Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wxw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 GLU 16.A OE2 no hydrogen 3.309 N/A HIS 7.A N TYR 5.A O no hydrogen 2.514 N/A PHE 9.A N HIS 7.A ND1 no hydrogen 3.288 N/A HIS 10.A N PRO 8.A O no hydrogen 2.847 N/A HIS 14.A N ARG 142.A O no hydrogen 2.888 N/A ASN 15.A N THR 18.A OG1 no hydrogen 2.870 N/A THR 18.A OG1 ASN 15.A O no hydrogen 2.583 N/A CYS 19.A N ASN 15.A O no hydrogen 2.734 N/A GLU 20.A N GLU 16.A O no hydrogen 2.755 N/A LEU 22.A N THR 18.A O no hydrogen 3.344 N/A ALA 23.A N CYS 19.A O no hydrogen 2.675 N/A LYS 24.A N GLU 20.A O no hydrogen 3.408 N/A LYS 24.A N GLN 21.A O no hydrogen 3.249 N/A ALA 25.A N GLN 21.A O no hydrogen 3.246 N/A PHE 35.A N LEU 187.A O no hydrogen 3.044 N/A ALA 42.A N PRO 39.A O no hydrogen 3.306 N/A THR 44.A OG1 ALA 42.A O no hydrogen 3.408 N/A VAL 47.A N VAL 226.A O no hydrogen 2.916 N/A ALA 51.A N ASP 48.A OD1 no hydrogen 3.089 N/A LEU 52.A N ASP 48.A O no hydrogen 2.905 N/A GLN 53.A N GLU 49.A O no hydrogen 3.134 N/A ASP 54.A N LYS 50.A O no hydrogen 2.999 N/A GLN 55.A N LEU 52.A O no hydrogen 2.962 N/A LEU 56.A N LEU 52.A O no hydrogen 2.956 N/A VAL 57.A N GLN 53.A O no hydrogen 2.889 N/A VAL 59.A N GLN 55.A O no hydrogen 3.080 N/A ALA 60.A N LEU 56.A O no hydrogen 2.960 N/A ALA 61.A N VAL 57.A O no hydrogen 2.753 N/A LYS 62.A N LEU 58.A O no hydrogen 2.763 N/A ASP 64.A N ASP 67.A OD2 no hydrogen 3.278 N/A LYS 68.A N ASP 64.A O no hydrogen 3.128 N/A ARG 70.A N GLU 66.A O no hydrogen 3.145 N/A ALA 71.A N ASP 67.A O no hydrogen 2.767 N/A ALA 72.A N LYS 68.A O no hydrogen 3.008 N/A MET 73.A N LEU 69.A O no hydrogen 2.797 N/A VAL 74.A N ARG 70.A O no hydrogen 2.828 N/A GLY 75.A N ALA 71.A O no hydrogen 3.023 N/A MET 76.A N ALA 72.A O no hydrogen 3.044 N/A LEU 77.A N MET 73.A O no hydrogen 3.082 N/A ALA 78.A N VAL 74.A O no hydrogen 3.148 N/A ASN 79.A N GLY 75.A O no hydrogen 2.898 N/A ASN 79.A ND2 THR 426.A O no hydrogen 3.081 N/A PHE 80.A N MET 76.A O no hydrogen 2.777 N/A LEU 81.A N LEU 77.A O no hydrogen 2.939 N/A GLY 82.A N ALA 78.A O no hydrogen 3.103 N/A PHE 83.A N ASN 79.A O no hydrogen 2.997 N/A ARG 84.A N PHE 80.A O no hydrogen 2.729 N/A ARG 84.A NH2 ILE 129.A O no hydrogen 3.418 N/A ILE 85.A N LEU 81.A O no hydrogen 2.809 N/A TYR 86.A N PHE 83.A O no hydrogen 3.221 N/A TYR 86.A OH GLU 325.A OE2 no hydrogen 2.487 N/A GLY 87.A N ARG 84.A O no hydrogen 2.822 N/A MET 88.A N ILE 85.A O no hydrogen 3.298 N/A HIS 89.A N TYR 86.A O no hydrogen 2.891 N/A SER 90.A OG HIS 89.A O no hydrogen 2.549 N/A SER 90.A OG GLU 91.A OE2 no hydrogen 