Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xsj_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 6.A N SER 4.A OG no hydrogen 3.141 N/A TYR 7.A N SER 5.A OG no hydrogen 3.307 N/A GLU 10.A N ASN 8.A OD1 no hydrogen 2.974 N/A LYS 11.A N ASN 8.A O no hydrogen 2.905 N/A GLU 14.A N LYS 11.A O no hydrogen 3.234 N/A ARG 16.A NE PRO 12.A O no hydrogen 3.156 N/A ARG 16.A NH2 PRO 12.A O no hydrogen 2.790 N/A SER 18.A OG ASP 19.A OD1 no hydrogen 2.619 N/A ARG 23.A NE ASP 27.A OD2 no hydrogen 2.901 N/A ARG 23.A NH2 ASP 27.A OD2 no hydrogen 3.148 N/A HIS 24.A ND1 SER 26.A OG no hydrogen 2.872 N/A SER 26.A N HIS 24.A ND1 no hydrogen 3.121 N/A SER 26.A OG HIS 24.A ND1 no hydrogen 2.872 N/A ASP 27.A N HIS 24.A O no hydrogen 2.988 N/A PHE 28.A N ALA 25.A O no hydrogen 2.835 N/A ILE 33.A N PRO 30.A O no hydrogen 3.059 N/A ALA 34.A N PRO 30.A O no hydrogen 3.036 N/A LYS 35.A N PRO 31.A O no hydrogen 2.919 N/A LYS 35.A NZ ASP 59.A OD2 no hydrogen 2.920 N/A ASN 36.A N ILE 33.A O no hydrogen 3.196 N/A ASN 36.A ND2 VAL 32.A O no hydrogen 2.912 N/A ASN 36.A ND2 ASP 59.A OD2 no hydrogen 2.944 N/A LYS 37.A N ILE 33.A O no hydrogen 2.894 N/A GLN 39.A N ASN 36.A O no hydrogen 2.784 N/A LEU 41.A N LYS 54.A O no hydrogen 2.832 N/A TRP 42.A N LYS 54.A O no hydrogen 3.270 N/A GLU 44.A N MET 52.A O no hydrogen 2.878 N/A CYS 46.A N ILE 50.A O no hydrogen 2.778 N/A CYS 46.A SG GLU 44.A OE2 no hydrogen 3.457 N/A GLY 49.A N THR 134.A OG1 no hydrogen 2.862 N/A ILE 50.A N GLU 47.A O no hydrogen 2.803 N/A LEU 51.A N THR 63.A O no hydrogen 2.720 N/A MET 52.A N GLU 44.A O no hydrogen 2.895 N/A HIS 53.A N VAL 61.A O no hydrogen 2.972 N/A LYS 54.A N TRP 42.A O no hydrogen 2.728 N/A LYS 54.A NZ GLY 58.A O no hydrogen 3.041 N/A LYS 54.A NZ GLU 60.A OE2 no hydrogen 2.632 N/A ALA 55.A N ASP 59.A O no hydrogen 2.840 N/A GLU 56.A N GLN 39.A O no hydrogen 2.868 N/A SER 57.A OG ASN 36.A OD1 no hydrogen 2.834 N/A GLY 58.A N ALA 55.A O no hydrogen 2.960 N/A ASP 59.A N SER 57.A OG no hydrogen 3.059 N/A VAL 61.A N HIS 53.A O no hydrogen 3.077 N/A TYR 62.A N VAL 104.A O no hydrogen 2.903 N/A TYR 62.A OH GLU 60.A OE1 no hydrogen 2.758 N/A THR 63.A N LEU 51.A O no hydrogen 2.723 N/A VAL 64.A N PHE 102.A O no hydrogen 2.891 N/A ARG 65.A N GLY 49.A O no hydrogen 2.744 N/A ARG 65.A NE GLU 101.A OE2 no hydrogen 2.908 N/A ARG 65.A NH1 GLY 133.A O no hydrogen 2.832 N/A ARG 65.A NH2 GLU 101.A OE2 no hydrogen 2.846 N/A CYS 66.A N ILE 100.A O no hydrogen 2.856 N/A CYS 66.A SG GLY 67.A O no hydrogen 3.943 