Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ddi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N GLY 1.A O no hydrogen 3.474 N/A LYS 6.A N ALA 2.A O no hydrogen 2.904 N/A ARG 7.A N MET 3.A O no hydrogen 2.878 N/A ARG 7.A N ALA 4.A O no hydrogen 2.803 N/A ARG 7.A NE GLU 11.A OE2 no hydrogen 2.780 N/A ARG 7.A NH1 GLU 11.A OE2 no hydrogen 3.208 N/A ARG 7.A NH1 PRO 97.A O no hydrogen 3.050 N/A ARG 7.A NH1 LEU 99.A O no hydrogen 3.567 N/A ILE 8.A N ALA 4.A O no hydrogen 2.947 N/A HIS 9.A ND1 LEU 5.A O no hydrogen 2.935 N/A GLU 11.A N ARG 7.A O no hydrogen 2.976 N/A LEU 12.A N ILE 8.A O no hydrogen 2.905 N/A ASN 13.A N HIS 9.A O no hydrogen 2.889 N/A ASP 14.A N LYS 10.A O no hydrogen 2.965 N/A LEU 15.A N GLU 11.A O no hydrogen 2.941 N/A ALA 16.A N LEU 12.A O no hydrogen 2.896 N/A ARG 17.A N ASN 13.A O no hydrogen 2.938 N/A CYS 23.A SG LEU 105.A O no hydrogen 3.639 N/A SER 24.A N THR 38.A O no hydrogen 3.425 N/A GLY 26.A N GLN 36.A O no hydrogen 3.187 N/A VAL 28.A N HIS 34.A O no hydrogen 2.888 N/A ASP 31.A N VAL 28.A O no hydrogen 2.927 N/A TRP 35.A N ILE 56.A O no hydrogen 2.885 N/A GLN 36.A N GLY 26.A O no hydrogen 2.786 N/A ALA 37.A N LEU 54.A O no hydrogen 2.862 N/A THR 38.A N SER 24.A O no hydrogen 3.106 N/A ILE 39.A N PHE 52.A O no hydrogen 2.907 N/A MET 40.A N GLN 22.A O no hydrogen 3.312 N/A GLY 41.A N GLY 50.A O no hydrogen 3.044 N/A SER 45.A OG PRO 42.A O no hydrogen 2.433 N/A TYR 47.A OH TYR 76.A O no hydrogen 2.488 N/A TYR 47.A OH TYR 136.A OH no hydrogen 2.353 N/A GLN 48.A N SER 45.A O no hydrogen 3.101 N/A GLY 50.A N TYR 47.A O no hydrogen 3.303 N/A PHE 52.A N ILE 39.A O no hydrogen 2.881 N/A PHE 53.A N THR 73.A OG1 no hydrogen 3.251 N/A LEU 54.A N ALA 37.A O no hydrogen 2.909 N/A THR 55.A N ALA 70.A O no hydrogen 2.875 N/A ILE 56.A N TRP 35.A O no hydrogen 2.865 N/A HIS 57.A N LYS 68.A O no hydrogen 2.890 N/A PHE 58.A N PHE 33.A O no hydrogen 2.978 N/A ASP 61.A N ASP 61.A OD1 no hydrogen 2.476 N/A TYR 62.A OH GLU 11.A OE2 no hydrogen 3.237 N/A LYS 68.A N HIS 57.A O no hydrogen 2.910 N/A ALA 70.A N THR 55.A O no hydrogen 2.966 N/A PHE 71.A N GLY 84.A O no hydrogen 2.869 N/A THR 72.A N PHE 53.A O no hydrogen 3.122 N/A HIS 77.A NE2 LEU 111.A O no hydrogen 2.776 N/A ASN 79.A N HIS 77.A ND1 no hydrogen 2.919 N/A ASN 79.A ND2 ASN 116.A O no hydrogen 2.925 N/A ILE 80.A N HIS 77.A O no hydrogen 3.404 N/A ASN 81.A N SER 85.A O no hydrogen 3.179 N/A GLY 84.A N ASN 81.A O no hydrogen 2.667 N/A SER 87.A N ASN 79.A O no hydrogen 2.737 N/A SER 87.A OG ASP 119.A O no hydrogen 3.201 N/A