Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jit_R.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N ASP 4.A OD1 no hydrogen 2.723 N/A LEU 6.A N VAL 2.A O no hydrogen 2.657 N/A PHE 7.A N MET 3.A O no hydrogen 2.874 N/A GLU 8.A N ASP 4.A O no hydrogen 2.930 N/A LYS 9.A N PHE 5.A O no hydrogen 2.879 N/A LYS 9.A NZ PHE 5.A O no hydrogen 3.507 N/A TRP 10.A N LEU 6.A O no hydrogen 2.861 N/A TRP 10.A NE1 LYS 38.A O no hydrogen 3.240 N/A LYS 11.A N PHE 7.A O no hydrogen 2.972 N/A LEU 12.A N GLU 8.A O no hydrogen 2.899 N/A TYR 13.A N LYS 9.A O no hydrogen 2.871 N/A GLY 14.A N TRP 10.A O no hydrogen 2.867 N/A ASP 15.A N LYS 11.A O no hydrogen 2.944 N/A GLN 16.A N LEU 12.A O no hydrogen 2.918 N/A CYS 17.A N TYR 13.A O no hydrogen 2.890 N/A CYS 17.A SG TYR 13.A O no hydrogen 3.028 N/A HIS 18.A N GLY 14.A O no hydrogen 2.911 N/A HIS 19.A N ASP 15.A O no hydrogen 2.912 N/A ASN 20.A N GLN 16.A O no hydrogen 2.887 N/A LEU 21.A N CYS 17.A O no hydrogen 2.524 N/A SER 22.A OG HIS 18.A O no hydrogen 2.294 N/A LEU 23.A N ASN 20.A O no hydrogen 3.069 N/A CYS 32.A N THR 45.A O no hydrogen 3.038 N/A CYS 32.A SG THR 45.A O no hydrogen 3.079 N/A ARG 34.A NH1 ASP 44.A OD2 no hydrogen 2.333 N/A ARG 34.A NH2 LEU 24.A O no hydrogen 2.603 N/A ARG 34.A NH2 PRO 25.A O no hydrogen 2.834 N/A CYS 41.A N TYR 13.A OH no hydrogen 2.602 N/A CYS 41.A SG TYR 13.A OH no hydrogen 3.478 N/A ALA 47.A N LEU 30.A O no hydrogen 2.771 N/A THR 49.A N CYS 74.A O no hydrogen 2.948 N/A THR 49.A OG1 ALA 47.A O no hydrogen 3.334 N/A ALA 51.A N LYS 72.A O no hydrogen 2.839 N/A ILE 53.A N VAL 70.A O no hydrogen 2.928 N/A SER 54.A OG CYS 55.A O no hydrogen 3.486 N/A CYS 55.A SG PRO 56.A O no hydrogen 4.048 N/A TYR 58.A OH TYR 39.A O no hydrogen 2.767 N/A HIS 62.A N LEU 59.A O no hydrogen 3.105 N/A LYS 64.A N TRP 61.A O no hydrogen 3.318 N/A VAL 65.A N HIS 62.A O no hydrogen 2.912 N/A GLN 66.A NE2 HIS 63.A O no hydrogen 2.673 N/A ARG 68.A N VAL 65.A O no hydrogen 3.044 N/A VAL 70.A N ILE 53.A O no hydrogen 2.874 N/A LYS 72.A N ALA 51.A O no hydrogen 2.968 N/A LYS 72.A NZ ASP 37.A OD2 no hydrogen 3.084 N/A CYS 74.A N THR 49.A O no hydrogen 2.888 N/A CYS 74.A SG THR 45.A O no hydrogen 3.509 N/A CYS 74.A SG PRO 46.A O no hydrogen 3.846 N/A CYS 74.A SG THR 49.A O no hydrogen 3.772 N/A GLY 75.A N GLN 79.A O no hydrogen 2.889 N/A GLY 78.A N GLY 75.A O no hydrogen 3.221 N/A GLN 79.A N ASP 77.A OD1 no hydrogen 3.334 N/A TRP 80.A N GLN 79.A OE1 no hydrogen 3.404 N/A ARG 82.A NE GLY 86.A O no hydrogen 3.152 N/A ARG 82.A NH1 GLN 79.A OE1 no hydrogen 3.390 N/A ARG 85.A NH1 ARG 85.A O no hydrogen 3.439 N/A GLY 86.A N GLY 83.A O no hydrogen 3.365 N/A ALA 92.A N ARG 90.A O no hydrogen 2.853 N/A SER 93.A OG ASP 91.A OD1 no hydrogen 3.113 N/A CYS 