Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aqt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N ARG 8.A O no hydrogen 2.870 N/A GLY 7.A N ASP 4.A O no hydrogen 2.805 N/A ARG 8.A N ASP 4.A OD1 no hydrogen 2.761 N/A GLN 10.A N CYS 2.A O no hydrogen 3.209 N/A ARG 11.A NH2 ASP 193.A OD2 no hydrogen 2.722 N/A CYS 12.A N GLY 248.A O no hydrogen 2.971 N/A CYS 12.A SG GLY 248.A O no hydrogen 3.462 N/A CYS 12.A SG HIS 267.A NE2 no hydrogen 3.610 N/A VAL 17.A N GLY 242.A O no hydrogen 2.683 N/A PHE 21.A N ASN 18.A O no hydrogen 3.264 N/A PHE 21.A N ASN 18.A OD1 no hydrogen 2.612 N/A ASN 22.A N THR 65.A O no hydrogen 3.065 N/A VAL 23.A N ALA 20.A O no hydrogen 2.816 N/A VAL 26.A N THR 94.A O no hydrogen 3.222 N/A THR 28.A N ASN 92.A O no hydrogen 2.965 N/A CYS 31.A N GLN 77.A O no hydrogen 3.071 N/A CYS 31.A SG GLN 77.A O no hydrogen 3.508 N/A CYS 31.A SG GLN 77.A OE1 no hydrogen 3.548 N/A GLU 36.A N CYS 50.A O no hydrogen 3.288 N/A TYR 38.A N HIS 48.A O no hydrogen 3.348 N/A CYS 39.A N LYS 229.A O no hydrogen 2.398 N/A CYS 47.A SG LYS 45.A O no hydrogen 3.742 N/A HIS 48.A N TYR 38.A O no hydrogen 2.901 N/A CYS 50.A N GLU 36.A O no hydrogen 3.182 N/A ASP 51.A N LEU 57.A O no hydrogen 3.467 N/A ALA 52.A N GLY 32.A O no hydrogen 3.218 N/A GLN 54.A NE2 ASP 51.A OD2 no hydrogen 3.147 N/A LEU 57.A N GLN 54.A O no hydrogen 3.195 N/A PHE 63.A N GLY 60.A O no hydrogen 3.194 N/A LEU 64.A N ALA 61.A O no hydrogen 2.896 N/A THR 65.A OG1 VAL 23.A O no hydrogen 2.435 N/A THR 74.A OG1 PHE 63.A O no hydrogen 2.861 N/A THR 74.A OG1 ASP 66.A OD1 no hydrogen 2.408 N/A THR 74.A OG1 ASP 66.A OD2 no hydrogen 3.094 N/A TRP 76.A N ILE 235.A O no hydrogen 2.886 N/A TRP 76.A NE1 ASN 29.A O no hydrogen 2.969 N/A GLN 77.A N HIS 59.A O no hydrogen 3.412 N/A SER 78.A N TYR 233.A O no hydrogen 2.880 N/A SER 78.A OG TYR 233.A O no hydrogen 2.875 N/A GLN 79.A N ASN 29.A OD1 no hydrogen 2.939 N/A THR 80.A N GLU 36.A OE2 no hydrogen 2.756 N/A THR 80.A OG1 GLU 36.A OE2 no hydrogen 3.083 N/A MET 81.A N TYR 231.A O no hydrogen 2.806 N/A ALA 83.A N THR 80.A O no hydrogen 2.630 N/A GLY 84.A N MET 81.A O no hydrogen 2.427 N/A GLN 86.A NE2 LEU 214.A O no hydrogen 3.451 N/A ILE 91.A N LEU 211.A O no hydrogen 3.025 N/A ASN 92.A N THR 28.A OG1 no hydrogen 2.837 N/A LEU 93.A N VAL 209.A O no hydrogen 3.082 N/A THR 94.A N VAL 26.A O no hydrogen 2.797 N/A LEU 95.A N ILE 207.A