LEU 91.A N LEU 88.A O no hydrogen 3.455 N/A ARG 92.A N ASP 89.A O no hydrogen 3.243 N/A GLN 94.A N ASP 89.A O no hydrogen 2.942 N/A TRP 95.A NE1 PRO 63.A O no hydrogen 3.330 N/A ALA 98.A N SER 96.A OG no hydrogen 3.091 N/A LEU 99.A N SER 96.A O no hydrogen 3.222 N/A THR 100.A OG1 GLU 11.A OE1 no hydrogen 3.543 N/A ILE 101.A N GLU 11.A OE1 no hydrogen 2.804 N/A SER 102.A N THR 100.A OG1 no hydrogen 2.829 N/A VAL 104.A N THR 100.A O no hydrogen 3.444 N/A LEU 105.A N ILE 101.A O no hydrogen 2.934 N/A LEU 106.A N SER 102.A O no hydrogen 2.920 N/A SER 107.A N LYS 103.A O no hydrogen 2.902 N/A SER 107.A N VAL 104.A O no hydrogen 2.816 N/A ILE 108.A N VAL 104.A O no hydrogen 2.899 N/A CYS 109.A N LEU 105.A O no hydrogen 2.886 N/A LEU 112.A N ILE 108.A O no hydrogen 2.938 N/A CYS 113.A N CYS 109.A O no hydrogen 3.465 N/A ASP 114.A N SER 110.A O no hydrogen 3.195 N/A ASN 116.A N ASN 79.A OD1 no hydrogen 2.876 N/A ASP 119.A N ASN 116.A O no hydrogen 3.423 N/A LEU 121.A N PRO 78.A O no hydrogen 2.807 N/A VAL 122.A N PRO 78.A O no hydrogen 3.039 N/A ALA 126.A N VAL 122.A O no hydrogen 3.330 N/A ARG 127.A N PRO 123.A O no hydrogen 2.888 N/A ILE 128.A N GLU 124.A O no hydrogen 2.884 N/A TYR 129.A N ILE 125.A O no hydrogen 2.915 N/A LYS 130.A N ALA 126.A O no hydrogen 2.928 N/A THR 131.A N ARG 127.A O no hydrogen 3.086 N/A THR 131.A OG1 ARG 127.A O no hydrogen 2.916 N/A ASP 132.A N THR 131.A OG1 no hydrogen 2.633 N/A ARG 133.A NE TYR 129.A O no hydrogen 3.319 N/A ARG 133.A NH1 TYR 129.A O no hydrogen 2.870 N/A TYR 136.A N ASP 132.A O no hydrogen 3.526 N/A ASN 137.A N ARG 133.A O no hydrogen 2.882 N/A ARG 138.A N GLU 134.A O no hydrogen 2.934 N/A ILE 139.A N LYS 135.A O no hydrogen 2.891 N/A ALA 140.A N TYR 136.A O no hydrogen 2.920 N/A ARG 141.A N ASN 137.A O no hydrogen 2.905 N/A GLU 142.A N ARG 138.A O no hydrogen 2.972 N/A TRP 143.A N ILE 139.A O no hydrogen 2.895 N/A THR 144.A N ALA 140.A O no hydrogen 2.903 N/A THR 144.A OG1 PRO 46.A O no hydrogen 3.337 N/A THR 144.A OG1 ALA 140.A O no hydrogen 2.316 N/A GLN 145.A N ARG 141.A O no hydrogen 2.887 N/A MET 149.A N THR 144.A O no hydrogen 2.619 N/A TYR 154.A N GLY 151.A O no hydrogen 2.791 N/A TYR 154.A OH GLY 49.A O no hydrogen 2.877 N/A ASP 155.A N SER 152.A O no hydrogen 2.557 N/A GLU 156.A N ALA 153.A O no hydrogen 3.050 N/A ILE 158.A N TYR 154.A O no hydrogen 2.853 N/A MET 159.A N ASP 155.A O no hydrogen 2.568 N/A ALA 160.A N GLU 156.A O no hydrogen 2.725 N/A GLN 161.A N ALA 157.A O no hydrogen 2.889 N/A GLN 162.A N ILE 158.A O no hydrogen 3.417 N/A