Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u79_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N ASN 3.A OD1 no hydrogen 3.423 N/A GLN 4.A NE2 VAL 1.A O no hydrogen 3.310 N/A PHE 5.A N ASP 2.A O no hydrogen 2.993 N/A TYR 6.A N VAL 17.A O no hydrogen 2.945 N/A TYR 6.A OH TYR 21.A O no hydrogen 2.604 N/A SER 7.A OG THR 16.A OG1 no hydrogen 2.818 N/A VAL 8.A N PHE 15.A O no hydrogen 2.881 N/A VAL 10.A N SER 13.A O no hydrogen 2.836 N/A SER 13.A N VAL 10.A O no hydrogen 3.055 N/A SER 13.A OG VAL 10.A O no hydrogen 3.055 N/A THR 14.A OG1 GLU 9.A OE2 no hydrogen 2.965 N/A PHE 15.A N VAL 8.A O no hydrogen 2.992 N/A THR 16.A N TYR 98.A OH no hydrogen 3.044 N/A THR 16.A OG1 SER 7.A OG no hydrogen 2.818 N/A VAL 17.A N TYR 6.A O no hydrogen 3.024 N/A LYS 19.A N GLN 4.A O no hydrogen 3.030 N/A LYS 19.A NZ ASN 3.A O no hydrogen 2.526 N/A ARG 20.A NE ASP 38.A OD1 no hydrogen 3.117 N/A ARG 20.A NH2 ASP 38.A OD1 no hydrogen 3.488 N/A ARG 20.A NH2 ASP 38.A OD2 no hydrogen 3.009 N/A TYR 21.A N LEU 18.A O no hydrogen 3.025 N/A TYR 21.A OH ASN 83.A OD1 no hydrogen 2.937 N/A GLN 22.A N TYR 37.A O no hydrogen 2.691 N/A GLN 22.A NE2 LYS 19.A O no hydrogen 3.634 N/A LYS 25.A N ALA 35.A O no hydrogen 3.069 N/A ILE 27.A N VAL 33.A O no hydrogen 3.040 N/A ILE 32.A N LYS 49.A O no hydrogen 3.270 N/A VAL 33.A N GLY 28.A O no hydrogen 2.842 N/A CYS 34.A N ILE 47.A O no hydrogen 2.933 N/A ALA 35.A N LYS 25.A O no hydrogen 2.780 N/A ALA 36.A N VAL 45.A O no hydrogen 2.873 N/A TYR 37.A N GLN 22.A O no hydrogen 2.895 N/A TYR 37.A OH ASP 42.A OD1 no hydrogen 2.521 N/A ASP 38.A N ARG 43.A O no hydrogen 2.973 N/A ALA 39.A N ARG 20.A O no hydrogen 2.883 N/A VAL 40.A N ASP 38.A OD1 no hydrogen 2.909 N/A LEU 41.A N ASP 38.A OD1 no hydrogen 3.321 N/A ASP 42.A N ASP 38.A O no hydrogen 2.805 N/A ARG 43.A N ASP 38.A O no hydrogen 3.404 N/A VAL 45.A N ALA 36.A O no hydrogen 2.780 N/A ALA 46.A N MET 101.A O no hydrogen 2.767 N/A ILE 47.A N CYS 34.A O no hydrogen 2.724 N/A LYS 48.A N LEU 99.A O no hydrogen 2.683 N/A LYS 49.A N ILE 32.A O no hydrogen 2.768 N/A LYS 49.A NZ THR 14.A O no hydrogen 2.863 N/A LEU 50.A N VAL 97.A O no hydrogen 2.772 N/A ARG 52.A N GLN 95.A O no hydrogen 2.842 N/A ARG 52.A NH1 GLN 95.A OE1 no hydrogen 2.595 N/A GLN 55.A N ARG 52.A O no hydrogen 3.078 N/A GLN 55.A NE2 SER 51.A O no hydrogen 3.066 N/A GLN 55.A NE2 ARG 