Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4dg1_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 10.A N ASP 121.A OD1 no hydrogen 3.328 N/A LYS 13.A N ARG 83.A O no hydrogen 2.934 N/A LYS 13.A NZ LYS 82.A O no hydrogen 2.769 N/A MET 16.A N LYS 13.A O no hydrogen 3.091 N/A VAL 21.A N ASN 57.A O no hydrogen 2.909 N/A GLN 23.A NE2 TRP 24.A O no hydrogen 2.752 N/A GLN 23.A NE2 VAL 60.A O no hydrogen 3.012 N/A LYS 30.A N THR 27.A O no hydrogen 3.068 N/A LYS 30.A N THR 27.A OG1 no hydrogen 3.341 N/A LYS 30.A NZ THR 394.A O no hydrogen 3.457 N/A LYS 30.A NZ GLU 395.A OE2 no hydrogen 3.492 N/A ILE 31.A N THR 27.A O no hydrogen 2.998 N/A LYS 32.A N GLU 28.A O no hydrogen 2.861 N/A LYS 32.A NZ GLU 28.A OE2 no hydrogen 3.546 N/A ALA 33.A N GLU 29.A O no hydrogen 3.171 N/A LEU 34.A N LYS 30.A O no hydrogen 2.861 N/A VAL 35.A N ILE 31.A O no hydrogen 2.865 N/A GLU 36.A N LYS 32.A O no hydrogen 3.221 N/A ILE 37.A N ALA 33.A O no hydrogen 3.003 N/A CYS 38.A N LEU 34.A O no hydrogen 2.855 N/A CYS 38.A SG LEU 34.A O no hydrogen 3.397 N/A THR 39.A N VAL 35.A O no hydrogen 3.030 N/A THR 39.A OG1 VAL 35.A O no hydrogen 2.680 N/A GLU 40.A N GLU 36.A O no hydrogen 3.333 N/A MET 41.A N ILE 37.A O no hydrogen 2.928 N/A GLU 42.A N CYS 38.A O no hydrogen 2.772 N/A LYS 43.A N THR 39.A O no hydrogen 3.210 N/A GLU 44.A N GLU 40.A O no hydrogen 3.077 N/A GLY 45.A N GLU 42.A O no hydrogen 2.987 N/A LYS 46.A N MET 41.A O no hydrogen 2.936 N/A LYS 46.A NZ GLU 44.A OE1 no hydrogen 3.347 N/A SER 48.A N GLN 145.A O no hydrogen 2.979 N/A ILE 50.A N ARG 143.A O no hydrogen 3.152 N/A GLU 53.A N GLU 53.A OE1 no hydrogen 2.682 N/A ASN 54.A N GLY 51.A O no hydrogen 3.406 N/A ASN 54.A ND2 LYS 126.A O no hydrogen 3.022 N/A TYR 56.A N ASN 54.A OD1 no hydrogen 2.944 N/A TYR 56.A OH ASP 17.A OD1 no hydrogen 2.634 N/A TYR 56.A OH ASP 17.A OD2 no hydrogen 3.408 N/A ASN 57.A N PRO 19.A O no hydrogen 2.995 N/A ASN 57.A ND2 VAL 21.A O no hydrogen 2.936 N/A THR 58.A N ALA 129.A O no hydrogen 2.974 N/A VAL 60.A N GLN 23.A OE1 no hydrogen 2.863 N/A PHE 61.A N LEU 74.A O no hydrogen 2.995 N/A ILE 63.A N ARG 72.A O no hydrogen 2.901 N/A LYS 64.A NZ THR 69.A O no hydrogen 2.793 N/A LYS 65.A NZ ASP 110.A OD2 no hydrogen 2.551 N/A SER 68.A OG LYS 65.A O no hydrogen 2.937 N/A ARG 72.A N ILE 63.A O no hydrogen 2.672 N/A ARG 72.A NE ASP 110.A OD2 no hydrogen 2.936 N/A ARG 72.A NH2 ASP 110.A OD1 no hydrogen 3.465 N/A ARG 72.A NH2 ASP 110.A OD2 no hydrogen 3.422 N/A LYS 73.A NZ TYR 146.A OH no hydrogen 2.867 N/A LEU 74.A N PHE 61.A O no hydrogen 2.982 