Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1e3j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N ASP 1.A OD1 no hydrogen 2.605 N/A ASP 1.A N GLN 17.A OE1 no hydrogen 3.083 N/A ASN 2.A N GLN 17.A OE1 no hydrogen 2.973 N/A ASN 2.A ND2 ARG 18.A O no hydrogen 3.100 N/A ASN 2.A ND2 PRO 19.A O no hydrogen 2.968 N/A SER 4.A N GLU 16.A O no hydrogen 2.748 N/A SER 4.A OG ASN 2.A O no hydrogen 2.923 N/A ALA 5.A N LEU 122.A O no hydrogen 2.940 N/A VAL 6.A N ARG 14.A O no hydrogen 2.798 N/A LEU 7.A N MET 59.A O no hydrogen 2.927 N/A TYR 8.A N ASP 12.A O no hydrogen 2.733 N/A TYR 8.A OH GLU 16.A OE2 no hydrogen 2.392 N/A LYS 9.A NZ ASP 12.A OD2 no hydrogen 3.051 N/A ASN 11.A N TYR 45.A O no hydrogen 2.554 N/A ASN 11.A ND2 TYR 45.A O no hydrogen 3.406 N/A ASP 12.A N LYS 9.A O no hydrogen 2.839 N/A ARG 14.A N VAL 6.A O no hydrogen 2.738 N/A ARG 14.A NE ASP 12.A OD1 no hydrogen 2.714 N/A ARG 14.A NE ASP 12.A OD2 no hydrogen 2.829 N/A ARG 14.A NH2 ASP 12.A OD2 no hydrogen 2.372 N/A GLU 16.A N SER 4.A O no hydrogen 2.923 N/A ARG 18.A N ASN 2.A O no hydrogen 3.163 N/A ARG 18.A NH1 ASP 119.A OD2 no hydrogen 3.280 N/A LYS 24.A N GLU 27.A OE1 no hydrogen 2.911 N/A GLU 27.A N LYS 24.A O no hydrogen 3.031 N/A VAL 28.A N HIS 128.A O no hydrogen 3.021 N/A LEU 29.A N LYS 71.A O no hydrogen 2.644 N/A LEU 30.A N TYR 126.A O no hydrogen 2.589 N/A GLN 31.A N THR 68.A O no hydrogen 2.898 N/A MET 32.A N ARG 124.A O no hydrogen 2.818 N/A ALA 33.A N SER 66.A O no hydrogen 2.961 N/A VAL 35.A N ILE 344.A O no hydrogen 2.883 N/A GLY 36.A N GLU 64.A O no hydrogen 2.720 N/A ILE 37.A N VAL 342.A O no hydrogen 3.154 N/A CYS 38.A N ASP 41.A OD2 no hydrogen 3.229 N/A CYS 38.A SG HIS 63.A NE2 no hydrogen 3.749 N/A VAL 42.A N CYS 38.A O no hydrogen 3.102 N/A HIS 43.A N GLY 39.A O no hydrogen 2.690 N/A TYR 44.A N SER 40.A O no hydrogen 3.120 N/A TYR 45.A N ASP 41.A O no hydrogen 2.969 N/A GLU 46.A N VAL 42.A O no hydrogen 2.878 N/A HIS 47.A N HIS 43.A O no hydrogen 3.051 N/A ARG 49.A NE ALA 51.A O no hydrogen 3.195 N/A ARG 49.A NH2 ALA 51.A O no hydrogen 2.859 N/A ILE 50.A N PHE 53.A O no hydrogen 3.247 N/A VAL 55.A N GLY 48.A O no hydrogen 3.172 N/A MET 59.A N LEU 7.A O no hydrogen 2.899 N/A VAL 60.A N ASP 119.A OD1 no hydrogen 2.833 N/A ILE 61.A N ALA 5.A O no hydrogen 3.062 N/A SER 66.A N TYR 34.A O no hydrogen 3.158 N/A SER 66.A OG LEU 142.A O no hydrogen 2.680 N/A GLY 67.A N VAL 85.A O no hydrogen 2.901 N/A THR 68.A N GLN 31.A O no hydrogen 2.987 