Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pgw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N ALA 26.A O no hydrogen 3.095 N/A GLU 4.A N TYR 7.A OH no hydrogen 2.992 N/A TYR 7.A N LYS 95.A O no hydrogen 2.923 N/A VAL 9.A N ILE 97.A O no hydrogen 2.771 N/A VAL 11.A N ASN 99.A O no hydrogen 2.660 N/A GLU 13.A N ILE 101.A O no hydrogen 3.157 N/A ASN 14.A N LEU 68.A O no hydrogen 3.004 N/A ASN 14.A ND2 ASP 105.A OD2 no hydrogen 2.724 N/A SER 15.A N LEU 12.A O no hydrogen 3.302 N/A SER 15.A OG LEU 12.A O no hydrogen 2.408 N/A ASN 18.A N VAL 64.A O no hydrogen 2.782 N/A THR 19.A OG1 PRO 16.A O no hydrogen 2.591 N/A VAL 21.A N ILE 62.A O no hydrogen 2.956 N/A ILE 22.A N ILE 62.A O no hydrogen 3.449 N/A LEU 24.A N GLY 60.A O no hydrogen 3.042 N/A ALA 26.A N TYR 39.A OH no hydrogen 2.778 N/A THR 27.A OG1 VAL 1.A O no hydrogen 2.511 N/A THR 27.A OG1 ASP 3.A OD1 no hydrogen 2.349 N/A ASP 28.A N ASN 25.A OD1 no hydrogen 3.149 N/A ASP 30.A N ASP 30.A OD1 no hydrogen 2.321 N/A THR 33.A OG1 GLY 32.A O no hydrogen 2.431 N/A GLY 35.A N ASP 84.A OD2 no hydrogen 2.821 N/A TYR 39.A N PRO 57.A O no hydrogen 2.679 N/A ILE 42.A N ASP 79.A O no hydrogen 2.907 N/A ASN 43.A N ASP 79.A O no hydrogen 3.258 N/A PHE 44.A N ASN 43.A OD1 no hydrogen 2.781 N/A VAL 45.A N GLU 77.A O no hydrogen 3.310 N/A THR 49.A N SER 46.A O no hydrogen 3.203 N/A THR 49.A OG1 SER 46.A O no hydrogen 3.288 N/A THR 49.A OG1 HIS 76.A ND1 no hydrogen 2.660 N/A LYS 50.A N ASN 47.A O no hydrogen 2.894 N/A GLN 51.A N LEU 48.A O no hydrogen 3.322 N/A MET 52.A N THR 49.A O no hydrogen 3.186 N/A LYS 54.A N THR 63.A O no hydrogen 2.759 N/A LYS 54.A NZ ASN 18.A OD1 no hydrogen 3.228 N/A LYS 54.A NZ ASN 65.A OD1 no hydrogen 2.783 N/A ASP 56.A N VAL 61.A O no hydrogen 3.400 N/A LYS 58.A N ASP 56.A OD1 no hydrogen 3.189 N/A THR 59.A N ASP 56.A OD1 no hydrogen 3.516 N/A GLY 60.A N ASP 56.A O no hydrogen 3.127 N/A ILE 62.A N ILE 22.A O no hydrogen 2.930 N/A THR 63.A N LYS 54.A O no hydrogen 2.761 N/A VAL 64.A N THR 19.A O no hydrogen 3.086 N/A ASN 65.A N MET 52.A O no hydrogen 2.762 N/A HIS 70.A ND1 VAL 100.A O no hydrogen 3.152 N/A HIS 70.A NE2 SER 142.A OG no hydrogen 3.114 N/A GLU 71.A N ASP 69.A OD1 no hydrogen 3.357 N/A GLU 72.A N ASP 69.A O no hydrogen 2.737 N/A LEU 73.A N ASP 69.A O no hydrogen 2.856 N/A HIS 76.A N VAL 98.A O no hydrogen 2.904 N/A HIS 76.A ND1 THR 49.A OG1 no hydrogen 2.660 N/A ILE 78.A N VAL 96.A O no hydrogen 2.719 N/A ASP 79.A N ASN 43.A O no hydrogen 2.797 N/A VAL 80.A N CYS 94.A O no hydrogen 3.086 N/A GLN 81.A N SER 40.A O no hydrogen 2.853 N/A ALA 82.A N ALA 92.A O no hydrogen 2.921 N/A LYS 83.A N VAL 38.A O no hydrogen 3.126 N/A