Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ub7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 123.A OE2 no hydrogen 2.836 N/A SER 1.A OG HIS 119.A ND1 no hydrogen 2.819 N/A GLY 2.A N GLY 163.A O no hydrogen 2.738 N/A LEU 4.A N VAL 161.A O no hydrogen 2.824 N/A GLY 7.A N ALA 159.A O no hydrogen 3.038 N/A ALA 8.A N ASP 59.A OD2 no hydrogen 2.837 N/A TYR 9.A N GLY 157.A O no hydrogen 2.734 N/A TYR 9.A OH GLU 47.A OE2 no hydrogen 2.639 N/A MET 15.A N ARG 40.A O no hydrogen 2.883 N/A THR 16.A N ASP 19.A OD2 no hydrogen 2.756 N/A THR 16.A OG1 ASP 19.A OD2 no hydrogen 2.686 N/A ASN 17.A N LYS 38.A O no hydrogen 3.215 N/A ASN 17.A ND2 ASP 28.A OD1 no hydrogen 2.503 N/A ASN 17.A ND2 ILE 37.A O no hydrogen 2.897 N/A ASP 19.A N THR 16.A OG1 no hydrogen 3.208 N/A PHE 20.A N ASN 17.A O no hydrogen 2.833 N/A GLU 21.A N ASN 17.A O no hydrogen 2.892 N/A ALA 22.A N ALA 18.A O no hydrogen 2.946 N/A TYR 23.A N PHE 20.A O no hydrogen 3.415 N/A TYR 23.A OH TRP 144.A O no hydrogen 2.883 N/A LEU 24.A N PHE 20.A O no hydrogen 2.995 N/A THR 26.A OG1 SER 27.A O no hydrogen 3.451 N/A ASP 28.A N GLU 21.A OE2 no hydrogen 2.659 N/A TRP 30.A N SER 27.A OG no hydrogen 2.778 N/A ILE 31.A N SER 27.A O no hydrogen 3.408 N/A VAL 32.A N ASP 28.A O no hydrogen 2.710 N/A THR 33.A N GLU 29.A O no hydrogen 2.937 N/A THR 33.A OG1 GLU 29.A O no hydrogen 2.661 N/A ARG 34.A N TRP 30.A O no hydrogen 3.008 N/A THR 35.A N ILE 31.A O no hydrogen 2.891 N/A THR 35.A OG1 ILE 31.A O no hydrogen 2.777 N/A GLY 36.A N ILE 31.A O no hydrogen 3.205 N/A ILE 37.A N THR 35.A OG1 no hydrogen 3.104 N/A LYS 38.A N ASP 270.A O no hydrogen 2.940 N/A GLU 39.A N ASP 270.A O no hydrogen 2.981 N/A ARG 40.A N MET 15.A O no hydrogen 3.314 N/A ARG 40.A NE MET 15.A O no hydrogen 2.950 N/A ARG 40.A NH2 MET 15.A O no hydrogen 3.245 N/A ARG 40.A NH2 ASN 17.A OD1 no hydrogen 2.762 N/A ARG 41.A NH1 PRO 11.A O no hydrogen 2.886 N/A VAL 42.A N ARG 13.A O no hydrogen 2.820 N/A ALA 43.A N ASP 155.A OD2 no hydrogen 2.732 N/A ALA 44.A N GLU 47.A OE1 no hydrogen 2.726 N/A GLU 47.A N ALA 44.A O no hydrogen 2.966 N/A TYR 48.A N ASP 51.A OD2 no hydrogen 2.526 N/A THR 49.A OG1 THR 80.A O no hydrogen 2.737 N/A THR 49.A OG1 THR 80.A OG1 no hydrogen 2.970 N/A SER 50.A N ASP 82.A OD1 no hydrogen 3.123 N/A SER 50.A OG ASP 82.A OD2 no hydrogen 2.470 N/A LEU 52.A N TYR 48.A O no hydrogen 