Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bu3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N ASP 1.A O no hydrogen 3.450 N/A VAL 5.A N VAL 79.A O no hydrogen 2.811 N/A SER 6.A OG GLU 8.A OE2 no hydrogen 2.897 N/A ARG 7.A NH1 PRO 85.A O no hydrogen 2.900 N/A ARG 7.A NH2 LYS 82.A O no hydrogen 2.825 N/A ARG 7.A NH2 PRO 85.A O no hydrogen 2.939 N/A LYS 9.A N SER 6.A O no hydrogen 2.993 N/A ILE 10.A N ARG 7.A O no hydrogen 3.062 N/A THR 11.A N ASN 28.A O no hydrogen 2.779 N/A LEU 13.A N GLU 26.A O no hydrogen 2.814 N/A ARG 14.A N GLU 26.A O no hydrogen 3.337 N/A ARG 14.A NE GLU 26.A OE1 no hydrogen 3.283 N/A LEU 16.A N VAL 24.A O no hydrogen 2.817 N/A GLY 17.A N VAL 24.A O no hydrogen 3.252 N/A GLY 19.A N GLY 22.A O no hydrogen 2.707 N/A SER 20.A OG ASP 164.A OD2 no hydrogen 3.404 N/A VAL 24.A N GLY 17.A O no hydrogen 2.893 N/A TYR 25.A N VAL 43.A O no hydrogen 2.830 N/A GLU 26.A N ARG 14.A O no hydrogen 2.851 N/A GLY 27.A N VAL 41.A O no hydrogen 2.853 N/A ASN 28.A N THR 11.A O no hydrogen 2.728 N/A ALA 29.A N THR 39.A O no hydrogen 2.794 N/A ARG 30.A N LYS 9.A O no hydrogen 2.819 N/A ARG 30.A NH2 GLU 8.A O no hydrogen 3.252 N/A ARG 30.A NH2 GLU 8.A OE1 no hydrogen 2.696 N/A ASP 31.A N ALA 37.A O no hydrogen 2.925 N/A GLU 36.A N ILE 33.A O no hydrogen 3.024 N/A THR 39.A N ALA 29.A O no hydrogen 2.897 N/A THR 39.A OG1 GLU 36.A OE1 no hydrogen 2.697 N/A VAL 41.A N GLY 27.A O no hydrogen 2.808 N/A ALA 42.A N MET 90.A O no hydrogen 2.883 N/A VAL 43.A N TYR 25.A O no hydrogen 2.824 N/A LYS 44.A N VAL 88.A O no hydrogen 2.787 N/A THR 45.A N MET 23.A O no hydrogen 3.076 N/A THR 45.A OG1 MET 23.A O no hydrogen 2.853 N/A ASN 47.A N PHE 21.A O no hydrogen 2.804 N/A ALA 50.A N ASN 47.A O no hydrogen 3.000 N/A SER 51.A N GLU 54.A OE1 no hydrogen 2.877 N/A GLU 54.A N SER 51.A OG no hydrogen 3.089 N/A ARG 55.A N SER 51.A O no hydrogen 2.885 N/A ARG 55.A NH1 ALA 50.A O no hydrogen 3.045 N/A ILE 56.A N LEU 52.A O no hydrogen 2.970 N/A GLU 57.A N ARG 53.A O no hydrogen 2.866 N/A PHE 58.A N GLU 54.A O no hydrogen 2.942 N/A LEU 59.A N ARG 55.A O no hydrogen 3.317 N/A ASN 60.A N ILE 56.A O no hydrogen 2.912 N/A GLU 61.A N GLU 57.A O no hydrogen 2.915 N/A ALA 62.A N PHE 58.A O no hydrogen 3.289 N/A SER 63.A N LEU 59.A O no hydrogen 3.027 N/A VAL 64.A N ASN 60.A O no hydrogen 2.928 N/A MET 65.A N GLU 61.A O no hydrogen 3.234 N/A LYS 66.A N SER 63.A O no hydrogen 3.146 N/A GLY 67.A N VAL 64.A O no hydrogen 3.179 N/A PHE 68.A N MET 65.A O no hydrogen 3.168 N/A THR 69.A N TYR 136.A