Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gbu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N LYS 47.A O no hydrogen 3.256 N/A ILE 2.A N LYS 47.A O no hydrogen 3.244 N/A ALA 3.A N ILE 124.A O no hydrogen 3.070 N/A SER 4.A N SER 49.A O no hydrogen 2.813 N/A SER 4.A OG PRO 34.A O no hydrogen 3.497 N/A ILE 5.A N ASN 126.A O no hydrogen 2.805 N/A GLY 6.A N ILE 51.A O no hydrogen 3.167 N/A GLU 7.A N GLU 7.A OE1 no hydrogen 2.627 N/A LEU 9.A N GLY 31.A O no hydrogen 3.026 N/A ILE 10.A N GLY 86.A O no hydrogen 2.845 N/A ASP 11.A N HIS 29.A O no hydrogen 2.843 N/A LEU 12.A N VAL 88.A O no hydrogen 2.747 N/A ILE 13.A N GLU 27.A O no hydrogen 2.911 N/A SER 14.A N VAL 90.A O no hydrogen 2.869 N/A SER 14.A OG VAL 90.A O no hydrogen 2.993 N/A VAL 15.A N LEU 25.A O no hydrogen 2.984 N/A LYS 21.A N ASP 19.A OD2 no hydrogen 3.042 N/A LYS 21.A NZ ASP 22.A OD1 no hydrogen 2.846 N/A ASP 22.A N ASP 19.A O no hydrogen 2.960 N/A VAL 23.A N ASP 19.A O no hydrogen 3.115 N/A ARG 24.A N GLU 16.A OE2 no hydrogen 3.380 N/A ARG 24.A NH2 GLU 16.A OE1 no hydrogen 2.907 N/A LEU 25.A N GLU 16.A OE2 no hydrogen 3.173 N/A GLU 27.A N ILE 13.A O no hydrogen 2.924 N/A HIS 29.A N ASP 11.A O no hydrogen 3.012 N/A HIS 29.A NE2 GLU 27.A OE1 no hydrogen 2.662 N/A GLY 31.A N LEU 9.A O no hydrogen 2.770 N/A ASN 36.A N GLY 32.A O no hydrogen 2.739 N/A ASN 36.A ND2 ASP 241.A OD2 no hydrogen 2.898 N/A VAL 37.A N ALA 33.A O no hydrogen 2.777 N/A ALA 38.A N PRO 34.A O no hydrogen 2.933 N/A VAL 39.A N ALA 35.A O no hydrogen 3.031 N/A GLY 40.A N ASN 36.A O no hydrogen 3.055 N/A VAL 41.A N VAL 37.A O no hydrogen 2.826 N/A SER 42.A N ALA 38.A O no hydrogen 3.011 N/A SER 42.A OG GLU 70.A O no hydrogen 2.464 N/A ARG 43.A N VAL 39.A O no hydrogen 2.903 N/A ARG 43.A NE GLU 70.A OE1 no hydrogen 2.977 N/A ARG 43.A NH1 TRP 279.A O no hydrogen 2.782 N/A ARG 43.A NH1 THR 281.A O no hydrogen 2.984 N/A ARG 43.A NH2 GLU 70.A OE2 no hydrogen 2.784 N/A ARG 43.A NH2 TRP 279.A O no hydrogen 3.532 N/A LEU 44.A N GLY 40.A O no hydrogen 3.165 N/A LEU 44.A N VAL 41.A O no hydrogen 3.153 N/A GLY 45.A N SER 42.A O no hydrogen 2.980 N/A VAL 46.A N VAL 41.A O no hydrogen 3.281 N/A SER 48.A OG ALA 38.A O no hydrogen 2.721 N/A SER 49.A N ILE 2.A O no hydrogen 2.927 N/A SER 49.A OG ASP 73.A OD2 no hydrogen 2.969 N/A LEU 50.A N ASP 73.A O no hydrogen 3.227 N/A ILE 51.A N SER 4.A O no hydrogen 2.735 N/A SER 52.A N GLY 76.A O no hydrogen 3.174 N/A SER 52.A OG GLY 6.A O no hydrogen 2.707 N/A LYS 53.A