2.958 N/A ALA 53.A N THR 49.A O no hydrogen 2.861 N/A PHE 54.A N SER 50.A O no hydrogen 2.701 N/A LYS 55.A N ASP 51.A O no hydrogen 2.842 N/A LYS 55.A NZ GLU 47.A OE2 no hydrogen 3.071 N/A ALA 56.A N LEU 52.A O no hydrogen 2.950 N/A VAL 57.A N ALA 53.A O no hydrogen 3.077 N/A GLU 58.A N PHE 54.A O no hydrogen 2.923 N/A ASP 59.A N LYS 55.A O no hydrogen 3.118 N/A LEU 60.A N ALA 56.A O no hydrogen 3.087 N/A LEU 61.A N VAL 57.A O no hydrogen 2.827 N/A ARG 62.A N GLU 58.A O no hydrogen 2.804 N/A ARG 63.A N ASP 59.A O no hydrogen 3.008 N/A ARG 63.A NE LEU 6.A O no hydrogen 2.968 N/A ARG 63.A NH1 ASP 289.A OD1 no hydrogen 3.474 N/A ARG 63.A NH1 ASP 289.A OD2 no hydrogen 3.046 N/A ARG 63.A NH2 ASP 289.A OD1 no hydrogen 2.989 N/A HIS 64.A N LEU 60.A O no hydrogen 2.738 N/A ALA 67.A N HIS 64.A O no hydrogen 3.165 N/A GLU 69.A N GLY 66.A O no hydrogen 3.243 N/A VAL 71.A N LEU 68.A O no hydrogen 3.115 N/A ASP 72.A N LYS 129.A O no hydrogen 3.046 N/A VAL 74.A N PHE 101.A O no hydrogen 2.936 N/A ILE 75.A N LEU 131.A O no hydrogen 2.943 N/A VAL 76.A N TYR 103.A O no hydrogen 3.067 N/A ALA 77.A N VAL 133.A O no hydrogen 2.568 N/A THR 78.A N LEU 105.A O no hydrogen 3.262 N/A THR 78.A OG1 ALA 135.A O no hydrogen 2.578 N/A THR 78.A OG1 GLU 136.A OE1 no hydrogen 3.347 N/A ASN 79.A N GLU 136.A OE1 no hydrogen 3.081 N/A ASN 79.A ND2 GLU 136.A OE2 no hydrogen 2.946 N/A THR 80.A N THR 78.A OG1 no hydrogen 3.109 N/A THR 80.A OG1 THR 49.A OG1 no hydrogen 2.970 N/A THR 80.A OG1 GLU 136.A OE1 no hydrogen 2.831 N/A THR 88.A N ASP 104.A OD2 no hydrogen 2.775 N/A THR 88.A OG1 ASP 104.A OD2 no hydrogen 3.325 N/A ALA 89.A N ASP 104.A OD1 no hydrogen 2.876 N/A ALA 90.A N ASP 87.A OD2 no hydrogen 2.864 N/A LEU 91.A N ASP 87.A O no hydrogen 3.444 N/A VAL 92.A N THR 88.A O no hydrogen 3.038 N/A GLN 93.A N ALA 89.A O no hydrogen 2.869 N/A GLN 93.A NE2 LEU 98.A O no hydrogen 2.667 N/A ALA 94.A N ALA 90.A O no hydrogen 3.034 N/A ARG 95.A N LEU 91.A O no hydrogen 2.999 N/A ARG 95.A NH1 ARG 95.A O no hydrogen 2.823 N/A ARG 95.A NH2 GLU 58.A OE2 no hydrogen 3.061 N/A PHE 96.A N VAL 92.A O no hydrogen 3.171 N/A GLY 97.A N ALA 94.A O no hydrogen 2.683 N/A LEU 98.A N GLN 93.A O no hydrogen 2.985 N/A PHE 101.A N ASP 72.A O no hydrogen 3.009 N/A TYR 103.A N VAL 74.A O no hydrogen 3.093 N/A LEU 105.A N VAL 76.A O no hydrogen 2.888 N/A GLY 108.A N ASN 79.A