Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u78_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 SER 211.A O no hydrogen 3.403 N/A GLN 3.A NE2 SER 211.A OG no hydrogen 2.840 N/A ALA 4.A N SER 211.A O no hydrogen 2.900 N/A THR 6.A N GLN 3.A O no hydrogen 3.226 N/A THR 6.A OG1 GLN 3.A O no hydrogen 2.924 N/A PHE 9.A N THR 6.A OG1 no hydrogen 3.404 N/A ILE 10.A N THR 6.A O no hydrogen 2.919 N/A LYS 11.A N ARG 7.A O no hydrogen 3.012 N/A GLU 12.A N THR 8.A O no hydrogen 3.228 N/A LEU 13.A N PHE 9.A O no hydrogen 2.968 N/A ARG 14.A N ILE 10.A O no hydrogen 2.913 N/A ARG 14.A NE ASP 163.A OD1 no hydrogen 3.391 N/A ARG 14.A NH2 ASP 163.A OD1 no hydrogen 3.052 N/A ARG 14.A NH2 SER 246.A O no hydrogen 3.040 N/A SER 15.A N GLU 12.A O no hydrogen 2.905 N/A SER 15.A OG LYS 11.A O no hydrogen 2.681 N/A ARG 16.A N GLU 12.A O no hydrogen 3.008 N/A ARG 16.A NH1 ASP 217.A OD2 no hydrogen 3.339 N/A ALA 21.A N LYS 224.A O no hydrogen 2.751 N/A ASP 22.A N SER 20.A OG no hydrogen 2.903 N/A GLU 23.A N SER 20.A O no hydrogen 3.091 N/A ILE 24.A N ALA 21.A O no hydrogen 3.154 N/A ILE 25.A N ALA 21.A O no hydrogen 3.004 N/A ILE 26.A N PRO 46.A O no hydrogen 3.201 N/A MET 28.A N MET 48.A O no hydrogen 3.005 N/A GLN 32.A N HIS 29.A O no hydrogen 2.982 N/A LEU 33.A N GLY 30.A O no hydrogen 3.187 N/A TYR 37.A N THR 34.A OG1 no hydrogen 3.088 N/A LEU 38.A N THR 34.A O no hydrogen 3.156 N/A GLU 39.A N GLN 35.A O no hydrogen 2.967 N/A LYS 40.A N ARG 36.A O no hydrogen 3.326 N/A LYS 40.A N TYR 37.A O no hydrogen 2.863 N/A HIS 41.A N TYR 37.A O no hydrogen 2.905 N/A ILE 47.A N PHE 234.A O no hydrogen 2.887 N/A MET 48.A N ILE 26.A O no hydrogen 2.882 N/A VAL 49.A N THR 232.A O no hydrogen 2.976 N/A LEU 55.A N LEU 52.A O no hydrogen 3.444 N/A ARG 58.A N GLU 127.A O no hydrogen 2.924 N/A ARG 58.A NH2 GLU 124.A O no hydrogen 2.679 N/A SER 61.A OG THR 63.A OG1 no hydrogen 3.157 N/A THR 63.A OG1 SER 61.A OG no hydrogen 3.157 N/A PHE 64.A N SER 61.A O no hydrogen 3.034 N/A SER 65.A N ASP 68.A OD1 no hydrogen 3.264 N/A SER 65.A OG ASP 68.A OD1 no hydrogen 3.284 N/A ASP 68.A N SER 65.A OG no hydrogen 3.336 N/A VAL 69.A N SER 65.A O no hydrogen 3.164 N/A GLU 70.A N VAL 66.A O no hydrogen 3.132 N/A ARG 71.A N MET 67.A O no hydrogen 3.097 N/A ARG 71.A NH1 ASP 68.A OD2 no hydrogen 3.534 N/A TYR 72.A N ASP 68.A O no hydrogen 3.118 N/A