Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7n1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A N ILE 282.A O no hydrogen 3.307 N/A HIS 3.A N PHE 280.A O no hydrogen 3.344 N/A THR 5.A N LEU 278.A O no hydrogen 3.330 N/A THR 6.A N THR 5.A OG1 no hydrogen 2.737 N/A MET 7.A N ILE 276.A O no hydrogen 3.107 N/A SER 9.A N GLY 274.A O no hydrogen 3.210 N/A SER 9.A OG VAL 273.A O no hydrogen 3.564 N/A GLN 10.A N PRO 8.A O no hydrogen 2.934 N/A GLY 12.A N PRO 33.A O no hydrogen 2.480 N/A SER 14.A OG THR 32.A OG1 no hydrogen 2.816 N/A TYR 15.A N ILE 31.A O no hydrogen 3.019 N/A THR 17.A N ILE 29.A O no hydrogen 3.036 N/A VAL 19.A N LEU 27.A O no hydrogen 3.178 N/A TYR 24.A N ARG 21.A O no hydrogen 3.220 N/A ALA 25.A N THR 288.A O no hydrogen 3.029 N/A LEU 27.A N VAL 19.A O no hydrogen 3.027 N/A ILE 29.A N THR 17.A O no hydrogen 2.869 N/A SER 30.A N THR 136.A O no hydrogen 2.884 N/A SER 30.A OG ASN 16.A OD1 no hydrogen 2.771 N/A ILE 31.A N TYR 15.A O no hydrogen 3.192 N/A THR 32.A N ASN 134.A O no hydrogen 2.762 N/A THR 32.A OG1 SER 14.A OG no hydrogen 2.816 N/A THR 34.A N PHE 132.A O no hydrogen 3.046 N/A THR 34.A OG1 PHE 132.A O no hydrogen 3.127 N/A LYS 35.A N PHE 132.A O no hydrogen 3.449 N/A LYS 37.A N GLN 130.A O no hydrogen 2.610 N/A LEU 38.A N ALA 268.A O no hydrogen 2.417 N/A ILE 39.A N SER 128.A O no hydrogen 2.768 N/A THR 41.A OG1 THR 126.A O no hydrogen 3.105 N/A ASN 43.A N LYS 123.A O no hydrogen 3.153 N/A GLU 45.A N ALA 121.A O no hydrogen 3.023 N/A TYR 46.A OH PRO 190.A O no hydrogen 2.614 N/A VAL 47.A N SER 205.A O no hydrogen 2.780 N/A THR 48.A N ALA 119.A O no hydrogen 2.881 N/A THR 48.A OG1 ILE 203.A O no hydrogen 2.829 N/A CYS 49.A SG HIS 50.A O no hydrogen 3.565 N/A LYS 52.A N MET 109.A O no hydrogen 3.046 N/A THR 53.A OG1 GLN 235.A OE1 no hydrogen 2.349 N/A ASP 56.A N LYS 105.A O no hydrogen 2.892 N/A SER 57.A N ASP 56.A OD1 no hydrogen 2.643 N/A ALA 59.A N VAL 103.A O no hydrogen 2.886 N/A LYS 61.A N THR 101.A O no hydrogen 2.793 N/A CYS 63.A N ASN 100.A OD1 no hydrogen 3.123 N/A SER 65.A OG GLN 66.A O no hydrogen 3.415 N/A ARG 73.A NH1 TYR 72.A O no hydrogen 2.876 N/A GLU 76.A N ARG 73.A O no hydrogen 3.219 N/A GLN 77.A N ALA 106.A O no hydrogen 2.978 N/A GLN 77.A NE2 ASP 75.A OD1 no hydrogen 3.444 N/A CYS 78.A SG SER 104.A O no hydrogen 3.943 N/A LYS 79.A N SER 104.A O no hydrogen 3.236 N/A PHE 81.A N GLN 102.A O no hydrogen 3.073 N/A GLY 83.A N ASN 100.A O no hydrogen 3.179 N/A MET 88.A N GLY 91.A O no hydrogen 2.949 N/A GLY 91.A N MET 88.A O no hydrogen 3.053 N/A TYR 93.A N PRO 86.A O no hydrogen 2.721 N/A CYS 94.A SG CYS 96.A O no hydrogen 3.827 N/A CYS 94.A SG ASN 100.A