N/A ASP 76.A N PRO 59.A O no hydrogen 3.013 N/A ARG 78.A N ASP 76.A OD1 no hydrogen 3.195 N/A ARG 78.A NE ASP 76.A OD1 no hydrogen 2.867 N/A ARG 78.A NE ASP 76.A OD2 no hydrogen 3.429 N/A ARG 78.A NH1 PRO 403.A O no hydrogen 3.080 N/A ARG 78.A NH2 ASP 76.A OD2 no hydrogen 2.780 N/A ASN 81.A N PHE 77.A O no hydrogen 2.746 N/A ASN 81.A ND2 GLY 152.A O no hydrogen 3.229 N/A LYS 82.A N ARG 78.A O no hydrogen 3.245 N/A LYS 82.A NZ GLU 404.A OE1 no hydrogen 3.465 N/A ARG 83.A N GLU 79.A O no hydrogen 3.221 N/A ARG 83.A NE GLU 79.A OE2 no hydrogen 2.613 N/A ARG 83.A NH1 ASP 17.A O no hydrogen 2.908 N/A THR 84.A N ASN 81.A O no hydrogen 3.409 N/A THR 84.A OG1 LEU 80.A O no hydrogen 2.680 N/A GLN 85.A N LYS 11.A O no hydrogen 3.297 N/A TRP 88.A N ASP 86.A OD2 no hydrogen 2.829 N/A VAL 90.A N PHE 87.A O no hydrogen 2.608 N/A GLN 91.A N PHE 87.A O no hydrogen 3.115 N/A ILE 94.A N GLN 91.A O no hydrogen 2.776 N/A LEU 100.A N PRO 97.A O no hydrogen 3.066 N/A LYS 101.A NZ ILE 373.A O no hydrogen 3.245 N/A LYS 102.A N GLY 99.A O no hydrogen 3.305 N/A LYS 103.A N LEU 100.A O no hydrogen 3.430 N/A LYS 103.A NZ ASP 177.A O no hydrogen 3.204 N/A LYS 104.A N ASP 192.A OD2 no hydrogen 2.887 N/A SER 105.A N SER 191.A O no hydrogen 3.005 N/A SER 105.A OG HIS 226.A ND1 no hydrogen 2.996 N/A VAL 106.A N LEU 225.A O no hydrogen 3.108 N/A THR 107.A N VAL 189.A O no hydrogen 2.899 N/A THR 107.A OG1 HIS 198.A NE2 no hydrogen 2.750 N/A VAL 108.A N TYR 223.A O no hydrogen 2.787 N/A LEU 109.A N LEU 187.A O no hydrogen 2.872 N/A VAL 111.A N ASP 185.A O no hydrogen 2.911 N/A GLY 112.A N ASP 110.A OD1 no hydrogen 3.199 N/A ALA 114.A N VAL 111.A O no hydrogen 3.106 N/A TYR 115.A N GLY 112.A O no hydrogen 3.151 N/A TYR 115.A OH MET 184.A O no hydrogen 2.513 N/A PHE 116.A N ASP 113.A O no hydrogen 3.174 N/A SER 117.A N ALA 114.A O no hydrogen 3.199 N/A SER 117.A OG ALA 114.A O no hydrogen 2.737 N/A VAL 118.A N TYR 115.A O no hydrogen 3.194 N/A LEU 120.A N ASN 147.A O no hydrogen 2.732 N/A PHE 124.A N ASP 121.A O no hydrogen 2.826 N/A ARG 125.A N ASP 121.A O no hydrogen 3.132 N/A ARG 125.A NE LEU 120.A O no hydrogen 2.902 N/A ARG 125.A NH2 LEU 120.A O no hydrogen 3.342 N/A TYR 127.A N PHE 124.A O no hydrogen 2.888 N/A THR 128.A N ARG 125.A O no hydrogen 2.960 N/A THR 128.A OG1 ARG 125.A O no hydrogen 2.776 N/A ALA 129.A N LYS 126.A O no hydrogen 3.439 N/A PHE 130.A N TYR 144.A O no hydrogen 2.934 N/A THR 131.A OG1 ASN 57.A OD1 no hydrogen 2.564 N/A ILE 132.A N ILE 142.A O no hydrogen 2.932 N/A SER 134.A OG THR 139.A O no hydrogen 2.638 