ASP 163.A N MET 159.A O no hydrogen 2.948 N/A ARG 164.A N ALA 160.A O no hydrogen 2.665 N/A ILE 165.A N GLN 161.A O no hydrogen 2.930 N/A ILE 165.A N GLN 162.A O no hydrogen 2.954 N/A GLN 166.A N GLN 162.A O no hydrogen 2.958 N/A GLN 167.A N ASP 163.A O no hydrogen 3.316 N/A ILE 169.A N ILE 165.A O no hydrogen 2.791 N/A VAL 171.A N GLU 168.A O no hydrogen 2.962 N/A GLN 172.A N GLU 168.A O no hydrogen 3.261 N/A ASN 173.A N ILE 169.A O no hydrogen 3.014 N/A VAL 176.A N ASN 291.A OD1 no hydrogen 3.191 N/A SER 177.A N LYS 212.A O no hydrogen 3.034 N/A SER 177.A OG LYS 212.A O no hydrogen 3.137 N/A LEU 180.A N ILE 210.A O no hydrogen 2.921 N/A VAL 184.A N GLU 181.A O no hydrogen 3.478 N/A LEU 185.A N LEU 182.A O no hydrogen 2.969 N/A LYS 187.A N VAL 184.A O no hydrogen 2.954 N/A GLU 188.A N LEU 185.A O no hydrogen 2.965 N/A GLN 197.A NE2 TYR 186.A O no hydrogen 2.883 N/A GLN 198.A N ASN 194.A O no hydrogen 2.865 N/A GLN 198.A N ILE 195.A O no hydrogen 3.221 N/A LYS 199.A N ILE 195.A O no hydrogen 3.052 N/A LYS 199.A NZ GLY 367.A O no hydrogen 2.362 N/A ILE 200.A N TYR 196.A O no hydrogen 2.846 N/A LYS 201.A N GLN 197.A O no hydrogen 2.891 N/A ASP 202.A N GLN 198.A O no hydrogen 2.965 N/A LEU 203.A N ILE 200.A O no hydrogen 2.920 N/A HIS 204.A N ILE 200.A O no hydrogen 2.891 N/A LYS 205.A N LYS 201.A O no hydrogen 3.118 N/A LYS 206.A NZ ASP 202.A OD2 no hydrogen 2.907 N/A LYS 206.A NZ THR 372.A O no hydrogen 3.311 N/A LYS 206.A NZ THR 372.A OG1 no hydrogen 2.633 N/A TYR 207.A N LEU 203.A O no hydrogen 3.023 N/A TYR 207.A OH GLU 362.A OE2 no hydrogen 3.178 N/A SER 208.A N TYR 398.A O no hydrogen 2.764 N/A SER 208.A OG LYS 399.A OXT no hydrogen 3.401 N/A TYR 209.A N TYR 398.A O no hydrogen 3.016 N/A ILE 210.A N LEU 180.A O no hydrogen 2.724 N/A ARG 211.A N ILE 396.A O no hydrogen 2.852 N/A ARG 211.A NE TYR 398.A OH no hydrogen 2.793 N/A LYS 212.A N SER 177.A OG no hydrogen 3.134 N/A LYS 212.A NZ GLU 188.A OE2 no hydrogen 2.999 N/A THR 213.A N ASP 395.A OD2 no hydrogen 3.224 N/A THR 213.A OG1 TYR 394.A O no hydrogen 3.158 N/A ARG 214.A N LEU 175.A O no hydrogen 3.053 N/A ARG 214.A NE ASN 173.A O no hydrogen 3.110 N/A ARG 214.A NH1 ASN 173.A O no hydrogen 3.333 N/A ARG 214.A NH2 GLN 293.A OE1 no hydrogen 3.522 N/A ASP 216.A N ARG 214.A O no hydrogen 2.801 N/A ASN 218.A N ASP 216.A OD1 no hydrogen 3.168 N/A SER 219.A OG HIS 393.A ND1 no hydrogen 2.834 N/A TYR 221.A OH HIS 347.A ND1 no hydrogen 2.880 N/A ARG 222.A N ASN 218.A O no hydrogen 3.028 N/A ARG 222.A NH1 ASP 297.A OD1 no hydrogen 3.298 N/A ARG 222.A