N/A CYS 66.A SG ILE 100.A O no hydrogen 3.946 N/A GLY 67.A N PRO 130.A O no hydrogen 2.792 N/A HIS 76.A N SER 73.A OG no hydrogen 3.006 N/A ILE 77.A N SER 73.A O no hydrogen 3.081 N/A ARG 78.A N VAL 74.A O no hydrogen 2.765 N/A GLU 79.A N GLY 75.A O no hydrogen 3.000 N/A ILE 80.A N HIS 76.A O no hydrogen 2.913 N/A CYS 81.A N ILE 77.A O no hydrogen 2.831 N/A CYS 81.A SG ILE 77.A O no hydrogen 3.526 N/A ALA 82.A N ARG 78.A O no hydrogen 2.762 N/A ILE 83.A N GLU 79.A O no hydrogen 2.942 N/A ALA 84.A N ILE 80.A O no hydrogen 2.910 N/A ASP 85.A N CYS 81.A O no hydrogen 2.677 N/A LYS 86.A N ALA 82.A O no hydrogen 3.036 N/A LYS 86.A N ILE 83.A O no hydrogen 3.175 N/A PHE 87.A N ILE 83.A O no hydrogen 3.012 N/A CYS 88.A N ALA 84.A O no hydrogen 2.748 N/A CYS 88.A SG MET 103.A O no hydrogen 3.730 N/A GLY 90.A N ALA 84.A O no hydrogen 3.032 N/A HIS 91.A N CYS 88.A O no hydrogen 3.216 N/A HIS 91.A ND1 PHE 28.A O no hydrogen 2.979 N/A ARG 93.A N GLU 101.A O no hydrogen 2.974 N/A ARG 93.A NH1 GLU 101.A OE1 no hydrogen 2.810 N/A THR 95.A N ASN 99.A O no hydrogen 2.928 N/A ARG 97.A N THR 95.A OG1 no hydrogen 2.943 N/A ARG 97.A NH1 ASN 140.A O no hydrogen 2.670 N/A ARG 97.A NH1 ILE 183.A O no hydrogen 3.210 N/A ASN 98.A N THR 95.A O no hydrogen 3.005 N/A ASN 99.A N THR 95.A OG1 no hydrogen 3.013 N/A ASN 99.A ND2 THR 139.A OG1 no hydrogen 2.964 N/A ILE 100.A N CYS 66.A O no hydrogen 2.895 N/A GLU 101.A N ARG 93.A O no hydrogen 2.916 N/A PHE 102.A N VAL 64.A O no hydrogen 3.042 N/A VAL 104.A N TYR 62.A O no hydrogen 2.903 N/A THR 106.A OG1 GLU 109.A OE1 no hydrogen 2.906 N/A GLU 109.A N THR 106.A OG1 no hydrogen 3.381 N/A ALA 110.A N THR 106.A O no hydrogen 3.031 N/A LYS 111.A N LEU 107.A O no hydrogen 2.738 N/A LYS 112.A N ASP 108.A O no hydrogen 2.959 N/A LYS 112.A NZ ASP 108.A OD2 no hydrogen 2.700 N/A LEU 113.A N GLU 109.A O no hydrogen 2.878 N/A LYS 114.A N ALA 110.A O no hydrogen 2.884 N/A LYS 114.A NZ GLU 47.A OE2 no hydrogen 2.683 N/A LYS 114.A NZ PRO 48.A O no hydrogen 3.095 N/A GLU 115.A N LYS 111.A O no hydrogen 3.122 N/A TYR 116.A N LYS 112.A O no hydrogen 3.057 N/A LEU 117.A N LEU 113.A O no hydrogen 2.791 N/A ASN 118.A N LYS 114.A O no hydrogen 2.899 N/A ALA 119.A N TYR 116.A O no hydrogen 3.031 N/A GLN 120.A N LEU 117.A O no hydrogen 3.181 N/A PHE 122.A N SER 126.A O no hydrogen 2.774 N/A GLY 125.A N PHE 122.A O no hydrogen 2.942 N/A LYS 128.A N GLN 120.A O no hydrogen 2.856 N/A GLY 132.A N ARG 65.A O no hydrogen 3.046 N/A GLY 133.A N PHE 172.A O no hydrogen 