95.A N ALA 92.A O no hydrogen 3.107 N/A GLN 96.A NE2 SER 93.A O no hydrogen 2.692 N/A ASP 98.A N GLU 101.A OE2 no hydrogen 2.970 N/A GLU 101.A N ASP 98.A O no hydrogen 3.311 N/A GLU 101.A N GLU 101.A OE1 no hydrogen 2.449 N/A GLN 105.A N GLU 101.A O no hydrogen 2.896 N/A LYS 106.A N ILE 102.A O no hydrogen 2.929 N/A GLU 107.A N GLU 103.A O no hydrogen 2.943 N/A VAL 108.A N VAL 104.A O no hydrogen 2.929 N/A ALA 109.A N GLN 105.A O no hydrogen 2.904 N/A LYS 110.A N LYS 106.A O no hydrogen 2.923 N/A MET 111.A N GLU 107.A O no hydrogen 2.897 N/A TYR 112.A N VAL 108.A O no hydrogen 2.920 N/A SER 113.A N ALA 109.A O no hydrogen 2.918 N/A SER 114.A N LYS 110.A O no hydrogen 2.916 N/A PHE 115.A N MET 111.A O no hydrogen 2.919 N/A GLN 116.A N TYR 112.A O no hydrogen 2.992 N/A VAL 117.A N SER 113.A O no hydrogen 2.953 N/A MET 118.A N SER 114.A O no hydrogen 2.907 N/A TYR 119.A N PHE 115.A O no hydrogen 2.954 N/A TYR 119.A OH ASP 169.A OD2 no hydrogen 2.766 N/A THR 120.A N GLN 116.A O no hydrogen 2.951 N/A THR 120.A OG1 GLN 116.A O no hydrogen 2.941 N/A VAL 121.A N VAL 117.A O no hydrogen 3.023 N/A GLY 122.A N MET 118.A O no hydrogen 3.240 N/A TYR 123.A N TYR 119.A O no hydrogen 2.858 N/A SER 124.A N THR 120.A O no hydrogen 3.014 N/A SER 124.A OG THR 120.A O no hydrogen 3.103 N/A LEU 125.A N VAL 121.A O no hydrogen 2.995 N/A SER 126.A N GLY 122.A O no hydrogen 2.869 N/A SER 126.A OG GLY 122.A O no hydrogen 3.154 N/A SER 126.A OG TYR 123.A O no hydrogen 2.686 N/A LEU 127.A N TYR 123.A O no hydrogen 2.859 N/A GLY 128.A N SER 124.A O no hydrogen 3.017 N/A ALA 129.A N LEU 125.A O no hydrogen 2.928 N/A LEU 130.A N SER 126.A O no hydrogen 2.839 N/A LEU 131.A N LEU 127.A O no hydrogen 2.943 N/A ALA 133.A N ALA 129.A O no hydrogen 2.923 N/A LEU 134.A N LEU 130.A O no hydrogen 2.855 N/A ALA 135.A N LEU 131.A O no hydrogen 2.938 N/A ILE 136.A N LEU 132.A O no hydrogen 2.906 N/A LEU 137.A N ALA 133.A O no hydrogen 2.898 N/A GLY 138.A N LEU 134.A O no hydrogen 2.901 N/A GLY 139.A N ILE 136.A O no hydrogen 3.437 N/A SER 141.A N GLU 384.A OE1 no hydrogen 3.281 N/A SER 141.A OG GLU 384.A OE1 no hydrogen 3.021 N/A ASN 148.A ND2 LYS 142.A O no hydrogen 3.024 N/A ALA 149.A N CYS 145.A O no hydrogen 3.012 N/A ILE 150.A N ARG 147.A O no hydrogen 3.039 N/A HIS 151.A N ARG 147.A O no hydrogen 3.198 N/A ALA 152.A N ASN 148.A O no hydrogen 2.897 N/A LEU 154.A N ILE 150.A O no hydrogen 2.903 N/A PHE 155.A N HIS 151.A O no hydrogen 2.885 N/A ALA 156.A N ALA 152.A O no hydrogen 2.907 N/A SER 157.A N ASN 153.A O no hydrogen 2.889 N/A PHE 158.A N LEU 154.A O no hydrogen 2.913 N/A VAL 159.A N PHE 155.A O no hydrogen 2.898 N/A LEU 160.A N ALA 156.A O no hydrogen 2.893 N/A LYS 161.A N SER 157.A O no hydrogen 2.908 N/A ALA 162.A