Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xbu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 8.A N PRO 5.A O no hydrogen 2.929 N/A ASN 8.A ND2 GLU 107.A OE2 no hydrogen 2.829 N/A VAL 9.A N PRO 5.A O no hydrogen 3.291 N/A LYS 10.A N LEU 6.A O no hydrogen 2.883 N/A LYS 10.A NZ.A ASP 256.A OD1 no hydrogen 2.763 N/A ALA 11.A N ALA 7.A O no hydrogen 2.966 N/A HIS 12.A N ASN 8.A O no hydrogen 3.141 N/A HIS 12.A ND1 TYR 40.A OH no hydrogen 2.689 N/A HIS 12.A NE2 GLU 107.A OE1 no hydrogen 2.771 N/A LEU 13.A N VAL 9.A O no hydrogen 3.130 N/A THR 14.A N LYS 10.A O no hydrogen 2.884 N/A THR 14.A OG1 LYS 10.A O no hydrogen 3.231 N/A GLN 15.A N ALA 11.A O no hydrogen 3.021 N/A LEU 16.A N HIS 12.A O no hydrogen 2.927 N/A SER 17.A N LEU 13.A O no hydrogen 2.806 N/A THR 18.A N THR 14.A O no hydrogen 2.927 N/A THR 18.A OG1 THR 14.A O no hydrogen 3.190 N/A ILE 19.A N GLN 15.A O no hydrogen 2.922 N/A ALA 20.A N LEU 16.A O no hydrogen 2.916 N/A ALA 21.A N SER 17.A O no hydrogen 2.964 N/A ASN 22.A N THR 18.A O no hydrogen 2.864 N/A ASN 23.A N ALA 20.A O no hydrogen 3.014 N/A ASN 23.A ND2 ILE 19.A O no hydrogen 2.845 N/A GLY 25.A N ALA 20.A O no hydrogen 2.728 N/A ASN 26.A ND2 SER 90.A O no hydrogen 3.560 N/A ARG 27.A N SER 88.A OG no hydrogen 2.885 N/A ARG 27.A NE ALA 93.A O no hydrogen 2.756 N/A ARG 27.A NH1 SER 37.A OG.A no hydrogen 3.099 N/A ARG 27.A NH1 LEU 86.A O no hydrogen 2.721 N/A ARG 27.A NH2 ALA 93.A O no hydrogen 3.352 N/A ARG 27.A NH2 GLY 94.A O no hydrogen 3.097 N/A ALA 28.A N ASN 26.A OD1 no hydrogen 2.997 N/A HIS 29.A NE2 SER 59.A O no hydrogen 2.984 N/A ARG 31.A N ALA 28.A O no hydrogen 2.995 N/A TYR 34.A N ARG 31.A O no hydrogen 3.040 N/A TYR 34.A OH TYR 65.A O no hydrogen 2.679 N/A LYS 35.A NZ ASP 39.A OD1 no hydrogen 2.870 N/A ALA 36.A N PRO 32.A O no hydrogen 3.029 N/A SER 37.A N GLY 33.A O no hydrogen 3.148 N/A SER 37.A OG.A GLY 33.A O no hydrogen 2.812 N/A VAL 38.A N TYR 34.A O no hydrogen 2.974 N/A ASP 39.A N LYS 35.A O no hydrogen 2.876 N/A TYR 40.A N ALA 36.A O no hydrogen 3.086 N/A TYR 40.A OH HIS 12.A ND1 no hydrogen 2.689 N/A VAL 41.A N SER 37.A O no hydrogen 3.136 N/A LYS 42.A N VAL 38.A O no hydrogen 2.866 N/A LYS 42.A NZ ASP 46.A OD2 no hydrogen 2.788 N/A LYS 42.A NZ THR 52.A OG1 no hydrogen 3.120 N/A ALA 43.A N ASP 39.A O no hydrogen 3.053 N/A LYS 44.A N TYR 40.A O no hydrogen 3.289 N/A LEU 45.A N VAL 41.A O no hydrogen 3.076 N/A ASP 46.A N LYS 42.A O no hydrogen 2.820 N/A ALA 47.A N ALA 43.A O no hydrogen 3.103 N/A ALA 48.A N LYS 44.A O no hydrogen 3.186 N/A ALA 48.A N LEU 45.A O no hydrogen 3.090 N/A GLY 49.A N ASP 46.A O no hydrogen 3.121 N/A TYR 50.A N LEU 45.A O no hydrogen 3.121 N/A TYR 50.A OH ALA 109.A O no hydrogen 2.654 N/A THR 51.A N ASN 70.A O no hydrogen 2.920 N/A