N/A VAL 69.A N ASP 83.A O no hydrogen 2.804 N/A VAL 70.A N LEU 29.A O no hydrogen 2.778 N/A GLY 73.A N GLU 27.A O no hydrogen 2.842 N/A ASN 75.A N GLU 25.A O no hydrogen 3.004 N/A VAL 76.A N GLY 73.A O no hydrogen 3.119 N/A HIS 78.A NE2 ALA 130.A O no hydrogen 3.044 N/A LYS 80.A N ASP 83.A OD2 no hydrogen 2.751 N/A GLY 82.A N VAL 69.A O no hydrogen 2.596 N/A ASP 83.A N LYS 80.A O no hydrogen 3.029 N/A ARG 84.A NH1 PRO 137.A O no hydrogen 3.058 N/A ARG 84.A NH1 VAL 140.A O no hydrogen 3.325 N/A ARG 84.A NH2 VAL 140.A O no hydrogen 2.592 N/A VAL 85.A N GLY 67.A O no hydrogen 2.868 N/A ALA 86.A N HIS 134.A O no hydrogen 3.096 N/A VAL 87.A N ALA 65.A O no hydrogen 2.858 N/A GLU 88.A N PHE 132.A O no hydrogen 2.916 N/A VAL 91.A N THR 111.A O no hydrogen 3.087 N/A ARG 94.A NH2 ASP 131.A OD2 no hydrogen 2.688 N/A ARG 95.A NH1 CYS 93.A O no hydrogen 3.438 N/A LYS 100.A N CYS 96.A O no hydrogen 2.988 N/A GLU 101.A N GLN 97.A O no hydrogen 2.950 N/A GLY 102.A N CYS 99.A O no hydrogen 3.192 N/A LYS 103.A N PHE 98.A O no hydrogen 2.684 N/A TYR 104.A OH GLU 88.A OE2 no hydrogen 2.631 N/A ASN 105.A ND2 PHE 292.A O no hydrogen 2.942 N/A LEU 106.A N LYS 103.A O no hydrogen 3.049 N/A CYS 107.A N TYR 104.A O no hydrogen 2.859 N/A LEU 110.A N CYS 107.A O no hydrogen 3.328 N/A THR 111.A N VAL 91.A O no hydrogen 2.966 N/A THR 111.A OG1 VAL 91.A O no hydrogen 3.271 N/A CYS 113.A N PRO 89.A O no hydrogen 3.280 N/A CYS 113.A SG PRO 89.A O no hydrogen 3.708 N/A CYS 113.A SG TYR 126.A OH no hydrogen 2.765 N/A ALA 114.A N ASP 118.A O no hydrogen 2.773 N/A THR 115.A N PHE 112.A O no hydrogen 3.041 N/A ASP 118.A N THR 115.A O no hydrogen 2.858 N/A GLY 120.A N VAL 60.A O no hydrogen 2.726 N/A ASN 121.A N GLY 62.A O no hydrogen 2.939 N/A LEU 122.A N ILE 61.A O no hydrogen 2.873 N/A ARG 124.A N LEU 3.A O no hydrogen 3.110 N/A ARG 124.A NH1 CYS 346.A O no hydrogen 2.880 N/A ARG 124.A NH2 GLU 323.A OE2 no hydrogen 2.790 N/A TYR 125.A N ASN 2.A OD1 no hydrogen 2.880 N/A TYR 126.A N LEU 30.A O no hydrogen 2.887 N/A TYR 126.A OH HIS 128.A ND1 no hydrogen 2.885 N/A HIS 128.A N VAL 28.A O no hydrogen 3.090 N/A HIS 128.A NE2 GLU 88.A O no hydrogen 2.620 N/A ALA 130.A N ASP 26.A O no hydrogen 2.946 N/A PHE 132.A N ALA 129.A O no hydrogen 3.030 N/A CYS 133.A N ALA 130.A O no hydrogen 3.238 N/A CYS 133.A SG ALA 129.A O no hydrogen 3.673 N/A HIS 134.A N ALA 86.A O no hydrogen 2.980 N/A HIS 134.A NE2 GLU 88.A OE1 no hydrogen 3.141 N/A LYS 135.A NZ ASP 83.A OD1 no