 2.952 N/A SER 159.A N ASP 158.A OD1 no hydrogen 2.587 N/A SER 159.A OG ALA 134.A O no hydrogen 3.457 N/A ARG 160.A N ASP 158.A OD1 no hydrogen 3.175 N/A ARG 160.A NE ASP 158.A OD2 no hydrogen 3.266 N/A ARG 160.A NH2 ASP 158.A OD2 no hydrogen 2.913 N/A SER 162.A N SER 159.A O no hydrogen 3.343 N/A SER 162.A OG ALA 134.A O no hydrogen 2.915 N/A SER 167.A N GLU 165.A O no hydrogen 2.780 N/A SER 167.A OG GLU 165.A O no hydrogen 3.554 N/A VAL 172.A N MET 105.A O no hydrogen 2.827 N/A PHE 174.A N LEU 103.A O no hydrogen 3.386 N/A ALA 176.A N THR 101.A O no hydrogen 3.413 N/A ALA 180.A N ASP 178.A OD1 no hydrogen 2.996 N/A SER 188.A N ASP 185.A O no hydrogen 3.132 N/A SER 188.A OG ASP 185.A O no hydrogen 3.214 N/A ILE 191.A N SER 188.A OG no hydrogen 3.266 N/A GLN 192.A N SER 188.A O no hydrogen 3.144 N/A GLN 192.A NE2 PRO 186.A O no hydrogen 3.390 N/A ASN 193.A N PRO 189.A O no hydrogen 3.112 N/A LEU 195.A N GLN 192.A O no hydrogen 3.066 N/A LYS 196.A N GLN 192.A O no hydrogen 3.036 N/A LYS 196.A NZ ASN 193.A OD1 no hydrogen 3.116 N/A ILE 197.A N PHE 98.A O no hydrogen 2.873 N/A THR 198.A N SER 120.A O no hydrogen 2.792 N/A THR 198.A OG1 SER 120.A O no hydrogen 2.801 N/A THR 198.A OG1 SER 121.A O no hydrogen 3.349 N/A ASN 199.A N SER 120.A O no hydrogen 3.075 N/A ASN 199.A ND2 SER 120.A O no hydrogen 3.700 N/A LEU 200.A N LEU 92.A O no hydrogen 3.198 N/A ARG 201.A N GLU 118.A O no hydrogen 2.916 N/A ARG 201.A NE GLN 91.A OE1 no hydrogen 2.936 N/A ARG 201.A NH1 GLU 118.A OE1 no hydrogen 3.474 N/A ARG 201.A NH2 GLN 91.A OE1 no hydrogen 2.698 N/A ILE 202.A N ILE 90.A O no hydrogen 2.926 N/A LYS 203.A N LEU 116.A O no hydrogen 2.902 N/A PHE 204.A N VAL 88.A O no hydrogen 2.844 N/A VAL 205.A N ALA 114.A O no hydrogen 2.902 N/A LYS 206.A NZ GLU 86.A OE2 no hydrogen 3.238 N/A LEU 207.A N GLU 86.A OE2 no hydrogen 3.063 N/A HIS 208.A NE2 ASP 163.A O no hydrogen 2.656 N/A THR 209.A OG1 ASP 212.A O no hydrogen 3.044 N/A SER 217.A OG LEU 214.A O no hydrogen 3.288 N/A ILE 221.A N ARG 218.A O no hydrogen 2.782 N/A LYS 224.A NZ TYR 225.A OH no hydrogen 3.386 N/A TYR 225.A N ARG 222.A O no hydrogen 2.914 N/A TYR 225.A OH ASP 212.A OD2 no hydrogen 2.826 N/A TYR 226.A OH CYS 37.A O no hydrogen 3.250 N/A TYR 227.A N SER 81.A OG no hydrogen 3.071 N/A TYR 227.A OH GLU 86.A O no hydrogen 2.920 N/A VAL 229.A N TRP 79.A O no hydrogen 3.104 N/A TYR 230.A N THR 106.A O no hydrogen 2.932 N/A MET 232.A N VAL 71.A O no hydrogen 3.446 N/A VAL 233.A N ILE 104.A O no hydrogen 3.324 N/A VAL 234.A N ASP 