Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2e3j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N ALA 14.A O no hydrogen 2.750 N/A LEU 5.A N ILE 12.A O no hydrogen 2.824 N/A CYS 7.A N THR 10.A O no hydrogen 2.786 N/A CYS 7.A SG ASP 82.A O no hydrogen 3.713 N/A ARG 8.A NH1 CYS 7.A O no hydrogen 2.718 N/A ARG 8.A NH1 ASP 82.A OD1 no hydrogen 2.848 N/A ARG 8.A NH2 GLU 78.A O no hydrogen 3.091 N/A ARG 8.A NH2 ASP 82.A OD1 no hydrogen 3.385 N/A GLY 9.A N ASN 6.A OD1 no hydrogen 2.819 N/A THR 10.A N CYS 7.A O no hydrogen 3.013 N/A THR 10.A OG1 TYR 68.A OH no hydrogen 2.892 N/A ARG 11.A N SER 66.A OG no hydrogen 2.824 N/A ARG 11.A NE ARG 64.A O no hydrogen 2.887 N/A ARG 11.A NH2 ARG 64.A O no hydrogen 3.051 N/A ILE 12.A N LEU 5.A O no hydrogen 2.897 N/A HIS 13.A N SER 65.A OG no hydrogen 2.928 N/A HIS 13.A ND1 ASP 58.A OD2 no hydrogen 2.683 N/A ALA 14.A N ARG 3.A O no hydrogen 2.883 N/A VAL 15.A N ALA 56.A O no hydrogen 2.977 N/A ALA 16.A N VAL 1.A O no hydrogen 2.584 N/A ASP 17.A N VAL 54.A O no hydrogen 3.049 N/A SER 18.A OG PRO 19.A O no hydrogen 3.428 N/A GLN 22.A N PRO 19.A O no hydrogen 2.779 N/A GLN 23.A N ASP 21.A OD2 no hydrogen 2.652 N/A VAL 27.A N ARG 53.A O no hydrogen 2.745 N/A VAL 28.A N PHE 96.A O no hydrogen 2.875 N/A LEU 29.A N VAL 55.A O no hydrogen 2.704 N/A LEU 30.A N VAL 98.A O no hydrogen 2.765 N/A HIS 31.A ND1 GLY 32.A O no hydrogen 2.834 N/A PHE 33.A N ASP 101.A OD2 no hydrogen 2.876 N/A GLU 35.A N GLY 32.A O no hydrogen 2.873 N/A TYR 38.A N SER 36.A OG no hydrogen 3.031 N/A TYR 38.A OH ASP 242.A OD1 no hydrogen 2.559 N/A SER 39.A N SER 36.A O no hydrogen 3.034 N/A SER 39.A OG GLU 35.A OE1 no hydrogen 2.461 N/A SER 39.A OG SER 36.A O no hydrogen 3.520 N/A SER 39.A OG TYR 246.A OH no hydrogen 2.635 N/A TRP 40.A N TRP 37.A O no hydrogen 2.975 N/A ARG 41.A N TYR 38.A O no hydrogen 2.976 N/A ARG 41.A NH1 TYR 38.A O no hydrogen 2.961 N/A ARG 41.A NH1 GLN 327.A OE1 no hydrogen 2.689 N/A ARG 41.A NH2 GLN 327.A OE1 no hydrogen 2.715 N/A GLN 43.A N TRP 40.A O no hydrogen 2.873 N/A GLN 43.A NE2 GLN 326.A O no hydrogen 3.303 N/A GLN 43.A NE2 PRO 330.A O no hydrogen 3.417 N/A GLN 43.A NE2 ASN 334.A OD1 no hydrogen 2.937 N/A ILE 44.A N TRP 40.A O no hydrogen 3.093 N/A LEU 47.A N GLN 43.A O no hydrogen 2.771 N/A ALA 48.A N ILE 44.A O no hydrogen 2.933 N/A GLY 49.A N PRO 45.A O no hydrogen 2.939 N/A ALA 50.A N ALA 46.A O no hydrogen 2.998 N/A ALA 50.A N LEU 47.A O no hydrogen 3.258 N/A GLY 51.A N ALA 48.A O no hydrogen 3.296 N/A TYR 