SER 89.A OG ILE 90.A O no hydrogen 3.214 N/A ALA 92.A N ALA 82.A O no hydrogen 3.207 N/A CYS 94.A N VAL 80.A O no hydrogen 3.065 N/A LYS 95.A N PRO 5.A O no hydrogen 3.084 N/A LYS 95.A NZ GLU 77.A OE2 no hydrogen 2.646 N/A VAL 96.A N ILE 78.A O no hydrogen 2.813 N/A ILE 97.A N TYR 7.A O no hydrogen 2.786 N/A VAL 98.A N HIS 76.A O no hydrogen 2.833 N/A ASN 99.A N VAL 9.A O no hydrogen 2.601 N/A ASN 99.A ND2 VAL 9.A O no hydrogen 3.612 N/A ASN 99.A ND2 ASN 10.A OD1 no hydrogen 3.480 N/A VAL 100.A N HIS 74.A O no hydrogen 2.581 N/A ILE 101.A N VAL 11.A O no hydrogen 2.932 N/A ILE 103.A N GLU 13.A OE1 no hydrogen 2.845 N/A ASN 104.A ND2 ASP 191.A OD1 no hydrogen 3.215 N/A ASN 104.A ND2 PRO 195.A O no hydrogen 3.670 N/A ASP 105.A N ILE 103.A O no hydrogen 3.044 N/A ASN 106.A N ASP 141.A OD2 no hydrogen 3.282 N/A ASN 106.A ND2 ASP 141.A OD1 no hydrogen 2.940 N/A GLU 109.A N SER 138.A O no hydrogen 2.683 N/A LYS 111.A N ARG 136.A O no hydrogen 3.037 N/A LYS 111.A NZ GLU 109.A OE2 no hydrogen 2.937 N/A LEU 113.A N LEU 134.A O no hydrogen 2.676 N/A SER 114.A OG ASN 116.A O no hydrogen 3.481 N/A SER 117.A OG GLU 115.A O no hydrogen 3.364 N/A MET 119.A N ASN 116.A O no hydrogen 2.959 N/A VAL 122.A N LYS 206.A O no hydrogen 3.149 N/A GLU 124.A N THR 208.A O no hydrogen 2.993 N/A ASN 125.A N LEU 175.A O no hydrogen 2.533 N/A ALA 126.A N SER 123.A O no hydrogen 3.094 N/A GLY 129.A N VAL 171.A O no hydrogen 2.863 N/A ILE 132.A N LEU 169.A O no hydrogen 2.900 N/A LEU 134.A N LEU 113.A O no hydrogen 3.199 N/A ARG 136.A N LYS 111.A O no hydrogen 2.679 N/A SER 138.A N GLU 109.A O no hydrogen 2.952 N/A ASP 141.A N ASP 139.A OD1 no hydrogen 3.094 N/A SER 142.A N ASP 102.A OD2 no hydrogen 3.041 N/A SER 142.A OG HIS 70.A NE2 no hydrogen 3.114 N/A GLY 146.A N GLY 143.A O no hydrogen 2.731 N/A LYS 147.A N GLY 143.A O no hydrogen 3.021 N/A LYS 147.A N ALA 144.A O no hydrogen 3.219 N/A ARG 151.A N LEU 188.A O no hydrogen 2.908 N/A ARG 159.A N LEU 170.A O no hydrogen 3.408 N/A ASN 161.A N THR 168.A O no hydrogen 2.932 N/A PHE 163.A N PHE 166.A O no hydrogen 2.718 N/A SER 167.A N VAL 135.A O no hydrogen 3.201 N/A THR 168.A N ASN 161.A O no hydrogen 3.269 N/A THR 168.A OG1 ASN 161.A O no hydrogen 3.540 N/A LEU 169.A N ALA 133.A O no hydrogen 3.060 N/A LEU 170.A N ARG 159.A O no hydrogen 3.014 N/A VAL 171.A N TYR 130.A O no hydrogen 3.186 N/A ASP 172.A N PRO 157.A O no hydrogen 2.844 N/A ARG 177.A N GLU 124.A OE2 no hydrogen 2.964 N/A ARG 177.A NH2 VAL 207.A O no hydrogen 2.381 N/A GLN 179.A N ASP 176.A O no hydrogen 3.287 N/A ARG 180.A N ASP 176.A O no hydrogen 2.774 N/A ARG 180.A NE MET 182.A O no hydrogen 3.225 N/A TYR 183.A N VAL 205.A O no