13.A OD1 no hydrogen 3.198 N/A ARG 235.A N HIS 102.A O no hydrogen 2.847 N/A GLY 236.A N GLY 12.A O no hydrogen 2.811 N/A ASN 237.A N HIS 99.A O no hydrogen 2.842 N/A CYS 240.A SG CYS 238.A O no hydrogen 3.730 N/A HIS 243.A N CYS 240.A O no hydrogen 2.857 N/A HIS 243.A ND1 HIS 263.A ND1 no hydrogen 2.813 N/A HIS 243.A NE2 ARG 283.A O no hydrogen 2.743 N/A CYS 247.A SG CYS 238.A O no hydrogen 3.961 N/A ALA 248.A N HIS 258.A O no hydrogen 2.520 N/A HIS 258.A N ALA 248.A O no hydrogen 2.868 N/A CYS 259.A SG PHE 239.A O no hydrogen 3.163 N/A CYS 259.A SG LEU 268.A O no hydrogen 3.094 N/A MET 260.A N GLU 246.A O no hydrogen 3.240 N/A CYS 261.A SG CYS 259.A O no hydrogen 4.035 N/A CYS 261.A SG GLY 267.A O no hydrogen 3.376 N/A HIS 263.A ND1 HIS 243.A ND1 no hydrogen 2.813 N/A HIS 263.A NE2 CYS 2.A O no hydrogen 2.977 N/A ASN 264.A ND2 CYS 293.A O no hydrogen 2.712 N/A THR 265.A N ARG 262.A O no hydrogen 3.226 N/A THR 265.A OG1 ARG 262.A O no hydrogen 2.335 N/A LYS 266.A N LEU 272.A O no hydrogen 3.035 N/A LYS 266.A NZ ASP 275.A OD2 no hydrogen 3.133 N/A ASN 269.A N GLU 271.A OE1 no hydrogen 3.106 N/A GLU 271.A N GLU 271.A OE1 no hydrogen 2.490 N/A LEU 272.A N LYS 266.A O no hydrogen 3.197 N/A CYS 273.A SG TYR 277.A O no hydrogen 3.807 N/A MET 274.A N ASN 264.A O no hydrogen 2.809 N/A TYR 277.A N MET 274.A O no hydrogen 3.334 N/A ASP 279.A N LYS 294.A O no hydrogen 2.841 N/A TRP 282.A NE1 CYS 270.A O no hydrogen 2.925 N/A ARG 283.A NE PRO 281.A O no hydrogen 3.231 N/A ALA 285.A N TYR 241.A O no hydrogen 3.155 N/A GLU 286.A N ASN 289.A O no hydrogen 3.028 N/A ASN 289.A N GLU 286.A O no hydrogen 2.695 N/A CYS 293.A N HIS 263.A O no hydrogen 3.278 N/A CYS 293.A SG ASN 264.A O no hydrogen 3.526 N/A LYS 294.A NZ ASP 279.A OD2 no hydrogen 3.166 N/A CYS 296.A N PHE 276.A O no hydrogen 2.839 N/A ASN 299.A N ASN 297.A OD1 no hydrogen 3.254 N/A ASN 299.A ND2 ASN 334.A O no hydrogen 2.894 N/A HIS 301.A ND1 HIS 328.A ND1 no hydrogen 3.017 N/A HIS 301.A NE2 ILE 350.A O no hydrogen 2.846 N/A SER 302.A OG SER 304.A O no hydrogen 3.226 N/A SER 302.A OG ASP 324.A O no hydrogen 2.568 N/A SER 304.A N SER 302.A OG no hydrogen 3.075 N/A CYS 305.A SG HIS 278.A ND1 no hydrogen 4.004 N/A HIS 306.A N VAL 322.A O no hydrogen 2.909 N/A HIS 306.A ND1 ASP 324.A OD1 no hydrogen 2.889 N/A ASP 308.A N GLY 320.A O no hydrogen 2.846 N/A ALA 310.A N ASP 308.A OD1 no hydrogen 2.968 N/A PHE 312.A N ASP 308.A O no hydrogen 3.099 N/A LEU 313.A N MET 309.A O no hydrogen 3.001 N/A ALA 314.A N ALA 310.A O no hydrogen 