52.A O no hydrogen 2.698 N/A HIS 59.A N ASN 56.A OD1 no hydrogen 2.882 N/A ALA 60.A N ASN 56.A O no hydrogen 2.878 N/A LYS 61.A N GLN 57.A O no hydrogen 2.957 N/A ARG 62.A N THR 58.A O no hydrogen 3.296 N/A ALA 63.A N HIS 59.A O no hydrogen 2.943 N/A TYR 64.A N ALA 60.A O no hydrogen 3.065 N/A ARG 65.A N LYS 61.A O no hydrogen 2.970 N/A ARG 65.A NH1 PHE 163.A O no hydrogen 3.288 N/A ARG 65.A NH2 PHE 163.A O no hydrogen 3.281 N/A GLU 66.A N ARG 62.A O no hydrogen 2.943 N/A LEU 67.A N ALA 63.A O no hydrogen 3.115 N/A VAL 68.A N TYR 64.A O no hydrogen 2.959 N/A LEU 69.A N ARG 65.A O no hydrogen 2.862 N/A MET 70.A N GLU 66.A O no hydrogen 3.062 N/A LYS 71.A N VAL 68.A O no hydrogen 2.954 N/A LYS 71.A NZ GLU 334.A OE1 no hydrogen 3.144 N/A CYS 72.A N LEU 69.A O no hydrogen 2.793 N/A HIS 75.A NE2 GLU 311.A O no hydrogen 3.076 N/A LYS 76.A NZ GLU 311.A OE1 no hydrogen 3.392 N/A ASN 77.A N HIS 75.A ND1 no hydrogen 3.196 N/A ASN 77.A ND2 GLN 127.A OE1 no hydrogen 3.117 N/A ASN 77.A ND2 LEU 158.A O no hydrogen 3.051 N/A ILE 78.A N HIS 75.A O no hydrogen 2.989 N/A ILE 79.A N ILE 160.A O no hydrogen 2.869 N/A LEU 82.A N VAL 100.A O no hydrogen 2.842 N/A PHE 85.A N TYR 98.A O no hydrogen 3.122 N/A THR 86.A OG1 ASP 96.A O no hydrogen 2.778 N/A GLN 88.A N THR 86.A OG1 no hydrogen 3.266 N/A THR 90.A OG1 GLU 93.A OE1 no hydrogen 2.747 N/A GLU 93.A N THR 90.A O no hydrogen 3.024 N/A PHE 94.A N THR 90.A O no hydrogen 2.990 N/A GLN 95.A N GLN 88.A OE1 no hydrogen 3.238 N/A ASP 96.A N GLN 88.A OE1 no hydrogen 3.228 N/A VAL 97.A N LEU 50.A O no hydrogen 3.003 N/A TYR 98.A N PHE 85.A O no hydrogen 2.866 N/A LEU 99.A N LYS 48.A O no hydrogen 2.897 N/A VAL 100.A N ASN 83.A O no hydrogen 3.011 N/A MET 101.A N ALA 46.A O no hydrogen 2.960 N/A LEU 103.A N ASN 44.A O no hydrogen 3.309 N/A ASP 105.A N VAL 152.A O no hydrogen 2.900 N/A ALA 106.A N VAL 152.A O no hydrogen 2.935 N/A ASN 107.A N GLN 110.A OE1 no hydrogen 2.928 N/A LEU 108.A N PRO 147.A O no hydrogen 3.310 N/A LEU 108.A N ILE 150.A O no hydrogen 2.977 N/A GLN 110.A N ASN 107.A O no hydrogen 3.126 N/A GLN 110.A N ASN 107.A OD1 no hydrogen 3.177 N/A ILE 112.A N LEU 108.A O no hydrogen 2.842 N/A GLN 113.A N GLN 110.A O no hydrogen 3.304 N/A MET 114.A N VAL 111.A O no hydrogen 3.134 N/A HIS 118.A ND1 TYR 302.A OH no hydrogen 2.944 N/A ARG 120.A N ASP 117.A OD2 no hydrogen 3.040 