hydrogen 2.991 N/A LEU 185.A N PHE 203.A O no hydrogen 2.988 N/A ILE 187.A N LYS 201.A O no hydrogen 2.919 N/A LEU 188.A N ARG 151.A O no hydrogen 3.101 N/A ALA 189.A N SER 199.A O no hydrogen 2.644 N/A GLU 190.A N GLN 149.A O no hydrogen 3.325 N/A ASP 191.A N LEU 197.A O no hydrogen 2.723 N/A SER 192.A OG LYS 147.A O no hydrogen 2.908 N/A GLY 193.A N ASP 191.A OD1 no hydrogen 3.416 N/A LEU 197.A N ASP 191.A OD1 no hydrogen 2.546 N/A SER 199.A N ALA 189.A O no hydrogen 2.557 N/A SER 199.A OG PRO 108.A O no hydrogen 2.770 N/A LYS 201.A N ILE 187.A O no hydrogen 2.951 N/A PHE 203.A N LEU 185.A O no hydrogen 3.049 N/A VAL 205.A N TYR 183.A O no hydrogen 2.773 N/A LYS 206.A N VAL 120.A O no hydrogen 2.947 N/A VAL 207.A N ASP 181.A O no hydrogen 3.098 N/A THR 208.A N VAL 122.A O no hydrogen 2.585 N/A GLU 210.A N GLU 124.A OE1 no hydrogen 2.686 N/A ASN 211.A ND2 PRO 304.A O no hydrogen 3.632 N/A TYR 216.A N ARG 242.A O no hydrogen 2.720 N/A THR 218.A N SER 240.A O no hydrogen 3.186 N/A THR 218.A OG1 SER 240.A O no hydrogen 3.300 N/A LYS 219.A N TYR 222.A OH no hydrogen 3.213 N/A HIS 221.A ND1 THR 311.A OG1 no hydrogen 2.514 N/A TYR 222.A N THR 311.A O no hydrogen 2.777 N/A ALA 224.A N ARG 313.A O no hydrogen 3.097 N/A VAL 226.A N VAL 315.A O no hydrogen 2.915 N/A GLU 228.A N LEU 317.A O no hydrogen 3.364 N/A ASN 229.A N PHE 284.A O no hydrogen 2.806 N/A ASN 229.A ND2 ASP 321.A OD2 no hydrogen 3.070 N/A ASN 230.A ND2 LEU 227.A O no hydrogen 3.667 N/A GLY 233.A N GLY 280.A O no hydrogen 2.517 N/A LEU 236.A N ILE 278.A O no hydrogen 2.621 N/A LEU 237.A N ILE 278.A O no hydrogen 3.396 N/A VAL 239.A N GLY 276.A O no hydrogen 2.374 N/A ALA 241.A N TYR 254.A OH no hydrogen 2.795 N/A ARG 242.A N TYR 216.A O no hydrogen 3.036 N/A ASP 245.A N ASP 243.A OD1 no hydrogen 2.775 N/A LEU 246.A N ASP 209.A OD2 no hydrogen 2.695 N/A ASN 249.A N LEU 246.A O no hydrogen 3.196 N/A ASN 249.A ND2 GLY 301.A O no hydrogen 2.657 N/A GLY 250.A N GLY 247.A O no hydrogen 2.467 N/A THR 251.A N MET 248.A O no hydrogen 3.450 N/A THR 251.A OG1 MET 248.A O no hydrogen 3.392 N/A SER 253.A N LYS 299.A O no hydrogen 2.970 N/A GLU 255.A N SER 297.A O no hydrogen 2.981 N/A ILE 257.A N LYS 295.A O no hydrogen 3.254 N/A SER 259.A OG ILE 257.A O no hydrogen 3.343 N/A VAL 266.A N SER 259.A O no hydrogen 2.934 N/A GLU 267.A N SER 265.A OG no hydrogen 3.235 N/A SER 268.A OG SER 265.A O no hydrogen 2.705 N/A TYR 269.A N VAL 266.A O no hydrogen 2.816 N/A VAL 270.A N VAL 266.A O no hydrogen 2.439 N/A THR 271.A N TYR 279.A O no hydrogen 3.072 N/A ASN 273.A N GLU 277.A O no hydrogen 2.575 N/A ASN 273.A ND2 GLU 277.A OE1 no hydrogen 3.060 N/A GLY 276.A N ASN 273.A O no