Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aje_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ALA 1.A O no hydrogen 3.240 N/A GLN 5.A N LEU 2.A O no hydrogen 3.255 N/A LEU 6.A N LEU 2.A O no hydrogen 3.066 N/A LEU 6.A N LYS 3.A O no hydrogen 2.870 N/A ILE 7.A N LYS 3.A O no hydrogen 2.654 N/A ASN 9.A ND2 LEU 11.A O no hydrogen 2.918 N/A GLN 15.A N ASP 41.A OD2 no hydrogen 2.985 N/A ASN 16.A N ASP 41.A OD1 no hydrogen 2.801 N/A LYS 17.A NZ GLU 42.A OE2 no hydrogen 3.132 N/A LYS 17.A NZ VAL 80.A O no hydrogen 2.580 N/A LYS 17.A NZ ALA 82.A O no hydrogen 2.690 N/A ILE 18.A N GLU 42.A O no hydrogen 3.083 N/A THR 19.A N LEU 86.A O no hydrogen 2.979 N/A THR 19.A OG1 SER 84.A OG no hydrogen 2.607 N/A VAL 20.A N ALA 44.A O no hydrogen 2.845 N/A VAL 21.A N ILE 88.A O no hydrogen 2.820 N/A GLY 22.A N VAL 46.A O no hydrogen 2.660 N/A VAL 23.A N ASP 47.A OD2 no hydrogen 3.033 N/A MET 28.A N GLY 24.A O no hydrogen 2.930 N/A ALA 29.A N ALA 25.A O no hydrogen 3.096 N/A CYS 30.A N VAL 26.A O no hydrogen 2.804 N/A CYS 30.A SG VAL 26.A O no hydrogen 3.177 N/A ALA 31.A N GLY 27.A O no hydrogen 2.771 N/A ILE 32.A N MET 28.A O no hydrogen 2.874 N/A SER 33.A N ALA 29.A O no hydrogen 3.052 N/A SER 33.A OG ALA 29.A O no hydrogen 2.822 N/A ILE 34.A N CYS 30.A O no hydrogen 3.021 N/A LEU 35.A N ALA 31.A O no hydrogen 2.956 N/A MET 36.A N ILE 32.A O no hydrogen 2.884 N/A MET 36.A N SER 33.A O no hydrogen 3.021 N/A LYS 37.A N ILE 34.A O no hydrogen 3.239 N/A LYS 37.A NZ GLU 256.A OE1 no hydrogen 3.047 N/A LEU 39.A N ILE 34.A O no hydrogen 3.511 N/A ASP 41.A N ASN 16.A O no hydrogen 2.950 N/A LEU 43.A N LYS 71.A O no hydrogen 3.004 N/A ALA 44.A N ILE 18.A O no hydrogen 3.117 N/A LEU 45.A N VAL 73.A O no hydrogen 3.020 N/A VAL 46.A N VAL 20.A O no hydrogen 3.028 N/A VAL 48.A N ASP 47.A OD1 no hydrogen 2.517 N/A LYS 52.A NZ GLU 56.A OE2 no hydrogen 2.762 N/A LEU 53.A N ILE 49.A O no hydrogen 3.037 N/A LYS 54.A N GLU 50.A O no hydrogen 2.923 N/A GLY 55.A N ASP 51.A O no hydrogen 2.860 N/A GLU 56.A N LYS 52.A O no hydrogen 2.935 N/A MET 57.A N LEU 53.A O no hydrogen 3.016 N/A MET 58.A N LYS 54.A O no hydrogen 2.939 N/A ASP 59.A N GLY 55.A O no hydrogen 3.060 N/A LEU 60.A N GLU 56.A O no hydrogen 2.931 N/A GLN 61.A N MET 57.A O no hydrogen 2.853 N/A GLN 61.A NE2 ILE 72.A O no hydrogen 2.697 N/A HIS 62.A N MET 58.A O no hydrogen 2.825 N/A GLY 63.A N LEU 60.A O no hydrogen 3.033 N/A SER 64.A N GLN 61.A O no hydrogen 2.939 N/A SER 64.A OG GLN 61.A O no hydrogen 2.859 N/A PHE 66.A N GLY 63.A O no hydrogen 2.865 N/A LEU 67.A N SER 64.A O no hydrogen 3.095 N/A THR 69.A OG1 ALA 40.A O no hydrogen 3.165 N/A VAL 73.A N LEU 43.A O no hydrogen 2.877 N/A SER 75.A N LEU 45.A O no hydrogen 3.130 N/A LYS 76.A NZ GLU 50.A OE1 no hydrogen 3.517 N/A ASP 77.A N SER 75.A OG