N/A ARG 120.A NH1 ASP 117.A OD1 no hydrogen 3.002 N/A ARG 120.A NH1 ASP 117.A OD2 no hydrogen 3.221 N/A MET 121.A N ASP 117.A O no hydrogen 3.222 N/A SER 122.A N HIS 118.A O no hydrogen 2.850 N/A SER 122.A OG HIS 118.A O no hydrogen 2.526 N/A SER 122.A OG GLU 119.A O no hydrogen 3.174 N/A TYR 123.A N GLU 119.A O no hydrogen 3.145 N/A LEU 124.A N ARG 120.A O no hydrogen 2.943 N/A LEU 125.A N MET 121.A O no hydrogen 2.998 N/A TYR 126.A N SER 122.A O no hydrogen 2.942 N/A TYR 126.A OH GLU 311.A OE2 no hydrogen 2.600 N/A GLN 127.A N TYR 123.A O no hydrogen 3.072 N/A GLN 127.A N LEU 124.A O no hydrogen 3.186 N/A GLN 127.A NE2 TYR 123.A O no hydrogen 3.283 N/A GLN 127.A NE2 CYS 156.A O no hydrogen 2.823 N/A MET 128.A N LEU 124.A O no hydrogen 3.042 N/A LEU 129.A N LEU 125.A O no hydrogen 3.073 N/A CYS 130.A N TYR 126.A O no hydrogen 2.948 N/A CYS 130.A SG TYR 126.A O no hydrogen 3.250 N/A GLY 131.A N GLN 127.A O no hydrogen 2.944 N/A ILE 132.A N MET 128.A O no hydrogen 2.999 N/A LYS 133.A N LEU 129.A O no hydrogen 2.956 N/A LYS 133.A NZ ASP 295.A OD1 no hydrogen 2.964 N/A HIS 134.A N CYS 130.A O no hydrogen 2.971 N/A LEU 135.A N GLY 131.A O no hydrogen 2.992 N/A HIS 136.A N ILE 132.A O no hydrogen 2.723 N/A HIS 136.A NE2 ASP 189.A OD2 no hydrogen 2.637 N/A SER 137.A N LYS 133.A O no hydrogen 2.980 N/A SER 137.A OG HIS 134.A O no hydrogen 2.645 N/A ALA 138.A N HIS 134.A O no hydrogen 3.174 N/A ALA 138.A N LEU 135.A O no hydrogen 2.887 N/A GLY 139.A N HIS 136.A O no hydrogen 2.928 N/A ILE 140.A N LEU 135.A O no hydrogen 2.957 N/A HIS 142.A N ASP 189.A OD2 no hydrogen 3.144 N/A HIS 142.A NE2 ASP 162.A O no hydrogen 2.895 N/A ARG 143.A N ASP 189.A OD1 no hydrogen 2.752 N/A ARG 143.A NH1 ILE 141.A O no hydrogen 3.271 N/A ARG 143.A NH1 LEU 165.A O no hydrogen 3.441 N/A ARG 143.A NH2 ALA 166.A O no hydrogen 2.731 N/A ASP 144.A N HIS 142.A ND1 no hydrogen 3.097 N/A LYS 146.A N ASN 149.A OD1 no hydrogen 3.231 N/A LYS 146.A NZ ASP 144.A OD1 no hydrogen 3.385 N/A LYS 146.A NZ ASP 144.A OD2 no hydrogen 2.894 N/A LYS 146.A NZ THR 170.A O no hydrogen 3.265 N/A ASN 149.A N LYS 146.A O no hydrogen 2.998 N/A ASN 149.A ND2 ASP 144.A O no hydrogen 3.348 N/A ILE 150.A N PRO 147.A O no hydrogen 3.289 N/A VAL 151.A N LYS 159.A O no hydrogen 2.970 N/A VAL 152.A N ALA 106.A O no hydrogen 2.682 N/A LYS 153.A N THR 157.A O no hydrogen 3.044 