O no hydrogen 2.729 N/A HIS 96.A ND1 ASP 206.A OD1 no hydrogen 3.244 N/A LYS 99.A NZ ASP 273.A OD1 no hydrogen 2.369 N/A PHE 101.A N ALA 204.A O no hydrogen 2.817 N/A ASP 102.A N ARG 243.A O no hydrogen 2.788 N/A ILE 103.A N VAL 202.A O no hydrogen 2.747 N/A THR 104.A N GLY 241.A O no hydrogen 3.022 N/A TYR 105.A N GLY 241.A O no hydrogen 2.892 N/A VAL 106.A N PHE 180.A O no hydrogen 2.871 N/A ARG 107.A N ALA 239.A O no hydrogen 2.655 N/A LEU 108.A N VAL 178.A O no hydrogen 2.543 N/A LYS 109.A N ASP 237.A O no hydrogen 2.951 N/A PHE 110.A N GLY 176.A O no hydrogen 2.735 N/A HIS 111.A N ALA 234.A O no hydrogen 2.737 N/A THR 112.A OG1 TYR 232.A O no hydrogen 3.357 N/A THR 112.A OG1 ALA 234.A O no hydrogen 3.471 N/A SER 113.A OG ILE 170.A O no hydrogen 3.335 N/A GLU 116.A N ARG 213.A O no hydrogen 2.664 N/A SER 117.A N ARG 213.A O no hydrogen 3.261 N/A SER 117.A OG GLU 116.A OE1 no hydrogen 2.419 N/A SER 117.A OG SER 137.A OG no hydrogen 2.511 N/A PHE 118.A N TYR 136.A O no hydrogen 2.651 N/A ALA 119.A N THR 210.A O no hydrogen 3.094 N/A ILE 120.A N GLN 134.A O no hydrogen 2.820 N/A TYR 121.A N ARG 208.A O no hydrogen 2.554 N/A LYS 122.A N ILE 131.A O no hydrogen 2.780 N/A LYS 122.A NZ THR 124.A OG1 no hydrogen 3.049 N/A LYS 122.A NZ THR 203.A O no hydrogen 3.174 N/A ARG 123.A N ASP 206.A O no hydrogen 3.050 N/A ARG 123.A NE GLY 128.A O no hydrogen 3.518 N/A ARG 123.A NH2 ASP 127.A O no hydrogen 3.323 N/A ILE 131.A N LYS 122.A O no hydrogen 2.716 N/A TYR 133.A N ILE 120.A O no hydrogen 2.984 N/A TYR 133.A OH TRP 201.A O no hydrogen 2.626 N/A GLN 134.A N ILE 120.A O no hydrogen 3.204 N/A GLN 134.A NE2 TYR 135.A O no hydrogen 3.302 N/A TYR 135.A N LEU 162.A O no hydrogen 2.982 N/A TYR 136.A N PHE 118.A O no hydrogen 2.767 N/A SER 137.A N THR 164.A O no hydrogen 3.023 N/A SER 137.A OG SER 117.A OG no hydrogen 2.511 N/A GLY 138.A N GLU 116.A O no hydrogen 3.056 N/A SER 139.A N SER 137.A OG no hydrogen 2.795 N/A SER 139.A OG GLU 116.A OE1 no hydrogen 3.451 N/A SER 139.A OG GLU 116.A OE2 no hydrogen 2.967 N/A SER 139.A OG SER 137.A OG no hydrogen 3.084 N/A SER 139.A OG THR 143.A OG1 no hydrogen 2.826 N/A CYS 140.A SG SER 137.A O no hydrogen 3.403 N/A CYS 140.A SG ASN 148.A O no hydrogen 3.884 N/A GLU 141.A N GLU 141.A OE1 no hydrogen 2.474 N/A THR 143.A N SER 139.A O no hydrogen 2.639 N/A THR 143.A OG1 SER 139.A O no hydrogen 3.271 N/A