Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x53_1.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N CYS 39.A O no hydrogen 2.936 N/A ASN 5.A N GLN 70.A O no hydrogen 2.850 N/A ASN 5.A ND2 GLN 70.A OE1 no hydrogen 2.876 N/A VAL 6.A N ALA 37.A O no hydrogen 3.221 N/A TYR 7.A N ILE 68.A O no hydrogen 2.967 N/A TYR 7.A OH GLN 70.A OE1 no hydrogen 2.583 N/A ASN 9.A ND2 GLY 66.A O no hydrogen 3.053 N/A ASN 11.A N ASN 9.A O no hydrogen 2.841 N/A TYR 14.A N ASN 11.A O no hydrogen 3.220 N/A TYR 15.A N ASN 11.A O no hydrogen 3.056 N/A ASN 16.A N PRO 12.A O no hydrogen 3.366 N/A ASN 16.A ND2 ASN 141.A OD1 no hydrogen 3.258 N/A MET 22.A N LYS 26.A O no hydrogen 2.740 N/A GLY 25.A N MET 22.A O no hydrogen 2.914 N/A LYS 26.A N ASN 24.A OD1 no hydrogen 3.426 N/A LYS 27.A NZ ASP 19.A O no hydrogen 3.390 N/A GLU 28.A N PHE 20.A O no hydrogen 2.902 N/A ARG 30.A N ILE 17.A O no hydrogen 3.216 N/A ARG 30.A NE ASP 19.A OD2 no hydrogen 3.466 N/A ARG 30.A NH1 TYR 14.A O no hydrogen 3.002 N/A ARG 30.A NH2 ASP 19.A OD2 no hydrogen 3.205 N/A LEU 32.A N ASN 202.A O no hydrogen 2.938 N/A LYS 36.A N VAL 6.A O no hydrogen 2.883 N/A LYS 36.A NZ ASP 8.A OD2 no hydrogen 3.499 N/A LYS 36.A NZ ASP 67.A OD2 no hydrogen 3.024 N/A ARG 38.A NE ASN 5.A OD1 no hydrogen 2.801 N/A ARG 38.A NH1 GLU 3.A OE2 no hydrogen 3.143 N/A CYS 39.A N ALA 4.A O no hydrogen 3.003 N/A GLN 40.A N THR 60.A OG1 no hydrogen 3.236 N/A VAL 41.A N LEU 2.A O no hydrogen 2.980 N/A ILE 42.A N THR 58.A O no hydrogen 2.988 N/A ASN 43.A N GLU 358.A OE1 no hydrogen 3.408 N/A GLU 45.A N SER 56.A O no hydrogen 3.092 N/A LEU 46.A N LYS 356.A O no hydrogen 3.325 N/A TRP 47.A N SER 55.A OG no hydrogen 2.858 N/A GLU 48.A N ASP 353.A OD1 no hydrogen 2.803 N/A THR 49.A N ASP 353.A OD1 no hydrogen 2.755 N/A THR 49.A OG1 ALA 352.A O no hydrogen 2.645 N/A GLY 50.A N ASP 353.A OD1 no hydrogen 3.290 N/A TYR 51.A N ASP 353.A OD2 no hydrogen 2.942 N/A TYR 51.A OH GLU 233.A OE1 no hydrogen 3.220 N/A SER 55.A OG TYR 95.A OH no hydrogen 3.430 N/A SER 56.A N GLU 45.A O no hydrogen 3.143 N/A SER 56.A OG GLU 45.A OE2 no hydrogen 3.562 N/A ALA 57.A N ALA 106.A O no hydrogen 2.974 N/A THR 58.A N ILE 42.A O no hydrogen 3.051 N/A VAL 63.A N VAL 61.A O no hydrogen 3.017 N/A GLU 64.A N ASP 67.A OD2 no hydrogen 3.090 N/A GLY 66.A N VAL 97.A O no hydrogen 3.077 N/A ASP 67.A N GLU 64.A O no hydrogen 3.289 N/A ILE 68.A N TYR 7.A O no hydrogen 2.780 N/A VAL 69.A N TYR 95.A O no hydrogen 2.849 N/A GLN 70.A N ASN 5.A O no hydrogen 2.912 N/A