N/A SER 154.A N ASP 105.A OD2 no hydrogen 2.872 N/A SER 154.A OG ASP 105.A OD2 no hydrogen 3.504 N/A CYS 156.A N LYS 153.A O no hydrogen 3.063 N/A CYS 156.A SG ARG 120.A O no hydrogen 3.919 N/A THR 157.A N ASP 155.A OD1 no hydrogen 3.014 N/A THR 157.A OG1 ASP 155.A OD1 no hydrogen 2.607 N/A LEU 158.A N GLN 127.A OE1 no hydrogen 2.977 N/A LYS 159.A N VAL 151.A O no hydrogen 2.764 N/A LYS 159.A NZ LYS 76.A O no hydrogen 2.716 N/A ILE 160.A N ASN 77.A O no hydrogen 2.857 N/A LEU 161.A N ASN 149.A O no hydrogen 2.926 N/A PHE 163.A N GLU 66.A OE1 no hydrogen 2.768 N/A GLY 164.A N ASP 162.A OD1 no hydrogen 3.229 N/A LEU 165.A N HIS 142.A O no hydrogen 3.050 N/A TYR 173.A OH GLU 199.A OE2 no hydrogen 2.496 N/A ARG 174.A N ARG 171.A O no hydrogen 2.990 N/A ARG 174.A NE ASP 144.A OD1 no hydrogen 3.152 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.757 N/A ILE 179.A N ALA 175.A O no hydrogen 2.963 N/A LEU 180.A N PRO 176.A O no hydrogen 2.819 N/A GLY 181.A N VAL 178.A O no hydrogen 2.866 N/A MET 182.A N GLU 177.A O no hydrogen 2.834 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.747 N/A ASN 187.A ND2 PRO 288.A O no hydrogen 2.815 N/A ASN 187.A ND2 ARG 291.A O no hydrogen 3.354 N/A VAL 188.A N LYS 185.A O no hydrogen 2.882 N/A ASP 189.A N GLU 186.A O no hydrogen 3.135 N/A ILE 190.A N ASN 187.A O no hydrogen 3.134 N/A SER 192.A OG TYR 173.A O no hydrogen 2.461 N/A VAL 193.A N ASP 189.A O no hydrogen 3.242 N/A GLY 194.A N ILE 190.A O no hydrogen 2.936 N/A CYS 195.A N TRP 191.A O no hydrogen 2.859 N/A CYS 195.A SG TRP 191.A O no hydrogen 3.455 N/A ILE 196.A N SER 192.A O no hydrogen 2.906 N/A MET 197.A N VAL 193.A O no hydrogen 2.797 N/A GLY 198.A N GLY 194.A O no hydrogen 2.879 N/A GLU 199.A N CYS 195.A O no hydrogen 3.139 N/A MET 200.A N ILE 196.A O no hydrogen 2.871 N/A VAL 201.A N MET 197.A O no hydrogen 3.149 N/A ARG 202.A N GLY 198.A O no hydrogen 2.957 N/A ARG 202.A NH1 GLN 222.A OE1 no hydrogen 3.078 N/A ARG 202.A NH2 GLN 222.A OE1 no hydrogen 3.435 N/A ARG 202.A NH2 LEU 256.A O no hydrogen 2.863 N/A HIS 203.A N GLU 199.A O no hydrogen 2.636 N/A HIS 203.A ND1 ILE 112.A O no hydrogen 2.820 N/A ARG 210.A N ASP 214.A OD2 no hydrogen 3.258 N/A GLN 215.A N ASP 211.A O no hydrogen 3.003 N/A GLN 215.A NE2 ARG 171.A O no hydrogen 2.757 N/A TRP 216.A N TYR 212.A O no hydrogen 2.780 N/A ASN 217.A N ILE 213.A O no