Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pvk_CJ.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 9.A OG LYS 8.A O no hydrogen 2.954 N/A ASN 14.A N GLY 10.A O no hydrogen 2.911 N/A TYR 15.A N ALA 11.A O no hydrogen 2.916 N/A MET 16.A N TYR 63.A O no hydrogen 3.126 N/A THR 17.A N GLN 20.A OE1 no hydrogen 3.100 N/A ARG 18.A N THR 61.A O no hydrogen 3.028 N/A GLN 20.A N THR 17.A OG1 no hydrogen 3.301 N/A ALA 21.A N THR 17.A O no hydrogen 2.915 N/A VAL 22.A N ARG 18.A O no hydrogen 2.890 N/A LYS 23.A N THR 19.A O no hydrogen 2.939 N/A LYS 24.A N GLN 20.A O no hydrogen 2.871 N/A LEU 25.A N ALA 21.A O no hydrogen 2.939 N/A LEU 27.A N VAL 22.A O no hydrogen 3.452 N/A PHE 32.A N SER 28.A O no hydrogen 2.896 N/A ARG 33.A N LEU 29.A O no hydrogen 2.958 N/A ARG 33.A NH1 ASP 222.A OD2 no hydrogen 3.272 N/A ARG 33.A NH2 ASP 222.A OD2 no hydrogen 2.836 N/A LYS 34.A N PRO 30.A O no hydrogen 2.895 N/A LYS 34.A NZ ASP 31.A OD1 no hydrogen 3.557 N/A LEU 35.A N ASP 31.A O no hydrogen 2.888 N/A CYS 36.A N PHE 32.A O no hydrogen 2.903 N/A CYS 36.A SG PHE 32.A O no hydrogen 3.523 N/A ILE 37.A N ARG 33.A O no hydrogen 2.952 N/A TRP 38.A N LYS 34.A O no hydrogen 2.932 N/A TRP 38.A NE1 THR 228.A O no hydrogen 3.059 N/A LYS 39.A N LEU 35.A O no hydrogen 2.880 N/A LYS 39.A NZ GLU 74.A OE1 no hydrogen 2.702 N/A LYS 39.A NZ GLU 128.A OE1 no hydrogen 2.534 N/A LYS 39.A NZ GLU 128.A OE2 no hydrogen 3.309 N/A ILE 41.A N CYS 36.A O no hydrogen 2.932 N/A ARG 44.A N PHE 62.A O no hydrogen 2.883 N/A ARG 50.A N ASP 48.A OD1 no hydrogen 3.365 N/A LYS 51.A N ASP 48.A O no hydrogen 3.319 N/A VAL 52.A N ARG 49.A O no hydrogen 3.232 N/A ASN 53.A N ARG 49.A O no hydrogen 2.920 N/A SER 55.A N ASN 53.A OD1 no hydrogen 2.924 N/A SER 55.A OG ASN 53.A OD1 no hydrogen 2.653 N/A ALA 56.A N ASN 53.A O no hydrogen 3.375 N/A THR 57.A N THR 60.A OG1 no hydrogen 2.814 N/A THR 57.A OG1 SER 59.A OG no hydrogen 3.163 N/A THR 57.A OG1 THR 60.A OG1 no hydrogen 3.276 N/A SER 59.A OG THR 57.A OG1 no hydrogen 3.163 N/A THR 60.A N THR 57.A O no hydrogen 3.356 N/A THR 60.A OG1 THR 57.A O no hydrogen 3.338 N/A THR 60.A OG1 THR 57.A OG1 no hydrogen 3.276 N/A TYR 63.A N MET 16.A O no hydrogen 2.907 N/A THR 65.A N ASN 14.A O no hydrogen 3.142 N/A THR 65.A OG1 ARG 13.A O no hydrogen 2.823 N/A ILE 68.A N TYR 64.A O no hydrogen 2.999 N/A GLN 69.A N THR 65.A O no hydrogen 2.881 N/A TYR 70.A N LYS 66.A O no hydrogen 2.891 N/A LEU 71.A N ASP 67.A O no hydrogen 2.928 N/A LEU 72.A N ILE 68.A O