THR 51.A OG1.B ASN 70.A O no hydrogen 3.083 N/A THR 52.A OG1 ASP 46.A OD1 no hydrogen 2.632 N/A THR 53.A N ILE 68.A O no hydrogen 2.834 N/A GLN 55.A N ASN 66.A O no hydrogen 2.820 N/A PHE 57.A N GLY 64.A O no hydrogen 2.972 N/A SER 59.A N ALA 62.A O no hydrogen 2.980 N/A ALA 62.A N SER 59.A O no hydrogen 3.074 N/A GLY 64.A N PHE 57.A O no hydrogen 2.715 N/A ASN 66.A N GLN 55.A O no hydrogen 2.847 N/A ASN 66.A ND2 GLN 55.A OE1 no hydrogen 2.828 N/A ASN 66.A ND2 GLY 137.A O no hydrogen 2.924 N/A LEU 67.A N TRP 127.A O no hydrogen 2.874 N/A ILE 68.A N THR 53.A O no hydrogen 2.920 N/A ALA 69.A N PHE 125.A O no hydrogen 2.791 N/A ASN 70.A N THR 51.A O no hydrogen 2.898 N/A TRP 71.A N LEU 123.A O no hydrogen 2.873 N/A TRP 71.A NE1 TYR 117.A O no hydrogen 3.008 N/A ASP 75.A N ASP 120.A O no hydrogen 2.862 N/A ASN 77.A N ASP 75.A OD1 no hydrogen 2.756 N/A LYS 78.A N ASP 75.A O no hydrogen 3.080 N/A VAL 79.A N LYS 152.A O no hydrogen 2.822 N/A LEU 80.A N HIS 122.A O no hydrogen 2.832 N/A MET 81.A N GLY 155.A O no hydrogen 2.926 N/A ALA 82.A N ARG 124.A O no hydrogen 3.170 N/A GLY 83.A N LEU 157.A O no hydrogen 2.840 N/A ALA 84.A N ALA 126.A O no hydrogen 3.115 N/A HIS 85.A ND1 ASP 87.A O no hydrogen 2.993 N/A HIS 85.A ND1 ASP 87.A OD1 no hydrogen 2.936 N/A HIS 85.A NE2 ASP 97.A OD1 no hydrogen 3.043 N/A HIS 85.A NE2 ASP 160.A OD1 no hydrogen 3.047 N/A LEU 86.A N TRP 128.A O no hydrogen 2.831 N/A SER 88.A N ARG 27.A O no hydrogen 2.999 N/A SER 88.A OG VAL 89.A O no hydrogen 2.731 N/A SER 88.A OG GLY 92.A O no hydrogen 3.103 N/A SER 91.A OG.A HIS 245.A O no hydrogen 2.768 N/A SER 91.A OG.B HIS 245.A O no hydrogen 2.920 N/A ILE 95.A N ASP 249.A O no hydrogen 3.047 N/A ASN 96.A N ASP 249.A OD1 no hydrogen 2.729 N/A ASN 96.A ND2 SER 164.A OG no hydrogen 3.067 N/A ASN 96.A ND2 ASP 241.A OD2 no hydrogen 2.875 N/A ASP 97.A N ASP 249.A OD2 no hydrogen 2.996 N/A ASN 98.A ND2 HIS 85.A O no hydrogen 3.135 N/A ASN 98.A ND2 PHE 159.A O no hydrogen 2.901 N/A GLY 99.A N GLY 94.A O no hydrogen 2.862 N/A SER 100.A OG ASN 96.A O no hydrogen 2.689 N/A SER 100.A OG ASN 96.A OD1 no hydrogen 3.275 N/A SER 100.A OG ASN 98.A OD1 no hydrogen 3.527 N/A GLY 101.A N ASN 98.A OD1 no hydrogen 2.956 N/A SER 102.A N ASN 98.A O no hydrogen 3.012 N/A SER 102.A OG HIS 85.A O no hydrogen 2.975 N/A SER 102.A OG ASN 98.A O no hydrogen 3.066 N/A ALA 103.A N GLY 99.A O no hydrogen 2.764 N/A ALA 104.A N SER 100.A O no hydrogen 3.068 N/A VAL 105.A N GLY 101.A O no hydrogen 3.007 N/A LEU 106.A N SER 102.A O no hydrogen 2.924 N/A GLU 107.A N ALA 103.A O no hydrogen 2.863 N/A THR 108.A N ALA 104.A O no hydrogen 2.930 N/A THR 108.A OG1 ALA 104.A O no hydrogen 2.932 N/A ALA 109.A N VAL 105.A O no hydrogen 2.978 N/A LEU 110.A N LEU 106.A O no hydrogen 2.870 N/A ALA 