hydrogen 2.989 N/A LYS 218.A N ASP 214.A O no hydrogen 2.998 N/A VAL 219.A N GLN 215.A O no hydrogen 3.009 N/A ILE 220.A N TRP 216.A O no hydrogen 3.105 N/A GLU 221.A N ASN 217.A O no hydrogen 3.186 N/A GLN 222.A NE2 LEU 206.A O no hydrogen 3.070 N/A GLN 222.A NE2 LYS 218.A O no hydrogen 3.470 N/A LEU 223.A N VAL 219.A O no hydrogen 2.854 N/A GLY 224.A N ILE 220.A O no hydrogen 2.540 N/A THR 225.A N TYR 248.A O no hydrogen 2.909 N/A THR 225.A OG1 TYR 248.A O no hydrogen 3.429 N/A CYS 227.A SG GLU 229.A OE1 no hydrogen 3.536 N/A CYS 227.A SG ASP 287.A OD2 no hydrogen 3.749 N/A MET 231.A N CYS 227.A O no hydrogen 3.280 N/A LYS 232.A N PRO 228.A O no hydrogen 2.866 N/A LYS 233.A N PHE 230.A O no hydrogen 2.857 N/A LYS 233.A NZ ASP 287.A OD1 no hydrogen 2.855 N/A LEU 234.A N MET 231.A O no hydrogen 3.035 N/A ARG 239.A N GLN 235.A O no hydrogen 2.778 N/A ARG 239.A NH1 GLU 243.A OE2 no hydrogen 3.319 N/A ASN 240.A N PRO 236.A O no hydrogen 2.929 N/A TYR 241.A N THR 237.A O no hydrogen 3.252 N/A VAL 242.A N VAL 238.A O no hydrogen 2.829 N/A GLU 243.A N ARG 239.A O no hydrogen 2.780 N/A ASN 244.A N ASN 240.A O no hydrogen 2.909 N/A ARG 245.A N VAL 242.A O no hydrogen 3.453 N/A TYR 248.A N THR 225.A OG1 no hydrogen 3.114 N/A LEU 251.A N GLN 222.A O no hydrogen 3.049 N/A LYS 255.A N THR 252.A O no hydrogen 3.261 N/A LEU 256.A N THR 252.A O no hydrogen 2.994 N/A PHE 257.A N PHE 253.A O no hydrogen 2.739 N/A LEU 261.A N PRO 258.A O no hydrogen 3.142 N/A PHE 262.A N ASP 259.A O no hydrogen 3.363 N/A SER 266.A N ASP 265.A OD1 no hydrogen 2.711 N/A ASN 269.A N SER 266.A OG no hydrogen 3.293 N/A ASN 269.A ND2 ASP 265.A OD1 no hydrogen 3.135 N/A LYS 270.A N SER 266.A O no hydrogen 2.903 N/A LEU 271.A N GLU 267.A O no hydrogen 3.082 N/A LYS 272.A N HIS 268.A O no hydrogen 3.083 N/A LYS 272.A NZ GLN 275.A OE1 no hydrogen 3.060 N/A ALA 273.A N ASN 269.A O no hydrogen 2.861 N/A SER 274.A N LYS 270.A O no hydrogen 3.240 N/A SER 274.A OG LEU 271.A O no hydrogen 2.955 N/A GLN 275.A N LEU 271.A O no hydrogen 3.030 N/A ALA 276.A N LYS 272.A O no hydrogen 2.753 N/A ARG 277.A N ALA 273.A O no hydrogen 2.985 N/A ARG 277.A NE PHE 257.A O no hydrogen 3.220 N/A ASP 278.A N SER 274.A O no hydrogen 2.888 N/A LEU 279.A N GLN 275.A O no hydrogen 3.113 N/A LEU 280.A N ALA 276.A O no hydrogen 2.997 N/A SER 281.A N ARG 277.A O no hydrogen 3.149 N/A