VAL 73.A N VAL 69.A O no hydrogen 2.896 N/A GLY 74.A N GLU 70.A O no hydrogen 2.834 N/A LYS 77.A N GLY 74.A O no hydrogen 2.874 N/A ILE 79.A N MET 92.A O no hydrogen 2.881 N/A VAL 81.A N SER 90.A O no hydrogen 3.000 N/A ILE 82.A N ASN 111.A O no hydrogen 2.797 N/A ASP 83.A N ALA 88.A O no hydrogen 3.152 N/A VAL 84.A N VAL 109.A O no hydrogen 3.019 N/A ARG 86.A N ASP 83.A O no hydrogen 3.041 N/A ARG 86.A N ASP 83.A OD2 no hydrogen 3.421 N/A ARG 86.A NH1 ASP 83.A OD1 no hydrogen 3.452 N/A GLN 87.A N VAL 84.A O no hydrogen 3.257 N/A GLN 87.A NE2 VAL 84.A O no hydrogen 3.045 N/A GLN 87.A NE2 TYR 165.A O no hydrogen 3.334 N/A SER 90.A N VAL 81.A O no hydrogen 2.825 N/A LYS 91.A NZ ASP 80.A OD2 no hydrogen 2.966 N/A MET 92.A N ILE 79.A O no hydrogen 3.380 N/A LEU 94.A N LYS 77.A O no hydrogen 2.779 N/A HIS 95.A N GLY 75.A O no hydrogen 2.897 N/A HIS 95.A ND1 GLU 70.A OE2 no hydrogen 2.587 N/A ASN 96.A N THR 93.A OG1 no hydrogen 2.694 N/A TYR 97.A N THR 93.A O no hydrogen 3.054 N/A TYR 97.A OH LEU 110.A O no hydrogen 2.733 N/A VAL 98.A N LEU 94.A O no hydrogen 3.049 N/A LYS 99.A N HIS 95.A O no hydrogen 3.073 N/A TYR 100.A N ASN 96.A O no hydrogen 2.723 N/A TYR 100.A OH LYS 108.A O no hydrogen 2.484 N/A PHE 101.A N TYR 97.A O no hydrogen 2.721 N/A MET 102.A N VAL 98.A O no hydrogen 2.697 N/A ASN 103.A N LYS 99.A O no hydrogen 3.100 N/A ARG 106.A NH1 ASP 248.A OD1 no hydrogen 3.307 N/A ARG 106.A NH1 ASP 248.A OD2 no hydrogen 3.295 N/A ARG 106.A NH2 PHE 101.A O no hydrogen 3.247 N/A ARG 106.A NH2 ASP 248.A OD1 no hydrogen 2.948 N/A LYS 108.A NZ ASP 83.A OD1 no hydrogen 2.918 N/A LEU 110.A N TYR 100.A OH no hydrogen 2.826 N/A ASN 111.A N ILE 82.A O no hydrogen 3.007 N/A VAL 112.A N MET 159.A O no hydrogen 2.840 N/A PHE 117.A N LYS 155.A O no hydrogen 3.099 N/A SER 118.A N GLU 116.A OE2 no hydrogen 2.845 N/A SER 118.A OG GLU 116.A OE1 no hydrogen 2.669 N/A SER 118.A OG GLU 116.A OE2 no hydrogen 3.262 N/A ASP 119.A N ASP 119.A OD2 no hydrogen 2.509 N/A THR 120.A OG1 PHE 117.A O no hydrogen 2.611 N/A MET 122.A N THR 120.A OG1 no hydrogen 3.133 N/A SER 123.A N THR 120.A O no hydrogen 3.129 N/A LEU 125.A N MET 122.A O no hydrogen 2.906 N/A VAL 126.A N SER 123.A O no hydrogen 3.083 N/A GLU 127.A N ARG 58.A O no hydrogen 2.823 N/A ASP 130.A N LEU 55.A O no hydrogen 2.801 N/A LYS 133.A N PRO 129.A O no hydrogen 3.281 