OD1 no hydrogen 3.443 N/A ASN 100.A ND2 VAL 84.A O no hydrogen 2.841 N/A ASN 100.A ND2 CYS 96.A O no hydrogen 2.353 N/A THR 101.A N LYS 61.A O no hydrogen 3.182 N/A THR 101.A OG1 GLY 64.A O no hydrogen 2.967 N/A GLN 102.A N PHE 81.A O no hydrogen 2.773 N/A VAL 103.A N ALA 59.A O no hydrogen 2.863 N/A SER 104.A N LYS 79.A O no hydrogen 3.242 N/A SER 104.A OG GLN 102.A OE1 no hydrogen 2.667 N/A ALA 106.A N GLN 77.A O no hydrogen 3.056 N/A TYR 107.A N GLY 54.A O no hydrogen 2.551 N/A VAL 108.A N PRO 74.A O no hydrogen 3.131 N/A MET 109.A N LYS 52.A O no hydrogen 3.056 N/A SER 111.A OG HIS 50.A NE2 no hydrogen 2.922 N/A ASP 113.A N SER 111.A OG no hydrogen 3.299 N/A CYS 114.A N SER 111.A O no hydrogen 3.086 N/A ALA 116.A N ASP 113.A O no hydrogen 3.224 N/A ASP 117.A N ASP 113.A O no hydrogen 3.066 N/A ALA 119.A N THR 48.A O no hydrogen 2.792 N/A GLU 120.A N GLN 179.A O no hydrogen 3.274 N/A ALA 121.A N TYR 46.A O no hydrogen 2.941 N/A TYR 122.A N ILE 177.A O no hydrogen 2.634 N/A TYR 122.A OH GLU 120.A OE1 no hydrogen 2.584 N/A LYS 123.A N ASN 43.A O no hydrogen 3.124 N/A LYS 123.A NZ GLU 191.A OE1 no hydrogen 2.673 N/A LYS 123.A NZ GLU 191.A OE2 no hydrogen 3.159 N/A ALA 124.A N ARG 175.A O no hydrogen 2.930 N/A HIS 125.A N THR 41.A O no hydrogen 3.313 N/A HIS 125.A ND1 THR 126.A OG1 no hydrogen 3.322 N/A THR 126.A OG1 HIS 125.A ND1 no hydrogen 3.322 N/A SER 128.A N ILE 39.A O no hydrogen 3.089 N/A GLN 130.A N LYS 37.A O no hydrogen 2.514 N/A ALA 131.A N VAL 146.A O no hydrogen 2.988 N/A PHE 132.A N LYS 35.A O no hydrogen 2.686 N/A LEU 133.A N THR 144.A O no hydrogen 3.095 N/A ASN 134.A N THR 32.A O no hydrogen 3.005 N/A THR 136.A N SER 30.A O no hydrogen 2.769 N/A THR 136.A OG1 SER 141.A OG no hydrogen 3.109 N/A GLY 138.A N PRO 28.A O no hydrogen 3.369 N/A HIS 140.A ND1 VAL 137.A O no hydrogen 2.820 N/A SER 141.A OG THR 136.A OG1 no hydrogen 3.109 N/A THR 144.A N LEU 133.A O no hydrogen 3.119 N/A VAL 146.A N ALA 131.A O no hydrogen 3.149 N/A VAL 148.A N VAL 129.A O no hydrogen 3.024 N/A VAL 154.A N ILE 161.A O no hydrogen 3.194 N/A PHE 156.A N VAL 159.A O no hydrogen 3.152 N/A VAL 159.A N PHE 156.A O no hydrogen 3.069 N/A LYS 160.A N ASP 281.A O no hydrogen 3.040 N/A LYS 160.A NZ ASP 281.A OD2 no hydrogen 3.427 N/A ILE 161.A N VAL 154.A O no hydrogen 2.990 N/A THR 162.A N ALA 279.A O no hydrogen 2.774 N/A GLY 164.A N PRO 277.A O no hydrogen 2.798 N/A SER 167.A N SER 275.A O no hydrogen 3.438 N/A SER 167.A OG SER 275.A O no hydrogen 3.237 N/A THR 171.A OG1 PHE 173.A O no hydrogen 3.388 N/A ARG 175.A N ASP 174.A OD1 no hydrogen 2.677 N/A LYS 176.A NZ ASP 188.A OD1 no hydrogen 2.538 N/A LYS 176.A NZ PHE 189.A