SER 281.A OG ASP 278.A O no hydrogen 2.396 N/A LYS 282.A N ASP 278.A O no hydrogen 3.160 N/A LYS 282.A N LEU 279.A O no hydrogen 2.974 N/A LYS 282.A NZ ASP 278.A OD2 no hydrogen 3.067 N/A MET 283.A N LEU 280.A O no hydrogen 2.925 N/A LEU 284.A N LEU 280.A O no hydrogen 2.882 N/A ALA 289.A N ASP 287.A OD1 no hydrogen 3.074 N/A LYS 290.A N ASP 287.A O no hydrogen 2.905 N/A LYS 290.A NZ ASP 287.A OD2 no hydrogen 2.778 N/A ARG 291.A N PRO 288.A O no hydrogen 3.207 N/A ARG 291.A NE VAL 285.A O no hydrogen 2.802 N/A ARG 291.A NH1 GLU 177.A OE1 no hydrogen 3.484 N/A ARG 291.A NH1 GLU 177.A OE2 no hydrogen 2.742 N/A ARG 291.A NH1 ASN 187.A O no hydrogen 3.022 N/A ARG 291.A NH2 GLU 177.A OE1 no hydrogen 2.891 N/A ARG 291.A NH2 VAL 285.A O no hydrogen 3.144 N/A ARG 291.A NH2 ILE 286.A O no hydrogen 2.995 N/A ILE 292.A N LYS 282.A O no hydrogen 3.094 N/A ASP 296.A N SER 293.A OG no hydrogen 3.080 N/A ALA 297.A N SER 293.A O no hydrogen 3.033 N/A LEU 298.A N VAL 294.A O no hydrogen 3.032 N/A GLN 299.A N ASP 296.A O no hydrogen 3.254 N/A HIS 300.A N ALA 297.A O no hydrogen 3.356 N/A HIS 300.A NE2 GLN 275.A O no hydrogen 3.261 N/A TYR 302.A OH HIS 118.A ND1 no hydrogen 2.944 N/A ILE 303.A N HIS 300.A O no hydrogen 2.868 N/A ASN 304.A N HIS 300.A O no hydrogen 2.734 N/A TRP 306.A N ILE 303.A O no hydrogen 3.132 N/A TRP 306.A NE1 SER 122.A OG no hydrogen 3.164 N/A TYR 307.A N ASN 304.A O no hydrogen 3.070 N/A TYR 307.A OH GLU 313.A OE2 no hydrogen 3.270 N/A ALA 310.A N ASP 308.A OD1 no hydrogen 3.231 N/A GLU 311.A N ASP 308.A O no hydrogen 2.917 N/A VAL 312.A N ASP 308.A O no hydrogen 3.025 N/A GLU 313.A N PRO 309.A O no hydrogen 2.780 N/A ARG 320.A NH1 GLU 321.A O no hydrogen 3.346 N/A THR 323.A N GLU 326.A OE1 no hydrogen 2.957 N/A GLU 326.A N THR 323.A OG1 no hydrogen 3.221 N/A TRP 327.A N THR 323.A O no hydrogen 2.944 N/A LYS 328.A N ILE 324.A O no hydrogen 2.857 N/A GLU 329.A N GLU 325.A O no hydrogen 3.207 N/A LEU 330.A N GLU 326.A O no hydrogen 2.914 N/A ILE 331.A N TRP 327.A O no hydrogen 2.911 N/A TYR 332.A N LYS 328.A O no hydrogen 3.004 N/A LYS 333.A N GLU 329.A O no hydrogen 3.058 N/A GLU 334.A N LEU 330.A O no hydrogen 3.299 N/A GLU 334.A N ILE 331.A O no hydrogen 3.112 N/A VAL 335.A N ILE 331.A O no hydrogen 3.087 N/A MET 336.A N TYR 332.A O no hydrogen 3.085 N/A ASN 337.A ND2 GLU 334.A O no hydrogen 3.478 N/A