no hydrogen 2.954 N/A LEU 72.A N GLN 69.A O no hydrogen 3.251 N/A HIS 73.A N TYR 70.A O no hydrogen 3.282 N/A GLU 74.A N LEU 71.A O no hydrogen 3.367 N/A LEU 77.A N GLU 74.A O no hydrogen 3.378 N/A PHE 80.A N LEU 76.A O no hydrogen 2.902 N/A ARG 81.A N LEU 77.A O no hydrogen 2.990 N/A ARG 81.A NH1 GLN 78.A OE1 no hydrogen 2.517 N/A GLU 82.A N GLN 78.A O no hydrogen 2.862 N/A GLN 83.A N LYS 79.A O no hydrogen 2.930 N/A LYS 84.A N PHE 80.A O no hydrogen 2.964 N/A ALA 85.A N ARG 81.A O no hydrogen 2.959 N/A LEU 86.A N GLU 82.A O no hydrogen 2.876 N/A GLU 87.A N GLN 83.A O no hydrogen 2.916 N/A LYS 88.A N LYS 84.A O no hydrogen 2.997 N/A LYS 89.A N ALA 85.A O no hydrogen 2.940 N/A ILE 90.A N LEU 86.A O no hydrogen 2.905 N/A SER 91.A N GLU 87.A O no hydrogen 2.937 N/A SER 91.A OG GLU 87.A O no hydrogen 3.057 N/A ARG 92.A N LYS 88.A O no hydrogen 2.923 N/A ALA 93.A N LYS 89.A O no hydrogen 2.933 N/A LEU 94.A N ILE 90.A O no hydrogen 2.935 N/A GLY 95.A N SER 91.A O no hydrogen 2.895 N/A ARG 96.A N ARG 92.A O no hydrogen 2.925 N/A GLY 97.A N LEU 94.A O no hydrogen 3.293 N/A ASP 98.A N ALA 93.A O no hydrogen 2.852 N/A ALA 102.A N ASP 98.A O no hydrogen 2.889 N/A ALA 103.A N VAL 99.A O no hydrogen 2.919 N/A ARG 104.A N SER 100.A O no hydrogen 2.932 N/A ARG 104.A NE ASN 101.A OD1 no hydrogen 3.529 N/A ARG 104.A NH2 ASN 101.A OD1 no hydrogen 3.326 N/A LEU 105.A N ASN 101.A O no hydrogen 2.897 N/A GLU 106.A N ALA 102.A O no hydrogen 2.869 N/A ARG 107.A N ALA 103.A O no hydrogen 2.963 N/A ASN 108.A N LEU 105.A O no hydrogen 3.130 N/A ALA 109.A N GLU 106.A O no hydrogen 3.120 N/A GLU 113.A N GLU 113.A OE1 no hydrogen 2.874 N/A LYS 114.A N LEU 111.A O no hydrogen 3.172 N/A THR 115.A N LEU 111.A O no hydrogen 2.940 N/A THR 115.A OG1 LEU 111.A O no hydrogen 3.033 N/A GLY 116.A N PRO 112.A O no hydrogen 2.888 N/A LYS 117.A N THR 115.A OG1 no hydrogen 3.172 N/A ARG 119.A NE GLN 83.A OE1 no hydrogen 3.122 N/A ARG 119.A NE ALA 109.A O no hydrogen 3.019 N/A ARG 119.A NH2 GLN 83.A OE1 no hydrogen 2.508 N/A ARG 119.A NH2 GLU 87.A OE2 no hydrogen 3.359 N/A HIS 124.A NE2 GLU 74.A OE2 no hydrogen 2.690 N/A ILE 126.A N LEU 122.A O no hydrogen 2.947 N/A ARG 127.A N ASN 123.A O no hydrogen 3.444 N/A GLU 128.A N HIS 124.A O no hydrogen 2.938 N/A ARG 129.A N ILE 125.A O no hydrogen 2.887 N/A TYR 130.A N ILE 126.A O no hydrogen 2.936 N/A TYR 130.A OH ASP 139.A OD2 no hydrogen 2.590 N/A THR 132.A OG1 ASP 135.A OD2 no hydrogen 2.670 N/A ASP 135.A N THR 132.A OG1 no hydrogen 