N SER 52.A OG no hydrogen 2.712 N/A LYS 53.A NZ ASN 109.A O no hydrogen 2.868 N/A LYS 53.A NZ ASP 113.A OD2 no hydrogen 2.653 N/A VAL 54.A N VAL 78.A O no hydrogen 2.846 N/A GLY 55.A N THR 85.A OG1 no hydrogen 3.086 N/A ASN 56.A N ASP 80.A O no hydrogen 3.133 N/A ASN 56.A ND2 GLU 81.A OE1 no hydrogen 3.230 N/A GLY 60.A N ASP 57.A OD1 no hydrogen 2.754 N/A GLU 61.A N ASP 57.A O no hydrogen 3.118 N/A TYR 62.A N PRO 58.A O no hydrogen 2.959 N/A LEU 63.A N PHE 59.A O no hydrogen 3.111 N/A ILE 64.A N GLY 60.A O no hydrogen 3.153 N/A GLU 65.A N GLU 61.A O no hydrogen 2.965 N/A GLU 66.A N TYR 62.A O no hydrogen 2.876 N/A LEU 67.A N LEU 63.A O no hydrogen 2.992 N/A SER 68.A N ILE 64.A O no hydrogen 2.961 N/A SER 68.A OG ILE 64.A O no hydrogen 3.215 N/A LYS 69.A N GLU 65.A O no hydrogen 2.988 N/A LYS 69.A NZ GLU 66.A OE2 no hydrogen 2.929 N/A GLU 70.A N LEU 67.A O no hydrogen 2.992 N/A ASN 71.A N SER 68.A O no hydrogen 2.821 N/A VAL 72.A N LEU 67.A O no hydrogen 3.099 N/A ASP 73.A N SER 48.A O no hydrogen 2.839 N/A ARG 75.A N ASP 73.A OD1 no hydrogen 3.052 N/A ARG 75.A NE ASP 73.A OD1 no hydrogen 2.932 N/A ARG 75.A NE ASP 73.A OD2 no hydrogen 3.065 N/A ARG 75.A NH2 ASP 73.A OD2 no hydrogen 2.691 N/A ARG 75.A NH2 GLU 121.A OE2 no hydrogen 3.387 N/A ILE 77.A N THR 74.A O no hydrogen 2.915 N/A VAL 78.A N SER 52.A O no hydrogen 3.027 N/A ASP 80.A N VAL 54.A O no hydrogen 2.689 N/A LYS 82.A N ASP 80.A OD1 no hydrogen 2.756 N/A LYS 83.A N ASP 80.A OD1 no hydrogen 2.776 N/A LYS 83.A NZ ASP 104.A OD2 no hydrogen 2.798 N/A THR 85.A N ASP 57.A OD2 no hydrogen 3.031 N/A THR 85.A OG1 ASP 57.A OD1 no hydrogen 2.587 N/A THR 85.A OG1 ASP 57.A OD2 no hydrogen 3.039 N/A VAL 88.A N ILE 10.A O no hydrogen 2.910 N/A PHE 89.A N LEU 100.A O no hydrogen 2.940 N/A VAL 90.A N LEU 12.A O no hydrogen 2.811 N/A GLN 91.A N SER 98.A O no hydrogen 2.841 N/A GLN 91.A NE2 GLU 16.A O no hydrogen 2.792 N/A GLN 91.A NE2 GLY 18.A O no hydrogen 2.733 N/A LYS 93.A N GLN 91.A OE1 no hydrogen 2.870 N/A LYS 93.A NZ VAL 15.A O no hydrogen 2.470 N/A LYS 93.A NZ GLU 17.A OE2 no hydrogen 3.091 N/A SER 98.A N GLN 91.A O no hydrogen 2.976 N/A LEU 100.A N PHE 89.A O no hydrogen 2.795 N/A TYR 102.A N ILE 87.A O no hydrogen 3.271 N/A VAL 105.A N ASP 103.A O no hydrogen 2.927 N/A ALA 106.A N HIS 84.A O no hydrogen 2.821 N/A PHE 108.A N VAL 105.A O no hydrogen 3.191 N/A ASN 109.A N ALA 106.A O no hydrogen 2.942 N/A ASN 109.A ND2 ASP 80.A OD2 no hydrogen 2.825 N/A THR 110.A OG1 ASP 113.A OD2 no