GLN 70.A NE2 ASP 92.A OD1 no hydrogen 2.708 N/A GLN 70.A NE2 ASP 92.A OD2 no hydrogen 3.408 N/A ILE 71.A N MET 93.A O no hydrogen 2.825 N/A LEU 72.A N GLU 3.A O no hydrogen 2.822 N/A GLU 75.A N PHE 73.A O no hydrogen 2.771 N/A VAL 77.A N LEU 89.A O no hydrogen 2.727 N/A GLU 80.A N SER 210.A O no hydrogen 2.960 N/A ALA 82.A N LYS 85.A O no hydrogen 3.331 N/A LYS 85.A NZ GLU 81.A OE2 no hydrogen 2.945 N/A LYS 87.A N ILE 79.A O no hydrogen 3.075 N/A LEU 91.A N GLU 75.A O no hydrogen 3.006 N/A MET 93.A N ILE 71.A O no hydrogen 3.100 N/A TYR 95.A N VAL 69.A O no hydrogen 2.936 N/A TYR 95.A OH TRP 47.A O no hydrogen 2.402 N/A TYR 95.A OH SER 55.A OG no hydrogen 3.430 N/A LEU 96.A N LYS 109.A O no hydrogen 2.821 N/A VAL 97.A N ASP 67.A O no hydrogen 2.936 N/A THR 98.A N THR 107.A O no hydrogen 2.927 N/A THR 98.A OG1 THR 107.A O no hydrogen 2.725 N/A ASP 101.A N LYS 105.A O no hydrogen 3.334 N/A SER 103.A OG ASP 101.A OD1 no hydrogen 3.171 N/A SER 103.A OG ASP 101.A OD2 no hydrogen 3.176 N/A ASN 104.A N ASP 101.A O no hydrogen 3.320 N/A ASN 104.A ND2 LEU 59.A O no hydrogen 2.858 N/A ASN 104.A ND2 VAL 61.A O no hydrogen 3.131 N/A LYS 105.A N ASP 101.A OD2 no hydrogen 2.813 N/A ALA 106.A N ALA 57.A O no hydrogen 2.927 N/A THR 107.A N ASP 99.A O no hydrogen 2.729 N/A THR 107.A OG1 ASP 99.A O no hydrogen 3.264 N/A LEU 108.A N SER 55.A O no hydrogen 2.752 N/A LYS 109.A N LEU 96.A O no hydrogen 3.009 N/A LYS 109.A NZ GLU 117.A OE2 no hydrogen 2.784 N/A TYR 111.A N VAL 94.A O no hydrogen 3.243 N/A TYR 111.A OH MET 146.A O no hydrogen 3.059 N/A TRP 113.A NE1 THR 49.A O no hydrogen 2.825 N/A ALA 114.A N ASN 110.A O no hydrogen 3.241 N/A MET 115.A N PHE 112.A O no hydrogen 3.030 N/A ILE 116.A N PHE 112.A O no hydrogen 3.061 N/A VAL 121.A N SER 170.A O no hydrogen 2.740 N/A THR 126.A OG1 ASN 123.A O no hydrogen 2.716 N/A THR 128.A OG1 ILE 125.A O no hydrogen 2.901 N/A ALA 132.A N THR 129.A O no hydrogen 3.263 N/A ILE 134.A N ASN 130.A O no hydrogen 3.173 N/A ASP 135.A N PHE 131.A O no hydrogen 2.934 N/A TYR 136.A N ALA 132.A O no hydrogen 3.161 N/A TYR 136.A N ILE 133.A O no hydrogen 3.219 N/A TYR 136.A OH ASP 120.A O no hydrogen 2.965 N/A LEU 137.A N ILE 133.A O no hydrogen 2.872 N/A ILE 138.A N ILE 134.A O no hydrogen 2.979 N/A ASN 141.A ND2 ASP 139.A OD1 no hydrogen 2.801 N/A ASN 141.A ND2 ASP 139.A OD2 no hydrogen 3.391 N/A LYS 142.A N ASP 139.A O no hydrogen 3.440 N/A LYS 142.A NZ TYR 136.A O no hydrogen 3.460 N/A LYS 142.A NZ ASP 139.A OD2 no hydrogen 2.794 N/A