52.A N LEU 47.A O no hydrogen 3.103 N/A ARG 53.A N PRO 25.A O no hydrogen 2.820 N/A ARG 53.A NE GLY 24.A O no hydrogen 2.770 N/A ARG 53.A NH2 GLY 24.A O no hydrogen 3.344 N/A VAL 54.A N ASP 17.A O no hydrogen 2.846 N/A VAL 55.A N VAL 27.A O no hydrogen 2.819 N/A ALA 56.A N VAL 15.A O no hydrogen 3.053 N/A ILE 57.A N LEU 29.A O no hydrogen 3.390 N/A ASP 58.A N HIS 13.A O no hydrogen 3.014 N/A GLN 59.A N HIS 31.A NE2 no hydrogen 3.128 N/A GLN 59.A NE2 HIS 31.A O no hydrogen 2.826 N/A ARG 60.A NE ASP 82.A OD2 no hydrogen 2.623 N/A ARG 60.A NH1 ALA 73.A O no hydrogen 2.589 N/A ARG 60.A NH2 ASP 82.A OD1 no hydrogen 3.036 N/A GLY 61.A N SER 66.A O no hydrogen 2.724 N/A TYR 62.A N GLN 59.A O no hydrogen 2.874 N/A ARG 64.A N ASP 58.A OD2 no hydrogen 3.189 N/A SER 65.A N TYR 62.A O no hydrogen 2.873 N/A SER 65.A OG ASP 58.A O no hydrogen 2.634 N/A SER 66.A N ARG 11.A O no hydrogen 2.859 N/A SER 66.A OG ARG 11.A O no hydrogen 3.417 N/A LYS 67.A NZ GLY 63.A O no hydrogen 2.816 N/A LYS 67.A NZ SER 65.A O no hydrogen 2.879 N/A TYR 68.A N TYR 74.A OH no hydrogen 2.743 N/A TYR 68.A OH THR 10.A OG1 no hydrogen 2.892 N/A GLN 71.A NE2 GLN 168.A OE1 no hydrogen 2.788 N/A ALA 73.A N VAL 70.A O no hydrogen 3.423 N/A TYR 74.A N GLN 71.A O no hydrogen 2.938 N/A TYR 74.A OH TYR 68.A O no hydrogen 2.757 N/A ARG 75.A NH1 ASN 267.A O no hydrogen 3.283 N/A ILE 76.A N ASP 268.A OD1 no hydrogen 3.051 N/A LYS 77.A NZ ASP 271.A O no hydrogen 3.257 N/A GLU 78.A N ARG 75.A O no hydrogen 2.790 N/A LEU 79.A N ARG 75.A O no hydrogen 3.293 N/A VAL 80.A N ILE 76.A O no hydrogen 2.851 N/A GLY 81.A N LYS 77.A O no hydrogen 2.937 N/A ASP 82.A N GLU 78.A O no hydrogen 3.064 N/A ASP 82.A N LEU 79.A O no hydrogen 3.015 N/A VAL 83.A N LEU 79.A O no hydrogen 3.331 N/A VAL 84.A N VAL 80.A O no hydrogen 3.105 N/A GLY 85.A N GLY 81.A O no hydrogen 3.040 N/A VAL 86.A N ASP 82.A O no hydrogen 2.940 N/A LEU 87.A N VAL 83.A O no hydrogen 3.117 N/A ASP 88.A N VAL 84.A O no hydrogen 2.996 N/A SER 89.A N GLY 85.A O no hydrogen 2.881 N/A SER 89.A OG GLY 85.A O no hydrogen 3.237 N/A TYR 90.A N VAL 86.A O no hydrogen 3.173 N/A GLY 91.A N ASP 88.A O no hydrogen 3.112 N/A ALA 92.A N LEU 87.A O no hydrogen 2.939 N/A ALA 95.A N ARG 117.A O no hydrogen 3.080 N/A PHE 96.A N LEU 26.A O no hydrogen 2.999 N/A VAL 97.A N GLY 120.A O no hydrogen 3.022 N/A VAL 98.A N VAL 28.A O no hydrogen 2.947 N/A GLY 99.A N VAL 122.A O no hydrogen 2.987 N/A HIS 100.A N LEU 30.A O no hydrogen 2.979 N/A HIS 100.A NE2 HIS 323.A O no hydrogen 