N PHE 158.A O no hydrogen 2.929 N/A SER 163.A N VAL 159.A O no hydrogen 2.911 N/A SER 163.A OG VAL 159.A O no hydrogen 3.152 N/A SER 163.A OG LEU 160.A O no hydrogen 2.908 N/A SER 164.A N LEU 160.A O no hydrogen 2.908 N/A VAL 165.A N LYS 161.A O no hydrogen 2.928 N/A LEU 166.A N ALA 162.A O no hydrogen 2.942 N/A VAL 167.A N SER 163.A O no hydrogen 2.898 N/A ILE 168.A N SER 164.A O no hydrogen 2.910 N/A ASP 169.A N VAL 165.A O no hydrogen 2.952 N/A GLY 170.A N LEU 166.A O no hydrogen 3.046 N/A LEU 171.A N VAL 167.A O no hydrogen 2.893 N/A LEU 172.A N ILE 168.A O no hydrogen 2.923 N/A ARG 173.A N ASP 169.A O no hydrogen 2.925 N/A THR 174.A N GLY 170.A O no hydrogen 2.894 N/A THR 174.A OG1 GLY 170.A O no hydrogen 3.332 N/A ARG 175.A N LEU 171.A O no hydrogen 2.902 N/A ARG 175.A NH1 TRP 189.A O no hydrogen 2.851 N/A ARG 175.A NH2 TRP 189.A O no hydrogen 2.969 N/A TYR 176.A N LEU 172.A O no hydrogen 2.924 N/A TYR 176.A N ARG 173.A O no hydrogen 2.889 N/A SER 177.A N THR 174.A O no hydrogen 3.404 N/A SER 177.A OG ARG 173.A O no hydrogen 2.647 N/A ASP 182.A N SER 185.A OG no hydrogen 3.189 N/A SER 185.A OG ASP 182.A O no hydrogen 2.840 N/A VAL 186.A N ASP 182.A O no hydrogen 3.333 N/A SER 187.A N ASP 183.A O no hydrogen 3.009 N/A SER 187.A OG ASP 183.A O no hydrogen 2.811 N/A THR 188.A N LEU 184.A O no hydrogen 3.042 N/A THR 188.A OG1 LEU 184.A O no hydrogen 3.478 N/A THR 188.A OG1 SER 185.A O no hydrogen 2.912 N/A TRP 189.A N SER 185.A O no hydrogen 3.166 N/A TRP 189.A NE1 ARG 175.A O no hydrogen 2.830 N/A LEU 190.A N VAL 186.A O no hydrogen 2.787 N/A SER 191.A N THR 188.A O no hydrogen 3.057 N/A SER 191.A OG THR 188.A O no hydrogen 2.383 N/A VAL 195.A N ASP 192.A O no hydrogen 3.235 N/A ARG 199.A N VAL 195.A O no hydrogen 2.885 N/A ARG 199.A NE GLN 267.A O no hydrogen 3.177 N/A ARG 199.A NH2 ASN 265.A OD1 no hydrogen 2.287 N/A ARG 199.A NH2 GLN 267.A O no hydrogen 3.522 N/A VAL 200.A N ALA 196.A O no hydrogen 2.929 N/A ALA 201.A N GLY 197.A O no hydrogen 2.907 N/A ALA 202.A N CYS 198.A O no hydrogen 2.896 N/A VAL 203.A N ARG 199.A O no hydrogen 2.938 N/A PHE 204.A N VAL 200.A O no hydrogen 2.913 N/A MET 205.A N ALA 201.A O no hydrogen 2.877 N/A GLN 206.A N ALA 202.A O no hydrogen 2.940 N/A TYR 207.A N VAL 203.A O no hydrogen 2.930 N/A TYR 207.A OH TRP 246.A O no hydrogen 2.817 N/A GLY 208.A N PHE 204.A O no hydrogen 2.893 N/A ILE 209.A N MET 205.A O no hydrogen 2.936 N/A VAL 210.A N GLN 206.A O no hydrogen 2.948 N/A ALA 211.A N TYR 207.A O no hydrogen 2.868 N/A ASN 212.A N GLY 208.A O no hydrogen 2.943 N/A TYR 213.A OH HIS 335.A NE2 no hydrogen 3.315 N/A CYS 214.A N VAL 210.A O no hydrogen 2.977 N/A TRP 215.A N ALA 211.A O no hydrogen 2.873 N/A LEU 216.A N ASN 212.A O no hydrogen 2.939 