ASN 143.A N ASP 139.A O no hydrogen 3.139 N/A ASN 143.A ND2 LEU 137.A O no hydrogen 2.846 N/A ASN 144.A ND2 MET 115.A O no hydrogen 3.433 N/A ASN 144.A ND2 GLU 117.A O no hydrogen 2.664 N/A MET 146.A N PHE 10.A O no hydrogen 3.080 N/A TYR 148.A N LEU 204.A O no hydrogen 3.128 N/A TYR 148.A OH ARG 30.A O no hydrogen 2.612 N/A TYR 150.A OH ASP 135.A OD1 no hydrogen 2.722 N/A PHE 151.A N ILE 206.A O no hydrogen 3.070 N/A ASN 153.A N PHE 208.A O no hydrogen 3.030 N/A ASN 153.A ND2 TRP 213.A O no hydrogen 2.810 N/A SER 155.A OG ASN 153.A OD1 no hydrogen 2.606 N/A SER 155.A OG TRP 213.A O no hydrogen 3.433 N/A ILE 156.A N ASN 153.A OD1 no hydrogen 3.435 N/A LYS 160.A NZ LYS 127.A O no hydrogen 3.380 N/A LYS 160.A NZ ALA 161.A O no hydrogen 3.298 N/A LYS 166.A NZ GLU 168.A OE1 no hydrogen 3.486 N/A SER 170.A N VAL 121.A O no hydrogen 3.192 N/A ALA 172.A N LEU 119.A O no hydrogen 2.720 N/A VAL 175.A N SER 171.A O no hydrogen 3.234 N/A ALA 176.A N ALA 172.A O no hydrogen 3.169 N/A LYS 177.A N HIS 173.A O no hydrogen 3.045 N/A ARG 178.A N ASP 174.A O no hydrogen 3.097 N/A ARG 178.A NH2 THR 162.A O no hydrogen 2.725 N/A ILE 179.A N VAL 175.A O no hydrogen 2.808 N/A PHE 180.A N ALA 176.A O no hydrogen 2.686 N/A SER 181.A N LYS 177.A O no hydrogen 3.184 N/A SER 181.A OG LYS 177.A O no hydrogen 2.614 N/A VAL 183.A N ILE 179.A O no hydrogen 2.974 N/A PHE 185.A N PHE 180.A O no hydrogen 3.260 N/A GLN 186.A N ASN 335.A OD1 no hydrogen 2.814 N/A GLN 186.A NE2 TYR 350.A OH no hydrogen 3.491 N/A THR 188.A N ASN 207.A O no hydrogen 3.244 N/A THR 190.A N PHE 205.A O no hydrogen 2.854 N/A ILE 191.A N ASP 92.A OD1 no hydrogen 3.277 N/A GLN 192.A N LEU 203.A O no hydrogen 2.852 N/A ALA 194.A N ARG 201.A O no hydrogen 3.014 N/A ARG 201.A N ASP 199.A OD1 no hydrogen 3.476 N/A ARG 201.A NE ASP 199.A OD1 no hydrogen 2.981 N/A ARG 201.A NE ASP 199.A OD2 no hydrogen 3.315 N/A ARG 201.A NH1 LYS 29.A O no hydrogen 3.148 N/A ARG 201.A NH2 ASP 199.A OD2 no hydrogen 2.988 N/A LEU 203.A N GLN 192.A O no hydrogen 3.026 N/A PHE 205.A N THR 190.A O no hydrogen 2.933 N/A ILE 206.A N GLY 149.A O no hydrogen 3.189 N/A ASN 207.A N THR 188.A O no hydrogen 2.780 N/A PHE 208.A N PHE 151.A O no hydrogen 2.784 N/A SER 210.A OG ASN 212.A O no hydrogen 2.640 N/A ARG 215.A NH1 GLN 184.A O no hydrogen 2.981 N/A ARG 215.A NH2 GLN 184.A O no hydrogen 3.130 N/A LYS 216.A NZ ASN 214.A O no hydrogen 2.801 N/A ARG 217.A NH1 ASP 339.A OD1 no hydrogen 3.068 N/A ARG 217.A NH1 GLY 349.A O no hydrogen 3.364 N/A