OH no hydrogen 2.827 N/A HIS 72.A ND1 ASP 132.A OD2 no hydrogen 2.681 N/A VAL 73.A N CYS 70.A O no hydrogen 3.053 N/A VAL 74.A N ILE 162.A O no hydrogen 2.884 N/A ARG 75.A N GLU 91.A OE2 no hydrogen 2.922 N/A LEU 77.A N VAL 89.A O no hydrogen 2.791 N/A GLY 78.A N VAL 89.A O no hydrogen 3.211 N/A VAL 79.A N TRP 3.A O no hydrogen 2.846 N/A VAL 80.A N LEU 87.A O no hydrogen 2.851 N/A SER 81.A N GLU 4.A OE2 no hydrogen 2.714 N/A SER 81.A OG GLU 4.A OE1 no hydrogen 2.310 N/A SER 81.A OG GLU 4.A OE2 no hydrogen 3.272 N/A LYS 82.A N GLU 4.A OE2 no hydrogen 3.168 N/A LEU 87.A N VAL 80.A O no hydrogen 3.036 N/A VAL 88.A N LYS 44.A O no hydrogen 3.042 N/A VAL 89.A N GLY 78.A O no hydrogen 2.862 N/A MET 90.A N ALA 42.A O no hydrogen 2.780 N/A GLU 91.A N ARG 75.A O no hydrogen 2.914 N/A HIS 95.A N VAL 154.A O no hydrogen 2.848 N/A GLY 96.A N MET 93.A O no hydrogen 2.998 N/A LEU 98.A N CYS 152.A O no hydrogen 2.829 N/A LYS 99.A NZ GLN 219.A OE1 no hydrogen 2.849 N/A SER 100.A N ASP 97.A OD2 no hydrogen 2.824 N/A SER 100.A OG ASP 97.A OD1 no hydrogen 2.545 N/A SER 100.A OG ASP 97.A OD2 no hydrogen 3.265 N/A TYR 101.A N ASP 97.A O no hydrogen 2.978 N/A LEU 102.A N LEU 98.A O no hydrogen 2.828 N/A ARG 103.A N LYS 99.A O no hydrogen 3.077 N/A ARG 103.A NE ALA 217.A O no hydrogen 2.811 N/A ARG 103.A NH2 ALA 217.A O no hydrogen 2.955 N/A SER 104.A N SER 100.A O no hydrogen 3.038 N/A SER 104.A OG TYR 101.A O no hydrogen 2.734 N/A LEU 105.A N LEU 102.A O no hydrogen 3.061 N/A ARG 106.A N ARG 103.A O no hydrogen 3.377 N/A ARG 106.A NE LEU 216.A O no hydrogen 3.041 N/A ARG 106.A NH2 LEU 216.A O no hydrogen 3.021 N/A ALA 109.A N ARG 106.A O no hydrogen 3.011 N/A ASN 112.A N ALA 109.A O no hydrogen 3.008 N/A ASN 112.A ND2 ARG 106.A O no hydrogen 2.962 N/A GLY 114.A N ASN 112.A OD1 no hydrogen 2.896 N/A THR 119.A N GLU 122.A OE1 no hydrogen 2.908 N/A GLU 122.A N THR 119.A OG1 no hydrogen 3.063 N/A MET 123.A N THR 119.A O no hydrogen 2.851 N/A ILE 124.A N LEU 120.A O no hydrogen 2.875 N/A GLN 125.A N GLN 121.A O no hydrogen 3.013 N/A GLN 125.A NE2 GLU 129.A OE2 no hydrogen 2.898 N/A MET 126.A N GLU 122.A O no hydrogen 2.917 N/A ALA 127.A N MET 123.A O no hydrogen 2.912 N/A ALA 128.A N ILE 124.A O no hydrogen 2.907 N/A GLU 129.A N GLN 125.A O no hydrogen 2.983 N/A ILE 130.A N MET 126.A O no hydrogen 2.938 N/A ALA 131.A N ALA 127.A O no hydrogen 2.866 N/A ASP 132.A N ALA 128.A O no hydrogen 2.836 N/A GLY 133.A N GLU 129.A O no hydrogen 2.964 N/A MET 134.A N ILE 130.A O no hydrogen 2.924 N/A ALA 