2.890 N/A GLY 137.A N GLY 135.A O no hydrogen 3.059 N/A ILE 138.A N GLU 171.A O no hydrogen 3.237 N/A ASN 140.A N THR 139.A OG1 no hydrogen 2.572 N/A ASN 140.A ND2 GLY 68.A O no hydrogen 2.857 N/A ASN 140.A ND2 ASN 99.A OD1 no hydrogen 2.991 N/A ILE 141.A N ASN 140.A OD1 no hydrogen 2.694 N/A HIS 143.A ND1 ILE 141.A O no hydrogen 2.682 N/A TRP 147.A N ASP 156.A OD1 no hydrogen 2.802 N/A VAL 148.A N GLN 145.A O no hydrogen 3.145 N/A CYS 150.A N GLY 146.A O no hydrogen 3.315 N/A CYS 150.A SG THR 152.A OG1 no hydrogen 3.650 N/A HIS 151.A N HIS 151.A ND1 no hydrogen 2.863 N/A ALA 154.A N CYS 187.A O no hydrogen 2.683 N/A THR 155.A OG1 ASN 312.A OD1 no hydrogen 2.683 N/A ASP 156.A N THR 155.A OG1 no hydrogen 2.820 N/A GLY 159.A N ASP 156.A OD2 no hydrogen 2.949 N/A THR 160.A N ASP 156.A O no hydrogen 3.258 N/A THR 160.A OG1 ASP 156.A O no hydrogen 2.727 N/A THR 160.A OG1 ALA 157.A O no hydrogen 3.180 N/A VAL 161.A N ALA 157.A O no hydrogen 2.912 N/A LYS 162.A N SER 158.A O no hydrogen 3.110 N/A LYS 162.A NZ ASP 166.A OD1 no hydrogen 2.769 N/A LYS 162.A NZ ASP 166.A OD2 no hydrogen 3.175 N/A VAL 163.A N GLY 159.A O no hydrogen 2.937 N/A VAL 164.A N THR 160.A O no hydrogen 3.027 N/A LEU 165.A N VAL 161.A O no hydrogen 2.840 N/A ASP 166.A N LYS 162.A O no hydrogen 2.908 N/A GLU 167.A N VAL 163.A O no hydrogen 3.075 N/A LEU 168.A N VAL 164.A O no hydrogen 2.948 N/A PHE 169.A N ASP 166.A O no hydrogen 3.413 N/A GLU 171.A N LEU 168.A O no hydrogen 2.758 N/A PHE 172.A N PHE 169.A O no hydrogen 3.062 N/A GLN 174.A NE2 GLU 170.A O no hydrogen 2.708 N/A ARG 176.A NE GLU 171.A OE1 no hydrogen 3.118 N/A ARG 176.A NH2 GLU 171.A OE2 no hydrogen 2.682 N/A MET 177.A N ALA 136.A O no hydrogen 2.740 N/A GLN 180.A NE2 GLY 133.A O no hydrogen 3.067 N/A VAL 181.A N GLY 137.A O no hydrogen 2.875 N/A ARG 182.A N ASP 199.A OD2 no hydrogen 2.612 N/A ARG 182.A NH1 GLN 180.A O no hydrogen 2.864 N/A SER 184.A N ILE 200.A O no hydrogen 3.152 N/A SER 184.A OG SER 198.A OG no hydrogen 2.648 N/A MET 185.A N VAL 142.A O no hydrogen 2.828 N/A ALA 186.A N ILE 202.A O no hydrogen 2.876 N/A CYS 187.A N THR 144.A OG1 no hydrogen 3.222 N/A CYS 187.A SG THR 144.A OG1 no hydrogen 2.829 N/A CYS 188.A SG THR 152.A OG1 no hydrogen 3.716 N/A MET 191.A N CYS 188.A O no hydrogen 3.254 N/A GLY 193.A N MET 191.A O no hydrogen 2.708 N/A HIS 196.A N HIS 196.A ND1 no hydrogen 2.900 N/A CYS 197.A N ALA 194.A O no hydrogen 3.091 N/A CYS 197.A SG ALA 194.A O no hydrogen 3.426 N/A SER 198.A OG SER 184.A OG no