3.402 N/A ALA 136.A N THR 132.A O no hydrogen 3.050 N/A LEU 137.A N PHE 133.A O no hydrogen 2.849 N/A ARG 138.A N GLN 134.A O no hydrogen 2.913 N/A ARG 138.A NH2 ASP 135.A OD1 no hydrogen 2.407 N/A ASP 139.A N ASP 135.A O no hydrogen 2.988 N/A LEU 140.A N LEU 137.A O no hydrogen 3.398 N/A CYS 143.A N ASP 139.A O no hydrogen 3.078 N/A CYS 143.A SG TYR 233.A O no hydrogen 3.279 N/A LEU 144.A N LEU 140.A O no hydrogen 2.815 N/A SER 145.A N ASP 141.A O no hydrogen 3.002 N/A SER 145.A OG ASP 141.A O no hydrogen 3.148 N/A MET 146.A N ASP 142.A O no hydrogen 2.978 N/A LEU 147.A N CYS 143.A O no hydrogen 2.957 N/A PHE 148.A N LEU 144.A O no hydrogen 2.891 N/A LEU 149.A N SER 145.A O no hydrogen 2.973 N/A PHE 150.A N MET 146.A O no hydrogen 2.943 N/A ALA 151.A N LEU 147.A O no hydrogen 2.924 N/A THR 156.A N VAL 159.A O no hydrogen 2.999 N/A THR 156.A OG1 VAL 159.A O no hydrogen 3.211 N/A VAL 159.A N THR 156.A OG1 no hydrogen 3.245 N/A LYS 162.A NZ THR 115.A O no hydrogen 3.545 N/A ILE 164.A N PRO 160.A O no hydrogen 2.942 N/A ALA 165.A N ALA 161.A O no hydrogen 2.896 N/A ARG 166.A N LYS 162.A O no hydrogen 2.918 N/A CYS 167.A N MET 163.A O no hydrogen 2.944 N/A CYS 167.A SG MET 163.A O no hydrogen 3.399 N/A GLU 168.A N ILE 164.A O no hydrogen 2.955 N/A ARG 169.A N ALA 165.A O no hydrogen 2.884 N/A LEU 170.A N ARG 166.A O no hydrogen 2.938 N/A CYS 171.A N CYS 167.A O no hydrogen 2.970 N/A CYS 171.A SG CYS 167.A O no hydrogen 3.293 N/A HIS 172.A N GLU 168.A O no hydrogen 2.910 N/A GLU 173.A N ARG 169.A O no hydrogen 2.940 N/A PHE 174.A N LEU 170.A O no hydrogen 2.975 N/A GLN 175.A N CYS 171.A O no hydrogen 2.930 N/A HIS 176.A N HIS 172.A O no hydrogen 2.890 N/A HIS 176.A NE2 LEU 267.A O no hydrogen 2.589 N/A TYR 177.A N GLU 173.A O no hydrogen 2.972 N/A LEU 178.A N PHE 174.A O no hydrogen 2.981 N/A ILE 179.A N GLN 175.A O no hydrogen 2.897 N/A VAL 180.A N HIS 176.A O no hydrogen 2.928 N/A THR 181.A N TYR 177.A O no hydrogen 2.963 N/A THR 181.A OG1 TYR 177.A O no hydrogen 2.404 N/A THR 181.A OG1 SER 183.A OG no hydrogen 2.890 N/A HIS 182.A N ILE 179.A O no hydrogen 3.403 N/A HIS 182.A ND1 ALA 304.A O no hydrogen 2.856 N/A SER 183.A N LEU 178.A O no hydrogen 3.206 N/A SER 183.A OG THR 181.A OG1 no hydrogen 2.890 N/A ARG 185.A N GLN 197.A O no hydrogen 2.853 N/A ARG 185.A NH1 HIS 182.A O no hydrogen 2.925 N/A ARG 185.A NH2 HIS 182.A O no hydrogen 3.029 N/A LYS 186.A N GLN 197.A O no hydrogen 2.925 N/A LYS 186.A NZ ASN 357.A O no hydrogen 2.565 