3.227 N/A VAL 95.A N LEU 92.A O no hydrogen 3.193 N/A HIS 97.A N VAL 95.A O no hydrogen 3.021 N/A ALA 99.A N GLN 355.A O no hydrogen 2.879 N/A THR 100.A OG1 ARG 433.A O no hydrogen 2.762 N/A LEU 102.A N LEU 431.A O no hydrogen 2.938 N/A SER 103.A N TYR 358.A OH no hydrogen 2.935 N/A SER 103.A OG THR 105.A OG1 no hydrogen 3.308 N/A SER 103.A OG HIS 429.A O no hydrogen 2.704 N/A THR 105.A OG1 SER 103.A OG no hydrogen 3.308 N/A ALA 106.A N SER 103.A OG no hydrogen 3.216 N/A VAL 107.A N SER 103.A O no hydrogen 2.693 N/A PHE 108.A N PRO 104.A O no hydrogen 2.897 N/A GLY 109.A N THR 105.A O no hydrogen 2.989 N/A THR 110.A N ALA 106.A O no hydrogen 2.777 N/A THR 110.A OG1 THR 248.A OG1 no hydrogen 3.295 N/A LEU 111.A N VAL 107.A O no hydrogen 2.939 N/A ALA 112.A N PHE 108.A O no hydrogen 2.695 N/A SER 113.A N GLY 109.A O no hydrogen 2.787 N/A SER 113.A OG GLY 109.A O no hydrogen 3.100 N/A SER 113.A OG THR 110.A O no hydrogen 2.615 N/A LEU 114.A N THR 110.A O no hydrogen 3.388 N/A TYR 115.A N LEU 111.A O no hydrogen 3.233 N/A TYR 115.A OH LEU 143.A O no hydrogen 2.560 N/A THR 122.A N ASP 120.A O no hydrogen 2.859 N/A THR 122.A OG1 ASN 378.A O no hydrogen 2.986 N/A ALA 123.A N LEU 119.A O no hydrogen 2.669 N/A ARG 125.A N HIS 121.A O no hydrogen 2.614 N/A LEU 126.A N THR 122.A O no hydrogen 3.076 N/A GLN 127.A N ALA 123.A O no hydrogen 2.771 N/A GLN 127.A NE2 VAL 132.A O no hydrogen 2.715 N/A ILE 129.A N ARG 125.A O no hydrogen 2.912 N/A LEU 130.A N LEU 126.A O no hydrogen 2.759 N/A GLY 131.A N GLN 127.A O no hydrogen 3.372 N/A LYS 135.A NZ ASP 136.A OD1 no hydrogen 3.101 N/A LYS 135.A NZ ASP 136.A OD2 no hydrogen 3.028 N/A SER 141.A OG LYS 135.A O no hydrogen 2.790 N/A ARG 142.A N CYS 139.A O no hydrogen 3.053 N/A LEU 143.A N GLN 127.A OE1 no hydrogen 2.768 N/A ASP 144.A N VAL 12.A O no hydrogen 2.772 N/A LYS 147.A N ASP 144.A OD1 no hydrogen 3.472 N/A VAL 148.A N ASP 144.A O no hydrogen 3.068 N/A LEU 149.A N ALA 145.A O no hydrogen 2.707 N/A SER 150.A N HIS 146.A O no hydrogen 3.296 N/A SER 150.A OG HIS 146.A O no hydrogen 2.803 N/A SER 150.A OG LYS 147.A O no hydrogen 3.307 N/A ALA 151.A N LYS 147.A O no hydrogen 2.813 N/A LEU 152.A N VAL 148.A O no hydrogen 2.996 N/A GLN 153.A N LEU 149.A O no hydrogen 2.922 N/A ALA 154.A N SER 150.A O no hydrogen 3.197 N/A VAL 155.A N ALA 151.A O no hydrogen 3.194 N/A GLN 156.A N GLN 153.A O no hydrogen 3.102 N/A GLN 156.A NE2 TYR 198.A O no hydrogen 3.594 N/A GLY 157.A N GLN 153.A O no hydrogen 3.334 N/A LEU 158.A N ALA 154.A O no hydrogen 2.816 N/A LEU 159.A N VAL 155.A O no hydrogen 3.164 N/A VAL 160.A N