hydrogen 2.776 N/A LEU 136.A N ARG 84.A O no hydrogen 2.630 N/A ASN 139.A ND2 ALA 306.A O no hydrogen 2.865 N/A VAL 140.A N PRO 137.A O no hydrogen 3.062 N/A SER 141.A N GLU 144.A OE1 no hydrogen 2.824 N/A SER 141.A OG GLU 144.A OE1 no hydrogen 3.166 N/A GLU 144.A N SER 141.A OG no hydrogen 3.114 N/A GLY 145.A N SER 141.A O no hydrogen 2.925 N/A ALA 146.A N LEU 142.A O no hydrogen 3.090 N/A LEU 147.A N GLU 143.A O no hydrogen 3.267 N/A LEU 147.A N GLU 144.A O no hydrogen 2.907 N/A LEU 148.A N GLY 145.A O no hydrogen 3.056 N/A LEU 151.A N LEU 147.A O no hydrogen 3.084 N/A SER 152.A N LEU 148.A O no hydrogen 2.886 N/A SER 152.A OG LEU 148.A O no hydrogen 2.764 N/A VAL 153.A N PRO 150.A O no hydrogen 3.150 N/A GLY 154.A N PRO 150.A O no hydrogen 3.347 N/A VAL 155.A N LEU 151.A O no hydrogen 2.857 N/A HIS 156.A N SER 152.A O no hydrogen 2.728 N/A ALA 157.A N VAL 153.A O no hydrogen 3.033 N/A CYS 158.A N GLY 154.A O no hydrogen 2.959 N/A CYS 158.A SG GLY 154.A O no hydrogen 3.443 N/A ARG 159.A N VAL 155.A O no hydrogen 2.824 N/A ARG 159.A NH1 ASN 296.A O no hydrogen 3.146 N/A ARG 159.A NH1 ASP 297.A OD1 no hydrogen 2.926 N/A ARG 160.A N HIS 156.A O no hydrogen 2.864 N/A ARG 160.A NH1 SER 290.A O no hydrogen 2.853 N/A ALA 161.A N ALA 157.A O no hydrogen 3.103 N/A GLY 162.A N ARG 159.A O no hydrogen 3.049 N/A VAL 163.A N CYS 158.A O no hydrogen 2.872 N/A GLN 164.A N THR 167.A OG1 no hydrogen 2.764 N/A GLN 164.A NE2 GLY 162.A O no hydrogen 3.222 N/A THR 167.A N GLN 164.A O no hydrogen 2.887 N/A THR 167.A OG1 GLN 164.A O no hydrogen 2.908 N/A THR 168.A N ASN 239.A OD1 no hydrogen 2.836 N/A VAL 169.A N PHE 191.A O no hydrogen 2.751 N/A LEU 170.A N VAL 240.A O no hydrogen 2.882 N/A VAL 171.A N VAL 193.A O no hydrogen 2.790 N/A ILE 172.A N ILE 242.A O no hydrogen 2.997 N/A GLY 173.A N THR 195.A O no hydrogen 2.599 N/A LEU 179.A N GLY 175.A O no hydrogen 2.932 N/A VAL 180.A N PRO 176.A O no hydrogen 2.947 N/A SER 181.A N ILE 177.A O no hydrogen 3.038 N/A SER 181.A OG ILE 177.A O no hydrogen 3.068 N/A VAL 182.A N GLY 178.A O no hydrogen 2.998 N/A LEU 183.A N LEU 179.A O no hydrogen 3.028 N/A ALA 184.A N VAL 180.A O no hydrogen 2.739 N/A ALA 185.A N SER 181.A O no hydrogen 2.885 N/A LYS 186.A N VAL 182.A O no hydrogen 2.847 N/A LYS 186.A NZ ALA 190.A O no hydrogen 2.931 N/A LYS 186.A NZ ASP 211.A OD1 no hydrogen 3.523 N/A LYS 186.A NZ ASP 211.A OD2 no hydrogen 3.024 N/A ALA 187.A N LEU 183.A O no hydrogen 2.802 N/A TYR 188.A N ALA 184.A