hydrogen 3.173 N/A ILE 278.A N LEU 237.A O no hydrogen 2.656 N/A TYR 279.A N THR 271.A O no hydrogen 3.210 N/A TYR 279.A OH GLU 277.A OE1 no hydrogen 3.177 N/A GLY 280.A N ALA 234.A O no hydrogen 3.070 N/A VAL 281.A N TYR 269.A O no hydrogen 3.365 N/A ARG 282.A NE SER 268.A O no hydrogen 2.811 N/A ARG 282.A NH1 SER 268.A O no hydrogen 3.497 N/A ARG 282.A NH1 SER 268.A OG no hydrogen 3.391 N/A HIS 286.A ND1 VAL 316.A O no hydrogen 2.798 N/A GLU 287.A N ASN 285.A OD1 no hydrogen 3.034 N/A ASP 288.A N ASN 285.A O no hydrogen 2.579 N/A THR 289.A N ASN 285.A O no hydrogen 2.955 N/A THR 289.A OG1 ASP 288.A O no hydrogen 2.843 N/A PHE 292.A N ILE 314.A O no hydrogen 3.374 N/A PHE 294.A N VAL 312.A O no hydrogen 2.785 N/A VAL 296.A N ALA 310.A O no hydrogen 2.866 N/A SER 297.A N GLU 255.A O no hydrogen 2.585 N/A SER 297.A OG GLU 255.A O no hydrogen 3.135 N/A SER 297.A OG GLU 255.A OE1 no hydrogen 2.277 N/A ALA 298.A N SER 308.A O no hydrogen 2.824 N/A LYS 299.A N SER 253.A O no hydrogen 3.031 N/A LEU 306.A N ASP 300.A OD1 no hydrogen 2.657 N/A SER 308.A N ALA 298.A O no hydrogen 3.130 N/A SER 308.A OG PRO 215.A O no hydrogen 2.738 N/A ALA 310.A N VAL 296.A O no hydrogen 3.078 N/A THR 311.A N PRO 220.A O no hydrogen 2.840 N/A THR 311.A OG1 PRO 220.A O no hydrogen 3.351 N/A THR 311.A OG1 HIS 221.A ND1 no hydrogen 2.514 N/A VAL 312.A N PHE 294.A O no hydrogen 2.596 N/A ARG 313.A N TYR 222.A O no hydrogen 2.955 N/A ILE 314.A N PHE 292.A O no hydrogen 3.022 N/A VAL 315.A N ALA 224.A O no hydrogen 3.139 N/A VAL 316.A N ARG 290.A O no hydrogen 2.784 N/A LEU 317.A N VAL 226.A O no hydrogen 2.881 N/A VAL 319.A N GLU 228.A OE1 no hydrogen 3.144 N/A ASN 320.A ND2 ASP 409.A OD1 no hydrogen 3.333 N/A ASN 320.A ND2 THR 413.A O no hydrogen 3.087 N/A ASP 321.A N VAL 319.A O no hydrogen 2.794 N/A ASN 322.A N ASP 359.A OD2 no hydrogen 3.214 N/A ASN 322.A ND2 ASP 359.A OD1 no hydrogen 2.838 N/A VAL 325.A N ASP 356.A O no hydrogen 2.794 N/A THR 327.A N LYS 354.A O no hydrogen 2.885 N/A THR 327.A OG1 ASP 356.A OD2 no hydrogen 3.566 N/A THR 328.A N LYS 354.A O no hydrogen 3.119 N/A THR 328.A OG1 LYS 354.A O no hydrogen 3.521 N/A VAL 332.A N THR 335.A O no hydrogen 3.081 N/A THR 335.A OG1 VAL 332.A O no hydrogen 3.034 N/A ALA 336.A N TYR 420.A O no hydrogen 3.055 N/A VAL 338.A N VAL 422.A O no hydrogen 2.934 N/A LYS 342.A N SER 426.A O no hydrogen 3.039 N/A ALA 344.A N PRO 341.A O no hydrogen 3.247 N/A GLY 347.A N THR 389.A O no hydrogen 2.794 N/A GLY 347.A N THR 389.A OG1 no hydrogen 3.021 N/A VAL 350.A N VAL 387.A O no hydrogen 2.774 N/A GLN 352.A NE2 ASN 384.A O no hydrogen 3.654 N/A ILE 353.A N GLY 385.A O no hydrogen 2.800 N/A LYS 354.A