THR 143.A OG1 SER 139.A OG no hydrogen 2.826 N/A TYR 144.A N CYS 140.A O no hydrogen 2.662 N/A LYS 146.A N CYS 140.A O no hydrogen 3.393 N/A LYS 146.A NZ ALA 161.A O no hydrogen 3.171 N/A ASN 148.A ND2 ASN 148.A O no hydrogen 2.346 N/A ASN 148.A ND2 ASP 165.A OD2 no hydrogen 2.362 N/A GLY 156.A N ARG 153.A O no hydrogen 3.080 N/A GLN 159.A N ASP 157.A OD1 no hydrogen 2.376 N/A GLN 160.A NE2 ASP 157.A O no hydrogen 3.316 N/A CYS 163.A SG TYR 135.A O no hydrogen 3.282 N/A THR 164.A N TYR 135.A O no hydrogen 3.169 N/A SER 168.A N ASP 165.A O no hydrogen 2.670 N/A SER 168.A OG GLU 116.A O no hydrogen 3.514 N/A SER 171.A OG ASP 169.A OD2 no hydrogen 3.280 N/A THR 174.A OG1 HIS 111.A O no hydrogen 3.210 N/A GLY 175.A N PHE 110.A O no hydrogen 2.816 N/A VAL 178.A N LEU 108.A O no hydrogen 2.879 N/A PHE 180.A N VAL 106.A O no hydrogen 2.562 N/A THR 182.A N THR 104.A O no hydrogen 3.140 N/A THR 182.A OG1 ILE 103.A O no hydrogen 2.964 N/A THR 182.A OG1 THR 104.A O no hydrogen 3.280 N/A GLU 184.A N SER 181.A O no hydrogen 2.831 N/A ARG 186.A N LEU 183.A O no hydrogen 3.208 N/A ARG 186.A NE THR 182.A O no hydrogen 3.131 N/A ARG 186.A NH1 GLU 158.A O no hydrogen 2.907 N/A ARG 186.A NH1 GLN 160.A O no hydrogen 2.878 N/A ALA 189.A N ARG 186.A O no hydrogen 2.806 N/A ASN 191.A N SER 188.A O no hydrogen 2.634 N/A ASN 191.A ND2 ASN 194.A O no hydrogen 3.553 N/A PHE 192.A N ALA 189.A O no hydrogen 3.427 N/A ASN 194.A N ASN 191.A O no hydrogen 2.716 N/A ASN 194.A ND2 ASN 191.A OD1 no hydrogen 3.050 N/A SER 195.A N PHE 192.A O no hydrogen 3.096 N/A LEU 198.A N SER 195.A OG no hydrogen 3.091 N/A GLN 199.A N SER 195.A O no hydrogen 2.627 N/A GLN 199.A NE2 PHE 192.A O no hydrogen 3.576 N/A GLU 200.A N PRO 196.A O no hydrogen 2.719 N/A TRP 201.A N VAL 197.A O no hydrogen 2.908 N/A VAL 202.A N LEU 198.A O no hydrogen 3.026 N/A THR 203.A N GLU 200.A O no hydrogen 2.759 N/A THR 203.A OG1 GLN 199.A O no hydrogen 2.854 N/A ALA 204.A N PHE 101.A O no hydrogen 2.895 N/A THR 205.A N ARG 123.A O no hydrogen 2.866 N/A ASP 206.A N ARG 123.A O no hydrogen 3.485 N/A ILE 207.A N LEU 95.A O no hydrogen 3.100 N/A ARG 208.A N TYR 121.A O no hydrogen 2.560 N/A VAL 209.A N LEU 93.A O no hydrogen 3.031 N/A THR 210.A N ALA 119.A O no hydrogen 2.796 N/A THR 210.A OG1 ASN 92.A OD1 no hydrogen 3.162 N/A LEU 211.A N ILE 91.A O no hydrogen 2.839 N/A ASN 212.A N SER 117.A O no hydrogen 