111.A N GLU 107.A O no hydrogen 2.849 N/A VAL 112.A N THR 108.A O no hydrogen 2.974 N/A SER 113.A OG ALA 48.A O no hydrogen 2.750 N/A ARG 114.A N LEU 110.A O no hydrogen 2.918 N/A ARG 114.A NH1.A GLU 107.A OE2 no hydrogen 2.948 N/A ARG 114.A NH1.B GLU 107.A OE2 no hydrogen 3.015 N/A ARG 114.A NH2.A GLU 107.A OE2 no hydrogen 2.677 N/A ARG 114.A NH2.B GLU 107.A OE2 no hydrogen 2.743 N/A ALA 115.A N ALA 111.A O no hydrogen 2.941 N/A GLY 116.A N SER 113.A O no hydrogen 3.071 N/A TYR 117.A N VAL 112.A O no hydrogen 3.112 N/A TYR 117.A OH SER 274.A OG no hydrogen 2.724 N/A TYR 117.A OH SER 275.A OG no hydrogen 3.273 N/A LYS 121.A N SER 274.A O no hydrogen 2.918 N/A LYS 121.A NZ LEU 273.A O no hydrogen 2.875 N/A LYS 121.A NZ SER 275.A O no hydrogen 2.940 N/A HIS 122.A N LYS 78.A O no hydrogen 3.020 N/A HIS 122.A ND1 GLY 73.A O no hydrogen 2.765 N/A HIS 122.A NE2 ASN 70.A OD1 no hydrogen 2.658 N/A ARG 124.A N LEU 80.A O no hydrogen 3.034 N/A ARG 124.A NE ASN 70.A OD1 no hydrogen 2.832 N/A PHE 125.A N ALA 69.A O no hydrogen 2.846 N/A ALA 126.A N ALA 82.A O no hydrogen 2.892 N/A TRP 127.A N LEU 67.A O no hydrogen 2.883 N/A TRP 127.A NE1 SER 102.A O no hydrogen 3.063 N/A TRP 128.A N ALA 84.A O no hydrogen 3.104 N/A TRP 128.A NE1 TYR 156.A OH no hydrogen 2.895 N/A GLY 129.A N ASN 66.A OD1 no hydrogen 2.937 N/A GLU 131.A N ASP 87.A OD1 no hydrogen 3.018 N/A GLU 132.A N ASP 87.A OD2 no hydrogen 2.916 N/A LEU 133.A N ALA 130.A O no hydrogen 3.136 N/A GLY 134.A N GLU 131.A O no hydrogen 2.971 N/A LEU 135.A N GLU 131.A O no hydrogen 2.934 N/A ILE 136.A N ALA 130.A O no hydrogen 3.147 N/A GLY 137.A N GLY 129.A O no hydrogen 3.022 N/A SER 138.A OG LEU 135.A O no hydrogen 3.420 N/A SER 138.A OG ASP 202.A OD1 no hydrogen 2.659 N/A LYS 139.A N LEU 135.A O no hydrogen 2.931 N/A PHE 140.A N ILE 136.A O no hydrogen 2.925 N/A TYR 141.A N GLY 137.A O no hydrogen 2.920 N/A VAL 142.A N SER 138.A O no hydrogen 2.949 N/A ASN 143.A N LYS 139.A O no hydrogen 2.801 N/A ASN 144.A N PHE 140.A O no hydrogen 2.974 N/A ASN 144.A N TYR 141.A O no hydrogen 3.228 N/A ASN 144.A ND2 PHE 140.A O no hydrogen 2.857 N/A LEU 145.A N VAL 142.A O no hydrogen 3.210 N/A ARG 150.A N PRO 146.A O no hydrogen 2.859 N/A SER 151.A N SER 147.A O no hydrogen 3.045 N/A SER 151.A OG.A SER 147.A O no hydrogen 3.168 N/A SER 151.A OG.B ALA 148.A O no hydrogen 2.860 N/A LYS 152.A N ASP 149.A O no hydrogen 3.077 N/A LYS 152.A NZ.A ASP 149.A OD1.A no hydrogen 2.496 N/A LYS 152.A NZ.A ASP 149.A OD1.B no hydrogen 2.870 N/A LYS 152.A NZ.B ASN 77.A OD1 no hydrogen 2.718 N/A LEU 153.A N ARG 150.A O no hydrogen 3.053 N/A ALA 154.A N VAL 79.A O no hydrogen 2.731 N/A TYR 156.A N PRO 212.A O no hydrogen 2.827 N/A TYR 156.A OH ASN 158.A OD1 no hydrogen 2.700 N/A LEU 157.A N MET 81.A O