no hydrogen 3.144 N/A SER 79.A N ASP 77.A OD1 no hydrogen 3.126 N/A VAL 80.A N ASP 77.A O no hydrogen 3.266 N/A THR 81.A N TYR 78.A O no hydrogen 2.876 N/A THR 81.A OG1 TYR 78.A O no hydrogen 2.466 N/A ALA 82.A N SER 79.A O no hydrogen 3.498 N/A ASN 83.A N TYR 122.A O no hydrogen 3.318 N/A SER 84.A N SER 123.A OG no hydrogen 2.935 N/A SER 84.A OG THR 19.A OG1 no hydrogen 2.607 N/A SER 84.A OG THR 81.A O no hydrogen 2.505 N/A LYS 85.A N LYS 17.A O no hydrogen 2.732 N/A VAL 87.A N LYS 127.A O no hydrogen 2.891 N/A ILE 88.A N THR 19.A O no hydrogen 3.030 N/A ILE 89.A N LEU 129.A O no hydrogen 2.990 N/A THR 90.A N VAL 21.A O no hydrogen 2.749 N/A THR 90.A OG1 VAL 21.A O no hydrogen 2.764 N/A ALA 93.A N ASN 108.A OD1 no hydrogen 2.717 N/A GLN 96.A NE2 ARG 94.A O no hydrogen 3.031 N/A GLU 99.A N GLN 96.A O no hydrogen 2.949 N/A ARG 101.A NE HIS 188.A NE2 no hydrogen 3.360 N/A LEU 102.A N SER 100.A OG no hydrogen 2.836 N/A ASN 103.A N SER 100.A O no hydrogen 3.227 N/A LEU 104.A N ARG 101.A O no hydrogen 3.204 N/A VAL 105.A N LEU 102.A O no hydrogen 3.479 N/A ARG 107.A NH2 ASN 103.A O no hydrogen 2.735 N/A ASN 108.A N LEU 104.A O no hydrogen 3.111 N/A ASN 108.A ND2 ALA 93.A O no hydrogen 3.232 N/A ASN 108.A ND2 ASN 133.A O no hydrogen 2.577 N/A VAL 109.A N VAL 105.A O no hydrogen 2.924 N/A ASN 110.A N GLN 106.A O no hydrogen 3.153 N/A ILE 111.A N ARG 107.A O no hydrogen 3.118 N/A PHE 112.A N ASN 108.A O no hydrogen 3.126 N/A LYS 113.A N VAL 109.A O no hydrogen 2.912 N/A PHE 114.A N ILE 111.A O no hydrogen 2.724 N/A ILE 115.A N ILE 111.A O no hydrogen 2.788 N/A ILE 116.A N PHE 112.A O no hydrogen 3.001 N/A ASN 118.A ND2 PHE 114.A O no hydrogen 3.072 N/A VAL 119.A N ILE 115.A O no hydrogen 2.929 N/A VAL 120.A N ILE 116.A O no hydrogen 2.950 N/A LYS 121.A N PRO 117.A O no hydrogen 2.864 N/A TYR 122.A N ASN 118.A O no hydrogen 3.463 N/A TYR 122.A N VAL 119.A O no hydrogen 3.255 N/A SER 123.A N VAL 119.A O no hydrogen 2.939 N/A CYS 126.A N SER 123.A O no hydrogen 3.191 N/A CYS 126.A SG SER 123.A O no hydrogen 3.377 N/A CYS 126.A SG LYS 127.A O no hydrogen 3.693 N/A LYS 127.A N LYS 85.A O no hydrogen 2.949 N/A LYS 127.A NZ LYS 85.A O no hydrogen 3.448 N/A LYS 127.A NZ GLN 292.A O no hydrogen 2.953 N/A LEU 128.A N ARG 152.A O no hydrogen 2.808 N/A LEU 129.A N VAL 87.A O no hydrogen 2.803 N/A ILE 130.A N ILE 154.A O no hydrogen 2.645 N/A VAL 131.A N ILE 89.A O no hydrogen 3.003 N/A SER 132.A N ILE 89.A O no hydrogen 3.243 N/A SER 132.A OG ILE 89.A O no hydrogen 3.314 N/A SER 132.A OG ALA 91.A O no hydrogen 2.414 N/A LEU 138.A N PRO 134.A O no hydrogen 2.896 N/A THR 139.A N VAL 135.A O no hydrogen 2.640 N/A THR 139.A OG1 VAL 135.A O no hydrogen 2.747 N/A TYR 140.A N ASP 136.A O no hydrogen 3.256 N/A VAL 141.A N ILE 137.A O no hydrogen 2.951 N/A ALA 142.A