NH2 ASP 297.A OD1 no hydrogen 3.161 N/A ALA 223.A N SER 219.A O no hydrogen 3.027 N/A PHE 224.A N PHE 220.A O no hydrogen 2.879 N/A GLY 225.A N TYR 221.A O no hydrogen 2.977 N/A PHE 226.A N ARG 222.A O no hydrogen 3.123 N/A SER 227.A N ALA 223.A O no hydrogen 2.983 N/A HIS 228.A N PHE 224.A O no hydrogen 2.998 N/A LEU 229.A N GLY 225.A O no hydrogen 3.014 N/A GLU 230.A N PHE 226.A O no hydrogen 3.011 N/A ALA 231.A N SER 227.A O no hydrogen 2.987 N/A LEU 233.A N GLU 230.A O no hydrogen 3.253 N/A LYS 237.A NZ ASP 235.A OD1 no hydrogen 3.416 N/A LEU 239.A N ASP 235.A O no hydrogen 3.118 N/A GLN 240.A N SER 236.A O no hydrogen 2.956 N/A ARG 241.A N LYS 237.A O no hydrogen 2.982 N/A ARG 241.A NE GLU 238.A OE2 no hydrogen 3.043 N/A ARG 241.A NH2 GLU 238.A OE2 no hydrogen 3.278 N/A ARG 241.A NH2 LEU 355.A O no hydrogen 3.482 N/A PHE 242.A N GLU 238.A O no hydrogen 2.851 N/A LYS 243.A N LEU 239.A O no hydrogen 2.948 N/A LYS 243.A NZ GLU 278.A OE2 no hydrogen 2.614 N/A ALA 244.A N GLN 240.A O no hydrogen 3.032 N/A VAL 245.A N ARG 241.A O no hydrogen 3.491 N/A SER 246.A N PHE 242.A O no hydrogen 2.959 N/A SER 246.A OG PHE 242.A O no hydrogen 3.261 N/A ALA 247.A N LYS 243.A O no hydrogen 2.996 N/A LYS 248.A N ALA 244.A O no hydrogen 2.964 N/A LYS 248.A NZ ASP 252.A OD1 no hydrogen 2.326 N/A SER 249.A N VAL 245.A O no hydrogen 2.881 N/A SER 249.A N SER 246.A O no hydrogen 3.046 N/A SER 249.A OG SER 246.A O no hydrogen 2.472 N/A SER 249.A OG TYR 302.A OH no hydrogen 2.748 N/A ASP 252.A N LYS 248.A O no hydrogen 2.969 N/A LEU 253.A N SER 249.A O no hydrogen 2.873 N/A LEU 253.A N LYS 250.A O no hydrogen 2.884 N/A VAL 254.A N LYS 250.A O no hydrogen 2.951 N/A SER 255.A N GLU 251.A O no hydrogen 2.780 N/A SER 255.A OG GLU 251.A O no hydrogen 2.665 N/A SER 255.A OG ASP 252.A O no hydrogen 2.988 N/A GLN 256.A N LEU 253.A O no hydrogen 2.891 N/A GLN 256.A NE2 GLY 309.A O no hydrogen 2.702 N/A GLY 257.A N VAL 254.A O no hydrogen 3.004 N/A PHE 258.A N LEU 253.A O no hydrogen 3.095 N/A GLU 264.A N GLU 260.A O no hydrogen 2.866 N/A HIS 267.A N ILE 263.A O no hydrogen 2.969 N/A HIS 267.A ND1 TYR 302.A OH no hydrogen 2.882 N/A ASN 268.A N GLU 264.A O no hydrogen 2.961 N/A ASN 268.A ND2 GLU 264.A O no hydrogen 2.466 N/A THR 269.A N ASP 265.A O no hydrogen 3.400 N/A THR 269.A OG1 ASP 265.A O no hydrogen 2.991 N/A THR 269.A OG1 PHE 266.A O no hydrogen 3.431 N/A PHE 270.A N PHE 266.A O no hydrogen 3.052 N/A MET 271.A N HIS 267.A O no hydrogen 2.849 N/A ASP 272.A N ASN 268.A O no hydrogen 2.922 N/A LEU 273.A N THR 269.A O