2.918 N/A ASN 212.A ND2 TYR 144.A OH no hydrogen 2.362 N/A ARG 213.A N SER 117.A O no hydrogen 3.035 N/A ARG 213.A NH1 GLU 116.A OE1 no hydrogen 3.348 N/A ARG 213.A NH1 THR 143.A OG1 no hydrogen 2.793 N/A LEU 214.A N GLN 86.A OE1 no hydrogen 2.746 N/A ASN 215.A ND2 ARG 114.A O no hydrogen 3.269 N/A THR 216.A OG1 GLU 220.A OE2 no hydrogen 3.555 N/A PHE 217.A N TYR 231.A OH no hydrogen 2.717 N/A VAL 221.A N GLY 218.A O no hydrogen 3.012 N/A GLU 224.A N PHE 222.A O no hydrogen 2.191 N/A VAL 227.A N GLU 224.A O no hydrogen 2.937 N/A LEU 228.A N GLU 224.A O no hydrogen 3.138 N/A LYS 229.A N PRO 225.A O no hydrogen 3.065 N/A SER 230.A N VAL 227.A O no hydrogen 2.851 N/A SER 230.A OG GLN 41.A OE1 no hydrogen 3.004 N/A SER 230.A OG VAL 227.A O no hydrogen 2.413 N/A TYR 231.A N LEU 228.A O no hydrogen 3.034 N/A TYR 231.A OH ASP 219.A OD2 no hydrogen 3.008 N/A TYR 233.A N SER 78.A OG no hydrogen 2.396 N/A ILE 235.A N TRP 76.A O no hydrogen 2.996 N/A SER 236.A N LYS 109.A O no hydrogen 2.644 N/A SER 236.A OG LYS 109.A O no hydrogen 3.066 N/A PHE 238.A N LEU 64.A O no hydrogen 2.853 N/A ALA 239.A N ARG 107.A O no hydrogen 2.991 N/A GLY 242.A N VAL 17.A O no hydrogen 2.825 N/A ARG 243.A N ASP 102.A O no hydrogen 3.103 N/A ARG 243.A NH1 PRO 14.A O no hydrogen 3.189 N/A LYS 245.A N ALA 100.A O no hydrogen 3.215 N/A LYS 245.A NZ THR 203.A OG1 no hydrogen 2.756 N/A CYS 246.A SG CYS 244.A O no hydrogen 3.803 N/A ASN 247.A ND2 ASP 273.A O no hydrogen 2.665 N/A HIS 249.A N CYS 246.A O no hydrogen 3.262 N/A HIS 249.A NE2 ARG 287.A O no hydrogen 2.935 N/A VAL 254.A N MET 262.A O no hydrogen 2.723 N/A ASN 256.A N LYS 260.A O no hydrogen 3.338 N/A ASP 259.A N ASN 256.A O no hydrogen 3.110 N/A LYS 260.A N ASN 256.A OD1 no hydrogen 2.942 N/A MET 262.A N VAL 254.A O no hydrogen 3.068 N/A CYS 263.A SG LYS 245.A O no hydrogen 3.018 N/A CYS 263.A SG VAL 272.A O no hydrogen 3.200 N/A CYS 265.A SG CYS 263.A O no hydrogen 3.925 N/A CYS 265.A SG GLY 271.A O no hydrogen 3.347 N/A LYS 266.A N HIS 249.A O no hydrogen 2.664 N/A LYS 266.A NZ ASN 264.A OD1 no hydrogen 3.156 N/A ASN 268.A ND2 CYS 297.A O no hydrogen 3.067 N/A THR 269.A N LYS 266.A O no hydrogen 2.906 N/A THR 269.A OG1 LYS 266.A O no hydrogen 3.072 N/A TYR 270.A N LYS 276.A O no hydrogen 2.735 N/A ASP 273.A N GLU 275.A OE1 no hydrogen 2.663 N/A CYS 274.A N GLY 271.A O no hydrogen 3.351 N/A CYS 274.A SG