N LEU 138.A O no hydrogen 2.990 N/A TRP 143.A N THR 139.A O no hydrogen 3.062 N/A LYS 144.A N TYR 140.A O no hydrogen 2.929 N/A ILE 145.A N VAL 141.A O no hydrogen 2.816 N/A SER 146.A N ALA 142.A O no hydrogen 2.804 N/A SER 146.A OG ALA 142.A O no hydrogen 3.027 N/A SER 146.A OG TRP 143.A O no hydrogen 3.403 N/A GLY 147.A N TRP 143.A O no hydrogen 3.347 N/A PHE 148.A N SER 146.A OG no hydrogen 2.968 N/A ASN 151.A ND2 ASN 293.A O no hydrogen 2.683 N/A ARG 152.A N PRO 149.A O no hydrogen 2.992 N/A ARG 152.A NE CYS 126.A O no hydrogen 2.993 N/A ARG 152.A NH2 PRO 124.A O no hydrogen 2.831 N/A ARG 152.A NH2 CYS 126.A O no hydrogen 3.272 N/A VAL 153.A N LYS 150.A O no hydrogen 3.101 N/A ILE 154.A N LEU 128.A O no hydrogen 2.793 N/A GLY 155.A N SER 269.A O no hydrogen 3.173 N/A SER 156.A N ILE 130.A O no hydrogen 2.777 N/A SER 156.A OG ILE 130.A O no hydrogen 3.027 N/A CYS 158.A N PRO 267.A O no hydrogen 3.107 N/A CYS 158.A N SER 285.A OG no hydrogen 2.794 N/A CYS 158.A SG GLY 186.A O no hydrogen 3.329 N/A ASN 159.A N SER 156.A O no hydrogen 3.272 N/A ASN 159.A ND2 SER 250.A OG no hydrogen 2.767 N/A SER 162.A N CYS 158.A O no hydrogen 2.985 N/A SER 162.A OG CYS 158.A O no hydrogen 3.094 N/A ALA 163.A N ASN 159.A O no hydrogen 3.127 N/A ARG 164.A N LEU 160.A O no hydrogen 2.641 N/A PHE 165.A N ASP 161.A O no hydrogen 2.844 N/A ARG 166.A N SER 162.A O no hydrogen 2.817 N/A ARG 166.A NE CYS 180.A O no hydrogen 2.681 N/A ARG 166.A NH2 PRO 177.A O no hydrogen 3.173 N/A ARG 166.A NH2 CYS 180.A O no hydrogen 3.452 N/A TYR 167.A N ALA 163.A O no hydrogen 2.794 N/A LEU 168.A N ARG 164.A O no hydrogen 3.069 N/A MET 169.A N PHE 165.A O no hydrogen 2.983 N/A GLY 170.A N ARG 166.A O no hydrogen 3.063 N/A GLU 171.A N TYR 167.A O no hydrogen 2.827 N/A ARG 172.A N LEU 168.A O no hydrogen 3.073 N/A ARG 172.A NH1 GLU 220.A O no hydrogen 2.828 N/A LEU 173.A N MET 169.A O no hydrogen 2.952 N/A GLY 174.A N GLY 170.A O no hydrogen 2.884 N/A VAL 175.A N GLY 170.A O no hydrogen 3.102 N/A LEU 178.A N HIS 176.A ND1 no hydrogen 3.029 N/A SER 179.A N HIS 176.A O no hydrogen 2.713 N/A CYS 180.A N PRO 177.A O no hydrogen 3.062 N/A CYS 180.A SG HIS 176.A O no hydrogen 3.895 N/A HIS 181.A N ASN 200.A O no hydrogen 3.077 N/A VAL 184.A N SER 162.A OG no hydrogen 3.087 N/A LEU 185.A N VAL 193.A O no hydrogen 3.056 N/A GLY 186.A N SER 285.A O no hydrogen 2.789 N/A GLU 187.A N SER 314.A OG no hydrogen 2.876 N/A HIS 188.A N ASP 136.A OD2 no hydrogen 2.840 N/A HIS 188.A ND1 ASP 161.A OD1 no hydrogen 2.630 N/A GLY 189.A N GLU 187.A O no hydrogen 2.717 N/A SER 191.A N GLU 187.A OE1 no hydrogen 3.000 N/A SER 191.A OG GLU 187.A OE1 no hydrogen 2.642 N/A SER 191.A OG SER 314.A OG no hydrogen 3.170 N/A SER 192.A N GLY 189.A O no hydrogen 3.298 N/A SER 192.A OG GLY 189.A O no hydrogen 3.542 