135.A N ALA 131.A O no hydrogen 2.747 N/A TYR 136.A N ASP 132.A O no hydrogen 2.993 N/A LEU 137.A N GLY 133.A O no hydrogen 2.979 N/A ASN 138.A N MET 134.A O no hydrogen 2.882 N/A ALA 139.A N ALA 135.A O no hydrogen 2.899 N/A LYS 140.A N TYR 136.A O no hydrogen 2.955 N/A LYS 141.A N ASN 138.A O no hydrogen 2.893 N/A LYS 141.A NZ ASP 174.A OD1 no hydrogen 2.940 N/A PHE 142.A N LEU 137.A O no hydrogen 3.058 N/A VAL 143.A N ARG 169.A O no hydrogen 2.888 N/A HIS 144.A N ASP 202.A OD2 no hydrogen 2.843 N/A HIS 144.A NE2 GLY 163.A O no hydrogen 3.277 N/A ARG 145.A N ASP 202.A OD1 no hydrogen 2.972 N/A ARG 145.A NH1 MET 167.A O no hydrogen 2.945 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.027 N/A ALA 149.A N GLU 212.A OE1 no hydrogen 2.878 N/A ARG 150.A NH2 ASP 146.A OD1 no hydrogen 2.862 N/A ASN 151.A N ALA 148.A O no hydrogen 2.929 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.791 N/A CYS 152.A N ALA 149.A O no hydrogen 3.055 N/A CYS 152.A SG ALA 148.A O no hydrogen 3.552 N/A MET 153.A N LYS 161.A O no hydrogen 2.842 N/A VAL 154.A N GLY 96.A O no hydrogen 2.755 N/A ALA 155.A N THR 159.A O no hydrogen 2.894 N/A PHE 158.A N ALA 155.A O no hydrogen 2.930 N/A THR 159.A N ASP 157.A OD1 no hydrogen 3.129 N/A THR 159.A OG1 ASP 157.A OD1 no hydrogen 2.684 N/A THR 159.A OG1 ASP 157.A OD2 no hydrogen 3.288 N/A VAL 160.A N GLU 129.A OE1 no hydrogen 2.857 N/A LYS 161.A N MET 153.A O no hydrogen 2.932 N/A LYS 161.A NZ GLU 91.A OE1 no hydrogen 2.702 N/A ILE 162.A N HIS 72.A O no hydrogen 2.862 N/A GLY 163.A N ASN 151.A O no hydrogen 2.800 N/A PHE 165.A N GLU 61.A OE2 no hydrogen 2.702 N/A GLY 166.A N ASP 164.A OD1 no hydrogen 3.235 N/A THR 168.A N PHE 165.A O no hydrogen 3.126 N/A THR 168.A OG1 HIS 144.A O no hydrogen 3.358 N/A ARG 169.A N VAL 143.A O no hydrogen 2.907 N/A ARG 169.A NH1 THR 168.A O no hydrogen 2.767 N/A ILE 171.A N LYS 141.A O no hydrogen 2.818 N/A ASP 174.A N ILE 171.A O no hydrogen 2.747 N/A LYS 176.A N GLY 195.A O no hydrogen 2.845 N/A VAL 184.A N LEU 182.A O no hydrogen 2.856 N/A ARG 185.A NH1 PRO 220.A O no hydrogen 3.024 N/A ARG 185.A NH1 TYR 221.A O no hydrogen 3.016 N/A ARG 185.A NH1 LEU 224.A O no hydrogen 2.959 N/A ARG 185.A NH2 LEU 224.A O no hydrogen 2.775 N/A ARG 185.A NH2 ASN 226.A OD1 no hydrogen 3.085 N/A TRP 186.A N PRO 183.A O no hydrogen 2.868 N/A TRP 186.A NE1 GLU 212.A OE1 no hydrogen 2.978 N/A MET 187.A N VAL 184.A O no hydrogen 3.252 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.848 N/A SER 191.A OG VAL 196.A O no hydrogen 