N/A LYS 134.A N ASP 130.A O no hydrogen 2.816 N/A LYS 134.A N ILE 131.A O no hydrogen 3.156 N/A LEU 135.A N ILE 131.A O no hydrogen 3.069 N/A SER 136.A N ALA 132.A O no hydrogen 3.085 N/A TRP 137.A N LEU 257.A O no hydrogen 2.819 N/A TRP 137.A NE1 ASN 259.A OD1 no hydrogen 2.783 N/A GLU 139.A N SER 136.A OG no hydrogen 3.093 N/A ASN 140.A N SER 136.A O no hydrogen 3.010 N/A ASN 140.A ND2 LYS 134.A O no hydrogen 2.720 N/A TYR 141.A N TRP 137.A O no hydrogen 2.868 N/A LYS 150.A NZ VAL 138.A O no hydrogen 3.513 N/A GLN 154.A NE2 PRO 151.A O no hydrogen 2.955 N/A LYS 155.A N GLU 116.A OE1 no hydrogen 3.194 N/A LYS 155.A NZ SER 123.A O no hydrogen 2.993 N/A LYS 155.A NZ SER 123.A OG no hydrogen 3.006 N/A LYS 155.A NZ VAL 126.A O no hydrogen 2.614 N/A TYR 156.A N GLY 253.A O no hydrogen 2.838 N/A CYS 157.A N LEU 115.A O no hydrogen 2.944 N/A LEU 158.A N ALA 251.A O no hydrogen 2.934 N/A MET 159.A N VAL 112.A O no hydrogen 3.008 N/A GLY 160.A N CYS 249.A O no hydrogen 3.027 N/A GLN 162.A N ASP 248.A OD2 no hydrogen 2.850 N/A GLN 162.A NE2 SER 246.A O no hydrogen 3.057 N/A ASP 163.A N THR 245.A O no hydrogen 2.610 N/A SER 164.A N VAL 161.A O no hydrogen 2.954 N/A SER 164.A OG VAL 161.A O no hydrogen 2.677 N/A TYR 165.A OH ASP 167.A OD1 no hydrogen 2.655 N/A THR 166.A N VAL 243.A O no hydrogen 2.896 N/A PHE 168.A N ASP 167.A OD1 no hydrogen 3.015 N/A HIS 169.A N HIS 241.A O no hydrogen 3.236 N/A HIS 169.A ND1 ASP 167.A O no hydrogen 2.688 N/A ILE 170.A N TYR 201.A OH no hydrogen 3.213 N/A GLY 173.A N GLU 272.A OE1 no hydrogen 2.914 N/A GLY 174.A N ASP 171.A O no hydrogen 2.921 N/A THR 175.A N PHE 172.A O no hydrogen 3.198 N/A THR 175.A OG1 PHE 172.A O no hydrogen 2.815 N/A SER 176.A N PHE 256.A O no hydrogen 3.010 N/A VAL 177.A N VAL 235.A O no hydrogen 2.816 N/A TRP 178.A N GLY 254.A O no hydrogen 3.175 N/A TYR 179.A N LEU 233.A O no hydrogen 2.745 N/A HIS 180.A N PHE 252.A O no hydrogen 2.714 N/A HIS 180.A ND1 THR 232.A OG1 no hydrogen 2.758 N/A LEU 182.A N MET 250.A O no hydrogen 2.729 N/A TRP 183.A N MET 250.A O no hydrogen 3.449 N/A TRP 183.A NE1 PHE 64.A O no hydrogen 2.949 N/A LYS 186.A N VAL 227.A O no hydrogen 3.253 N/A ILE 187.A N LEU 244.A O no hydrogen 2.844 N/A PHE 188.A N CYS 225.A O no hydrogen 2.707 N/A TYR 189.A N ALA 242.A O no hydrogen 2.931 N/A LEU 190.A N TYR 223.A O no hydrogen 2.720 