O no hydrogen 2.843 N/A TYR 188.A N ALA 185.A O no hydrogen 3.114 N/A GLY 189.A N LYS 186.A O no hydrogen 2.893 N/A ALA 190.A N ALA 185.A O no hydrogen 2.948 N/A PHE 191.A N THR 167.A O no hydrogen 2.965 N/A VAL 192.A N ASP 211.A OD2 no hydrogen 2.852 N/A VAL 193.A N VAL 169.A O no hydrogen 2.796 N/A CYS 194.A N VAL 212.A O no hydrogen 2.885 N/A CYS 194.A SG VAL 171.A O no hydrogen 3.806 N/A CYS 194.A SG GLY 173.A O no hydrogen 3.679 N/A THR 195.A N VAL 171.A O no hydrogen 2.968 N/A ALA 196.A N LEU 214.A O no hydrogen 3.182 N/A ARG 201.A N SER 198.A OG no hydrogen 3.017 N/A LEU 202.A N SER 198.A O no hydrogen 3.239 N/A GLU 203.A N PRO 199.A O no hydrogen 3.313 N/A GLU 203.A N ARG 200.A O no hydrogen 3.020 N/A ALA 205.A N ARG 201.A O no hydrogen 2.810 N/A LYS 206.A N LEU 202.A O no hydrogen 2.905 N/A ASN 207.A N GLU 203.A O no hydrogen 3.071 N/A ASN 207.A ND2 GLN 314.A OE1 no hydrogen 2.615 N/A CYS 208.A N VAL 204.A O no hydrogen 2.674 N/A CYS 208.A SG VAL 204.A O no hydrogen 3.419 N/A GLY 209.A N LYS 206.A O no hydrogen 2.805 N/A ALA 210.A N ALA 205.A O no hydrogen 2.985 N/A ASP 211.A N VAL 192.A O no hydrogen 2.822 N/A VAL 212.A N VAL 192.A O no hydrogen 3.238 N/A LEU 214.A N CYS 194.A O no hydrogen 3.031 N/A VAL 216.A N ALA 196.A O no hydrogen 2.780 N/A ALA 219.A N ASP 217.A OD1 no hydrogen 2.606 N/A LYS 220.A N ASP 217.A O no hydrogen 2.830 N/A GLU 221.A N ASP 217.A O no hydrogen 3.004 N/A SER 225.A OG GLU 221.A OE2 no hydrogen 2.499 N/A SER 225.A OG GLU 222.A O no hydrogen 3.438 N/A ILE 226.A N GLU 222.A O no hydrogen 3.141 N/A ILE 227.A N GLU 223.A O no hydrogen 2.859 N/A GLU 228.A N SER 224.A O no hydrogen 3.220 N/A ARG 229.A N.A SER 225.A O no hydrogen 2.965 N/A ARG 229.A N.B SER 225.A O no hydrogen 2.996 N/A ARG 229.A NH1.A VAL 215.A O no hydrogen 2.734 N/A ARG 229.A NH2.A VAL 215.A O no hydrogen 2.808 N/A ARG 229.A NH2.A GLU 221.A OE1 no hydrogen 2.613 N/A ILE 230.A N ILE 226.A O no hydrogen 3.058 N/A ARG 231.A N ILE 227.A O no hydrogen 2.728 N/A SER 232.A N GLU 228.A O no hydrogen 2.793 N/A SER 232.A OG ARG 229.A O.A no hydrogen 3.182 N/A SER 232.A OG ARG 229.A O.B no hydrogen 3.160 N/A ALA 233.A N ARG 229.A O.A no hydrogen 3.161 N/A ALA 233.A N ARG 229.A O.B no hydrogen 3.042 N/A ALA 233.A N ILE 230.A O no hydrogen 3.123 N/A ILE 234.A N ARG 231.A O no hydrogen 3.448 N/A LEU 237.A N ASP 236.A OD1 no hydrogen 2.715 N/A VAL 240.A N THR 168.A O no hydrogen 3.321 N/A THR 241.A N THR 263.A O.A no hydrogen 2.846 N/A