O no hydrogen 2.535 N/A LYS 176.A NZ GLU 191.A OE2 no hydrogen 3.289 N/A ILE 177.A N TYR 122.A O no hydrogen 2.812 N/A VAL 178.A N TYR 185.A O no hydrogen 3.245 N/A GLN 179.A N GLU 120.A O no hydrogen 3.055 N/A TYR 180.A N GLU 183.A O no hydrogen 2.867 N/A GLU 183.A N TYR 180.A O no hydrogen 2.777 N/A TYR 185.A N VAL 178.A O no hydrogen 2.893 N/A TYR 185.A OH GLU 183.A OE1 no hydrogen 2.244 N/A ASN 186.A ND2 ASP 174.A OD2 no hydrogen 3.344 N/A PHE 189.A N TYR 187.A O no hydrogen 2.904 N/A GLY 193.A N GLN 204.A OE1 no hydrogen 3.127 N/A ALA 194.A N GLU 191.A O no hydrogen 2.923 N/A GLN 196.A NE2 ALA 194.A O no hydrogen 2.959 N/A ALA 199.A N GLN 196.A O no hydrogen 3.334 N/A ILE 203.A N ASP 202.A OD1 no hydrogen 2.674 N/A GLN 204.A N TYR 214.A O no hydrogen 2.972 N/A GLN 204.A NE2 GLY 201.A O no hydrogen 2.900 N/A SER 205.A N VAL 47.A O no hydrogen 2.953 N/A SER 205.A OG THR 207.A O no hydrogen 2.569 N/A ARG 206.A NH1 LEU 44.A O no hydrogen 3.255 N/A ARG 206.A NH1 ARG 206.A O no hydrogen 3.453 N/A SER 210.A N THR 207.A O no hydrogen 3.362 N/A SER 210.A OG ASP 212.A O no hydrogen 3.045 N/A TYR 214.A N GLN 204.A O no hydrogen 2.913 N/A TYR 214.A OH GLY 195.A O no hydrogen 3.333 N/A ASN 216.A N ASP 202.A O no hydrogen 3.163 N/A ASN 216.A ND2 GLY 195.A O no hydrogen 2.955 N/A ASN 216.A ND2 TYR 214.A OH no hydrogen 3.240 N/A THR 217.A N ASP 75.A OD2 no hydrogen 3.215 N/A THR 217.A OG1 ASP 75.A OD2 no hydrogen 2.369 N/A VAL 220.A N THR 234.A O no hydrogen 2.949 N/A GLN 222.A NE2 THR 234.A OG1 no hydrogen 2.467 N/A LYS 225.A N HIS 230.A NE2 no hydrogen 3.036 N/A ALA 228.A N LYS 225.A O no hydrogen 3.200 N/A ALA 236.A N THR 217.A O no hydrogen 3.039 N/A GLY 239.A N ASP 202.A OD2 no hydrogen 2.845 N/A GLN 242.A N SER 238.A O no hydrogen 3.248 N/A GLN 242.A NE2 ASP 246.A OD2 no hydrogen 2.404 N/A TRP 243.A N GLY 239.A O no hydrogen 2.891 N/A LYS 244.A N PHE 240.A O no hydrogen 2.872 N/A LYS 245.A N GLU 241.A O no hydrogen 2.921 N/A ASP 246.A N GLN 242.A O no hydrogen 2.923 N/A LYS 247.A NZ GLU 183.A OE1 no hydrogen 3.366 N/A LEU 251.A N ILE 184.A O no hydrogen 2.826 N/A PHE 253.A N SER 250.A O no hydrogen 3.115 N/A THR 254.A N SER 250.A O no hydrogen 3.177 N/A THR 254.A N LEU 251.A O no hydrogen 2.961 N/A THR 254.A OG1 SER 250.A O no hydrogen 3.226 N/A THR 254.A OG1 LEU 251.A O no hydrogen 3.269 N/A ALA 255.A N LEU 251.A O no hydrogen 2.697 N/A CYS 259.A N PRO 256.A O no hydrogen 3.157 N/A CYS 259.A SG GLU 260.A O no hydrogen 3.940 N/A GLU 260.A N GLU 269.A O no hydrogen 2.867 N/A TYR 262.A N ARG 267.A O no hydrogen 3.260 N/A ARG 267.A N TYR 262.A O no hydrogen 3.347 N/A ARG 267.A NE GLU 269.A OE2 no hydrogen 2.380 