N/A LEU 217.A N TYR 213.A O no hydrogen 2.920 N/A VAL 218.A N CYS 214.A O no hydrogen 2.858 N/A GLU 219.A N TRP 215.A O no hydrogen 2.886 N/A GLY 220.A N LEU 216.A O no hydrogen 2.962 N/A LEU 221.A N LEU 217.A O no hydrogen 2.877 N/A TYR 222.A N VAL 218.A O no hydrogen 2.841 N/A LEU 223.A N GLU 219.A O no hydrogen 2.929 N/A HIS 224.A N GLY 220.A O no hydrogen 2.899 N/A ASN 225.A N LEU 221.A O no hydrogen 2.786 N/A LEU 226.A N TYR 222.A O no hydrogen 2.905 N/A LEU 227.A N HIS 224.A O no hydrogen 3.318 N/A GLY 228.A N HIS 224.A O no hydrogen 3.415 N/A THR 231.A OG1 LEU 232.A O no hydrogen 3.503 N/A PHE 238.A N SER 236.A OG no hydrogen 3.301 N/A LEU 240.A N PHE 237.A O no hydrogen 2.981 N/A TYR 241.A N PHE 237.A O no hydrogen 3.238 N/A LEU 242.A N PHE 238.A O no hydrogen 3.065 N/A GLY 243.A N SER 239.A O no hydrogen 3.318 N/A ILE 244.A N LEU 240.A O no hydrogen 3.090 N/A ILE 244.A N TYR 241.A O no hydrogen 3.275 N/A TRP 246.A N LEU 242.A O no hydrogen 2.964 N/A MET 250.A N GLY 247.A O no hydrogen 3.211 N/A PHE 252.A N PRO 249.A O no hydrogen 2.841 N/A VAL 253.A N PRO 249.A O no hydrogen 2.747 N/A VAL 253.A N MET 250.A O no hydrogen 3.149 N/A VAL 254.A N MET 250.A O no hydrogen 2.919 N/A ALA 257.A N VAL 253.A O no hydrogen 2.871 N/A VAL 258.A N VAL 254.A O no hydrogen 2.910 N/A VAL 259.A N PRO 255.A O no hydrogen 2.908 N/A LYS 260.A N TRP 256.A O no hydrogen 2.894 N/A CYS 261.A N ALA 257.A O no hydrogen 2.903 N/A LEU 262.A N VAL 258.A O no hydrogen 2.922 N/A PHE 263.A N VAL 259.A O no hydrogen 2.925 N/A ASN 265.A ND2 CYS 261.A O no hydrogen 3.425 N/A GLN 267.A N GLN 267.A OE1 no hydrogen 2.640 N/A GLN 267.A NE2 TYR 176.A OH no hydrogen 3.507 N/A ASN 274.A N ASP 273.A OD1 no hydrogen 2.797 N/A LEU 281.A N TRP 278.A O no hydrogen 3.014 N/A PHE 283.A N TRP 279.A O no hydrogen 2.866 N/A PHE 286.A N ARG 282.A O no hydrogen 3.036 N/A LEU 287.A N PHE 283.A O no hydrogen 2.879 N/A ALA 288.A N PRO 284.A O no hydrogen 2.639 N/A ILE 289.A N PHE 286.A O no hydrogen 3.273 N/A LEU 290.A N PHE 286.A O no hydrogen 3.149 N/A ILE 291.A N LEU 287.A O no hydrogen 3.384 N/A PHE 294.A N LEU 290.A O no hydrogen 2.910 N/A VAL 297.A N PHE 293.A O no hydrogen 3.053 N/A ARG 298.A N PHE 294.A O no hydrogen 3.131 N/A ILE 299.A N ILE 295.A O no hydrogen 2.635 N/A VAL 300.A N PHE 296.A O no hydrogen 2.946 N/A GLN 301.A N VAL 297.A O no hydrogen 3.394 N/A LEU 302.A N ARG 298.A O no hydrogen 3.117 N/A LEU 303.A N ILE 299.A O no hydrogen 2.883 N/A VAL 304.A N VAL 300.A O no hydrogen 2.897 N/A ALA 305.A N GLN 301.A O no hydrogen 2.911 N/A LYS 306.A N LEU 302.A O no hydrogen 2.856 N/A LEU 307.A N VAL 304.A O no hydrogen 3.126 N/A ARG 308.A N VAL 304.A O no hydrogen 3.105 N/A TYR 317.A N HIS 314.A O no hydrogen 2.916 N/A LEU 