THR 241.A N THR 263.A O.B no hydrogen 2.956 N/A THR 241.A OG1 THR 258.A OG1 no hydrogen 2.698 N/A ILE 242.A N LEU 170.A O no hydrogen 2.802 N/A ASP 243.A N MET 265.A O no hydrogen 2.937 N/A CYS 244.A N ILE 172.A O no hydrogen 3.096 N/A CYS 244.A SG ILE 242.A O no hydrogen 3.920 N/A SER 245.A N ASP 243.A OD1 no hydrogen 3.008 N/A SER 245.A OG ASP 243.A OD1 no hydrogen 2.846 N/A GLY 246.A N ASP 243.A OD2 no hydrogen 2.809 N/A ASN 247.A N SER 245.A OG no hydrogen 3.112 N/A ILE 251.A N ASN 247.A O no hydrogen 2.890 N/A THR 252.A N GLU 248.A O no hydrogen 2.903 N/A THR 252.A OG1 GLU 248.A O no hydrogen 2.631 N/A ILE 253.A N LYS 249.A O no hydrogen 2.939 N/A GLY 254.A N CYS 250.A O no hydrogen 2.839 N/A ILE 255.A N ILE 251.A O no hydrogen 2.895 N/A ASN 256.A N THR 252.A O no hydrogen 3.011 N/A ILE 257.A N ILE 253.A O no hydrogen 2.719 N/A THR 258.A N GLY 254.A O no hydrogen 3.064 N/A THR 258.A OG1 THR 241.A OG1 no hydrogen 2.698 N/A THR 258.A OG1 GLY 254.A O no hydrogen 2.525 N/A ARG 259.A N PRO 238.A O no hydrogen 2.915 N/A ARG 259.A NE LEU 237.A O no hydrogen 3.018 N/A ARG 259.A NH2 LEU 237.A O no hydrogen 2.902 N/A GLY 261.A N ARG 284.A O no hydrogen 2.960 N/A GLY 262.A N ARG 259.A O no hydrogen 2.757 N/A THR 263.A N.A ASN 239.A O no hydrogen 2.779 N/A THR 263.A N.B ASN 239.A O no hydrogen 2.822 N/A LEU 264.A N ASP 287.A O no hydrogen 2.859 N/A MET 265.A N THR 241.A O no hydrogen 2.747 N/A LEU 266.A N LYS 289.A O no hydrogen 2.748 N/A VAL 267.A N ASP 243.A O no hydrogen 3.057 N/A GLY 268.A N ASP 243.A O no hydrogen 3.131 N/A GLN 272.A N SER 271.A OG no hydrogen 2.651 N/A THR 275.A N GLU 248.A OE1 no hydrogen 2.834 N/A ASN 280.A N PRO 277.A O no hydrogen 2.885 N/A ASN 280.A ND2 ASN 256.A OD1 no hydrogen 2.563 N/A ALA 281.A N LEU 278.A O no hydrogen 2.905 N/A CYS 282.A N LEU 278.A O no hydrogen 3.076 N/A ALA 283.A N VAL 279.A O no hydrogen 3.068 N/A ARG 284.A N ALA 281.A O no hydrogen 3.144 N/A ARG 284.A NH1 THR 258.A O no hydrogen 3.232 N/A ARG 284.A NH1 THR 260.A OG1 no hydrogen 3.000 N/A ARG 284.A NH2 THR 258.A O no hydrogen 3.049 N/A GLU 285.A N CYS 282.A O no hydrogen 3.042 N/A ILE 286.A N ALA 281.A O no hydrogen 2.886 N/A ASP 287.A N GLY 262.A O no hydrogen 3.142 N/A LYS 289.A N LEU 264.A O no hydrogen 2.863 N/A VAL 291.A N LEU 266.A O no hydrogen 3.147 N/A TYR 294.A OH GLU 149.A OE2 no hydrogen 2.666 N/A CYS 295.A N ASP 297.A OD2 no hydrogen 2.704 N/A CYS 295.A SG GLY 102.A O no hydrogen 3.320 N/A CYS 295.A SG ASN 