hydrogen 2.648 N/A SER 198.A OG ALA 194.A O no hydrogen 2.596 N/A ILE 200.A N ARG 182.A O no hydrogen 3.332 N/A ALA 201.A N MET 288.A O no hydrogen 2.765 N/A ILE 202.A N SER 184.A O no hydrogen 2.894 N/A LEU 203.A N VAL 286.A O no hydrogen 2.968 N/A GLY 204.A N ALA 186.A O no hydrogen 2.856 N/A TYR 205.A N GLY 284.A O no hydrogen 2.690 N/A HIS 206.A ND1 ASP 283.A OD1 no hydrogen 2.641 N/A ARG 207.A NE GLY 282.A O no hydrogen 2.869 N/A ARG 207.A NH2 THR 281.A O no hydrogen 3.002 N/A LYS 208.A NZ ASP 279.A OD2 no hydrogen 2.630 N/A VAL 211.A N PRO 276.A O no hydrogen 2.950 N/A ASP 213.A N SER 274.A O no hydrogen 2.915 N/A HIS 214.A ND1 THR 254.A OG1 no hydrogen 2.830 N/A TRP 216.A N ASP 213.A O no hydrogen 3.009 N/A LEU 220.A N TRP 216.A O no hydrogen 2.916 N/A LEU 220.A N LEU 217.A O no hydrogen 3.234 N/A CYS 221.A N LEU 217.A O no hydrogen 2.791 N/A LEU 225.A N GLU 222.A O no hydrogen 2.868 N/A ALA 226.A N GLU 222.A O no hydrogen 3.310 N/A VAL 227.A N ILE 223.A O no hydrogen 2.922 N/A ALA 228.A N PRO 224.A O no hydrogen 2.918 N/A ALA 229.A N ALA 226.A O no hydrogen 3.180 N/A GLY 233.A N CYS 230.A O no hydrogen 3.496 N/A ARG 236.A N ALA 256.A O no hydrogen 3.240 N/A THR 238.A N THR 254.A O no hydrogen 2.928 N/A THR 238.A OG1 LYS 239.A O no hydrogen 3.313 N/A LYS 240.A N VAL 252.A O no hydrogen 3.111 N/A ILE 242.A N LYS 250.A O no hydrogen 2.937 N/A THR 244.A N GLU 248.A O no hydrogen 2.921 N/A THR 244.A OG1 GLU 248.A O no hydrogen 3.407 N/A GLU 245.A N GLU 215.A OE1 no hydrogen 3.017 N/A LYS 246.A N THR 244.A OG1 no hydrogen 3.284 N/A GLY 247.A N THR 244.A O no hydrogen 2.986 N/A GLU 248.A N THR 244.A OG1 no hydrogen 3.217 N/A LYS 250.A N ILE 242.A O no hydrogen 3.093 N/A VAL 252.A N LYS 240.A O no hydrogen 3.007 N/A THR 254.A N THR 238.A O no hydrogen 2.836 N/A THR 254.A OG1 HIS 214.A ND1 no hydrogen 2.830 N/A VAL 255.A N THR 254.A OG1 no hydrogen 2.778 N/A ALA 256.A N ARG 236.A O no hydrogen 2.997 N/A LYS 258.A N ALA 234.A O no hydrogen 3.166 N/A ARG 261.A N LYS 258.A O no hydrogen 2.810 N/A CYS 262.A N ASN 259.A O no hydrogen 3.188 N/A ASN 267.A ND2 ALA 229.A O no hydrogen 2.689 N/A TYR 269.A N GLY 266.A O no hydrogen 3.086 N/A THR 270.A N GLY 266.A O no hydrogen 3.187 N/A MET 271.A N ASN 267.A O no hydrogen 3.198 N/A CYS 272.A N TYR 269.A O no hydrogen 3.016 N/A LEU 275.A N CYS 272.A O no hydrogen 2.924 N/A ASP 279.A N ASP 283.A OD2 no hydrogen 3.022 N/A THR 281.A N ASP 279.A OD2 no hydrogen 3.267 N/A THR 281.A OG1 ASP 279.A OD2 no hydrogen 3.355 N/A GLY 