ILE 218.A N LEU 337.A O no hydrogen 2.800 N/A THR 220.A N ASP 339.A O no hydrogen 2.967 N/A ARG 221.A NH1 ASP 223.A OD2 no hydrogen 3.105 N/A ARG 221.A NH2 ASP 223.A OD2 no hydrogen 2.969 N/A VAL 222.A N TRP 341.A O no hydrogen 2.958 N/A ASP 223.A N GLN 226.A OE1 no hydrogen 2.723 N/A LYS 225.A N ASP 223.A OD1 no hydrogen 2.970 N/A GLN 226.A N ASP 223.A O no hydrogen 3.236 N/A GLN 226.A NE2 ASN 325.A O no hydrogen 3.400 N/A THR 229.A N ILE 323.A O no hydrogen 2.909 N/A ASP 231.A N ARG 321.A O no hydrogen 3.191 N/A GLU 233.A N VAL 319.A O no hydrogen 2.694 N/A VAL 236.A N THR 317.A OG1 no hydrogen 2.870 N/A ASN 242.A N THR 289.A OG1 no hydrogen 2.770 N/A ASN 242.A ND2 VAL 287.A O no hydrogen 3.080 N/A PHE 243.A N THR 289.A O no hydrogen 2.679 N/A ALA 244.A N TYR 263.A O no hydrogen 2.912 N/A VAL 245.A N LYS 291.A O no hydrogen 2.961 N/A VAL 246.A N LYS 261.A O no hydrogen 3.164 N/A PHE 247.A N LEU 293.A O no hydrogen 2.987 N/A ASN 250.A N ASP 255.A O no hydrogen 2.557 N/A ASN 250.A ND2 ASP 258.A OD2 no hydrogen 2.785 N/A LYS 251.A NZ ASP 298.A O no hydrogen 3.513 N/A THR 253.A N ASN 250.A OD1 no hydrogen 3.030 N/A THR 253.A OG1 ASN 250.A OD1 no hydrogen 3.434 N/A THR 253.A OG1 ASP 255.A O no hydrogen 3.456 N/A THR 253.A OG1 THR 257.A OG1 no hydrogen 2.877 N/A ASP 255.A N THR 253.A OG1 no hydrogen 3.313 N/A TYR 256.A OH ASP 296.A OD1 no hydrogen 3.384 N/A THR 257.A OG1 THR 253.A OG1 no hydrogen 2.877 N/A LYS 261.A N VAL 246.A O no hydrogen 2.923 N/A TYR 263.A N ALA 244.A O no hydrogen 2.973 N/A ILE 264.A N ILE 272.A O no hydrogen 2.884 N/A LYS 266.A N ASP 270.A O no hydrogen 2.849 N/A ASN 267.A N ASP 283.A O no hydrogen 2.798 N/A ASP 270.A N ASN 268.A OD1 no hydrogen 2.814 N/A ILE 272.A N ILE 264.A O no hydrogen 3.040 N/A TYR 274.A N MET 262.A O no hydrogen 2.680 N/A SER 275.A N ASP 273.A OD1 no hydrogen 2.928 N/A SER 275.A OG ASP 273.A OD1 no hydrogen 2.617 N/A THR 276.A OG1 ASP 273.A O no hydrogen 2.539 N/A TYR 277.A N TYR 274.A O no hydrogen 3.357 N/A TYR 277.A OH ASP 283.A OD1 no hydrogen 2.745 N/A HIS 278.A ND1 THR 276.A O no hydrogen 3.041 N/A GLY 281.A N TYR 277.A OH no hydrogen 2.725 N/A THR 282.A OG1 ASP 280.A OD1 no hydrogen 2.785 N/A THR 282.A OG1 ASP 280.A OD2 no hydrogen 3.238 N/A LEU 284.A N GLY 281.A O no hydrogen 3.404 N/A THR 289.A OG1 ALA 240.A O no hydrogen 3.095 N/A LYS 291.A N PHE 243.A O no hydrogen 3.064 N/A LEU 293.A N VAL 245.A O no hydrogen 3.007 N/A TYR 295.A N PHE 247.A O no hydrogen 3.311 N/A GLY 301.A N ASP 298.A O no