N THR 328.A O no hydrogen 2.902 N/A LYS 354.A NZ ALA 355.A O no hydrogen 2.674 N/A ALA 355.A N TYR 368.A OH no hydrogen 3.014 N/A ASP 356.A N VAL 325.A O no hydrogen 2.909 N/A ASP 359.A N ASP 357.A OD1 no hydrogen 3.117 N/A GLU 360.A N ASP 318.A OD2 no hydrogen 3.152 N/A GLY 364.A N GLY 361.A O no hydrogen 2.501 N/A ARG 365.A N GLU 362.A O no hydrogen 3.041 N/A ARG 365.A NH2 GLU 362.A OE1 no hydrogen 2.966 N/A THR 367.A N HIS 408.A O no hydrogen 3.170 N/A THR 367.A OG1 HIS 410.A NE2 no hydrogen 2.652 N/A TYR 368.A N GLN 382.A O no hydrogen 3.011 N/A SER 369.A N VAL 406.A O no hydrogen 2.976 N/A SER 371.A N THR 404.A O no hydrogen 2.704 N/A SER 371.A OG THR 404.A O no hydrogen 2.804 N/A ASP 374.A N GLN 402.A O no hydrogen 2.731 N/A MET 375.A N GLY 373.A O no hydrogen 2.583 N/A TYR 377.A N ASP 374.A O no hydrogen 3.322 N/A GLU 379.A N ARG 388.A O no hydrogen 2.920 N/A ASP 381.A N GLU 386.A O no hydrogen 3.196 N/A GLN 382.A NE2 ILE 380.A O no hydrogen 3.199 N/A ILE 383.A N ASP 381.A OD2 no hydrogen 3.281 N/A ASN 384.A N ASP 381.A OD2 no hydrogen 2.521 N/A GLY 385.A N ASP 381.A O no hydrogen 2.952 N/A VAL 387.A N THR 351.A O no hydrogen 2.931 N/A ARG 388.A N GLU 379.A O no hydrogen 2.955 N/A ARG 388.A NE GLY 347.A O no hydrogen 2.734 N/A ARG 388.A NH2 GLY 347.A O no hydrogen 3.528 N/A THR 389.A N TYR 348.A O no hydrogen 2.960 N/A THR 389.A OG1 GLY 345.A O no hydrogen 2.711 N/A THR 390.A N TYR 377.A O no hydrogen 3.214 N/A THR 390.A OG1 ALA 376.A O no hydrogen 2.692 N/A LYS 398.A NZ ASP 374.A OD1 no hydrogen 2.879 N/A TYR 401.A N ILE 423.A O no hydrogen 2.824 N/A TYR 401.A OH LYS 398.A O no hydrogen 3.044 N/A GLN 402.A N ASP 374.A OD2 no hydrogen 3.002 N/A ILE 403.A N ILE 421.A O no hydrogen 2.989 N/A THR 404.A N GLU 372.A O no hydrogen 3.209 N/A THR 404.A OG1 GLU 372.A OE1 no hydrogen 3.321 N/A THR 404.A OG1 GLN 402.A OE1 no hydrogen 3.064 N/A VAL 405.A N ALA 419.A O no hydrogen 2.834 N/A VAL 406.A N SER 369.A O no hydrogen 2.844 N/A ALA 407.A N ALA 417.A O no hydrogen 3.175 N/A HIS 408.A N THR 367.A O no hydrogen 3.185 N/A ASP 409.A N LEU 415.A O no hydrogen 2.933 N/A HIS 410.A N GLU 362.A O no hydrogen 3.186 N/A HIS 410.A NE2 THR 367.A OG1 no hydrogen 2.652 N/A ALA 417.A N ALA 407.A O no hydrogen 3.212 N/A ALA 419.A N VAL 405.A O no hydrogen 2.759 N/A TYR 420.A N GLY 334.A O no hydrogen 3.161 N/A ILE 421.A N ILE 403.A O no hydrogen 2.717 N/A VAL 422.A N ALA 336.A O no hydrogen 2.843 N/A ILE 423.A N TYR 401.A O no hydrogen 2.736 N/A TYR 424.A N VAL 338.A O no hydrogen 2.802 N/A TYR 424.A OH GLU 337.A OE2 no hydrogen 3.187 N/A LEU 425.A N PRO 399.A O no hydrogen 3.184 N/A SER 426.A N ILE 340.A O no hydrogen 2.667 N/A