N/A ILE 191.A N ILE 240.A O no hydrogen 2.708 N/A ASN 197.A N THR 194.A OG1 no hydrogen 3.004 N/A ASN 197.A ND2 LYS 192.A O no hydrogen 3.032 N/A LEU 198.A N THR 194.A O no hydrogen 3.037 N/A ALA 199.A N ASP 195.A O no hydrogen 3.038 N/A ARG 200.A N GLU 196.A O no hydrogen 2.980 N/A ARG 200.A NH1 LYS 218.A O no hydrogen 2.768 N/A TYR 201.A N ASN 197.A O no hydrogen 2.775 N/A TYR 201.A N LEU 198.A O no hydrogen 2.732 N/A GLU 202.A N LEU 198.A O no hydrogen 2.886 N/A SER 203.A N ALA 199.A O no hydrogen 3.034 N/A TRP 204.A N ARG 200.A O no hydrogen 3.028 N/A TRP 204.A NE1 VAL 213.A O no hydrogen 2.956 N/A SER 205.A N TYR 201.A O no hydrogen 2.824 N/A SER 206.A N GLU 202.A O no hydrogen 3.317 N/A SER 206.A N SER 203.A O no hydrogen 3.110 N/A SER 206.A OG GLU 202.A O no hydrogen 2.891 N/A SER 206.A OG SER 203.A O no hydrogen 3.468 N/A SER 207.A N TRP 204.A O no hydrogen 3.311 N/A SER 207.A OG TRP 204.A O no hydrogen 2.923 N/A GLN 210.A N SER 207.A O no hydrogen 3.307 N/A GLU 212.A N THR 209.A O no hydrogen 2.841 N/A VAL 213.A N GLN 210.A O no hydrogen 3.438 N/A ASP 217.A N PHE 214.A O no hydrogen 2.946 N/A LYS 218.A N PHE 215.A O no hydrogen 3.061 N/A TYR 223.A N LEU 190.A O no hydrogen 2.758 N/A LYS 224.A N PRO 19.A O no hydrogen 3.012 N/A CYS 225.A N PHE 188.A O no hydrogen 2.807 N/A VAL 227.A N LYS 186.A O no hydrogen 2.804 N/A GLN 229.A NE2 LEU 182.A O no hydrogen 3.250 N/A GLY 230.A N VAL 181.A O no hydrogen 2.807 N/A HIS 231.A N LYS 228.A O no hydrogen 3.021 N/A THR 232.A N VAL 49.A O no hydrogen 2.963 N/A THR 232.A OG1 HIS 180.A ND1 no hydrogen 2.758 N/A LEU 233.A N TYR 179.A O no hydrogen 2.814 N/A PHE 234.A N ILE 47.A O no hydrogen 2.889 N/A VAL 235.A N VAL 177.A O no hydrogen 2.879 N/A TRP 239.A NE1 ASP 44.A O no hydrogen 3.162 N/A ILE 240.A N ILE 191.A O no hydrogen 3.143 N/A HIS 241.A N HIS 169.A O no hydrogen 3.220 N/A HIS 241.A ND1 TRP 239.A O no hydrogen 2.796 N/A ALA 242.A N TYR 189.A O no hydrogen 2.953 N/A VAL 243.A N THR 166.A O no hydrogen 2.982 N/A LEU 244.A N ILE 187.A O no hydrogen 2.910 N/A THR 245.A N SER 164.A O no hydrogen 2.762 N/A THR 245.A OG1 SER 164.A O no hydrogen 3.520 N/A SER 246.A N GLU 185.A O no hydrogen 3.183 N/A SER 246.A OG GLU 185.A O no hydrogen 3.246 N/A SER 246.A OG GLU 185.A OE1 no hydrogen 2.938 N/A CYS 249.A N GLY 160.A O no hydrogen 2.938 N/A CYS 249.A SG