321.A N TYR 317.A O no hydrogen 3.392 N/A ALA 322.A N LYS 318.A O no hydrogen 2.720 N/A LYS 323.A N ARG 320.A O no hydrogen 3.395 N/A SER 324.A N ARG 320.A O no hydrogen 3.445 N/A THR 325.A OG1 LEU 321.A O no hydrogen 3.318 N/A THR 327.A N SER 324.A O no hydrogen 3.273 N/A THR 327.A OG1 LYS 323.A O no hydrogen 2.555 N/A LEU 328.A N SER 324.A O no hydrogen 2.982 N/A LEU 332.A N ILE 329.A O no hydrogen 3.258 N/A VAL 334.A N LEU 332.A O no hydrogen 2.533 N/A THR 343.A OG1 GLU 345.A O no hydrogen 3.287 N/A ARG 352.A NH1 ASP 344.A O no hydrogen 2.962 N/A ARG 352.A NH1 ALA 347.A O no hydrogen 3.024 N/A SER 353.A N GLY 349.A O no hydrogen 2.931 N/A SER 353.A OG GLY 349.A O no hydrogen 3.498 N/A SER 353.A OG THR 350.A O no hydrogen 2.678 N/A ALA 354.A N THR 350.A O no hydrogen 2.879 N/A LYS 355.A N LEU 351.A O no hydrogen 2.905 N/A LYS 355.A NZ VAL 338.A O no hydrogen 2.805 N/A LYS 355.A NZ VAL 342.A O no hydrogen 3.407 N/A LEU 356.A N ARG 352.A O no hydrogen 2.934 N/A PHE 357.A N SER 353.A O no hydrogen 2.900 N/A PHE 358.A N ALA 354.A O no hydrogen 2.895 N/A ASP 359.A N LYS 355.A O no hydrogen 3.194 N/A LEU 360.A N LEU 356.A O no hydrogen 3.074 N/A PHE 361.A N PHE 357.A O no hydrogen 2.940 N/A LEU 362.A N PHE 358.A O no hydrogen 2.915 N/A SER 363.A N ASP 359.A O no hydrogen 2.598 N/A SER 363.A OG ASP 359.A O no hydrogen 3.280 N/A SER 363.A OG ASP 359.A OD2 no hydrogen 3.158 N/A SER 364.A N LEU 360.A O no hydrogen 2.785 N/A SER 364.A OG LEU 360.A O no hydrogen 2.706 N/A SER 364.A OG PHE 361.A O no hydrogen 2.731 N/A PHE 365.A N PHE 361.A O no hydrogen 3.012 N/A LEU 369.A N PHE 365.A O no hydrogen 2.937 N/A VAL 370.A N GLN 366.A O no hydrogen 2.881 N/A ALA 371.A N GLY 367.A O no hydrogen 2.927 N/A VAL 372.A N LEU 368.A O no hydrogen 2.916 N/A LEU 373.A N LEU 369.A O no hydrogen 2.899 N/A TYR 374.A N VAL 370.A O no hydrogen 2.925 N/A CYS 375.A N ALA 371.A O no hydrogen 2.896 N/A CYS 375.A SG ALA 133.A O no hydrogen 4.010 N/A CYS 375.A SG TYR 374.A O no hydrogen 3.286 N/A PHE 376.A N VAL 372.A O no hydrogen 3.300 N/A LEU 377.A N VAL 372.A O no hydrogen 3.052 N/A VAL 381.A N ASN 378.A OD1 no hydrogen 3.046 N/A GLN 382.A N ASN 378.A O no hydrogen 2.899 N/A SER 383.A N LYS 379.A O no hydrogen 2.838 N/A GLU 384.A N GLU 380.A O no hydrogen 2.866 N/A LEU 385.A N VAL 381.A O no hydrogen 3.077 N/A ARG 386.A N GLN 382.A O no hydrogen 2.791 N/A ARG 387.A N SER 383.A O no hydrogen 2.861 N/A ARG 388.A N GLU 384.A O no hydrogen 3.048 N/A TRP 389.A N LEU 385.A O no hydrogen 2.906 N/A HIS 390.A N ARG 386.A O no hydrogen 2.890 N/A ARG 391.A N ARG 387.A O no hydrogen 2.910 N/A TRP 392.A N ARG 388.A O no hydrogen 2.926 N/A ARG 393.A N HIS 390.A O no hydrogen 3.192 N/A GLY 395.A N TRP 392.A O no hydrogen 3.085 N/A