2.660 N/A LEU 192.A N ALA 188.A O no hydrogen 3.083 N/A LYS 193.A N PRO 189.A O no hydrogen 2.818 N/A ASP 194.A N GLU 190.A O no hydrogen 2.790 N/A GLY 195.A N SER 191.A O no hydrogen 2.839 N/A THR 198.A N SER 201.A OG no hydrogen 2.886 N/A SER 200.A OG THR 198.A OG1 no hydrogen 3.405 N/A SER 201.A N THR 198.A O no hydrogen 3.000 N/A SER 201.A N THR 198.A OG1 no hydrogen 3.288 N/A SER 201.A OG THR 198.A O no hydrogen 2.929 N/A ASP 202.A N THR 198.A O no hydrogen 3.079 N/A MET 203.A N THR 199.A O no hydrogen 2.848 N/A TRP 204.A N SER 200.A O no hydrogen 3.155 N/A SER 205.A N SER 201.A O no hydrogen 3.217 N/A SER 205.A OG TRP 186.A O no hydrogen 2.673 N/A SER 205.A OG SER 201.A O no hydrogen 3.413 N/A PHE 206.A N ASP 202.A O no hydrogen 2.861 N/A GLY 207.A N MET 203.A O no hydrogen 3.072 N/A VAL 208.A N TRP 204.A O no hydrogen 3.217 N/A VAL 209.A N SER 205.A O no hydrogen 2.839 N/A LEU 210.A N PHE 206.A O no hydrogen 2.929 N/A TRP 211.A N GLY 207.A O no hydrogen 3.026 N/A TRP 211.A NE1 ASP 240.A O no hydrogen 2.791 N/A GLU 212.A N VAL 208.A O no hydrogen 2.767 N/A ILE 213.A N VAL 209.A O no hydrogen 2.870 N/A THR 214.A N LEU 210.A O no hydrogen 2.999 N/A THR 214.A OG1 LEU 210.A O no hydrogen 2.987 N/A THR 214.A OG1 TRP 211.A O no hydrogen 3.156 N/A SER 215.A N TRP 211.A O no hydrogen 3.016 N/A SER 215.A N GLU 212.A O no hydrogen 3.278 N/A SER 215.A OG TRP 211.A O no hydrogen 2.993 N/A SER 215.A OG GLU 212.A O no hydrogen 3.433 N/A LEU 216.A N ILE 213.A O no hydrogen 3.475 N/A ALA 217.A N GLU 212.A O no hydrogen 2.638 N/A GLU 218.A N SER 215.A OG no hydrogen 3.131 N/A LEU 224.A N TYR 221.A O no hydrogen 2.931 N/A SER 225.A N GLN 228.A OE1 no hydrogen 2.943 N/A GLN 228.A N SER 225.A OG no hydrogen 3.219 N/A VAL 229.A N SER 225.A O no hydrogen 2.910 N/A LEU 230.A N ASN 226.A O no hydrogen 3.086 N/A LYS 231.A N GLU 227.A O no hydrogen 3.246 N/A PHE 232.A N GLN 228.A O no hydrogen 2.892 N/A VAL 233.A N VAL 229.A O no hydrogen 2.869 N/A MET 234.A N LEU 230.A O no hydrogen 3.245 N/A ASP 235.A N LYS 231.A O no hydrogen 3.036 N/A ASP 235.A N PHE 232.A O no hydrogen 3.253 N/A GLY 236.A N VAL 233.A O no hydrogen 3.037 N/A GLY 237.A N PHE 232.A O no hydrogen 2.825 N/A CYS 245.A N PRO 242.A O no hydrogen 3.122 N/A CYS 245.A SG THR 214.A OG1 no hydrogen 3.713 N/A CYS 245.A SG GLN 241.A OE1 no hydrogen 3.631 N/A CYS 245.A SG PRO 246.A O no hydrogen 3.545 N/A CYS 245.A SG THR 250.A OG1 no hydrogen 3.413 N/A ARG 248.A NH1 ASP 277.A OD2 no hydrogen 3.128 N/A ARG 248.A NH2 ASP 277.A OD2 no