282.A N ASP 279.A OD2 no hydrogen 2.877 N/A ASP 283.A N ASP 279.A O no hydrogen 3.021 N/A GLY 284.A N TYR 205.A O no hydrogen 2.889 N/A LEU 285.A N ILE 310.A O no hydrogen 2.664 N/A VAL 286.A N LEU 203.A O no hydrogen 2.723 N/A ILE 287.A N VAL 307.A O no hydrogen 3.130 N/A MET 288.A N ALA 201.A O no hydrogen 2.844 N/A ALA 289.A N LYS 304.A O no hydrogen 2.911 N/A GLY 290.A N ASP 199.A O no hydrogen 2.794 N/A GLY 291.A N SER 198.A O no hydrogen 2.947 N/A LYS 292.A N LYS 301.A O no hydrogen 3.029 N/A LYS 292.A NZ SER 294.A O no hydrogen 3.338 N/A LYS 292.A NZ SER 294.A OG no hydrogen 3.007 N/A LYS 292.A NZ ARG 296.A O no hydrogen 2.787 N/A LYS 292.A NZ SER 298.A O no hydrogen 2.784 N/A LYS 292.A NZ SER 298.A OG no hydrogen 3.123 N/A ARG 296.A N SER 294.A OG no hydrogen 3.256 N/A SER 298.A N ARG 296.A O no hydrogen 2.599 N/A SER 298.A OG ARG 296.A O no hydrogen 3.547 N/A SER 298.A OG ASP 343.A OD1 no hydrogen 2.633 N/A LYS 301.A N LYS 292.A O no hydrogen 3.043 N/A LYS 301.A NZ GLU 346.A OE1 no hydrogen 2.878 N/A LYS 301.A NZ GLU 346.A OE2 no hydrogen 3.274 N/A SER 303.A N HIS 196.A O no hydrogen 2.907 N/A SER 303.A OG VAL 195.A O no hydrogen 2.620 N/A LYS 304.A N ALA 289.A O no hydrogen 2.698 N/A LYS 304.A NZ PHE 302.A O no hydrogen 2.873 N/A VAL 306.A N ILE 287.A O no hydrogen 2.827 N/A VAL 307.A N ILE 287.A O no hydrogen 3.100 N/A ILE 310.A N LEU 285.A O no hydrogen 2.791 N/A ASN 312.A ND2 ALA 154.A O no hydrogen 2.785 N/A ARG 316.A NH1 ASP 166.A OD2 no hydrogen 2.726 N/A ARG 316.A NH2 ASP 166.A OD2 no hydrogen 2.964 N/A TRP 317.A N GLU 313.A O no hydrogen 2.698 N/A TRP 317.A NE1 ASN 312.A OD1 no hydrogen 3.026 N/A ARG 319.A N GLU 313.A OE1 no hydrogen 2.990 N/A ALA 321.A N TRP 317.A O no hydrogen 3.135 N/A SER 322.A N PRO 318.A O no hydrogen 2.903 N/A VAL 323.A N ARG 319.A O no hydrogen 2.976 N/A ILE 324.A N LEU 320.A O no hydrogen 3.050 N/A ARG 325.A N ALA 321.A O no hydrogen 3.277 N/A ARG 325.A NE GLU 329.A OE2 no hydrogen 2.626 N/A ARG 325.A NH1 GLU 167.A OE2 no hydrogen 3.449 N/A ARG 325.A NH2 GLU 170.A OE2 no hydrogen 2.959 N/A ARG 325.A NH2 GLU 329.A OE2 no hydrogen 3.416 N/A GLN 326.A N SER 322.A O no hydrogen 3.132 N/A GLN 326.A NE2 CYS 357.A O no hydrogen 2.470 N/A GLN 326.A NE2 GLU 358.A O no hydrogen 3.315 N/A ILE 327.A N VAL 323.A O no hydrogen 2.956 N/A VAL 328.A N ILE 324.A O no hydrogen 2.761 N/A GLU 329.A N ARG 325.A O no hydrogen 2.706 N/A ALA 330.A N GLN 326.A O no hydrogen 3.176 N/A TYR 331.A N ILE 327.A O no hydrogen 3.061 N/A TYR 