hydrogen 3.186 N/A ASP 113.A N THR 110.A O no hydrogen 2.907 N/A ILE 114.A N LEU 111.A O no hydrogen 3.013 N/A ILE 118.A N ASN 115.A OD1 no hydrogen 2.969 N/A VAL 119.A N ASN 115.A O no hydrogen 3.400 N/A GLU 120.A N ASP 117.A O no hydrogen 2.735 N/A GLU 121.A N ASP 117.A O no hydrogen 3.053 N/A ALA 122.A N ILE 118.A O no hydrogen 3.473 N/A LYS 123.A N LEU 1.A O no hydrogen 2.679 N/A ILE 124.A N LEU 1.A O no hydrogen 3.385 N/A VAL 125.A N LEU 152.A O no hydrogen 2.780 N/A ASN 126.A N ALA 3.A O no hydrogen 2.779 N/A ASN 126.A ND2 SER 4.A OG no hydrogen 3.076 N/A PHE 127.A N ALA 154.A O no hydrogen 3.037 N/A SER 129.A OG VAL 157.A O no hydrogen 2.603 N/A SER 129.A OG ASN 158.A O no hydrogen 3.115 N/A LEU 132.A N SER 129.A O no hydrogen 2.914 N/A ALA 133.A N VAL 130.A O no hydrogen 2.903 N/A ARG 134.A NE ASP 103.A OD2 no hydrogen 2.828 N/A ARG 134.A NH1 ALA 133.A O no hydrogen 2.883 N/A ARG 134.A NH1 LEU 163.A O no hydrogen 2.854 N/A ARG 134.A NH2 ASP 103.A OD2 no hydrogen 3.334 N/A SER 137.A N PHE 108.A O no hydrogen 3.257 N/A SER 137.A OG TYR 107.A O no hydrogen 2.614 N/A ARG 138.A N ARG 134.A O no hydrogen 2.860 N/A ARG 138.A NH1 LEU 132.A O no hydrogen 2.937 N/A ARG 138.A NH1 GLN 167.A OE1 no hydrogen 3.412 N/A THR 140.A N PRO 136.A O no hydrogen 3.045 N/A THR 140.A OG1 PRO 136.A O no hydrogen 3.230 N/A VAL 141.A N SER 137.A O no hydrogen 2.778 N/A VAL 143.A N THR 140.A O no hydrogen 3.101 N/A ILE 144.A N VAL 141.A O no hydrogen 2.993 N/A LYS 146.A N LYS 142.A O no hydrogen 2.974 N/A ILE 147.A N VAL 143.A O no hydrogen 3.024 N/A LYS 148.A N ILE 144.A O no hydrogen 2.989 N/A LYS 148.A NZ LEU 180.A O no hydrogen 2.658 N/A LYS 148.A NZ ASP 182.A OD1 no hydrogen 3.286 N/A LYS 148.A NZ ASP 182.A OD2 no hydrogen 3.225 N/A SER 150.A N ILE 147.A O no hydrogen 2.730 N/A SER 151.A N ILE 147.A O no hydrogen 3.407 N/A SER 151.A OG ALA 122.A O no hydrogen 2.653 N/A LEU 152.A N LYS 123.A O no hydrogen 2.930 N/A ILE 153.A N ASP 182.A OD2 no hydrogen 2.771 N/A ALA 154.A N VAL 125.A O no hydrogen 2.837 N/A PHE 155.A N ILE 183.A O no hydrogen 2.674 N/A VAL 157.A N LYS 185.A O no hydrogen 2.938 N/A ASN 158.A N ASP 156.A OD1 no hydrogen 2.974 N/A LEU 159.A N GLU 190.A OE2 no hydrogen 2.833 N/A ARG 160.A NH1 LEU 159.A O no hydrogen 2.773 N/A LEU 163.A N ARG 160.A O no hydrogen 2.886 N/A TRP 164.A N LEU 161.A O no hydrogen 2.820 N/A GLN 167.A N TRP 164.A O no hydrogen 2.858 N/A GLN 167.A NE2 ALA 133.A O no hydrogen 3.396 N/A LYS 172.A N GLU 169.A O no