N/A SER 134.A OG THR 139.A OG1 no hydrogen 3.313 N/A ASN 137.A N SER 134.A O no hydrogen 3.332 N/A GLU 138.A N ILE 135.A O no hydrogen 3.149 N/A THR 139.A N SER 134.A OG no hydrogen 3.226 N/A ILE 142.A N ILE 132.A O no hydrogen 3.084 N/A ARG 143.A NH1 ASN 54.A O no hydrogen 2.561 N/A ARG 143.A NH2 ASN 54.A O no hydrogen 3.079 N/A ARG 143.A NH2 ASN 54.A OD1 no hydrogen 3.152 N/A TYR 144.A N PHE 130.A O no hydrogen 3.099 N/A GLN 145.A N SER 48.A O no hydrogen 3.078 N/A TYR 146.A N THR 128.A OG1 no hydrogen 2.846 N/A ASN 147.A N LYS 46.A O no hydrogen 2.955 N/A ASN 147.A ND2 GLY 45.A O no hydrogen 2.976 N/A ASN 147.A ND2 SER 48.A OG no hydrogen 2.885 N/A LEU 149.A N VAL 118.A O no hydrogen 3.020 N/A GLY 152.A N ASP 185.A OD1 no hydrogen 2.869 N/A TRP 153.A NE1 THR 84.A OG1 no hydrogen 3.105 N/A LYS 154.A N ASN 81.A OD1 no hydrogen 2.794 N/A SER 156.A N TRP 153.A O no hydrogen 2.736 N/A SER 156.A OG PRO 150.A O no hydrogen 2.468 N/A ILE 159.A N GLY 155.A O no hydrogen 3.050 N/A PHE 160.A N SER 156.A O no hydrogen 3.065 N/A GLN 161.A NE2 GLY 93.A O no hydrogen 3.035 N/A MET 164.A N PHE 160.A O no hydrogen 2.864 N/A THR 165.A N GLN 161.A O no hydrogen 2.948 N/A THR 165.A OG1 SER 162.A O no hydrogen 2.837 N/A LYS 166.A N SER 162.A O no hydrogen 3.197 N/A ILE 167.A N SER 163.A O no hydrogen 2.972 N/A LEU 168.A N MET 164.A O no hydrogen 3.005 N/A GLU 169.A N THR 165.A O no hydrogen 2.827 N/A LYS 172.A N LEU 168.A O no hydrogen 2.927 N/A LYS 173.A N GLU 169.A O no hydrogen 3.068 N/A GLN 174.A N PRO 170.A O no hydrogen 3.270 N/A ASN 175.A N PHE 171.A O no hydrogen 2.982 N/A ILE 178.A N ASN 175.A O no hydrogen 3.235 N/A VAL 179.A N GLY 190.A O no hydrogen 2.770 N/A TYR 181.A N TYR 188.A O no hydrogen 2.660 N/A TYR 181.A OH GLY 375.A O no hydrogen 3.420 N/A TYR 183.A N ASP 186.A O no hydrogen 2.935 N/A ASP 186.A N TYR 183.A O no hydrogen 2.872 N/A LEU 187.A N LEU 109.A O no hydrogen 2.923 N/A TYR 188.A N TYR 181.A O no hydrogen 2.577 N/A VAL 189.A N THR 107.A O no hydrogen 2.820 N/A GLY 190.A N VAL 179.A O no hydrogen 2.622 N/A SER 191.A N SER 105.A O no hydrogen 2.952 N/A SER 191.A OG HIS 198.A ND1 no hydrogen 2.505 N/A GLY 196.A N GLU 194.A OE2 no hydrogen 2.515 N/A GLN 197.A N GLU 194.A OE1 no hydrogen 2.623 N/A HIS 198.A N GLU 194.A O no hydrogen 2.577 N/A HIS 198.A ND1 SER 191.A OG no hydrogen 2.505 N/A HIS 198.A NE2 THR 107.A OG1 no hydrogen 2.750 N/A ARG 199.A N ILE 195.A O no hydrogen 2.948 N/A THR 200.A N GLY 196.A O no hydrogen 3.196 N/A LYS 201.A N GLN 197.A O no hydrogen 2.997 N/A LYS 201.A NZ GLU 204.A