no hydrogen 3.008 N/A ILE 274.A N PHE 270.A O no hydrogen 2.908 N/A GLU 275.A N MET 271.A O no hydrogen 2.893 N/A GLN 276.A N ASP 272.A O no hydrogen 3.061 N/A GLN 276.A NE2 SER 289.A OG no hydrogen 2.984 N/A VAL 277.A N ILE 274.A O no hydrogen 2.933 N/A GLU 278.A N ILE 274.A O no hydrogen 2.805 N/A LYS 279.A N GLU 275.A O no hydrogen 3.249 N/A GLN 280.A NE2 LEU 233.A O no hydrogen 3.488 N/A ASP 285.A N SER 282.A O no hydrogen 2.807 N/A LEU 287.A N VAL 283.A O no hydrogen 2.966 N/A ALA 288.A N ALA 284.A O no hydrogen 2.931 N/A SER 289.A N ASP 285.A O no hydrogen 3.022 N/A PHE 290.A N LEU 286.A O no hydrogen 2.826 N/A ASN 291.A N LEU 287.A O no hydrogen 2.795 N/A ASN 291.A ND2 VAL 176.A O no hydrogen 2.618 N/A ASN 291.A ND2 LEU 287.A O no hydrogen 3.098 N/A THR 295.A N ASP 292.A OD1 no hydrogen 3.090 N/A THR 295.A OG1 ASP 292.A OD1 no hydrogen 3.030 N/A SER 296.A N ASP 292.A O no hydrogen 3.061 N/A ASP 297.A N GLN 293.A O no hydrogen 2.973 N/A TYR 298.A N SER 294.A O no hydrogen 2.791 N/A LEU 299.A N THR 295.A O no hydrogen 3.052 N/A VAL 300.A N SER 296.A O no hydrogen 2.937 N/A VAL 301.A N ASP 297.A O no hydrogen 2.909 N/A TYR 302.A N TYR 298.A O no hydrogen 3.120 N/A TYR 302.A OH HIS 267.A ND1 no hydrogen 2.882 N/A LEU 303.A N LEU 299.A O no hydrogen 2.959 N/A ARG 304.A N VAL 300.A O no hydrogen 3.029 N/A ARG 304.A NE ASN 218.A OD1 no hydrogen 2.968 N/A ARG 304.A NH1 VAL 336.A O no hydrogen 3.214 N/A ARG 304.A NH1 LYS 341.A O no hydrogen 2.997 N/A ARG 304.A NH2 ASN 218.A OD1 no hydrogen 2.890 N/A ARG 304.A NH2 LYS 341.A O no hydrogen 2.595 N/A LEU 305.A N VAL 301.A O no hydrogen 2.985 N/A LEU 306.A N TYR 302.A O no hydrogen 2.844 N/A THR 307.A N LEU 303.A O no hydrogen 3.003 N/A THR 307.A OG1 ARG 304.A O no hydrogen 2.687 N/A SER 308.A N ARG 304.A O no hydrogen 2.986 N/A SER 308.A OG GLU 337.A OE2 no hydrogen 2.851 N/A GLY 309.A N LEU 305.A O no hydrogen 2.850 N/A TYR 310.A N LEU 306.A O no hydrogen 2.998 N/A LEU 311.A N THR 307.A O no hydrogen 2.934 N/A GLN 312.A N SER 308.A O no hydrogen 2.928 N/A ARG 313.A N GLY 309.A O no hydrogen 2.985 N/A GLU 314.A N TYR 310.A O no hydrogen 3.024 N/A GLU 314.A N LEU 311.A O no hydrogen 3.231 N/A SER 315.A N GLN 312.A O no hydrogen 3.442 N/A SER 315.A OG GLN 312.A O no hydrogen 2.457 N/A PHE 317.A N GLU 314.A O no hydrogen 2.552 N/A GLU 319.A N SER 315.A O no hydrogen 2.852 N/A PHE 321.A N PHE 318.A O no hydrogen 2.336 N/A ILE 322.A N GLU 319.A O no hydrogen 3.379 N/A ARG 326.A NH1 GLN 334.A OE1 no hydrogen 3.193 N/A ARG 326.A NH1 GLU 335.A OE2 no hydrogen 