OD1 no hydrogen 3.002 N/A GLY 110.A N GLY 108.A O no hydrogen 2.843 N/A TRP 111.A NE1 ALA 132.A O no hydrogen 3.211 N/A TYR 113.A N PRO 109.A O no hydrogen 3.052 N/A TYR 113.A OH GLY 177.A O no hydrogen 2.884 N/A ALA 114.A N GLY 110.A O no hydrogen 2.782 N/A LEU 115.A N TRP 111.A O no hydrogen 2.887 N/A ALA 116.A N ILE 112.A O no hydrogen 2.976 N/A GLN 117.A N TYR 113.A O no hydrogen 2.890 N/A GLN 117.A NE2 GLN 117.A O no hydrogen 3.182 N/A ALA 118.A N ALA 114.A O no hydrogen 2.748 N/A HIS 119.A N LEU 115.A O no hydrogen 2.805 N/A HIS 119.A ND1 SER 1.A OG no hydrogen 2.819 N/A ALA 120.A N ALA 116.A O no hydrogen 2.960 N/A LEU 121.A N GLN 117.A O no hydrogen 2.982 N/A VAL 122.A N ALA 118.A O no hydrogen 2.927 N/A GLU 123.A N HIS 119.A O no hydrogen 2.818 N/A ALA 124.A N ALA 120.A O no hydrogen 2.739 N/A GLY 125.A N VAL 122.A O no hydrogen 3.061 N/A LEU 126.A N LEU 121.A O no hydrogen 2.789 N/A ALA 127.A N LEU 121.A O no hydrogen 3.256 N/A GLN 128.A N ASP 72.A OD2 no hydrogen 2.809 N/A LYS 129.A NZ GLU 69.A O no hydrogen 2.903 N/A VAL 130.A N VAL 162.A O no hydrogen 2.839 N/A LEU 131.A N ALA 73.A O no hydrogen 2.690 N/A ALA 132.A N ALA 160.A O no hydrogen 2.858 N/A VAL 133.A N ILE 75.A O no hydrogen 2.813 N/A GLY 134.A N GLY 158.A O no hydrogen 2.871 N/A ALA 135.A N ALA 77.A O no hydrogen 3.072 N/A GLU 136.A N GLY 156.A O no hydrogen 3.013 N/A ALA 137.A N THR 80.A OG1 no hydrogen 2.921 N/A SER 139.A N ASP 155.A OD1 no hydrogen 2.983 N/A SER 139.A OG ASP 155.A OD1 no hydrogen 3.417 N/A SER 139.A OG ASP 155.A OD2 no hydrogen 2.619 N/A LYS 140.A N ALA 137.A O no hydrogen 3.096 N/A LYS 140.A NZ ALA 44.A O no hydrogen 3.282 N/A LYS 140.A NZ GLU 47.A O no hydrogen 3.002 N/A ILE 141.A N LEU 138.A O no hydrogen 2.962 N/A ASP 146.A N ASP 143.A O no hydrogen 2.946 N/A THR 149.A N ASP 146.A OD1 no hydrogen 3.345 N/A THR 149.A OG1 ASP 143.A O no hydrogen 3.549 N/A THR 149.A OG1 ASP 146.A O no hydrogen 3.166 N/A ALA 150.A N ASP 146.A O no hydrogen 3.103 N/A ALA 150.A N THR 149.A OG1 no hydrogen 2.643 N/A LEU 152.A N THR 149.A O no hydrogen 2.476 N/A GLY 154.A N ASN 274.A O no hydrogen 3.012 N/A ASP 155.A N ARG 41.A O no hydrogen 3.073 N/A GLY 156.A N GLU 136.A O no hydrogen 3.106 N/A GLY 157.A N TYR 9.A O no hydrogen 2.963 N/A GLY 158.A N GLY 134.A O no hydrogen 2.740 N/A ALA 159.A N GLY 7.A O no hydrogen 2.866 N/A ALA 