OE1 no hydrogen 2.681 N/A ILE 202.A N HIS 198.A O no hydrogen 3.010 N/A GLU 203.A N ARG 199.A O no hydrogen 3.252 N/A GLU 204.A N THR 200.A O no hydrogen 2.856 N/A LEU 205.A N LYS 201.A O no hydrogen 2.869 N/A ARG 206.A N ILE 202.A O no hydrogen 2.755 N/A ARG 206.A NE GLU 203.A OE1 no hydrogen 3.311 N/A ARG 206.A NH1 LEU 219.A O no hydrogen 3.397 N/A ARG 206.A NH2 GLU 203.A OE1 no hydrogen 3.333 N/A GLN 207.A N GLU 203.A O no hydrogen 3.003 N/A LEU 210.A N ARG 206.A O no hydrogen 3.337 N/A ARG 211.A N GLN 207.A O no hydrogen 2.505 N/A TRP 212.A N HIS 208.A O no hydrogen 2.750 N/A MET 221.A N PHE 218.A O no hydrogen 3.132 N/A TYR 223.A N VAL 108.A O no hydrogen 3.039 N/A LEU 225.A N VAL 106.A O no hydrogen 2.695 N/A LYS 229.A N HIS 226.A O no hydrogen 3.319 N/A TRP 230.A N PRO 227.A O no hydrogen 3.373 N/A GLN 233.A N THR 342.A O no hydrogen 3.151 N/A GLN 233.A N THR 342.A OG1 no hydrogen 3.174 N/A THR 244.A N ASP 247.A OD2 no hydrogen 2.956 N/A VAL 245.A N GLU 282.A O no hydrogen 2.837 N/A ASN 246.A N LEU 280.A O no hydrogen 2.926 N/A ASP 247.A N THR 244.A OG1 no hydrogen 3.023 N/A ILE 248.A N THR 244.A O no hydrogen 3.037 N/A GLN 249.A N VAL 245.A O no hydrogen 2.954 N/A LYS 250.A N ASN 246.A O no hydrogen 2.962 N/A LEU 251.A N ASP 247.A O no hydrogen 2.930 N/A VAL 252.A N ILE 248.A O no hydrogen 2.866 N/A GLY 253.A N GLN 249.A O no hydrogen 3.049 N/A LYS 254.A N LYS 250.A O no hydrogen 2.936 N/A LYS 254.A NZ VAL 236.A O no hydrogen 2.702 N/A LEU 255.A N LEU 251.A O no hydrogen 2.866 N/A ASN 256.A N VAL 252.A O no hydrogen 2.877 N/A TRP 257.A N GLY 253.A O no hydrogen 3.046 N/A ALA 258.A N LYS 254.A O no hydrogen 2.949 N/A SER 259.A N LEU 255.A O no hydrogen 2.840 N/A SER 259.A N ASN 256.A O no hydrogen 3.245 N/A SER 259.A OG ASN 256.A O no hydrogen 2.541 N/A GLN 260.A N TRP 257.A O no hydrogen 3.173 N/A ILE 261.A N ALA 258.A O no hydrogen 2.707 N/A TYR 262.A N ALA 258.A O no hydrogen 2.694 N/A TYR 262.A OH GLU 303.A O no hydrogen 3.217 N/A ILE 265.A N TYR 262.A O no hydrogen 3.236 N/A LYS 266.A N ASN 297.A OD1 no hydrogen 2.941 N/A GLN 269.A N GLU 293.A OE1 no hydrogen 2.880 N/A LEU 270.A N GLU 293.A OE2 no hydrogen 3.160 N/A SER 271.A N VAL 267.A O no hydrogen 2.721 N/A SER 271.A OG VAL 267.A O no hydrogen 3.068 N/A LYS 272.A N ARG 268.A O no hydrogen 3.100 N/A LEU 273.A N LEU 270.A O no hydrogen 3.064 N/A LEU 274.A N SER 271.A O no hydrogen 2.770 N/A ARG 275.A N LYS 272.A O no hydrogen 3.404 N/A GLU 282.A N ALA 279.A O no hydrogen 3.118 N/A ILE 284.A N TRP 243.A O no hydrogen 2.883 N/A GLU 289.A N