2.855 N/A ASP 101.A N ILE 124.A O no hydrogen 3.205 N/A GLY 103.A N HIS 100.A O no hydrogen 2.611 N/A ALA 104.A N ASP 101.A O no hydrogen 2.801 N/A ALA 107.A N GLY 103.A O no hydrogen 2.967 N/A TRP 108.A N ALA 104.A O no hydrogen 2.619 N/A TRP 108.A NE1 VAL 126.A O no hydrogen 2.783 N/A THR 109.A N PRO 105.A O no hydrogen 2.809 N/A THR 109.A OG1 PRO 105.A O no hydrogen 2.532 N/A PHE 110.A N VAL 106.A O no hydrogen 2.870 N/A ALA 111.A N ALA 107.A O no hydrogen 3.051 N/A TRP 112.A N TRP 108.A O no hydrogen 2.890 N/A TRP 112.A NE1 LYS 278.A O no hydrogen 2.961 N/A LEU 113.A N THR 109.A O no hydrogen 2.911 N/A HIS 114.A N PHE 110.A O no hydrogen 2.867 N/A ARG 117.A N HIS 114.A O no hydrogen 2.806 N/A ARG 117.A NE GLU 93.A O no hydrogen 2.631 N/A ARG 117.A NH1 ASP 88.A OD1 no hydrogen 3.402 N/A ARG 117.A NH2 ASP 88.A OD1 no hydrogen 3.055 N/A ARG 117.A NH2 ALA 92.A O no hydrogen 2.824 N/A CYS 118.A N PRO 115.A O no hydrogen 3.279 N/A CYS 118.A SG GLY 120.A O no hydrogen 3.220 N/A ALA 119.A N ALA 95.A O no hydrogen 3.046 N/A VAL 121.A N PRO 283.A O no hydrogen 2.896 N/A VAL 122.A N VAL 97.A O no hydrogen 2.992 N/A GLY 123.A N LEU 285.A O no hydrogen 2.964 N/A ILE 124.A N GLY 99.A O no hydrogen 2.774 N/A SER 125.A N ILE 287.A O no hydrogen 2.873 N/A SER 125.A OG ASP 292.A OD1 no hydrogen 3.157 N/A SER 125.A OG ASP 292.A OD2 no hydrogen 2.890 N/A SER 125.A OG HIS 323.A ND1 no hydrogen 3.118 N/A ARG 131.A NE TRP 269.A O no hydrogen 3.005 N/A ARG 131.A NH1 GLN 276.A OE1 no hydrogen 3.208 N/A ARG 131.A NH2 TRP 269.A O no hydrogen 2.950 N/A GLY 132.A N ALA 129.A O no hydrogen 2.820 N/A VAL 133.A N GLY 130.A O no hydrogen 3.038 N/A ILE 134.A N GLY 132.A O no hydrogen 2.588 N/A LEU 136.A N SER 139.A O no hydrogen 2.941 N/A SER 139.A OG GLU 143.A OE2 no hydrogen 2.562 N/A PHE 141.A N GLU 143.A OE1 no hydrogen 3.176 N/A PHE 141.A N GLU 143.A OE2 no hydrogen 3.281 N/A GLU 143.A N SER 139.A OG no hydrogen 2.727 N/A GLU 143.A N GLU 143.A OE2 no hydrogen 2.716 N/A SER 147.A N ASP 266.A OD1 no hydrogen 2.449 N/A SER 147.A OG ASP 266.A OD1 no hydrogen 3.089 N/A SER 147.A OG ASP 266.A OD2 no hydrogen 2.620 N/A TYR 149.A N ARG 145.A O no hydrogen 3.124 N/A TYR 149.A N ASP 148.A OD2 no hydrogen 2.623 N/A HIS 150.A N PRO 146.A O no hydrogen 3.001 N/A HIS 150.A N SER 147.A O no hydrogen 2.754 N/A LEU 151.A N SER 147.A O no hydrogen 3.144 N/A GLU 152.A N ASP 148.A O no hydrogen 3.343 N/A VAL 159.A N MET 218.A O no hydrogen 2.416 N/A TRP 160.A NE1 GLN 162.A OE1 no hydrogen 2.572 