2.802 N/A THR 315.A N VAL 311.A O no hydrogen 2.976 N/A THR 315.A N PHE 312.A O no hydrogen 3.373 N/A THR 315.A OG1 PHE 312.A O no hydrogen 2.840 N/A THR 315.A OG1 SER 319.A O no hydrogen 3.155 N/A GLY 316.A N LEU 313.A O no hydrogen 2.837 N/A ASN 317.A N PHE 312.A O no hydrogen 2.827 N/A VAL 318.A N THR 315.A OG1 no hydrogen 3.053 N/A SER 319.A N THR 315.A OG1 no hydrogen 3.076 N/A SER 319.A OG ASP 279.A OD1 no hydrogen 2.501 N/A SER 319.A OG ASP 279.A OD2 no hydrogen 3.213 N/A GLY 320.A N ASP 279.A O no hydrogen 2.943 N/A GLY 321.A N ASP 279.A OD1 no hydrogen 3.112 N/A VAL 322.A N HIS 306.A O no hydrogen 2.884 N/A CYS 323.A N ARG 333.A O no hydrogen 2.994 N/A CYS 323.A SG ASN 297.A O no hydrogen 3.605 N/A CYS 323.A SG ARG 333.A O no hydrogen 3.277 N/A ASP 324.A N SER 304.A O no hydrogen 2.557 N/A CYS 326.A SG GLY 332.A O no hydrogen 3.626 N/A GLN 327.A N HIS 301.A O no hydrogen 2.564 N/A HIS 328.A ND1 HIS 301.A ND1 no hydrogen 3.017 N/A THR 330.A N GLN 327.A O no hydrogen 3.245 N/A THR 330.A OG1 GLN 327.A O no hydrogen 2.929 N/A ASN 334.A ND2 ASN 297.A O no hydrogen 3.462 N/A CYS 335.A N GLY 332.A O no hydrogen 2.980 N/A GLU 336.A N GLU 336.A OE1 no hydrogen 2.574 N/A GLN 337.A N MET 331.A O no hydrogen 3.047 N/A LYS 339.A N ASN 329.A O no hydrogen 2.937 N/A PHE 343.A N GLU 357.A O no hydrogen 2.699 N/A GLN 344.A N GLY 374.A O no hydrogen 2.674 N/A HIS 345.A N LEU 355.A O no hydrogen 3.018 N/A ARG 348.A NH2 GLU 357.A OE2 no hydrogen 2.573 N/A ARG 351.A N ASP 349.A OD1 no hydrogen 2.679 N/A ASP 352.A N ASP 349.A O no hydrogen 2.856 N/A ASN 354.A N ASP 352.A OD1 no hydrogen 2.469 N/A LEU 355.A N ASP 352.A O no hydrogen 3.167 N/A CYS 356.A SG ASN 329.A O no hydrogen 3.951 N/A GLU 357.A N PHE 343.A O no hydrogen 2.934 N/A CYS 359.A N PHE 341.A O no hydrogen 2.742 N/A CYS 359.A SG GLY 370.A O no hydrogen 3.735 N/A CYS 361.A SG GLY 370.A O no hydrogen 3.708 N/A ASP 362.A N ARG 397.A O no hydrogen 2.768 N/A ALA 364.A N ASP 362.A OD1 no hydrogen 3.031 N/A SER 366.A N ASP 362.A O no hydrogen 3.004 N/A GLU 367.A N ARG 388.A O no hydrogen 2.548 N/A ILE 371.A N ASN 368.A O no hydrogen 2.844 N/A CYS 372.A SG ASP 373.A O no hydrogen 3.957 N/A ASP 373.A N GLN 386.A O no hydrogen 3.249 N/A ASP 377.A N LEU 382.A O no hydrogen 2.852 N/A VAL 380.A N ASP 377.A O no hydrogen 3.048 N/A GLY 381.A N ASP 377.A O no hydrogen 3.238 N/A GLY 381.A N PHE 378.A O no hydrogen 2.385 N/A LEU 382.A N ASP 377.A O no hydrogen 3.226 N/A ILE 383.A N ASP 373.A OD2 no hydrogen 2.962 N/A ALA 384.A N THR 