hydrogen 3.169 N/A VAL 173.A N GLU 170.A O no hydrogen 2.843 N/A GLU 175.A N ILE 171.A O no hydrogen 3.111 N/A GLU 176.A N LYS 172.A O no hydrogen 2.942 N/A SER 177.A N VAL 173.A O no hydrogen 2.847 N/A SER 177.A OG VAL 173.A O no hydrogen 2.889 N/A ILE 178.A N LEU 174.A O no hydrogen 2.893 N/A LYS 179.A N GLU 175.A O no hydrogen 3.012 N/A LEU 180.A N GLU 176.A O no hydrogen 3.100 N/A LEU 180.A N SER 177.A O no hydrogen 3.211 N/A ALA 181.A N ILE 178.A O no hydrogen 3.082 N/A ASP 182.A N ILE 153.A O no hydrogen 2.829 N/A ILE 183.A N ILE 153.A O no hydrogen 2.796 N/A VAL 184.A N LEU 205.A O no hydrogen 3.028 N/A LYS 185.A N PHE 155.A O no hydrogen 2.862 N/A LYS 185.A NZ ASP 156.A OD2 no hydrogen 2.970 N/A ALA 186.A N ALA 207.A O no hydrogen 3.037 N/A SER 187.A N GLU 190.A OE1 no hydrogen 2.900 N/A GLU 188.A N THR 209.A O no hydrogen 2.952 N/A GLU 190.A N SER 187.A OG no hydrogen 3.033 N/A VAL 191.A N SER 187.A O no hydrogen 2.930 N/A LEU 192.A N GLU 188.A O no hydrogen 2.928 N/A TYR 193.A N GLU 189.A O no hydrogen 3.058 N/A LEU 194.A N GLU 190.A O no hydrogen 3.035 N/A GLU 195.A N VAL 191.A O no hydrogen 2.993 N/A ASN 196.A N LEU 192.A O no hydrogen 3.060 N/A GLN 197.A N LEU 194.A O no hydrogen 2.795 N/A GLN 197.A NE2 TYR 193.A OH no hydrogen 3.095 N/A GLY 198.A N GLU 195.A O no hydrogen 2.670 N/A VAL 199.A N LEU 194.A O no hydrogen 2.789 N/A GLY 203.A N THR 206.A OG1 no hydrogen 2.731 N/A SER 204.A N ALA 181.A O no hydrogen 3.163 N/A SER 204.A OG ALA 181.A O no hydrogen 3.453 N/A SER 204.A OG ASP 182.A OD1 no hydrogen 3.207 N/A THR 206.A N ILE 218.A O no hydrogen 2.942 N/A ALA 207.A N VAL 184.A O no hydrogen 2.886 N/A ILE 208.A N ARG 216.A O no hydrogen 2.867 N/A THR 209.A N ALA 186.A O no hydrogen 2.824 N/A LEU 210.A N GLY 214.A O no hydrogen 2.775 N/A LYS 213.A N LEU 210.A O no hydrogen 3.357 N/A GLY 214.A N GLY 211.A O no hydrogen 3.108 N/A PHE 215.A N VAL 226.A O no hydrogen 2.975 N/A ARG 216.A N ILE 208.A O no hydrogen 2.817 N/A ARG 216.A NE ASP 225.A OD1 no hydrogen 3.289 N/A LEU 217.A N VAL 224.A O no hydrogen 2.896 N/A ILE 218.A N THR 206.A O no hydrogen 2.793 N/A LYS 219.A N THR 222.A O no hydrogen 3.014 N/A THR 222.A N LYS 219.A O no hydrogen 2.779 N/A VAL 224.A N LEU 217.A O no hydrogen 2.929 N/A VAL 226.A N PHE 215.A O no hydrogen 2.877 N/A SER 228.A OG PRO 212.A O no hydrogen 2.696 N/A TYR 229.A OH GLU 292.A OE2 no hydrogen 2.894 N/A LEU 234.A N THR 273.A O no hydrogen 2.760 N/A ASP 235.A N THR 273.A O no hydrogen 2.775 N/A