HIS 249.A O no hydrogen 3.997 N/A GLU 275.A N GLU 275.A OE1 no hydrogen 2.505 N/A LYS 276.A N TYR 270.A O no hydrogen 3.335 N/A LEU 278.A N ASN 268.A O no hydrogen 3.140 N/A PHE 281.A N LEU 278.A O no hydrogen 3.068 N/A ASN 282.A ND2 CYS 309.A O no hydrogen 3.681 N/A ASP 283.A N LEU 298.A O no hydrogen 3.195 N/A ARG 284.A NE GLU 296.A O no hydrogen 3.358 N/A ARG 284.A NH2 GLU 296.A O no hydrogen 2.804 N/A TRP 286.A NE1 CYS 274.A O no hydrogen 2.872 N/A ALA 289.A N ASN 247.A O no hydrogen 3.156 N/A THR 290.A N SER 293.A O no hydrogen 3.229 N/A THR 290.A OG1 SER 293.A O no hydrogen 3.017 N/A SER 293.A N THR 290.A OG1 no hydrogen 3.219 N/A SER 295.A N SER 293.A O no hydrogen 2.978 N/A CYS 297.A N HIS 267.A O no hydrogen 3.003 N/A CYS 300.A N PHE 280.A O no hydrogen 2.875 N/A CYS 300.A SG PHE 280.A O no hydrogen 3.362 N/A ASN 303.A ND2 LYS 336.A O no hydrogen 2.712 N/A ARG 305.A N CYS 302.A O no hydrogen 3.323 N/A ARG 305.A NE CYS 337.A O no hydrogen 3.231 N/A SER 306.A OG GLU 308.A O no hydrogen 2.769 N/A SER 306.A OG THR 326.A O no hydrogen 2.575 N/A GLU 308.A N SER 306.A OG no hydrogen 2.899 N/A TYR 310.A N HIS 324.A O no hydrogen 2.630 N/A ASP 312.A N GLY 322.A O no hydrogen 2.829 N/A LEU 315.A N ASP 312.A OD1 no hydrogen 3.175 N/A TYR 316.A N ASP 312.A O no hydrogen 3.058 N/A ARG 317.A N PRO 313.A O no hydrogen 2.835 N/A SER 318.A N GLU 314.A O no hydrogen 2.910 N/A SER 318.A OG GLU 314.A O no hydrogen 3.073 N/A THR 319.A N LEU 315.A O no hydrogen 2.830 N/A GLY 322.A N ASP 283.A O no hydrogen 2.929 N/A HIS 324.A N TYR 310.A O no hydrogen 2.769 N/A HIS 324.A ND1 ASP 312.A OD2 no hydrogen 3.220 N/A CYS 325.A N ALA 335.A O no hydrogen 2.838 N/A CYS 325.A SG ALA 335.A O no hydrogen 3.446 N/A THR 326.A N GLU 308.A O no hydrogen 2.914 N/A CYS 328.A SG GLY 334.A O no hydrogen 4.011 N/A ARG 329.A N ARG 305.A O no hydrogen 3.433 N/A THR 332.A OG1 CYS 337.A O no hydrogen 3.431 N/A THR 332.A OG1 ARG 339.A O no hydrogen 3.127 N/A ASP 333.A N ARG 339.A O no hydrogen 2.707 N/A CYS 337.A N GLY 334.A O no hydrogen 3.154 N/A GLU 338.A N GLU 338.A OE1 no hydrogen 2.651 N/A ARG 339.A NE ASP 333.A OD2 no hydrogen 3.350 N/A ARG 339.A NH2 ASP 333.A OD2 no hydrogen 3.260 N/A ARG 341.A N ASN 331.A O no hydrogen 3.513 N/A PHE 345.A N SER 354.A O no hydrogen 2.983 N/A THR 350.A N GLY 348.A O no hydrogen 2.711 N/A SER 354.A N PHE 345.A O no hydrogen 3.188 N/A