331.A OH GLU 339.A O no hydrogen 2.488 N/A ALA 332.A N VAL 328.A O no hydrogen 2.812 N/A ALA 333.A N GLU 329.A O no hydrogen 3.074 N/A ASP 334.A N ALA 330.A O no hydrogen 3.067 N/A ASP 334.A N TYR 331.A O no hydrogen 3.255 N/A ALA 335.A N TYR 331.A O no hydrogen 2.974 N/A ARG 336.A N GLU 339.A OE1 no hydrogen 2.937 N/A TYR 338.A N PRO 178.A O no hydrogen 2.855 N/A GLU 339.A N ARG 336.A O no hydrogen 3.040 N/A ARG 340.A N ASP 343.A OD2 no hydrogen 2.856 N/A ARG 340.A NE ASP 199.A OD1 no hydrogen 2.913 N/A ARG 340.A NH2 ASP 199.A OD1 no hydrogen 3.300 N/A ARG 340.A NH2 ASP 199.A OD2 no hydrogen 2.908 N/A VAL 341.A N ASP 199.A OD1 no hydrogen 3.437 N/A TRP 344.A N ARG 340.A O no hydrogen 3.016 N/A TRP 344.A NE1 ASP 334.A OD2 no hydrogen 2.708 N/A ALA 345.A N VAL 341.A O no hydrogen 2.925 N/A GLU 346.A N GLY 342.A O no hydrogen 3.021 N/A ARG 347.A N ASP 343.A O no hydrogen 3.137 N/A ARG 347.A NE GLU 339.A OE2 no hydrogen 2.661 N/A ARG 347.A NH2 GLU 339.A OE1 no hydrogen 2.973 N/A ILE 348.A N TRP 344.A O no hydrogen 3.022 N/A GLU 351.A N GLU 351.A OE1 no hydrogen 2.938 N/A ARG 352.A N GLY 349.A O no hydrogen 2.895 N/A ARG 352.A NH1 PHE 385.A O no hydrogen 2.696 N/A ARG 352.A NH2 PHE 385.A O no hydrogen 2.991 N/A PHE 353.A N GLY 349.A O no hydrogen 2.986 N/A PHE 354.A N TRP 350.A O no hydrogen 3.014 N/A LYS 356.A N ARG 352.A O no hydrogen 2.830 N/A LYS 356.A NZ ASP 334.A OD1 no hydrogen 3.321 N/A LYS 356.A NZ ASP 334.A OD2 no hydrogen 3.474 N/A CYS 357.A N PHE 353.A O no hydrogen 2.806 N/A GLU 358.A N GLU 355.A O no hydrogen 2.997 N/A LEU 359.A N PHE 354.A O no hydrogen 2.949 N/A SER 362.A OG HIS 364.A ND1 no hydrogen 2.836 N/A HIS 364.A ND1 SER 362.A OG no hydrogen 2.836 N/A MET 365.A N SER 362.A O no hydrogen 3.055 N/A ILE 366.A N ILE 363.A O no hydrogen 3.037 N/A PHE 369.A N ASP 367.A OD1 no hydrogen 3.045 N/A ARG 370.A NH2 PRO 231.A O no hydrogen 2.830 N/A ALA 373.A N ARG 370.A O no hydrogen 3.164 N/A TYR 374.A N ASP 371.A O no hydrogen 3.305 N/A TYR 375.A N PRO 372.A O no hydrogen 3.104 N/A THR 376.A N ALA 373.A O no hydrogen 3.021 N/A THR 376.A OG1 ALA 373.A O no hydrogen 2.679 N/A TRP 377.A N TYR 374.A O no hydrogen 3.146 N/A TRP 377.A NE1 ASP 367.A O no hydrogen 3.316 N/A ARG 378.A NH1 ASN 382.A O no hydrogen 2.838 N/A ARG 378.A NH2 GLU 351.A OE1 no hydrogen 3.313 N/A GLN 379.A NE2 TYR 374.A O no hydrogen 2.862 N/A ASN 382.A N THR 380.A OG1 no hydrogen 2.828 N/A LYS 384.A N GLU 351.A OE2 no hydrogen 2.704 N/A LYS 384.A NZ ILE 348.A O no hydrogen 2.991 N/A