hydrogen 2.641 N/A VAL 249.A N PRO 246.A O no hydrogen 3.109 N/A THR 250.A N PRO 246.A O no hydrogen 3.132 N/A THR 250.A OG1 GLN 241.A OE1 no hydrogen 2.574 N/A ASP 251.A N GLU 247.A O no hydrogen 2.952 N/A LEU 252.A N ARG 248.A O no hydrogen 3.423 N/A MET 253.A N VAL 249.A O no hydrogen 2.942 N/A ARG 254.A N THR 250.A O no hydrogen 3.047 N/A MET 255.A N ASP 251.A O no hydrogen 3.295 N/A CYS 256.A N LEU 252.A O no hydrogen 2.998 N/A CYS 256.A SG LEU 252.A O no hydrogen 3.428 N/A TRP 257.A N ARG 254.A O no hydrogen 3.220 N/A GLN 258.A N MET 255.A O no hydrogen 3.456 N/A GLN 258.A NE2 MET 263.A O no hydrogen 3.669 N/A ASN 262.A N ASN 260.A OD1 no hydrogen 2.904 N/A ASN 262.A ND2 ASN 260.A OD1 no hydrogen 3.456 N/A MET 263.A N ASN 260.A O no hydrogen 2.928 N/A ARG 264.A N PRO 261.A O no hydrogen 3.187 N/A ARG 264.A NE GLN 258.A O no hydrogen 2.813 N/A ARG 264.A NH1 GLU 190.A OE1 no hydrogen 3.494 N/A ARG 264.A NH1 GLU 190.A OE2 no hydrogen 2.868 N/A ARG 264.A NH1 SER 200.A O no hydrogen 3.040 N/A ARG 264.A NH2 GLU 190.A OE1 no hydrogen 2.851 N/A ARG 264.A NH2 GLN 258.A O no hydrogen 3.128 N/A THR 266.A N GLU 269.A OE1 no hydrogen 3.014 N/A GLU 269.A N THR 266.A OG1 no hydrogen 3.081 N/A ILE 270.A N THR 266.A O no hydrogen 3.163 N/A VAL 271.A N PHE 267.A O no hydrogen 3.088 N/A ASN 272.A N LEU 268.A O no hydrogen 2.966 N/A LEU 273.A N GLU 269.A O no hydrogen 2.917 N/A LEU 274.A N ILE 270.A O no hydrogen 3.187 N/A LEU 274.A N VAL 271.A O no hydrogen 3.009 N/A LYS 275.A N ASN 272.A O no hydrogen 3.431 N/A LYS 275.A NZ ASN 272.A O no hydrogen 3.482 N/A LYS 275.A NZ ASN 272.A OD1 no hydrogen 3.300 N/A ASP 277.A N LEU 274.A O no hydrogen 2.996 N/A HIS 279.A N GLN 125.A OE1 no hydrogen 2.958 N/A HIS 279.A ND1 SER 281.A OG no hydrogen 2.724 N/A SER 281.A N HIS 279.A ND1 no hydrogen 2.899 N/A SER 281.A OG HIS 279.A ND1 no hydrogen 2.724 N/A PHE 282.A N HIS 279.A O no hydrogen 3.022 N/A GLU 284.A N SER 281.A O no hydrogen 2.840 N/A VAL 285.A N PHE 282.A O no hydrogen 3.108 N/A SER 286.A N PHE 282.A O no hydrogen 2.827 N/A SER 286.A OG PHE 282.A O no hydrogen 3.325 N/A SER 286.A OG HIS 289.A ND1 no hydrogen 2.723 N/A PHE 287.A N ASP 132.A OD2 no hydrogen 2.724 N/A PHE 288.A N ASP 132.A OD1 no hydrogen 2.780 N/A HIS 289.A N SER 286.A OG no hydrogen 2.967 N/A HIS 289.A ND1 SER 286.A OG no hydrogen 2.723 N/A SER 290.A N PHE 287.A O no hydrogen 3.026 N/A SER 290.A OG PHE 287.A O no hydrogen 2.774 N/A ASN 293.A N SER 290.A O no hydrogen 3.222 N/A ASN 293.A ND2 PHE 288.A O no hydrogen 2.856 N/A