GLN 156.A O no hydrogen 3.083 N/A ALA 161.A N LEU 159.A O no hydrogen 2.992 N/A ARG 164.A NH1 THR 305.A O no hydrogen 2.957 N/A ASP 166.A N GLN 162.A O no hydrogen 2.916 N/A SER 167.A N ALA 165.A O no hydrogen 2.688 N/A LEU 172.A N GLN 253.A O no hydrogen 2.960 N/A SER 174.A N HIS 251.A O no hydrogen 2.971 N/A SER 174.A OG GLU 49.A OE2 no hydrogen 2.622 N/A THR 175.A OG1 GLN 156.A OE1 no hydrogen 2.629 N/A VAL 176.A N TYR 249.A O no hydrogen 2.718 N/A VAL 177.A N VAL 201.A O no hydrogen 2.958 N/A GLY 178.A N ASN 247.A O no hydrogen 2.685 N/A VAL 179.A N LEU 203.A O no hydrogen 3.377 N/A PHE 180.A N ALA 245.A O no hydrogen 3.234 N/A LEU 185.A N ALA 182.A O no hydrogen 3.379 N/A HIS 186.A N ASP 385.A OD2 no hydrogen 3.223 N/A LYS 188.A NZ GLN 380.A O no hydrogen 2.738 N/A VAL 192.A N GLN 189.A O no hydrogen 2.745 N/A GLN 193.A N GLN 189.A O no hydrogen 3.169 N/A GLY 194.A N PRO 190.A O no hydrogen 3.094 N/A LEU 195.A N PHE 191.A O no hydrogen 3.036 N/A ALA 196.A N VAL 192.A O no hydrogen 2.995 N/A LEU 197.A N GLN 193.A O no hydrogen 3.326 N/A LEU 197.A N GLY 194.A O no hydrogen 3.050 N/A THR 199.A N LEU 195.A O no hydrogen 2.998 N/A THR 199.A OG1 THR 175.A O no hydrogen 2.530 N/A VAL 202.A N PRO 200.A O no hydrogen 2.927 N/A LEU 203.A N VAL 177.A O no hydrogen 3.023 N/A ARG 205.A NE PRO 204.A O no hydrogen 3.371 N/A SER 206.A N ALA 38.A O no hydrogen 2.653 N/A SER 206.A OG PRO 37.A O no hydrogen 3.043 N/A LEU 207.A N THR 181.A O no hydrogen 3.091 N/A THR 210.A OG1 ASP 208.A OD2 no hydrogen 2.772 N/A ALA 215.A N GLU 211.A O no hydrogen 2.959 N/A ALA 216.A N LEU 212.A O no hydrogen 2.750 N/A GLU 217.A N ASP 213.A O no hydrogen 3.288 N/A LYS 218.A N VAL 214.A O no hydrogen 3.254 N/A ILE 219.A N ALA 215.A O no hydrogen 2.702 N/A ASP 220.A N ALA 216.A O no hydrogen 3.299 N/A ARG 221.A N GLU 217.A O no hydrogen 3.145 N/A PHE 222.A N LYS 218.A O no hydrogen 2.855 N/A MET 223.A N ILE 219.A O no hydrogen 3.318 N/A GLN 224.A N ASP 220.A O no hydrogen 3.034 N/A GLN 224.A NE2 THR 231.A O no hydrogen 3.546 N/A VAL 226.A N PHE 222.A O no hydrogen 2.743 N/A THR 227.A N MET 223.A O no hydrogen 2.526 N/A THR 227.A OG1 MET 223.A O no hydrogen 2.694 N/A TRP 229.A N THR 227.A OG1 no hydrogen 3.300 N/A CYS 233.A N THR 231.A O no hydrogen 2.706 N/A SER 234.A OG TYR 249.A OH no hydrogen 3.198 N/A LEU 235.A N GLU 391.A OE2 no hydrogen 2.846 N/A SER 242.A OG SER 239.A O no hydrogen 3.334 N/A THR 243.A N ARG 388.A O no hydrogen 2.999 N/A THR 243.A OG1 ARG 386.A O no hydrogen 3.443 N/A ASN 247.A N GLY 178.A O no hydrogen 2.744 N/A ASN 247.A ND2 GLU 391.A OE2 no