N/A SER 187.A N ASN 357.A OD1 no hydrogen 3.154 N/A SER 187.A OG TYR 195.A O no hydrogen 3.189 N/A PHE 188.A N TYR 195.A O no hydrogen 2.911 N/A LEU 189.A N HIS 376.A NE2 no hydrogen 3.233 N/A SER 190.A N GLY 193.A O no hydrogen 2.908 N/A SER 190.A OG GLY 193.A O no hydrogen 3.211 N/A LYS 192.A N SER 190.A OG no hydrogen 3.014 N/A LYS 192.A NZ TYR 195.A OH no hydrogen 3.562 N/A GLY 193.A N SER 190.A OG no hydrogen 3.178 N/A ILE 194.A N VAL 209.A O no hydrogen 2.894 N/A TYR 195.A N PHE 188.A O no hydrogen 2.856 N/A TYR 196.A N TRP 207.A O no hydrogen 2.898 N/A GLN 197.A N LYS 186.A O no hydrogen 2.884 N/A ALA 198.A N ILE 205.A O no hydrogen 2.886 N/A ASN 199.A N SER 183.A O no hydrogen 3.011 N/A ASN 199.A ND2 ASP 204.A OD1 no hydrogen 2.452 N/A ILE 200.A N GLU 203.A O no hydrogen 3.122 N/A GLU 203.A N ILE 200.A O no hydrogen 3.142 N/A ILE 205.A N ALA 198.A O no hydrogen 2.888 N/A LEU 206.A N ASP 141.A OD1 no hydrogen 2.719 N/A TRP 207.A N TYR 196.A O no hydrogen 2.925 N/A LEU 208.A N SER 145.A OG no hydrogen 3.309 N/A VAL 209.A N ILE 194.A O no hydrogen 2.885 N/A TYR 211.A OH SER 190.A O no hydrogen 2.835 N/A ARG 216.A NH1 ASN 214.A OD1 no hydrogen 3.226 N/A MET 226.A N ASP 222.A O no hydrogen 2.981 N/A GLY 227.A N PHE 223.A O no hydrogen 2.870 N/A THR 228.A N ARG 224.A O no hydrogen 2.987 N/A THR 228.A OG1 ILE 225.A O no hydrogen 2.373 N/A PHE 229.A N ILE 225.A O no hydrogen 3.006 N/A VAL 230.A N MET 226.A O no hydrogen 2.900 N/A GLU 231.A N GLY 227.A O no hydrogen 2.921 N/A PHE 232.A N THR 228.A O no hydrogen 3.035 N/A TYR 233.A N PHE 229.A O no hydrogen 2.906 N/A MET 234.A N VAL 230.A O no hydrogen 2.891 N/A THR 235.A N GLU 231.A O no hydrogen 3.076 N/A THR 235.A OG1 GLU 231.A O no hydrogen 2.658 N/A LEU 236.A N PHE 232.A O no hydrogen 2.972 N/A LEU 237.A N TYR 233.A O no hydrogen 2.880 N/A GLY 238.A N MET 234.A O no hydrogen 2.988 N/A VAL 240.A N LEU 236.A O no hydrogen 2.982 N/A ASN 241.A N LEU 237.A O no hydrogen 2.866 N/A ASN 241.A ND2 LEU 170.A O no hydrogen 3.185 N/A TYR 242.A N GLY 238.A O no hydrogen 2.968 N/A ARG 243.A N PHE 239.A O no hydrogen 2.949 N/A LEU 244.A N VAL 240.A O no hydrogen 2.950 N/A TYR 245.A N ASN 241.A O no hydrogen 2.941 N/A TYR 245.A OH GLU 173.A O no hydrogen 2.786 N/A THR 246.A N TYR 242.A O no hydrogen 2.928 N/A THR 246.A OG1 TYR 242.A O no hydrogen 2.826 N/A SER 247.A N ARG 243.A O no hydrogen 2.872 N/A SER 247.A OG LEU 244.A O no hydrogen 2.711 N/A ILE 248.A N LEU 244.A O no hydrogen 2.993 N/A GLY 