105.A OD1 no hydrogen 3.392 N/A ASN 296.A N TYR 104.A OH no hydrogen 2.953 N/A ILE 300.A N ASP 297.A O no hydrogen 2.860 N/A ALA 301.A N ASP 297.A O no hydrogen 2.957 N/A LEU 302.A N TYR 298.A O no hydrogen 2.885 N/A GLU 303.A N PRO 299.A O no hydrogen 2.979 N/A MET 304.A N ILE 300.A O no hydrogen 2.826 N/A VAL 305.A N ALA 301.A O no hydrogen 3.075 N/A ALA 306.A N LEU 302.A O no hydrogen 2.786 N/A SER 307.A N GLU 303.A O no hydrogen 3.035 N/A SER 307.A OG GLU 303.A O no hydrogen 2.723 N/A SER 307.A OG MET 304.A O no hydrogen 3.460 N/A GLY 308.A N VAL 305.A O no hydrogen 3.098 N/A ARG 309.A N MET 304.A O no hydrogen 2.858 N/A CYS 310.A N MET 304.A O no hydrogen 3.226 N/A CYS 310.A SG LEU 183.A O no hydrogen 3.658 N/A GLN 314.A N ASN 311.A OD1 no hydrogen 2.877 N/A GLN 314.A NE2 ASN 311.A O no hydrogen 2.849 N/A LEU 315.A N VAL 312.A O no hydrogen 2.898 N/A VAL 316.A N LYS 313.A O no hydrogen 3.066 N/A THR 317.A N LYS 341.A O no hydrogen 2.966 N/A THR 317.A OG1 HIS 318.A ND1 no hydrogen 2.928 N/A THR 317.A OG1 LYS 341.A O no hydrogen 3.543 N/A HIS 318.A N LYS 341.A O no hydrogen 3.534 N/A HIS 318.A ND1 THR 317.A OG1 no hydrogen 2.928 N/A PHE 320.A N MET 343.A O no hydrogen 2.817 N/A GLU 323.A N GLU 323.A OE1 no hydrogen 2.612 N/A GLN 324.A N LYS 321.A O no hydrogen 2.946 N/A THR 325.A N LEU 322.A O no hydrogen 3.067 N/A THR 325.A OG1 LEU 322.A O no hydrogen 2.736 N/A ALA 328.A N GLN 324.A O no hydrogen 2.882 N/A PHE 329.A N THR 325.A O no hydrogen 2.801 N/A GLU 330.A N VAL 326.A O no hydrogen 2.912 N/A ALA 331.A N ASP 327.A O no hydrogen 2.893 N/A ALA 332.A N ALA 328.A O no hydrogen 2.939 N/A ARG 333.A N PHE 329.A O no hydrogen 2.595 N/A ARG 333.A NE GLU 330.A OE2 no hydrogen 2.693 N/A ARG 333.A NH2 GLU 330.A OE1 no hydrogen 3.382 N/A ARG 333.A NH2 GLU 330.A OE2 no hydrogen 2.724 N/A LYS 334.A N GLU 330.A O no hydrogen 2.912 N/A THR 339.A N ALA 336.A O no hydrogen 2.694 N/A THR 339.A OG1 ASN 338.A OD1 no hydrogen 3.274 N/A ILE 340.A N THR 317.A OG1 no hydrogen 2.773 N/A LYS 341.A N LEU 315.A O no hydrogen 2.992 N/A LYS 341.A NZ ILE 37.A O no hydrogen 2.836 N/A LYS 341.A NZ GLU 64.A OE1 no hydrogen 2.693 N/A LYS 341.A NZ GLU 64.A OE2 no hydrogen 3.191 N/A MET 343.A N HIS 318.A O no hydrogen 2.956 N/A ILE 344.A N VAL 35.A O no hydrogen 2.914 N/A SER 345.A N PHE 320.A O no hydrogen 2.818 N/A SER 345.A OG PHE 320.A O no hydrogen 3.342 N/A CYS 346.A N ALA 33.A O no hydrogen 2.735 N/A CYS 346.A SG ALA 123.A O no hydrogen 3.653 N/A