TRP 183.A O no hydrogen 3.248 N/A MET 250.A N TRP 183.A O no hydrogen 3.128 N/A ALA 251.A N LEU 158.A O no hydrogen 2.806 N/A PHE 252.A N HIS 180.A O no hydrogen 2.731 N/A GLY 253.A N TYR 156.A O no hydrogen 3.198 N/A GLY 254.A N TRP 178.A O no hydrogen 3.365 N/A ASN 255.A N VAL 153.A O no hydrogen 2.913 N/A ASN 255.A ND2 THR 175.A OG1 no hydrogen 3.053 N/A PHE 256.A N SER 176.A O no hydrogen 3.140 N/A HIS 258.A N GLN 265.A OE1 no hydrogen 3.106 N/A ASN 259.A ND2 TYR 141.A OH no hydrogen 2.722 N/A ASN 261.A ND2 PHE 43.A O no hydrogen 3.105 N/A ASN 261.A ND2 THR 237.A OG1 no hydrogen 3.264 N/A GLN 265.A N ASN 261.A O no hydrogen 2.997 N/A GLN 265.A NE2 HIS 258.A O no hydrogen 3.338 N/A LEU 266.A N ILE 262.A O no hydrogen 3.002 N/A ARG 267.A N GLY 263.A O no hydrogen 2.986 N/A ARG 267.A NH2 ASP 195.A OD2 no hydrogen 2.753 N/A CYS 268.A N MET 264.A O no hydrogen 3.062 N/A CYS 268.A SG MET 264.A O no hydrogen 3.314 N/A TYR 269.A N GLN 265.A O no hydrogen 3.011 N/A TYR 269.A OH GLU 287.A OE2 no hydrogen 2.547 N/A GLU 270.A N LEU 266.A O no hydrogen 2.854 N/A MET 271.A N ARG 267.A O no hydrogen 2.968 N/A GLU 272.A N CYS 268.A O no hydrogen 2.947 N/A LYS 273.A N TYR 269.A O no hydrogen 2.880 N/A ARG 274.A N GLU 270.A O no hydrogen 3.270 N/A ARG 274.A NE GLU 202.A OE1 no hydrogen 2.731 N/A ARG 274.A NH2 GLU 202.A OE2 no hydrogen 3.246 N/A LEU 275.A N MET 271.A O no hydrogen 2.979 N/A LYS 276.A N LYS 273.A O no hydrogen 2.932 N/A THR 277.A N GLU 272.A O no hydrogen 3.112 N/A THR 277.A OG1 GLU 272.A O no hydrogen 3.383 N/A LEU 280.A N THR 277.A O no hydrogen 3.279 N/A PHE 281.A N PRO 278.A O no hydrogen 2.904 N/A LYS 282.A N ASP 279.A O no hydrogen 2.906 N/A PHE 286.A N PHE 283.A O no hydrogen 3.346 N/A ILE 289.A N PHE 285.A O no hydrogen 3.285 N/A CYS 290.A N PHE 286.A O no hydrogen 3.124 N/A CYS 290.A SG PHE 286.A O no hydrogen 3.599 N/A TRP 291.A N GLU 287.A O no hydrogen 3.090 N/A PHE 292.A N ALA 288.A O no hydrogen 3.095 N/A VAL 293.A N ILE 289.A O no hydrogen 2.772 N/A ALA 294.A N CYS 290.A O no hydrogen 3.050 N/A LYS 295.A N TRP 291.A O no hydrogen 3.143 N/A ASN 296.A N PHE 292.A O no hydrogen 3.307 N/A ASN 296.A ND2 PHE 292.A O no hydrogen 2.683 N/A LEU 297.A N VAL 293.A O no hydrogen 2.808 N/A LEU 298.A N ALA 294.A O no hydrogen 2.890 N/A GLU 299.A N LYS 295.A O no hydrogen 2.992 N/A THR 300.A N ASN 