249.A N THR 246.A O no hydrogen 3.061 N/A LEU 250.A N TYR 245.A O no hydrogen 2.658 N/A LYS 251.A N GLU 273.A O no hydrogen 3.197 N/A LYS 251.A NZ GLU 273.A OE1 no hydrogen 3.453 N/A TYR 252.A OH GLU 173.A OE1 no hydrogen 2.723 N/A ASP 257.A N ALA 269.A O no hydrogen 3.148 N/A ASP 261.A N ASP 257.A O no hydrogen 2.929 N/A ASP 262.A N GLN 258.A O no hydrogen 2.879 N/A GLN 263.A N VAL 259.A O no hydrogen 2.928 N/A GLY 264.A N LYS 260.A O no hydrogen 2.899 N/A GLY 264.A N ASP 261.A O no hydrogen 3.132 N/A ALA 265.A N LYS 260.A O no hydrogen 2.804 N/A ALA 268.A N ALA 265.A O no hydrogen 2.872 N/A ALA 269.A N GLU 266.A O no hydrogen 3.516 N/A SER 271.A N LYS 255.A O no hydrogen 3.062 N/A LEU 275.A N GLY 249.A O no hydrogen 3.338 N/A SER 279.A OG GLN 280.A OE1 no hydrogen 2.582 N/A GLN 280.A N ASP 277.A O no hydrogen 3.332 N/A LEU 281.A N PHE 305.A O no hydrogen 3.191 N/A PHE 282.A N PHE 305.A O no hydrogen 3.296 N/A THR 286.A N THR 331.A OG1 no hydrogen 2.875 N/A THR 286.A OG1 ARG 329.A O no hydrogen 3.390 N/A PHE 287.A N ARG 309.A O no hydrogen 2.938 N/A PHE 288.A N HIS 332.A O no hydrogen 2.902 N/A LEU 289.A N GLY 311.A O no hydrogen 2.883 N/A SER 290.A N ILE 334.A O no hydrogen 2.998 N/A ARG 291.A NE ASP 313.A OD2 no hydrogen 2.667 N/A ARG 291.A NH2 ASP 313.A OD2 no hydrogen 3.276 N/A GLU 292.A N GLU 292.A OE1 no hydrogen 2.785 N/A THR 293.A N SER 290.A O no hydrogen 3.246 N/A THR 293.A OG1 SER 290.A O no hydrogen 2.519 N/A ARG 295.A NE GLU 299.A OE1 no hydrogen 3.344 N/A ARG 295.A NH1 GLY 264.A O no hydrogen 3.203 N/A ARG 295.A NH1 LEU 316.A O no hydrogen 2.576 N/A ARG 295.A NH2 ALA 265.A O no hydrogen 2.907 N/A ARG 295.A NH2 GLU 299.A OE1 no hydrogen 3.323 N/A LEU 298.A N PRO 294.A O no hydrogen 3.018 N/A GLU 299.A N ARG 295.A O no hydrogen 2.829 N/A PHE 300.A N GLN 296.A O no hydrogen 2.962 N/A ILE 301.A N PRO 297.A O no hydrogen 2.921 N/A LEU 302.A N LEU 298.A O no hydrogen 2.938 N/A ARG 303.A N GLU 299.A O no hydrogen 2.904 N/A ARG 303.A NH2 GLU 299.A OE2 no hydrogen 3.156 N/A ALA 304.A N PHE 300.A O no hydrogen 2.911 N/A PHE 305.A N ILE 301.A O no hydrogen 2.919 N/A CYS 307.A N LEU 302.A O no hydrogen 2.688 N/A CYS 307.A SG PHE 285.A O no hydrogen 3.509 N/A CYS 307.A SG ARG 309.A O no hydrogen 3.559 N/A ARG 309.A NE THR 286.A OG1 no hydrogen 3.044 N/A GLY 311.A N PHE 287.A O no hydrogen 2.875 N/A TRP 312.A NE1 GLY 317.A O no hydrogen 2.976 N/A ASP 313.A N LEU 289.A O no hydrogen 2.969 N/A ALA 314.A N ASP 313.A OD1 no hydrogen 2.689 