no hydrogen 2.882 N/A ASN 158.A N GLY 214.A O no hydrogen 2.856 N/A ASN 158.A ND2 TYR 172.A OH no hydrogen 2.915 N/A ASN 158.A ND2 SER 201.A OG no hydrogen 2.888 N/A PHE 159.A N GLY 83.A O no hydrogen 3.023 N/A MET 161.A N ASN 98.A OD1 no hydrogen 2.885 N/A ILE 162.A N SER 100.A OG no hydrogen 2.982 N/A GLY 163.A N ASN 96.A OD1 no hydrogen 2.908 N/A SER 164.A N THR 218.A OG1 no hydrogen 2.956 N/A SER 164.A OG THR 218.A OG1 no hydrogen 2.713 N/A SER 164.A OG GLY 219.A O no hydrogen 2.688 N/A ASN 166.A N PHE 240.A O no hydrogen 3.000 N/A ASN 166.A ND2 THR 235.A O no hydrogen 2.979 N/A ASN 166.A ND2 ALA 239.A O no hydrogen 3.113 N/A GLY 168.A N THR 218.A O no hydrogen 2.992 N/A PHE 170.A N PHE 217.A O no hydrogen 2.885 N/A VAL 171.A N GLU 194.A O no hydrogen 2.949 N/A TYR 172.A N GLY 215.A O no hydrogen 2.903 N/A ASP 175.A N VAL 213.A O no hydrogen 3.030 N/A ILE 178.A N ASP 175.A OD2 no hydrogen 3.017 N/A GLU 179.A N ASP 175.A O no hydrogen 2.987 N/A LYS 180.A N PRO 176.A O no hydrogen 2.945 N/A LYS 180.A NZ.A ASN 184.A OD1 no hydrogen 3.118 N/A LYS 180.A NZ.B ASN 184.A OD1 no hydrogen 2.902 N/A THR 181.A N VAL 177.A O no hydrogen 3.038 N/A THR 181.A OG1.A VAL 177.A O no hydrogen 2.640 N/A PHE 182.A N ILE 178.A O no hydrogen 3.155 N/A LYS 183.A N GLU 179.A O no hydrogen 2.877 N/A ASN 184.A N LYS 180.A O no hydrogen 2.787 N/A TYR 185.A N THR 181.A O no hydrogen 3.285 N/A PHE 186.A N PHE 182.A O no hydrogen 3.206 N/A ALA 187.A N LYS 183.A O no hydrogen 2.901 N/A GLY 188.A N ASN 184.A O no hydrogen 3.115 N/A LEU 189.A N TYR 185.A O no hydrogen 3.317 N/A LEU 189.A N PHE 186.A O no hydrogen 2.953 N/A ASN 190.A N ALA 187.A O no hydrogen 2.960 N/A VAL 191.A N PHE 186.A O no hydrogen 3.098 N/A GLU 194.A N TYR 169.A O no hydrogen 2.958 N/A GLU 196.A N VAL 171.A O no hydrogen 3.195 N/A GLY 199.A N HIS 203.A NE2 no hydrogen 3.105 N/A SER 201.A N GLY 199.A O no hydrogen 3.084 N/A SER 201.A OG ASP 160.A OD2 no hydrogen 2.628 N/A ASP 202.A N SER 201.A OG no hydrogen 2.719 N/A ALA 204.A N SER 201.A O no hydrogen 2.948 N/A LYS 207.A N HIS 203.A O no hydrogen 2.851 N/A LYS 207.A NZ ASP 174.A OD1 no hydrogen 2.762 N/A ASN 208.A N ALA 204.A O no hydrogen 2.902 N/A VAL 209.A N PHE 206.A O no hydrogen 3.046 N/A GLY 210.A N LYS 207.A O no hydrogen 3.009 N/A VAL 211.A N PHE 206.A O no hydrogen 3.064 N/A GLY 214.A N TYR 156.A O no hydrogen 3.147 N/A LEU 216.A N ASN 158.A O no hydrogen 3.304 N/A PHE 217.A N PHE 170.A O no hydrogen 3.029 N/A THR 218.A N MET 161.A O no hydrogen 2.904 N/A THR 218.A OG1 MET 161.A O no hydrogen 3.175 N/A THR 218.A OG1 SER 164.A OG no hydrogen 2.713 N/A ALA 220.A N GLU 198.A OE1 no hydrogen 2.931 N/A ALA 220.A N GLU 198.A OE2 no hydrogen 3.243 N/A TYR 222.A N GLU 198.A OE2 no hydrogen 2.917 N/A LYS 224.A N