GLU 289.A OE1 no hydrogen 2.592 N/A ALA 290.A N THR 287.A OG1 no hydrogen 2.946 N/A GLU 291.A N THR 287.A O no hydrogen 2.884 N/A LEU 292.A N GLU 288.A O no hydrogen 3.017 N/A GLU 293.A N GLU 289.A O no hydrogen 3.053 N/A LEU 294.A N ALA 290.A O no hydrogen 2.895 N/A ALA 295.A N GLU 291.A O no hydrogen 3.136 N/A GLU 296.A N LEU 292.A O no hydrogen 2.862 N/A ASN 297.A N GLU 293.A O no hydrogen 2.832 N/A ASN 297.A ND2 LYS 266.A O no hydrogen 2.644 N/A ARG 298.A N LEU 294.A O no hydrogen 2.829 N/A ARG 298.A NH1 LEU 237.A O no hydrogen 3.072 N/A ARG 298.A NH1 PRO 238.A O no hydrogen 3.565 N/A ARG 298.A NH2 PRO 238.A O no hydrogen 3.137 N/A GLU 299.A N ALA 295.A O no hydrogen 3.024 N/A ILE 300.A N GLU 296.A O no hydrogen 2.999 N/A LEU 301.A N ASN 297.A O no hydrogen 3.070 N/A LYS 302.A N GLU 299.A O no hydrogen 2.798 N/A GLU 303.A N ILE 300.A O no hydrogen 3.320 N/A SER 313.A N ASP 311.A OD1 no hydrogen 2.965 N/A SER 313.A OG ASP 311.A OD1 no hydrogen 2.676 N/A SER 313.A OG ASP 311.A OD2 no hydrogen 3.354 N/A LYS 314.A N ASP 311.A O no hydrogen 3.031 N/A ILE 317.A N TYR 333.A O no hydrogen 2.801 N/A ALA 318.A N LYS 379.A O no hydrogen 2.871 N/A GLU 319.A N GLN 331.A O no hydrogen 2.896 N/A GLN 321.A N THR 329.A O no hydrogen 2.896 N/A GLN 321.A NE2 GLN 331.A OE1 no hydrogen 2.871 N/A LYS 322.A NZ ASP 355.A OD1 no hydrogen 2.582 N/A GLN 323.A N GLN 327.A O no hydrogen 2.898 N/A GLN 323.A NE2 THR 329.A OG1 no hydrogen 3.036 N/A GLN 323.A NE2 VAL 414.A O no hydrogen 3.033 N/A GLN 327.A N GLY 324.A O no hydrogen 3.092 N/A TRP 328.A N TYR 345.A O no hydrogen 2.611 N/A TRP 328.A NE1 GLN 358.A OE1 no hydrogen 2.976 N/A THR 329.A N GLN 321.A O no hydrogen 3.127 N/A THR 329.A OG1 GLN 321.A OE1 no hydrogen 2.630 N/A TYR 330.A N GLY 343.A O no hydrogen 2.985 N/A GLN 331.A N GLU 319.A O no hydrogen 2.957 N/A GLN 331.A NE2 GLN 321.A OE1 no hydrogen 3.079 N/A ILE 332.A N LYS 341.A O no hydrogen 2.736 N/A TYR 333.A N ILE 317.A O no hydrogen 2.972 N/A TYR 333.A OH GLU 319.A OE2 no hydrogen 2.734 N/A LYS 338.A N GLU 335.A O no hydrogen 3.078 N/A LYS 338.A NZ HIS 306.A O no hydrogen 2.964 N/A LEU 340.A N ILE 332.A O no hydrogen 2.856 N/A LYS 341.A N ILE 332.A O no hydrogen 3.414 N/A LYS 341.A NZ TYR 330.A OH no hydrogen 3.507 N/A THR 342.A OG1 GLN 233.A O no hydrogen 2.963 N/A GLY 343.A N TYR 330.A O no hydrogen 2.781 N/A LYS 344.A NZ TYR 418.A O no hydrogen 3.415 N/A TYR 345.A N TRP 328.A O no hydrogen 2.532 N/A TYR 345.A OH GLU 369.A OE2 no hydrogen 2.524 N/A ALA 351.A N MET 348.A O no hydrogen 3.136 N/A THR 353.A N ALA 