N/A LEU 316.A N ASP 313.A O no hydrogen 3.180 N/A PHE 321.A N ILE 310.A O no hydrogen 2.930 N/A THR 322.A OG1 ASP 327.A OD2 no hydrogen 2.914 N/A SER 326.A OG ASP 324.A OD2 no hydrogen 3.314 N/A ARG 329.A N ASP 327.A OD1 no hydrogen 3.369 N/A ARG 329.A NE ASP 327.A OD1 no hydrogen 2.785 N/A ARG 329.A NE ASP 327.A OD2 no hydrogen 3.175 N/A ARG 329.A NH2 ASP 327.A OD2 no hydrogen 2.531 N/A ILE 330.A N ASP 327.A O no hydrogen 3.357 N/A THR 331.A N THR 286.A O no hydrogen 2.937 N/A THR 331.A OG1 THR 286.A O no hydrogen 2.885 N/A THR 331.A OG1 HIS 332.A ND1 no hydrogen 2.777 N/A HIS 332.A N THR 286.A O no hydrogen 2.921 N/A HIS 332.A ND1 THR 331.A OG1 no hydrogen 2.777 N/A GLN 333.A N ILE 345.A O no hydrogen 2.871 N/A GLN 333.A NE2 SER 290.A OG no hydrogen 3.275 N/A GLN 333.A NE2 GLU 325.A OE2 no hydrogen 2.400 N/A ILE 334.A N PHE 288.A O no hydrogen 2.881 N/A ILE 335.A N VAL 347.A O no hydrogen 2.971 N/A ASP 336.A N GLU 292.A OE2 no hydrogen 2.808 N/A ARG 337.A NH1 GLU 292.A OE1 no hydrogen 3.402 N/A TYR 341.A N TYR 346.A OH no hydrogen 3.036 N/A ARG 344.A NH1 GLU 325.A O no hydrogen 2.773 N/A ARG 344.A NH1 GLN 333.A OE1 no hydrogen 3.228 N/A ARG 344.A NH2 GLU 325.A O no hydrogen 3.084 N/A ILE 345.A N THR 331.A O no hydrogen 2.908 N/A VAL 347.A N GLN 333.A O no hydrogen 2.951 N/A GLN 348.A N TYR 367.A O no hydrogen 3.183 N/A GLN 348.A NE2 ALA 368.A O no hydrogen 3.315 N/A GLN 348.A NE2 ALA 371.A O no hydrogen 3.388 N/A GLN 350.A NE2 ASP 354.A OD2 no hydrogen 3.018 N/A GLN 350.A NE2 PRO 374.A O no hydrogen 2.610 N/A TRP 351.A N GLN 348.A O no hydrogen 3.253 N/A TRP 351.A NE1 LYS 362.A O no hydrogen 2.912 N/A VAL 352.A N PRO 349.A O no hydrogen 3.258 N/A TRP 353.A NE1 SER 187.A OG no hydrogen 2.985 N/A ASP 354.A N GLN 350.A O no hydrogen 2.934 N/A SER 355.A N TRP 351.A O no hydrogen 2.904 N/A SER 355.A OG TRP 351.A O no hydrogen 2.823 N/A SER 355.A OG VAL 352.A O no hydrogen 2.691 N/A ILE 356.A N VAL 352.A O no hydrogen 2.948 N/A ASN 357.A N TRP 353.A O no hydrogen 2.916 N/A ASN 357.A ND2 SER 187.A O no hydrogen 2.744 N/A ASP 358.A N ASP 354.A O no hydrogen 2.949 N/A GLU 360.A N SER 355.A O no hydrogen 3.251 N/A LYS 362.A NZ ASP 358.A OD2 no hydrogen 2.716 N/A LYS 362.A NZ GLU 360.A OE2 no hydrogen 2.952 N/A GLU 365.A N GLU 365.A OE1 no hydrogen 2.914 N/A TYR 367.A N PRO 364.A O no hydrogen 3.182 N/A TYR 367.A OH ASP 354.A OD2 no hydrogen 2.296 N/A ALA 371.A N ALA 368.A O no hydrogen 3.203 N/A HIS 376.A ND1 ASP 354.A OD1 no hydrogen 2.994 N/A