N/A TYR 161.A N LEU 216.A O no hydrogen 3.143 N/A ASP 163.A N TRP 160.A O no hydrogen 2.986 N/A TYR 164.A N TRP 160.A O no hydrogen 3.201 N/A TYR 164.A OH GLU 174.A OE1 no hydrogen 2.339 N/A PHE 165.A N TYR 161.A O no hydrogen 2.719 N/A ALA 166.A N GLN 162.A O no hydrogen 2.978 N/A VAL 167.A N TYR 164.A O no hydrogen 2.914 N/A GLN 168.A N PHE 165.A O no hydrogen 2.967 N/A GLN 168.A NE2 GLY 256.A O no hydrogen 2.949 N/A GLN 168.A NE2 SER 260.A OG no hydrogen 2.865 N/A THR 173.A N ASP 169.A O no hydrogen 3.126 N/A THR 173.A OG1 ASP 169.A O no hydrogen 2.877 N/A GLU 174.A N GLY 170.A O no hydrogen 2.921 N/A ILE 175.A N ILE 171.A O no hydrogen 3.132 N/A GLU 176.A N ILE 172.A O no hydrogen 2.919 N/A ASP 178.A N ILE 175.A O no hydrogen 3.035 N/A ARG 180.A NE ASP 244.A OD1 no hydrogen 2.948 N/A ARG 180.A NH2 GLU 240.A OE1 no hydrogen 2.858 N/A ARG 180.A NH2 GLU 240.A OE2 no hydrogen 2.679 N/A ARG 180.A NH2 ASP 244.A OD1 no hydrogen 2.700 N/A GLY 181.A N ASP 178.A OD1 no hydrogen 3.301 N/A TRP 182.A N ASP 178.A O no hydrogen 3.049 N/A TRP 182.A NE1 GLU 174.A OE2 no hydrogen 3.220 N/A LEU 183.A N LEU 179.A O no hydrogen 3.013 N/A LEU 184.A N ARG 180.A O no hydrogen 3.199 N/A GLY 185.A N GLY 181.A O no hydrogen 2.909 N/A LEU 186.A N TRP 182.A O no hydrogen 2.908 N/A THR 187.A N LEU 183.A O no hydrogen 2.964 N/A THR 187.A OG1 LEU 183.A O no hydrogen 2.670 N/A TYR 188.A N LEU 184.A O no hydrogen 2.947 N/A THR 189.A N GLY 185.A O no hydrogen 2.986 N/A THR 189.A OG1 GLY 185.A O no hydrogen 2.886 N/A THR 189.A OG1 VAL 229.A O no hydrogen 3.458 N/A SER 191.A N TYR 188.A O no hydrogen 3.191 N/A SER 191.A OG TYR 188.A O no hydrogen 2.467 N/A GLY 192.A N GLU 328.A OE1 no hydrogen 2.951 N/A GLY 194.A N SER 191.A OG no hydrogen 3.188 N/A MET 195.A N SER 191.A O no hydrogen 3.009 N/A MET 196.A N GLY 192.A O no hydrogen 2.781 N/A ALA 197.A N GLU 193.A O no hydrogen 2.988 N/A ALA 198.A N GLY 194.A O no hydrogen 3.141 N/A THR 199.A N MET 195.A O no hydrogen 2.834 N/A THR 199.A OG1 MET 195.A O no hydrogen 3.050 N/A LYS 200.A N MET 196.A O no hydrogen 2.665 N/A LYS 200.A NZ ALA 197.A O no hydrogen 3.430 N/A ALA 201.A N ALA 197.A O no hydrogen 3.150 N/A ASP 209.A N ASP 206.A O no hydrogen 3.174 N/A ASP 209.A N ASP 206.A OD1 no hydrogen 2.899 N/A VAL 210.A N PRO 207.A O no hydrogen 2.817 N/A CYS 217.A N GLY 214.A O no hydrogen 3.089 N/A CYS 217.A SG ALA 154.A O no hydrogen 2.864 N/A MET 218.A N VAL 159.A O no hydrogen 3.195 N/A GLU 220.A N GLY 157.A O no hydrogen 3.073 N/A ALA 