3.562 N/A ARG 326.A NH2 GLU 323.A O no hydrogen 3.338 N/A THR 327.A N GLU 330.A OE1 no hydrogen 3.040 N/A GLU 330.A N THR 327.A OG1 no hydrogen 2.630 N/A CYS 332.A N VAL 328.A O no hydrogen 2.896 N/A CYS 332.A SG SER 308.A O no hydrogen 3.712 N/A CYS 332.A SG SER 308.A OG no hydrogen 3.196 N/A CYS 332.A SG VAL 328.A O no hydrogen 3.517 N/A GLN 333.A N LYS 329.A O no hydrogen 2.887 N/A GLN 334.A N GLU 330.A O no hydrogen 2.938 N/A GLU 335.A N PHE 331.A O no hydrogen 2.796 N/A VAL 336.A N CYS 332.A O no hydrogen 2.911 N/A GLU 337.A N CYS 332.A O no hydrogen 2.895 N/A CYS 340.A SG ASP 216.A O no hydrogen 3.563 N/A HIS 347.A ND1 TYR 221.A OH no hydrogen 2.880 N/A ILE 348.A N ASP 344.A O no hydrogen 3.319 N/A ILE 349.A N HIS 345.A O no hydrogen 3.043 N/A ALA 350.A N ILE 346.A O no hydrogen 2.892 N/A LEU 351.A N HIS 347.A O no hydrogen 2.961 N/A ALA 352.A N ILE 348.A O no hydrogen 2.901 N/A GLN 353.A N ILE 349.A O no hydrogen 2.917 N/A ALA 354.A N ALA 350.A O no hydrogen 2.877 N/A LEU 355.A N LEU 351.A O no hydrogen 3.027 N/A SER 356.A N GLN 353.A O no hydrogen 3.203 N/A SER 356.A OG LEU 355.A O no hydrogen 2.530 N/A VAL 357.A N ALA 352.A O no hydrogen 2.983 N/A SER 358.A OG GLU 382.A O no hydrogen 3.541 N/A ILE 359.A N PHE 377.A O no hydrogen 2.957 N/A GLN 360.A N VAL 385.A O no hydrogen 2.893 N/A GLN 360.A NE2 TYR 207.A OH no hydrogen 2.813 N/A VAL 361.A N HIS 375.A O no hydrogen 2.886 N/A GLU 362.A N LEU 387.A O no hydrogen 2.827 N/A TYR 363.A N ASN 373.A O no hydrogen 2.907 N/A MET 364.A N TYR 389.A O no hydrogen 3.310 N/A GLY 367.A N ASP 365.A OD1 no hydrogen 3.437 N/A THR 372.A OG1 ASP 202.A OD2 no hydrogen 3.124 N/A THR 372.A OG1 GLU 362.A OE1 no hydrogen 2.950 N/A ASN 373.A N TYR 363.A O no hydrogen 3.031 N/A HIS 375.A N VAL 361.A O no hydrogen 2.920 N/A PHE 377.A N ILE 359.A O no hydrogen 2.898 N/A SER 381.A N PRO 378.A O no hydrogen 3.478 N/A SER 381.A OG PRO 378.A O no hydrogen 2.520 N/A LEU 387.A N GLN 360.A O no hydrogen 2.826 N/A LEU 388.A N ASP 395.A O no hydrogen 2.851 N/A TYR 389.A N GLU 362.A O no hydrogen 2.786 N/A ARG 390.A N HIS 393.A O no hydrogen 3.065 N/A ARG 390.A NH2 ASP 395.A OD1 no hydrogen 2.661 N/A HIS 393.A N ARG 390.A O no hydrogen 2.945 N/A HIS 393.A ND1 SER 219.A OG no hydrogen 2.834 N/A HIS 393.A NE2 THR 213.A O no hydrogen 2.797 N/A ASP 395.A N LEU 388.A O no hydrogen 2.991 N/A ILE 396.A N ARG 211.A O no hydrogen 2.963 N/A LEU 397.A N TYR 386.A O no hydrogen 2.972 N/A TYR 398.A N TYR 209.A O no hydrogen 2.911 N/A TYR 398.A OH GLU 230.A OE1 no hydrogen 2.351 N/A