160.A N ALA 132.A O no hydrogen 3.034 N/A VAL 161.A N ALA 5.A O no hydrogen 2.960 N/A VAL 162.A N VAL 130.A O no hydrogen 2.729 N/A GLY 163.A N GLY 2.A O no hydrogen 2.883 N/A ARG 166.A N GLY 319.A O no hydrogen 2.853 N/A ARG 166.A NH2 GLU 295.A OE1 no hydrogen 3.474 N/A ARG 166.A NH2 GLU 295.A OE2 no hydrogen 3.090 N/A TYR 169.A N ARG 166.A O no hydrogen 2.968 N/A GLY 170.A N THR 316.A O no hydrogen 2.887 N/A PHE 171.A N SER 1.A O no hydrogen 2.695 N/A ARG 172.A N VAL 314.A O no hydrogen 2.728 N/A SER 173.A N VAL 314.A O no hydrogen 3.412 N/A SER 173.A OG ALA 227.A O no hydrogen 2.924 N/A VAL 175.A N ALA 312.A O no hydrogen 2.776 N/A GLY 177.A N TRP 310.A O no hydrogen 2.882 N/A ASP 179.A N LEU 308.A O no hydrogen 2.624 N/A THR 181.A N ASP 179.A OD1 no hydrogen 3.161 N/A THR 181.A OG1 ASP 179.A OD1 no hydrogen 2.303 N/A GLY 182.A N ASP 179.A O no hydrogen 3.276 N/A LYS 184.A NZ GLU 185.A OE2 no hydrogen 3.248 N/A TYR 187.A N TYR 206.A O no hydrogen 3.217 N/A HIS 188.A ND1 ALA 189.A O no hydrogen 2.700 N/A LEU 195.A N THR 199.A O no hydrogen 2.857 N/A GLY 198.A N LEU 195.A O no hydrogen 2.794 N/A THR 199.A N ASP 197.A OD1 no hydrogen 2.649 N/A THR 199.A OG1 ASP 197.A OD1 no hydrogen 2.533 N/A SER 200.A OG PRO 193.A O no hydrogen 3.344 N/A MET 201.A N PRO 193.A O no hydrogen 2.622 N/A LYS 202.A NZ ASN 203.A OD1 no hydrogen 2.660 N/A TYR 206.A N TYR 187.A O no hydrogen 3.012 N/A ASN 208.A N GLU 185.A O no hydrogen 2.860 N/A GLU 211.A N ASN 208.A O no hydrogen 3.242 N/A GLU 211.A N ASN 208.A OD1 no hydrogen 3.469 N/A VAL 212.A N ASN 208.A O no hydrogen 3.097 N/A PHE 213.A N GLY 209.A O no hydrogen 2.767 N/A LYS 214.A N ARG 210.A O no hydrogen 3.318 N/A LYS 214.A NZ GLU 211.A OE1 no hydrogen 3.336 N/A LYS 214.A NZ GLU 211.A OE2 no hydrogen 3.408 N/A PHE 215.A N GLU 211.A O no hydrogen 2.851 N/A ALA 216.A N VAL 212.A O no hydrogen 2.948 N/A VAL 217.A N PHE 213.A O no hydrogen 3.180 N/A ARG 218.A N LYS 214.A O no hydrogen 3.397 N/A VAL 219.A N PHE 215.A O no hydrogen 2.756 N/A MET 220.A N ALA 216.A O no hydrogen 2.621 N/A ASN 221.A N VAL 217.A O no hydrogen 3.346 N/A ASN 221.A ND2 ALA 254.A O no hydrogen 3.520 N/A THR 222.A N ARG 218.A O no hydrogen 3.056 N/A THR 222.A OG1 ARG 218.A O no hydrogen 3.097 N/A ALA 223.A N VAL 219.A O no hydrogen 2.928 N/A THR 224.A N MET 220.A O no hydrogen 3.150 N/A THR 224.A OG1 MET 