hydrogen 2.777 N/A THR 248.A N LEU 393.A O no hydrogen 2.835 N/A THR 248.A OG1 THR 110.A OG1 no hydrogen 3.295 N/A TYR 249.A N VAL 176.A O no hydrogen 2.801 N/A VAL 250.A N SER 395.A O no hydrogen 2.762 N/A HIS 251.A N SER 174.A O no hydrogen 2.823 N/A PHE 252.A N PHE 397.A O no hydrogen 3.020 N/A GLN 253.A N LEU 172.A O no hydrogen 2.872 N/A MET 256.A N GLU 401.A O no hydrogen 2.805 N/A PHE 268.A N VAL 276.A O no hydrogen 2.961 N/A TRP 269.A N ASN 413.A O no hydrogen 3.012 N/A SER 273.A OG ASP 271.A OD2 no hydrogen 2.664 N/A THR 274.A N ASP 271.A OD2 no hydrogen 2.818 N/A THR 274.A OG1 ASP 271.A OD1 no hydrogen 3.188 N/A THR 274.A OG1 ASP 271.A OD2 no hydrogen 2.726 N/A VAL 276.A N PHE 268.A O no hydrogen 2.762 N/A LEU 281.A N MET 349.A O no hydrogen 2.754 N/A GLY 283.A N LEU 347.A O no hydrogen 2.655 N/A HIS 289.A N SER 341.A O no hydrogen 2.756 N/A GLN 294.A N ASP 292.A OD1 no hydrogen 3.230 N/A PHE 297.A N ASP 292.A O no hydrogen 2.603 N/A SER 298.A OG GLN 314.A O no hydrogen 2.729 N/A THR 300.A N LEU 312.A O no hydrogen 3.288 N/A GLN 301.A NE2 GLN 288.A OE1 no hydrogen 3.229 N/A VAL 302.A N LEU 310.A O no hydrogen 3.255 N/A PHE 304.A N ALA 308.A O no hydrogen 2.660 N/A THR 305.A OG1 PHE 304.A O no hydrogen 2.445 N/A SER 307.A N THR 305.A O no hydrogen 2.484 N/A SER 307.A OG LEU 158.A O no hydrogen 3.213 N/A SER 307.A OG ASP 422.A OD1 no hydrogen 3.177 N/A SER 307.A OG SER 424.A OG no hydrogen 2.944 N/A ALA 308.A N PHE 304.A O no hydrogen 3.155 N/A CYS 309.A N TYR 421.A O no hydrogen 2.763 N/A CYS 309.A SG GLN 301.A OE1 no hydrogen 3.632 N/A CYS 309.A SG GLU 306.A O no hydrogen 3.085 N/A CYS 309.A SG ALA 308.A O no hydrogen 3.285 N/A LEU 311.A N ALA 419.A O no hydrogen 3.038 N/A LEU 312.A N THR 300.A O no hydrogen 2.781 N/A GLN 314.A N SER 298.A O no hydrogen 2.724 N/A HIS 316.A ND1 PHE 297.A O no hydrogen 2.808 N/A SER 319.A OG ASP 320.A OD1 no hydrogen 3.476 N/A LYS 323.A NZ ASP 320.A OD2 no hydrogen 2.897 N/A GLU 325.A N LEU 321.A O no hydrogen 2.434 N/A LEU 327.A N VAL 324.A O no hydrogen 2.878 N/A THR 328.A N GLU 325.A O no hydrogen 2.830 N/A THR 328.A OG1 GLU 325.A O no hydrogen 2.652 N/A PHE 329.A N GLY 326.A O no hydrogen 3.389 N/A GLN 331.A N PHE 329.A O no hydrogen 3.217 N/A SER 333.A N GLN 330.A O no hydrogen 3.071 N/A SER 333.A OG GLN 330.A O no hydrogen 2.616 N/A TRP 336.A N ASN 332.A O no hydrogen 3.134 N/A MET 337.A N SER 333.A O no hydrogen 2.905 N/A ARG 343.A N PHE 287.A O no hydrogen 2.698 N/A THR 344.A OG1 GLU 406.A O no hydrogen 2.674 N/A ILE 345.A N GLY 285.A O no hydrogen 3.292 N/A HIS 346.A N LEU 408.A O no