N/A SER 192.A OG HIS 226.A NE2 no hydrogen 2.507 N/A VAL 193.A N LEU 185.A O no hydrogen 2.957 N/A VAL 195.A N TRP 183.A O no hydrogen 2.955 N/A GLY 198.A N VAL 195.A O no hydrogen 3.309 N/A VAL 199.A N TRP 196.A O no hydrogen 3.363 N/A ASN 200.A N HIS 181.A O no hydrogen 3.012 N/A ASN 200.A ND2 GLY 198.A O no hydrogen 2.945 N/A VAL 201.A N VAL 204.A O no hydrogen 3.344 N/A GLY 203.A N ASN 200.A OD1 no hydrogen 3.005 N/A VAL 204.A N VAL 201.A O no hydrogen 2.938 N/A LEU 206.A N VAL 199.A O no hydrogen 2.956 N/A SER 208.A N SER 205.A O no hydrogen 3.208 N/A SER 208.A N SER 205.A OG no hydrogen 3.139 N/A SER 208.A OG SER 205.A O no hydrogen 2.791 N/A LEU 209.A N LEU 206.A O no hydrogen 3.254 N/A ASN 210.A N LEU 206.A O no hydrogen 3.206 N/A ASN 210.A N LYS 207.A O no hydrogen 3.197 N/A ASN 210.A ND2 ASP 218.A OD1 no hydrogen 3.291 N/A GLN 212.A N ASN 210.A OD1 no hydrogen 3.291 N/A LEU 213.A N ASN 210.A O no hydrogen 2.978 N/A GLY 214.A N ASP 218.A OD2 no hydrogen 3.323 N/A THR 215.A N GLN 212.A O no hydrogen 3.094 N/A THR 215.A OG1 GLN 212.A O no hydrogen 2.524 N/A ASP 218.A N THR 215.A O no hydrogen 2.948 N/A GLU 220.A N ASP 218.A OD1 no hydrogen 2.599 N/A GLN 221.A N ASP 218.A O no hydrogen 2.945 N/A GLN 221.A NE2 ASP 216.A O no hydrogen 3.527 N/A TRP 222.A N ASP 218.A OD2 no hydrogen 3.133 N/A ASP 224.A N.A GLN 221.A O no hydrogen 2.882 N/A ASP 224.A N.B GLN 221.A O no hydrogen 2.896 N/A VAL 225.A N TRP 222.A O no hydrogen 2.906 N/A HIS 226.A NE2 SER 192.A OG no hydrogen 2.507 N/A LYS 227.A N LYS 223.A O no hydrogen 2.933 N/A GLN 228.A N ASP 224.A O.A no hydrogen 2.682 N/A GLN 228.A N ASP 224.A O.B no hydrogen 2.765 N/A GLN 228.A NE2 ASP 224.A OD2.A no hydrogen 3.072 N/A VAL 229.A N VAL 225.A O no hydrogen 2.989 N/A VAL 230.A N HIS 226.A O no hydrogen 2.860 N/A ASP 231.A N LYS 227.A O no hydrogen 2.941 N/A SER 232.A N VAL 229.A O no hydrogen 3.473 N/A SER 232.A OG GLN 228.A O no hydrogen 3.540 N/A SER 232.A OG VAL 229.A O no hydrogen 2.795 N/A TYR 234.A OH ASP 190.A OD1 no hydrogen 2.588 N/A GLU 235.A N ASP 231.A O no hydrogen 2.980 N/A VAL 236.A N SER 232.A O no hydrogen 2.807 N/A ILE 237.A N ALA 233.A O no hydrogen 2.925 N/A LYS 238.A N TYR 234.A O no hydrogen 3.028 N/A LEU 239.A N GLU 235.A O no hydrogen 2.997 N/A LEU 239.A N VAL 236.A O no hydrogen 3.069 N/A LYS 240.A N VAL 236.A O no hydrogen 2.856 N/A LYS 240.A NZ SER 244.A OG no hydrogen 3.155 N/A GLY 241.A N ILE 237.A O no hydrogen 2.837 N/A GLY 248.A N SER 244.A O no hydrogen 2.836 N/A LEU 249.A N TRP 245.A O no hydrogen 3.033 N/A SER 250.A N ALA 246.A O no hydrogen 2.946 N/A VAL 251.A N ILE 247.A O no hydrogen 2.957 N/A ALA 252.A N GLY 248.A O no hydrogen 2.864 N/A ASP 253.A N LEU 249.A O no hydrogen 3.131 N/A LEU 254.A N SER 250.A O no hydrogen 3.078 N/A ALA 255.A N VAL 