220.A O no hydrogen 2.254 N/A LEU 225.A N ASN 221.A O no hydrogen 3.131 N/A GLU 226.A N THR 222.A O no hydrogen 2.778 N/A ALA 227.A N ALA 223.A O no hydrogen 2.666 N/A ILE 228.A N THR 224.A O no hydrogen 2.847 N/A GLU 229.A N LEU 225.A O no hydrogen 2.653 N/A LYS 230.A N GLU 226.A O no hydrogen 2.525 N/A LYS 230.A NZ PHE 174.A O no hydrogen 2.766 N/A ALA 231.A N ALA 227.A O no hydrogen 2.678 N/A GLY 232.A N GLU 229.A O no hydrogen 2.930 N/A LEU 233.A N ILE 228.A O no hydrogen 3.177 N/A THR 234.A N ASP 237.A OD2 no hydrogen 3.041 N/A THR 234.A OG1 GLU 236.A OE1 no hydrogen 3.183 N/A THR 234.A OG1 ASP 237.A OD2 no hydrogen 3.347 N/A ASP 237.A N THR 234.A O no hydrogen 2.634 N/A ILE 238.A N PRO 235.A O no hydrogen 2.918 N/A ARG 239.A N HIS 298.A O no hydrogen 2.920 N/A PHE 241.A N ARG 264.A O no hydrogen 2.777 N/A VAL 242.A N LEU 300.A O no hydrogen 2.688 N/A HIS 244.A N VAL 302.A O no hydrogen 2.910 N/A HIS 244.A NE2 ASN 274.A OD1 no hydrogen 2.903 N/A GLN 245.A N SER 279.A OG no hydrogen 2.680 N/A GLN 245.A NE2 PRO 243.A O no hydrogen 2.856 N/A GLN 245.A NE2 ALA 266.A O no hydrogen 3.014 N/A ASN 247.A ND2 ARG 34.A O no hydrogen 2.827 N/A LEU 248.A N THR 35.A O no hydrogen 2.934 N/A ARG 249.A NE THR 33.A O no hydrogen 2.779 N/A ARG 249.A NH2 VAL 32.A O no hydrogen 3.011 N/A ILE 250.A N ASN 247.A OD1 no hydrogen 2.693 N/A ILE 251.A N ASN 247.A O no hydrogen 2.956 N/A ASP 252.A N LEU 248.A O no hydrogen 2.639 N/A ALA 253.A N ARG 249.A O no hydrogen 2.586 N/A ALA 254.A N ILE 250.A O no hydrogen 2.927 N/A ARG 255.A N ILE 251.A O no hydrogen 2.892 N/A ARG 255.A N ASP 252.A O no hydrogen 2.904 N/A ARG 255.A NH1 LEU 260.A O no hydrogen 2.694 N/A GLU 256.A N ASP 252.A O no hydrogen 3.033 N/A ARG 257.A N ALA 253.A O no hydrogen 3.350 N/A LEU 258.A N ARG 255.A O no hydrogen 2.649 N/A GLY 259.A N GLU 256.A O no hydrogen 2.751 N/A ARG 264.A N PRO 261.A O no hydrogen 2.877 N/A ARG 264.A NH2 ILE 238.A O no hydrogen 3.496 N/A VAL 265.A N TRP 262.A O no hydrogen 3.309 N/A ALA 266.A N PHE 241.A O no hydrogen 2.922 N/A ASN 268.A N GLN 245.A OE1 no hydrogen 2.827 N/A VAL 269.A N GLN 245.A OE1 no hydrogen 3.137 N/A ARG 271.A N ASN 268.A O no hydrogen 2.778 N/A ARG 271.A NH1 GLU 286.A OE2 no hydrogen 3.203 N/A ARG 271.A NH2 GLU 286.A OE1 no hydrogen 2.758 N/A TYR 272.A N ASN 268.A O no hydrogen 3.021 N/A TYR 272.A OH GLU 286.A OE2 no