THR 237.A N ASP 235.A OD1 no hydrogen 2.920 N/A THR 237.A OG1 ASP 235.A OD1 no hydrogen 2.752 N/A ALA 239.A N THR 236.A O no hydrogen 3.050 N/A ALA 242.A N GLY 238.A O no hydrogen 2.968 N/A PHE 243.A N ALA 239.A O no hydrogen 2.757 N/A ALA 245.A N ALA 242.A O no hydrogen 3.094 N/A LEU 246.A N PHE 243.A O no hydrogen 2.904 N/A VAL 248.A N ALA 244.A O no hydrogen 2.992 N/A GLY 249.A N ALA 245.A O no hydrogen 2.779 N/A ILE 250.A N LEU 246.A O no hydrogen 3.015 N/A LEU 251.A N LEU 247.A O no hydrogen 2.955 N/A LYS 252.A N VAL 248.A O no hydrogen 2.891 N/A LYS 252.A NZ VAL 296.A O no hydrogen 3.522 N/A LEU 253.A N GLY 249.A O no hydrogen 2.820 N/A LYS 260.A N ASP 257.A OD1 no hydrogen 2.899 N/A LEU 261.A N ASP 257.A O no hydrogen 2.910 N/A GLY 262.A N LEU 258.A O no hydrogen 2.622 N/A LYS 263.A N LEU 259.A O no hydrogen 2.917 N/A PHE 264.A N LYS 260.A O no hydrogen 2.880 N/A ALA 265.A N LEU 261.A O no hydrogen 2.970 N/A ASN 266.A N GLY 262.A O no hydrogen 2.947 N/A ASN 266.A ND2 PRO 227.A O no hydrogen 2.965 N/A LEU 267.A N LYS 263.A O no hydrogen 2.930 N/A VAL 268.A N PHE 264.A O no hydrogen 3.038 N/A ALA 269.A N ALA 265.A O no hydrogen 2.885 N/A ALA 270.A N ASN 266.A O no hydrogen 2.883 N/A LEU 271.A N LEU 267.A O no hydrogen 3.027 N/A SER 272.A N VAL 268.A O no hydrogen 3.033 N/A SER 272.A OG ALA 269.A O no hydrogen 2.665 N/A THR 273.A N ALA 269.A O no hydrogen 3.330 N/A THR 273.A N ALA 270.A O no hydrogen 3.086 N/A THR 273.A OG1 ALA 270.A O no hydrogen 2.437 N/A THR 273.A OG1 GLN 274.A OE1 no hydrogen 3.209 N/A GLN 274.A N LEU 271.A O no hydrogen 3.003 N/A LYS 275.A N SER 272.A O no hydrogen 3.009 N/A LYS 275.A NZ GLU 286.A OE1 no hydrogen 3.186 N/A LYS 275.A NZ GLU 286.A OE2 no hydrogen 3.373 N/A GLY 277.A N ASP 235.A OD2 no hydrogen 2.971 N/A TRP 279.A NE1 ASN 36.A OD1 no hydrogen 2.825 N/A ARG 283.A N GLU 286.A OE2 no hydrogen 2.910 N/A ARG 283.A NE ASP 285.A OD2 no hydrogen 2.843 N/A ARG 283.A NH2 ASP 285.A OD1 no hydrogen 3.226 N/A LYS 284.A N ARG 43.A O no hydrogen 2.810 N/A GLU 286.A N ARG 283.A O no hydrogen 3.037 N/A LEU 287.A N LYS 284.A O no hydrogen 2.819 N/A LEU 288.A N LYS 284.A O no hydrogen 3.307 N/A TYR 290.A N LEU 287.A O no hydrogen 2.819 N/A GLU 292.A N GLU 292.A OE1 no hydrogen 2.408 N/A ALA 293.A N TYR 290.A O no hydrogen 3.167 N/A ARG 294.A N TYR 290.A O no hydrogen 2.868 N/A ARG 294.A NH1 LEU 288.A O no hydrogen 3.116 N/A GLU 295.A N LYS 291.A O no hydrogen 3.452 N/A LEU 297.A N ALA 293.A O no hydrogen 2.804 N/A