222.A N ALA 219.A O no hydrogen 2.857 N/A ARG 223.A N ASP 226.A OD1 no hydrogen 3.361 N/A ARG 223.A NH1 ASP 226.A OD2 no hydrogen 3.352 N/A ARG 223.A NH2 GLU 177.A OE1 no hydrogen 2.964 N/A LYS 225.A N GLU 174.A OE2 no hydrogen 2.692 N/A ASP 226.A N ARG 223.A O no hydrogen 2.697 N/A ALA 227.A N LEU 224.A O no hydrogen 3.289 N/A PHE 228.A N LYS 225.A O no hydrogen 3.259 N/A VAL 229.A N THR 189.A OG1 no hydrogen 2.852 N/A PHE 238.A N PRO 235.A O no hydrogen 3.216 N/A THR 239.A N ASP 242.A OD2 no hydrogen 3.076 N/A THR 239.A OG1 ASP 242.A OD2 no hydrogen 3.009 N/A LEU 243.A N THR 239.A O no hydrogen 3.082 N/A ASP 244.A N GLU 240.A O no hydrogen 2.824 N/A PHE 245.A N ALA 241.A O no hydrogen 3.158 N/A PHE 245.A N ASP 242.A O no hydrogen 3.097 N/A TYR 246.A N ASP 242.A O no hydrogen 3.120 N/A TYR 246.A OH SER 39.A OG no hydrogen 2.635 N/A TYR 246.A OH GLN 327.A OE1 no hydrogen 3.139 N/A THR 247.A N LEU 243.A O no hydrogen 2.866 N/A THR 247.A OG1 LEU 243.A O no hydrogen 2.674 N/A GLY 248.A N ASP 244.A O no hydrogen 3.060 N/A GLU 249.A N PHE 245.A O no hydrogen 3.015 N/A PHE 250.A N TYR 246.A O no hydrogen 3.086 N/A GLU 251.A N THR 247.A O no hydrogen 2.931 N/A ARG 252.A N GLU 249.A O no hydrogen 3.291 N/A SER 253.A N GLU 249.A O no hydrogen 2.900 N/A SER 253.A OG GLU 249.A O no hydrogen 3.228 N/A SER 253.A OG GLY 254.A O no hydrogen 3.048 N/A GLY 254.A N PHE 250.A O no hydrogen 2.743 N/A LEU 259.A N PHE 255.A O no hydrogen 2.830 N/A SER 260.A N GLY 256.A O no hydrogen 3.156 N/A SER 260.A N GLY 257.A O no hydrogen 3.095 N/A SER 260.A OG GLN 71.A OE1 no hydrogen 2.753 N/A SER 260.A OG GLY 256.A O no hydrogen 3.362 N/A PHE 261.A N PRO 258.A O no hydrogen 3.097 N/A HIS 263.A N LEU 259.A O no hydrogen 3.206 N/A ASN 264.A N SER 260.A O no hydrogen 3.141 N/A ASN 264.A N PHE 261.A O no hydrogen 3.097 N/A ASN 264.A ND2 GLN 71.A O no hydrogen 2.930 N/A ASN 264.A ND2 SER 260.A O no hydrogen 2.696 N/A ILE 265.A N TYR 262.A O no hydrogen 3.247 N/A ASP 268.A N ASN 264.A O no hydrogen 2.646 N/A TRP 269.A N ILE 265.A O no hydrogen 2.779 N/A TRP 269.A NE1 GLY 142.A O no hydrogen 2.771 N/A HIS 270.A N ASP 266.A O no hydrogen 3.099 N/A ASP 271.A N ASN 267.A O no hydrogen 2.944 N/A LEU 272.A N ASP 268.A O no hydrogen 2.870 N/A ALA 273.A N HIS 270.A O no hydrogen 3.207 N/A GLN 275.A N LEU 272.A O no hydrogen 3.314 N/A GLN 275.A NE2 ASP 274.A O no hydrogen 3.574 N/A GLN 276.A N ALA 273.A O no hydrogen 2.978 N/A LEU 280.A N VAL 308.A O no hydrogen 3.022 N/A ALA 284.A N ASN 311.A O