hydrogen 2.850 N/A LEU 347.A N GLY 283.A O no hydrogen 2.740 N/A THR 348.A N VAL 410.A O no hydrogen 3.196 N/A THR 348.A OG1 VAL 410.A O no hydrogen 2.806 N/A THR 348.A OG1 THR 411.A OG1 no hydrogen 3.107 N/A MET 349.A N LEU 281.A O no hydrogen 3.482 N/A LEU 354.A N PHE 398.A O no hydrogen 3.348 N/A SER 357.A N HIS 97.A O no hydrogen 3.009 N/A SER 357.A OG GLY 232.A O no hydrogen 3.022 N/A TYR 358.A N ASN 394.A O no hydrogen 3.038 N/A LEU 360.A N VAL 392.A O no hydrogen 3.015 N/A GLN 361.A NE2 GLY 390.A O no hydrogen 3.192 N/A ASP 362.A N ASP 359.A O no hydrogen 3.050 N/A LEU 363.A N ASP 359.A O no hydrogen 2.714 N/A LEU 364.A N LEU 360.A O no hydrogen 2.672 N/A ALA 367.A N ALA 365.A O no hydrogen 2.646 N/A HIS 374.A N PRO 370.A O no hydrogen 2.537 N/A THR 375.A N ALA 371.A O no hydrogen 3.474 N/A THR 375.A OG1 ALA 371.A O no hydrogen 3.459 N/A THR 375.A OG1 ILE 372.A O no hydrogen 3.274 N/A GLN 380.A N SER 383.A OG no hydrogen 2.798 N/A LYS 381.A N LEU 379.A O no hydrogen 2.589 N/A ARG 388.A N THR 243.A OG1 no hydrogen 2.908 N/A GLY 390.A N LEU 244.A O no hydrogen 3.212 N/A VAL 392.A N ASP 359.A OD2 no hydrogen 2.783 N/A ASN 394.A N TYR 358.A O no hydrogen 3.049 N/A ASN 394.A ND2 TYR 358.A OH no hydrogen 3.173 N/A SER 395.A N THR 248.A O no hydrogen 3.060 N/A ILE 396.A N GLY 356.A O no hydrogen 2.738 N/A PHE 397.A N VAL 250.A O no hydrogen 2.966 N/A PHE 398.A N LEU 354.A O no hydrogen 3.241 N/A GLU 399.A N PHE 252.A O no hydrogen 2.833 N/A LEU 400.A N LEU 352.A O no hydrogen 3.113 N/A GLU 401.A N GLY 254.A O no hydrogen 2.926 N/A LEU 408.A N THR 344.A O no hydrogen 3.067 N/A VAL 410.A N HIS 346.A O no hydrogen 3.130 N/A THR 411.A OG1 THR 348.A OG1 no hydrogen 3.107 N/A LEU 412.A N THR 348.A O no hydrogen 3.243 N/A LEU 417.A N ILE 313.A O no hydrogen 2.949 N/A PHE 418.A N GLY 432.A O no hydrogen 3.186 N/A ALA 419.A N LEU 311.A O no hydrogen 2.885 N/A TYR 421.A N CYS 309.A O no hydrogen 2.819 N/A ASP 422.A N ALA 427.A O no hydrogen 2.843 N/A GLN 423.A N SER 307.A O no hydrogen 2.586 N/A SER 424.A N ASP 422.A OD1 no hydrogen 2.792 N/A SER 424.A OG LEU 158.A O no hydrogen 3.366 N/A SER 424.A OG SER 307.A OG no hydrogen 2.944 N/A SER 424.A OG ASP 422.A OD1 no hydrogen 2.514 N/A SER 424.A OG ASP 422.A OD2 no hydrogen 3.160 N/A THR 426.A N GLN 423.A O no hydrogen 3.237 N/A ALA 427.A N ASP 422.A O no hydrogen 3.026 N/A LEU 428.A N ASN 79.A OD1 no hydrogen 3.142 N/A LEU 431.A N LEU 102.A O no hydrogen 3.029 N/A GLY 432.A N PHE 418.A O no hydrogen 3.124 N/A ARG 433.A N THR 100.A O no hydrogen 2.876 N/A VAL 434.A N PHE 416.A O no hydrogen 3.142 N/A