hydrogen 3.016 N/A GLY 301.A N ASP 298.A OD2 no hydrogen 2.887 N/A THR 308.A OG1 GLU 305.A O no hydrogen 2.674 N/A LYS 310.A N LEU 306.A O no hydrogen 2.950 N/A VAL 311.A N SER 307.A O no hydrogen 3.300 N/A GLU 312.A N ILE 309.A O no hydrogen 2.997 N/A ILE 313.A N ILE 309.A O no hydrogen 3.175 N/A ILE 313.A N LYS 310.A O no hydrogen 3.208 N/A SER 314.A OG VAL 311.A O no hydrogen 2.612 N/A VAL 319.A N GLU 233.A O no hydrogen 2.889 N/A THR 320.A N GLU 367.A OE2 no hydrogen 3.026 N/A THR 320.A OG1 GLU 367.A OE2 no hydrogen 3.448 N/A ARG 321.A N ASP 231.A O no hydrogen 2.805 N/A LEU 322.A N PHE 365.A O no hydrogen 2.950 N/A ILE 323.A N THR 229.A O no hydrogen 3.179 N/A PHE 324.A N LEU 363.A O no hydrogen 3.156 N/A ASN 325.A N GLN 226.A O no hydrogen 2.935 N/A GLN 326.A N ASP 361.A O no hydrogen 2.672 N/A GLN 326.A NE2 LEU 332.A O no hydrogen 3.184 N/A LEU 329.A N ASN 327.A OD1 no hydrogen 3.291 N/A LEU 332.A N GLN 326.A OE1 no hydrogen 2.875 N/A TYR 333.A N ASP 336.A OD2 no hydrogen 3.271 N/A ASN 335.A N ILE 351.A O no hydrogen 3.013 N/A ASN 335.A ND2 GLN 186.A O no hydrogen 3.187 N/A VAL 338.A N GLY 349.A O no hydrogen 2.770 N/A ASP 339.A N ILE 218.A O no hydrogen 2.710 N/A ILE 340.A N TYR 347.A O no hydrogen 2.748 N/A TRP 341.A N THR 220.A O no hydrogen 2.941 N/A TYR 342.A N LYS 345.A O no hydrogen 2.863 N/A LYS 345.A N TYR 342.A O no hydrogen 3.258 N/A TYR 347.A N ILE 340.A O no hydrogen 2.785 N/A SER 348.A OG ASP 339.A OD1 no hydrogen 2.929 N/A GLY 349.A N VAL 338.A O no hydrogen 2.874 N/A TYR 350.A N VAL 366.A O no hydrogen 3.001 N/A ILE 351.A N ASP 336.A O no hydrogen 3.359 N/A ALA 352.A N ILE 364.A O no hydrogen 2.856 N/A ARG 354.A N ASP 353.A OD1 no hydrogen 3.096 N/A ARG 354.A NE ASP 361.A OD2 no hydrogen 3.273 N/A VAL 355.A N ARG 362.A O no hydrogen 2.975 N/A LYS 356.A N LEU 46.A O no hydrogen 2.772 N/A THR 357.A N ASN 360.A O no hydrogen 3.254 N/A THR 357.A OG1 ASN 360.A O no hydrogen 2.574 N/A ASN 360.A N THR 357.A OG1 no hydrogen 3.051 N/A ARG 362.A N VAL 355.A O no hydrogen 3.299 N/A ARG 362.A NH1 SER 227.A O no hydrogen 2.988 N/A ARG 362.A NH1 ASN 325.A OD1 no hydrogen 2.795 N/A ARG 362.A NH2 SER 227.A O no hydrogen 2.885 N/A LEU 363.A N PHE 324.A O no hydrogen 2.810 N/A ILE 364.A N ASP 353.A O no hydrogen 3.094 N/A PHE 365.A N LEU 322.A O no hydrogen 2.776 N/A VAL 366.A N TYR 350.A O no hydrogen 2.915 N/A GLU 367.A N THR 320.A O no hydrogen 3.246 N/A SER 368.A N SER 348.A O no hydrogen 3.079 N/A LYS 371.A NZ LEU 346.A O no hydrogen 3.377 N/A