no hydrogen 3.300 N/A LEU 285.A N VAL 121.A O no hydrogen 2.955 N/A PHE 286.A N GLY 314.A O no hydrogen 3.272 N/A ILE 287.A N GLY 123.A O no hydrogen 3.052 N/A GLY 288.A N HIS 316.A O no hydrogen 2.777 N/A GLY 289.A N THR 295.A OG1 no hydrogen 2.633 N/A GLN 290.A N ILE 318.A O no hydrogen 2.890 N/A TYR 291.A N VAL 321.A O no hydrogen 3.127 N/A ASP 292.A N GLY 289.A O no hydrogen 3.036 N/A GLY 294.A N ASP 292.A OD1 no hydrogen 2.732 N/A THR 295.A N ASP 292.A OD2 no hydrogen 2.661 N/A THR 295.A OG1 SER 125.A O no hydrogen 3.507 N/A THR 295.A OG1 ASP 292.A OD2 no hydrogen 2.634 N/A ILE 296.A N ASP 292.A O no hydrogen 3.079 N/A TRP 297.A N VAL 293.A O no hydrogen 2.860 N/A GLY 298.A N GLY 294.A O no hydrogen 3.127 N/A ALA 299.A N ILE 296.A O no hydrogen 3.214 N/A ILE 302.A N GLY 298.A O no hydrogen 2.942 N/A GLU 303.A N ALA 299.A O no hydrogen 3.259 N/A ALA 305.A N ILE 302.A O no hydrogen 3.188 N/A GLU 307.A N ARG 304.A O no hydrogen 3.119 N/A VAL 308.A N ALA 305.A O no hydrogen 2.952 N/A MET 309.A N ALA 305.A O no hydrogen 2.808 N/A TYR 312.A N MET 309.A O no hydrogen 2.939 N/A TYR 312.A OH THR 315.A OG1 no hydrogen 2.432 N/A ARG 313.A N ALA 284.A O no hydrogen 2.753 N/A THR 315.A OG1 TYR 312.A OH no hydrogen 2.432 N/A HIS 316.A N PHE 286.A O no hydrogen 2.881 N/A ILE 318.A N GLY 288.A O no hydrogen 3.111 N/A ASP 320.A N GLN 290.A OE1 no hydrogen 3.019 N/A GLY 322.A N GLU 328.A OE1 no hydrogen 2.907 N/A HIS 323.A N VAL 190.A O no hydrogen 3.058 N/A HIS 323.A ND1 ASP 292.A OD1 no hydrogen 2.875 N/A TRP 324.A N GLU 328.A OE2 no hydrogen 3.068 N/A TRP 324.A NE1 THR 187.A O no hydrogen 2.989 N/A GLN 326.A N GLN 326.A OE1 no hydrogen 2.805 N/A GLN 327.A N TRP 324.A O no hydrogen 2.977 N/A GLU 328.A N TRP 324.A O no hydrogen 2.844 N/A ALA 329.A N ILE 325.A O no hydrogen 3.033 N/A THR 333.A N ALA 329.A O no hydrogen 2.994 N/A THR 333.A OG1 ALA 329.A O no hydrogen 2.952 N/A ASN 334.A N PRO 330.A O no hydrogen 3.072 N/A ASN 334.A ND2 HIS 42.A O no hydrogen 3.017 N/A ARG 335.A N GLU 331.A O no hydrogen 3.030 N/A LEU 336.A N GLU 332.A O no hydrogen 3.084 N/A LEU 337.A N THR 333.A O no hydrogen 3.002 N/A LEU 338.A N ASN 334.A O no hydrogen 2.813 N/A ASP 339.A N ARG 335.A O no hydrogen 2.919 N/A PHE 340.A N LEU 336.A O no hydrogen 2.977 N/A LEU 341.A N LEU 337.A O no hydrogen 2.849 N/A GLY 342.A N LEU 338.A O no hydrogen 2.809 N/A GLY 343.A N ASP 339.A O no hydrogen 3.039 N/A LEU 344.A N LEU 341.A O no hydrogen 3.091 N/A ARG 345.A NH2 GLY 342.A O no hydrogen 2.871 N/A