251.A O no hydrogen 2.851 N/A GLU 256.A N ALA 252.A O no hydrogen 2.694 N/A SER 257.A N ASP 253.A O no hydrogen 3.137 N/A SER 257.A OG HIS 266.A NE2 no hydrogen 2.944 N/A ILE 258.A N LEU 254.A O no hydrogen 3.070 N/A MET 259.A N ALA 255.A O no hydrogen 2.820 N/A LYS 260.A N GLU 256.A O no hydrogen 3.083 N/A ASN 261.A N ILE 258.A O no hydrogen 3.306 N/A LEU 262.A N SER 257.A O no hydrogen 2.966 N/A ARG 263.A NH1 SER 296.A OG no hydrogen 2.953 N/A ARG 263.A NH2 ASP 297.A OD1 no hydrogen 3.061 N/A ARG 264.A NE SER 257.A OG no hydrogen 2.808 N/A ARG 264.A NH2 SER 257.A OG no hydrogen 2.842 N/A HIS 266.A N CYS 288.A O no hydrogen 2.751 N/A HIS 266.A ND1 ASN 159.A OD1 no hydrogen 3.109 N/A HIS 266.A NE2 SER 257.A OG no hydrogen 2.944 N/A ILE 268.A N VAL 286.A O no hydrogen 3.404 N/A SER 269.A N GLY 155.A O no hydrogen 2.788 N/A SER 269.A OG ASP 136.A OD1 no hydrogen 2.622 N/A THR 270.A N LEU 284.A O no hydrogen 3.154 N/A ILE 272.A N VAL 282.A O no hydrogen 2.897 N/A GLY 274.A N ILE 278.A O no hydrogen 2.557 N/A LEU 275.A N ILE 272.A O no hydrogen 3.060 N/A TYR 276.A OH VAL 301.A O no hydrogen 3.077 N/A ILE 278.A N LEU 275.A O no hydrogen 2.892 N/A VAL 282.A N GLU 280.A O no hydrogen 2.876 N/A LEU 284.A N THR 270.A O no hydrogen 3.101 N/A SER 285.A N GLY 186.A O no hydrogen 2.955 N/A CYS 288.A N HIS 266.A O no hydrogen 2.777 N/A CYS 288.A SG ILE 268.A O no hydrogen 3.856 N/A CYS 288.A SG VAL 286.A O no hydrogen 3.268 N/A ILE 289.A N ASP 297.A O no hydrogen 2.902 N/A LEU 290.A N ARG 264.A O no hydrogen 2.841 N/A GLY 291.A N GLY 294.A O no hydrogen 2.957 N/A GLN 292.A N ASN 261.A OD1 no hydrogen 3.083 N/A GLY 294.A N GLY 291.A O no hydrogen 3.077 N/A ILE 295.A N ASN 151.A O no hydrogen 2.866 N/A SER 296.A N ILE 289.A O no hydrogen 3.214 N/A SER 296.A OG ASP 297.A OD1 no hydrogen 2.429 N/A VAL 299.A N PRO 287.A O no hydrogen 2.851 N/A THR 304.A N GLU 307.A OE1 no hydrogen 2.878 N/A THR 304.A OG1 ASP 306.A OD1 no hydrogen 2.924 N/A ASP 306.A N ASP 306.A OD1 no hydrogen 2.270 N/A GLU 308.A N THR 304.A O no hydrogen 2.859 N/A ARG 310.A N ASP 306.A O no hydrogen 2.497 N/A LEU 311.A N GLU 307.A O no hydrogen 2.856 N/A LYS 312.A N GLU 308.A O no hydrogen 2.861 N/A LYS 312.A NZ GLY 277.A O no hydrogen 3.219 N/A LYS 313.A N ALA 309.A O no hydrogen 2.490 N/A SER 314.A N ARG 310.A O no hydrogen 3.110 N/A SER 314.A OG SER 191.A OG no hydrogen 3.170 N/A ALA 315.A N LEU 311.A O no hydrogen 2.794 N/A ASP 316.A N LYS 312.A O no hydrogen 2.773 N/A THR 317.A N LYS 313.A O no hydrogen 2.896 N/A LEU 318.A N SER 314.A O no hydrogen 3.386 N/A TRP 319.A N ALA 315.A O no hydrogen 3.146 N/A GLY 320.A N ASP 316.A O no hydrogen 2.689 N/A ILE 321.A N LEU 318.A O no hydrogen 3.005 N/A GLN 322.A N LEU 318.A O no hydrogen 2.921 N/A GLN 322.A NE2 ASP 281.A O no hydrogen 2.626 N/A