hydrogen 3.016 N/A GLY 273.A N VAL 269.A O no hydrogen 2.999 N/A ASN 274.A N LEU 152.A O no hydrogen 2.812 N/A SER 276.A N ASN 274.A OD1 no hydrogen 2.843 N/A SER 276.A OG GLU 136.A OE2 no hydrogen 2.783 N/A THR 277.A OG1 ALA 77.A O no hydrogen 3.047 N/A ALA 278.A N THR 275.A O no hydrogen 3.049 N/A SER 279.A N SER 276.A O no hydrogen 2.910 N/A LEU 282.A N ALA 278.A O no hydrogen 2.941 N/A ALA 283.A N SER 279.A O no hydrogen 3.124 N/A LEU 284.A N ILE 280.A O no hydrogen 2.828 N/A LYS 285.A N PRO 281.A O no hydrogen 3.097 N/A LYS 285.A NZ ALA 8.A O no hydrogen 3.358 N/A LYS 285.A NZ ASP 59.A OD1 no hydrogen 3.562 N/A LYS 285.A NZ ASP 59.A OD2 no hydrogen 2.904 N/A GLU 286.A N LEU 282.A O no hydrogen 3.484 N/A ALA 287.A N ALA 283.A O no hydrogen 3.053 N/A VAL 288.A N LEU 284.A O no hydrogen 2.790 N/A ASP 289.A N LYS 285.A O no hydrogen 3.019 N/A ALA 290.A N GLU 286.A O no hydrogen 2.860 N/A GLY 291.A N VAL 288.A O no hydrogen 2.979 N/A ARG 292.A N ALA 287.A O no hydrogen 2.865 N/A ARG 292.A NH2 GLU 263.A O no hydrogen 2.479 N/A ARG 292.A NH2 VAL 265.A O no hydrogen 3.478 N/A ILE 293.A N ALA 287.A O no hydrogen 3.196 N/A ARG 294.A N ASP 297.A OD2 no hydrogen 2.554 N/A ARG 294.A NE GLY 291.A O no hydrogen 2.640 N/A GLY 296.A N TRP 317.A O no hydrogen 2.871 N/A ASP 297.A N ARG 294.A O no hydrogen 2.902 N/A HIS 298.A ND1 THR 316.A OG1 no hydrogen 2.819 N/A VAL 299.A N LEU 315.A O no hydrogen 2.846 N/A LEU 300.A N LEU 240.A O no hydrogen 3.133 N/A LEU 301.A N ALA 313.A O no hydrogen 2.748 N/A VAL 302.A N VAL 242.A O no hydrogen 3.198 N/A SER 303.A N ALA 311.A O no hydrogen 2.685 N/A SER 303.A OG PHE 304.A O no hydrogen 3.442 N/A GLY 305.A N THR 309.A O no hydrogen 2.825 N/A LEU 308.A N ASP 179.A O no hydrogen 2.726 N/A THR 309.A N GLY 305.A O no hydrogen 3.101 N/A THR 309.A OG1 ALA 107.A O no hydrogen 3.449 N/A THR 309.A OG1 ALA 306.A O no hydrogen 2.752 N/A TRP 310.A N GLY 177.A O no hydrogen 2.993 N/A ALA 311.A N SER 303.A O no hydrogen 2.819 N/A ALA 312.A N VAL 175.A O no hydrogen 2.725 N/A ALA 313.A N LEU 301.A O no hydrogen 2.677 N/A VAL 314.A N SER 173.A O no hydrogen 3.237 N/A LEU 315.A N VAL 299.A O no hydrogen 2.938 N/A THR 316.A N GLY 170.A O no hydrogen 2.738 N/A THR 316.A OG1 HIS 298.A ND1 no hydrogen 2.819 N/A TRP 317.A N ASP 297.A O no hydrogen 2.767 N/A GLY 319.A N GLU 295.A OE1 no hydrogen 3.125 N/A