351.A O no hydrogen 2.501 N/A THR 353.A OG1 HIS 352.A O no hydrogen 2.345 N/A ASN 354.A N GLY 350.A O no hydrogen 3.238 N/A ASN 354.A ND2 TYR 396.A OH no hydrogen 3.090 N/A LYS 357.A N ASN 354.A OD1 no hydrogen 2.962 N/A LYS 357.A NZ GLU 361.A OE2 no hydrogen 2.893 N/A GLN 358.A N ASN 354.A O no hydrogen 3.167 N/A GLN 358.A NE2 GLY 350.A O no hydrogen 3.608 N/A GLN 358.A NE2 ASN 354.A O no hydrogen 3.483 N/A LEU 359.A N ASP 355.A O no hydrogen 2.953 N/A THR 360.A N VAL 356.A O no hydrogen 2.932 N/A THR 360.A OG1 VAL 356.A O no hydrogen 2.685 N/A GLU 361.A N LYS 357.A O no hydrogen 3.085 N/A ALA 362.A N GLN 358.A O no hydrogen 2.851 N/A VAL 363.A N LEU 359.A O no hydrogen 2.800 N/A GLN 364.A N THR 360.A O no hydrogen 3.199 N/A LYS 365.A N GLU 361.A O no hydrogen 2.966 N/A ILE 366.A N ALA 362.A O no hydrogen 2.906 N/A THR 367.A N VAL 363.A O no hydrogen 3.031 N/A THR 367.A OG1 VAL 363.A O no hydrogen 2.803 N/A THR 368.A N GLN 364.A O no hydrogen 3.049 N/A THR 368.A OG1 LYS 365.A O no hydrogen 2.887 N/A GLU 369.A N LYS 365.A O no hydrogen 3.007 N/A SER 370.A N ILE 366.A O no hydrogen 2.912 N/A SER 370.A OG LYS 376.A O no hydrogen 2.609 N/A ILE 371.A N THR 367.A O no hydrogen 2.820 N/A VAL 372.A N THR 368.A O no hydrogen 3.024 N/A ILE 373.A N GLU 369.A O no hydrogen 3.003 N/A TRP 374.A N SER 370.A O no hydrogen 2.921 N/A GLY 375.A N ILE 371.A O no hydrogen 2.780 N/A LYS 376.A NZ PRO 312.A O no hydrogen 3.411 N/A LYS 376.A NZ LYS 314.A O no hydrogen 2.583 N/A LYS 379.A N LEU 316.A O no hydrogen 2.702 N/A PHE 380.A N GLU 404.A O no hydrogen 3.001 N/A LYS 381.A N ALA 318.A O no hydrogen 2.830 N/A LYS 381.A NZ GLU 406.A OE2 no hydrogen 3.484 N/A LEU 382.A N GLU 406.A O no hydrogen 2.908 N/A ILE 384.A N LEU 382.A O no hydrogen 2.986 N/A THR 388.A N GLN 385.A O no hydrogen 3.011 N/A TRP 389.A N GLN 385.A O no hydrogen 3.081 N/A GLU 390.A N LYS 386.A O no hydrogen 2.884 N/A THR 391.A N THR 388.A O no hydrogen 3.150 N/A THR 391.A OG1 GLU 387.A O no hydrogen 2.565 N/A TRP 392.A N THR 388.A O no hydrogen 3.234 N/A TRP 392.A N TRP 389.A O no hydrogen 3.242 N/A TRP 393.A N TRP 389.A O no hydrogen 2.957 N/A GLU 395.A N TRP 392.A O no hydrogen 2.980 N/A TYR 396.A N TRP 393.A O no hydrogen 3.246 N/A TRP 397.A NE1 TRP 401.A O no hydrogen 2.984 N/A THR 400.A OG1 ASP 186.A OD2 no hydrogen 3.547 N/A GLU 406.A N PHE 380.A O no hydrogen 2.847 N/A VAL 408.A N LEU 382.A O no hydrogen 2.907 N/A LYS 415.A N PRO 412.A O no hydrogen 3.352 N/A TRP 417.A N VAL 414.A O no hydrogen 3.054 N/A TYR 418.A N LYS 415.A O no hydrogen 3.121 N/A