N/A ARG 267.A NH2 GLU 269.A OE2 no hydrogen 2.945 N/A ALA 268.A N LEU 38.A O no hydrogen 2.491 N/A GLU 269.A N GLU 260.A O no hydrogen 2.824 N/A ASN 270.A N ILE 36.A O no hydrogen 3.284 N/A ASN 270.A ND2 GLU 260.A OE1 no hydrogen 2.739 N/A ALA 272.A N PHE 257.A O no hydrogen 3.253 N/A VAL 273.A N CYS 271.A O no hydrogen 3.051 N/A ILE 276.A N MET 7.A O no hydrogen 3.022 N/A LEU 278.A N THR 5.A O no hydrogen 3.197 N/A ALA 279.A N THR 162.A O no hydrogen 2.887 N/A PHE 280.A N HIS 3.A O no hydrogen 3.194 N/A ASP 281.A N LYS 160.A O no hydrogen 2.856 N/A ILE 282.A N TYR 1.A O no hydrogen 3.496 N/A LEU 286.A N PRO 283.A O no hydrogen 3.233 N/A PHE 287.A N ASP 284.A O no hydrogen 3.040 N/A GLU 292.A N ARG 289.A O no hydrogen 3.056 N/A THR 293.A N VAL 290.A O no hydrogen 2.875 N/A THR 293.A OG1 VAL 290.A O no hydrogen 2.673 N/A THR 295.A N SER 323.A OG no hydrogen 2.859 N/A SER 297.A N SER 321.A O no hydrogen 2.908 N/A SER 297.A OG SER 321.A O no hydrogen 3.421 N/A GLU 300.A N LYS 319.A O no hydrogen 3.080 N/A THR 302.A N THR 317.A O no hydrogen 3.222 N/A THR 302.A OG1 THR 317.A O no hydrogen 2.942 N/A ASN 304.A N ILE 315.A O no hydrogen 3.278 N/A GLU 305.A N ILE 315.A O no hydrogen 3.499 N/A VAL 307.A N GLY 313.A O no hydrogen 2.732 N/A TYR 308.A N HIS 381.A O no hydrogen 3.364 N/A GLY 313.A N ASP 311.A O no hydrogen 2.725 N/A GLY 314.A N PHE 356.A O no hydrogen 3.022 N/A ILE 315.A N GLU 305.A O no hydrogen 2.746 N/A ALA 316.A N ILE 354.A O no hydrogen 3.191 N/A THR 317.A N THR 302.A O no hydrogen 3.079 N/A THR 317.A OG1 THR 353.A OG1 no hydrogen 3.272 N/A VAL 318.A N ALA 352.A O no hydrogen 2.732 N/A LYS 319.A N GLU 300.A O no hydrogen 3.193 N/A TYR 320.A N GLY 350.A O no hydrogen 3.242 N/A TYR 320.A OH THR 347.A OG1 no hydrogen 2.695 N/A SER 321.A N SER 297.A O no hydrogen 2.800 N/A ALA 322.A N GLU 348.A O no hydrogen 2.516 N/A SER 323.A N THR 295.A O no hydrogen 2.970 N/A SER 323.A OG THR 295.A O no hydrogen 3.357 N/A GLY 326.A N LEU 346.A O no hydrogen 3.491 N/A CYS 328.A N VAL 344.A O no hydrogen 2.967 N/A VAL 330.A N ALA 342.A O no hydrogen 2.901 N/A HIS 331.A N GLN 368.A O no hydrogen 3.249 N/A SER 334.A OG THR 336.A OG1 no hydrogen 3.180 N/A THR 336.A N SER 334.A OG no hydrogen 3.329 N/A THR 336.A OG1 SER 334.A OG no hydrogen 3.180 N/A THR 338.A N SER 357.A O no hydrogen 3.219 N/A LYS 340.A N HIS 355.A O no hydrogen 2.992 N/A VAL 344.A N CYS 328.A O no hydrogen 2.956 N/A LEU 346.A N GLY 326.A O no hydrogen 2.835 N/A THR 347.A N TYR 320.A OH no hydrogen 2.343 N/A THR 347.A OG1 TYR 320.A OH no hydrogen 2.695 N/A ALA 352.A N VAL 318.A O no hydrogen 2.831 N/A THR 353.A OG1 THR 317.A OG1 no hydrogen 3.272 