296.A O no hydrogen 3.168 N/A THR 300.A OG1 ASN 296.A O no hydrogen 3.533 N/A LEU 301.A N LEU 297.A O no hydrogen 3.147 N/A LYS 302.A N LEU 298.A O no hydrogen 2.850 N/A GLU 303.A N GLU 299.A O no hydrogen 3.060 N/A LEU 304.A N THR 300.A O no hydrogen 3.043 N/A ARG 305.A N LEU 301.A O no hydrogen 2.978 N/A GLU 306.A N LYS 302.A O no hydrogen 2.992 N/A ASP 307.A N LEU 304.A O no hydrogen 3.268 N/A GLY 308.A N ARG 305.A O no hydrogen 3.128 N/A PHE 309.A N LEU 304.A O no hydrogen 3.036 N/A GLN 312.A NE2 GLU 39.A O no hydrogen 3.428 N/A TYR 314.A OH GLU 39.A OE1 no hydrogen 3.419 N/A LEU 315.A N GLN 312.A O no hydrogen 3.261 N/A VAL 316.A N GLN 312.A O no hydrogen 3.396 N/A GLN 317.A N THR 313.A O no hydrogen 2.974 N/A GLY 318.A N TYR 314.A O no hydrogen 3.020 N/A VAL 319.A N LEU 315.A O no hydrogen 3.003 N/A LYS 320.A N VAL 316.A O no hydrogen 2.917 N/A LYS 320.A NZ GLU 363.A OE2 no hydrogen 2.837 N/A ALA 321.A N GLN 317.A O no hydrogen 2.953 N/A LEU 322.A N GLY 318.A O no hydrogen 2.836 N/A HIS 323.A N VAL 319.A O no hydrogen 2.846 N/A THR 324.A N LYS 320.A O no hydrogen 3.019 N/A THR 324.A OG1 LYS 320.A O no hydrogen 3.059 N/A ALA 325.A N ALA 321.A O no hydrogen 3.186 N/A LEU 326.A N LEU 322.A O no hydrogen 2.763 N/A LYS 327.A N HIS 323.A O no hydrogen 2.962 N/A LEU 328.A N THR 324.A O no hydrogen 3.090 N/A TRP 329.A N ALA 325.A O no hydrogen 3.037 N/A MET 330.A N LYS 327.A O no hydrogen 3.177 N/A LYS 331.A N LYS 327.A O no hydrogen 3.318 N/A LYS 331.A N LEU 328.A O no hydrogen 3.175 N/A LEU 334.A N LYS 331.A O no hydrogen 2.932 N/A VAL 335.A N LYS 331.A O no hydrogen 2.775 N/A GLU 337.A N LEU 334.A O no hydrogen 3.300 N/A HIS 338.A N VAL 335.A O no hydrogen 3.325 N/A HIS 338.A ND1 GLU 287.A OE1 no hydrogen 2.996 N/A ALA 339.A N VAL 335.A O no hydrogen 3.127 N/A GLU 341.A N HIS 338.A O no hydrogen 3.012 N/A ILE 342.A N ALA 339.A O no hydrogen 3.241 N/A LEU 351.A N ARG 347.A O no hydrogen 2.867 N/A ILE 352.A N PRO 348.A O no hydrogen 3.073 N/A LYS 353.A N GLY 349.A O no hydrogen 3.303 N/A GLU 354.A N HIS 350.A O no hydrogen 2.889 N/A LEU 355.A N LEU 351.A O no hydrogen 2.878 N/A SER 356.A N ILE 352.A O no hydrogen 2.957 N/A LYS 357.A N LYS 353.A O no hydrogen 2.785 N/A VAL 358.A N GLU 354.A O no hydrogen 3.098 N/A ILE 359.A N LEU 355.A O no hydrogen 2.911 N/A ARG 360.A N SER 356.A O no hydrogen 3.104 N/A