376.A OG1 no hydrogen 3.245 N/A GLY 385.A N ASP 373.A O no hydrogen 3.255 N/A GLN 386.A NE2 GLY 381.A O no hydrogen 3.557 N/A CYS 387.A SG GLY 385.A O no hydrogen 3.783 N/A CYS 387.A SG GLU 396.A O no hydrogen 3.465 N/A ARG 388.A NH2 GLY 381.A O no hydrogen 3.471 N/A CYS 389.A SG GLY 395.A O no hydrogen 3.608 N/A LYS 390.A N GLY 365.A O no hydrogen 2.930 N/A LYS 390.A NZ ALA 364.A O no hydrogen 2.459 N/A LYS 390.A NZ ALA 410.A O no hydrogen 3.372 N/A LYS 390.A NZ ASP 412.A O no hydrogen 2.670 N/A HIS 392.A N TYR 414.A O no hydrogen 3.090 N/A VAL 393.A N LYS 390.A O no hydrogen 3.347 N/A GLU 394.A N VAL 400.A O no hydrogen 2.965 N/A CYS 398.A N GLY 395.A O no hydrogen 2.890 N/A CYS 398.A SG SER 366.A OG no hydrogen 3.624 N/A CYS 398.A SG GLY 395.A O no hydrogen 3.864 N/A LYS 402.A N HIS 392.A O no hydrogen 3.228 N/A LYS 402.A NZ LEU 391.A O no hydrogen 3.365 N/A PHE 405.A N LYS 402.A O no hydrogen 2.999 N/A TYR 406.A N LYS 417.A O no hydrogen 2.727 N/A ASP 407.A N SER 435.A O no hydrogen 2.995 N/A SER 409.A N GLY 415.A O no hydrogen 3.235 N/A GLU 411.A N SER 409.A OG no hydrogen 3.232 N/A ASP 412.A N SER 409.A O no hydrogen 3.184 N/A TYR 414.A N ASP 412.A OD1 no hydrogen 2.472 N/A GLY 415.A N ASP 412.A O no hydrogen 3.271 N/A CYS 416.A N TYR 414.A O no hydrogen 3.193 N/A CYS 416.A SG HIS 392.A O no hydrogen 3.136 N/A LYS 417.A N TYR 406.A O no hydrogen 2.754 N/A LYS 417.A NZ ASP 407.A OD2 no hydrogen 2.521 N/A CYS 419.A N GLY 404.A O no hydrogen 2.640 N/A ALA 420.A N SER 418.A OG no hydrogen 3.189 N/A CYS 421.A SG PRO 432.A O no hydrogen 3.522 N/A ASN 422.A N ARG 450.A O no hydrogen 2.906 N/A ASN 422.A ND2 CYS 451.A O no hydrogen 2.976 N/A THR 426.A OG1 ASN 422.A O no hydrogen 2.816 N/A ILE 427.A N TYR 441.A O no hydrogen 3.151 N/A CYS 433.A N ASN 431.A OD1 no hydrogen 3.047 N/A CYS 433.A SG ASN 431.A OD1 no hydrogen 3.933 N/A ASP 434.A N TYR 439.A O no hydrogen 3.119 N/A SER 435.A OG GLU 436.A OE2 no hydrogen 3.128 N/A GLU 436.A N ASP 434.A OD1 no hydrogen 3.510 N/A GLY 438.A N ASP 434.A O no hydrogen 2.966 N/A CYS 440.A N GLN 449.A O no hydrogen 2.884 N/A CYS 440.A SG GLN 449.A O no hydrogen 3.081 N/A TYR 441.A N PRO 432.A O no hydrogen 3.010 N/A CYS 442.A SG CYS 440.A O no hydrogen 3.615 N/A LYS 443.A N GLY 425.A O no hydrogen 2.825 N/A VAL 446.A N LYS 443.A O no hydrogen 3.383 N/A THR 447.A N GLN 453.A O no hydrogen 2.847 N/A ARG 450.A NE ALA 420.A O no hydrogen 3.252 N/A CYS 451.A N GLY 448.A O no hydrogen 2.562 N/A GLN 453.A N ASP 452.A OD1 no hydrogen 2.633 N/A