N/A ILE 354.A N ALA 316.A O no hydrogen 2.935 N/A PHE 356.A N GLY 314.A O no hydrogen 3.056 N/A SER 357.A N THR 338.A O no hydrogen 3.218 N/A THR 358.A OG1 THR 336.A O no hydrogen 2.851 N/A ALA 359.A N THR 336.A O no hydrogen 3.438 N/A ASN 360.A N THR 358.A OG1 no hydrogen 3.320 N/A HIS 362.A N ASN 360.A OD1 no hydrogen 3.074 N/A PHE 365.A N CYS 376.A O no hydrogen 3.338 N/A LEU 367.A N VAL 374.A O no hydrogen 2.691 N/A GLN 368.A N HIS 331.A O no hydrogen 3.087 N/A GLN 368.A NE2 CYS 370.A O no hydrogen 3.232 N/A ILE 369.A N SER 372.A O no hydrogen 2.845 N/A CYS 370.A N ALA 329.A O no hydrogen 3.051 N/A SER 372.A N ILE 369.A O no hydrogen 3.221 N/A SER 372.A OG ILE 369.A O no hydrogen 3.157 N/A VAL 374.A N LEU 367.A O no hydrogen 2.920 N/A CYS 376.A N PHE 365.A O no hydrogen 2.858 N/A CYS 380.A N ILE 361.A O no hydrogen 2.834 N/A HIS 381.A N CYS 306.A O no hydrogen 3.376 N/A HIS 381.A ND1 PRO 382.A O no hydrogen 3.011 N/A HIS 390.A ND1 HIS 390.A O no hydrogen 2.884 N/A HIS 394.A NE2 PRO 391.A O no hydrogen 2.587 N/A ALA 406.A N SER 403.A O no hydrogen 3.159 N/A THR 408.A N LYS 404.A O no hydrogen 2.885 N/A THR 408.A OG1 LYS 404.A O no hydrogen 2.917 N/A TRP 409.A N THR 405.A O no hydrogen 2.909 N/A LEU 410.A N ALA 406.A O no hydrogen 2.904 N/A THR 411.A N TRP 407.A O no hydrogen 2.878 N/A THR 411.A OG1 TRP 407.A O no hydrogen 2.967 N/A SER 412.A N THR 408.A O no hydrogen 2.879 N/A SER 412.A OG TRP 409.A O no hydrogen 2.323 N/A LEU 413.A N TRP 409.A O no hydrogen 2.927 N/A LEU 414.A N LEU 410.A O no hydrogen 2.581 N/A VAL 419.A N GLY 415.A O no hydrogen 2.794 N/A ILE 420.A N GLY 416.A O no hydrogen 2.924 N/A ILE 421.A N SER 417.A O no hydrogen 2.883 N/A ILE 422.A N ALA 418.A O no hydrogen 2.890 N/A ILE 423.A N VAL 419.A O no hydrogen 2.933 N/A GLY 424.A N ILE 420.A O no hydrogen 2.895 N/A LEU 425.A N ILE 421.A O no hydrogen 2.843 N/A VAL 426.A N ILE 422.A O no hydrogen 2.931 N/A LEU 427.A N ILE 423.A O no hydrogen 2.906 N/A ALA 428.A N GLY 424.A O no hydrogen 2.869 N/A THR 429.A N LEU 425.A O no hydrogen 2.905 N/A THR 429.A OG1 LEU 425.A O no hydrogen 3.012 N/A ILE 430.A N VAL 426.A O no hydrogen 2.909 N/A VAL 431.A N LEU 427.A O no hydrogen 2.893 N/A ALA 432.A N ALA 428.A O no hydrogen 2.897 N/A MET 433.A N THR 429.A O no hydrogen 2.896 N/A TYR 434.A N ILE 430.A O no hydrogen 2.888 N/A VAL 435.A N VAL 431.A O no hydrogen 2.904 N/A LEU 436.A N ALA 432.A O no hydrogen 2.916 N/A THR 437.A N MET 433.A O no hydrogen 2.876 N/A THR 437.A OG1 MET 433.A O no hydrogen 2.878 N/A ASN 438.A N TYR 434.A O no hydrogen 2.877 N/A GLN 439.A N VAL 435.A O no hydrogen 2.918 N/A LYS 440.A N LEU 436.A O no hydrogen 2.899 N/A