GLN 238.A O no hydrogen 2.910 N/A LYS 224.A NZ ASN 166.A OD1 no hydrogen 2.809 N/A LYS 224.A NZ PRO 167.A O no hydrogen 2.765 N/A LYS 224.A NZ GLY 233.A O no hydrogen 2.810 N/A SER 225.A N GLN 228.A OE1 no hydrogen 2.950 N/A GLN 228.A N SER 225.A OG no hydrogen 2.989 N/A GLN 228.A NE2 GLU 194.A OE1 no hydrogen 2.857 N/A ALA 229.A N SER 225.A O no hydrogen 2.903 N/A GLN 230.A N ALA 226.A O no hydrogen 3.030 N/A LYS 231.A N ALA 227.A O no hydrogen 3.073 N/A LYS 231.A NZ.A GLU 194.A OE2 no hydrogen 2.589 N/A LYS 231.A NZ.B GLU 194.A OE2 no hydrogen 2.878 N/A TRP 232.A N GLN 228.A O no hydrogen 2.883 N/A TRP 232.A NE1 PRO 192.A O no hydrogen 2.766 N/A GLY 233.A N ALA 229.A O no hydrogen 2.777 N/A THR 235.A N ASN 166.A OD1 no hydrogen 2.882 N/A GLY 237.A N LYS 224.A O no hydrogen 2.919 N/A GLN 238.A N THR 235.A O no hydrogen 3.414 N/A PHE 240.A N TYR 222.A O no hydrogen 3.057 N/A ASP 241.A N ALA 220.A O no hydrogen 2.863 N/A CYS 243.A N ASP 241.A OD1 no hydrogen 2.778 N/A CYS 243.A SG CYS 248.A O no hydrogen 3.392 N/A TYR 244.A N ASP 241.A O no hydrogen 3.381 N/A HIS 245.A NE2 GLU 132.A OE2 no hydrogen 3.171 N/A SER 246.A N CYS 243.A O no hydrogen 2.933 N/A SER 246.A OG TYR 244.A O no hydrogen 2.948 N/A SER 247.A OG.B SER 91.A O no hydrogen 2.970 N/A ASP 249.A N SER 246.A O no hydrogen 3.075 N/A SER 250.A OG CYS 248.A O no hydrogen 3.386 N/A SER 252.A N SER 250.A OG no hydrogen 3.168 N/A SER 252.A OG.A SER 250.A OG no hydrogen 2.792 N/A ASN 253.A N SER 250.A O no hydrogen 2.867 N/A ASN 253.A ND2 ASP 241.A OD1 no hydrogen 2.933 N/A ASN 253.A ND2 ASP 241.A OD2 no hydrogen 3.223 N/A ASN 253.A ND2 ASP 249.A OD1 no hydrogen 2.896 N/A ASN 255.A N GLY 163.A O no hydrogen 2.812 N/A ALA 258.A N ASN 255.A OD1 no hydrogen 2.845 N/A LEU 259.A N ASN 255.A O no hydrogen 2.973 N/A ASP 260.A N ASP 256.A O no hydrogen 2.861 N/A ARG 261.A N THR 257.A O no hydrogen 2.903 N/A ARG 261.A NH1 TYR 169.A OH no hydrogen 3.113 N/A ASN 262.A N ALA 258.A O no hydrogen 2.882 N/A ASN 262.A ND2 ILE 162.A O no hydrogen 3.142 N/A ASN 262.A ND2 ALA 258.A O no hydrogen 3.184 N/A SER 263.A N LEU 259.A O no hydrogen 2.929 N/A SER 263.A OG LEU 259.A O no hydrogen 2.780 N/A ASP 264.A N ASP 260.A O no hydrogen 2.884 N/A ALA 265.A N ARG 261.A O no hydrogen 2.847 N/A ALA 266.A N ASN 262.A O no hydrogen 2.864 N/A ALA 267.A N SER 263.A O no hydrogen 3.117 N/A HIS 268.A N ASP 264.A O no hydrogen 2.914 N/A ALA 269.A N ALA 265.A O no hydrogen 2.882 N/A ILE 270.A N ALA 266.A O no hydrogen 2.895 N/A TRP 271.A N ALA 267.A O no hydrogen 2.937 N/A THR 272.A N HIS 268.A O no hydrogen 2.935 N/A THR 272.A OG1 HIS 268.A O no hydrogen 2.873 N/A LEU 273.A N ALA 269.A O no hydrogen 2.855 N/A SER 274.A N TRP 271.A O no hydrogen 3.261 N/A SER 274.A OG TYR 117.A OH no hydrogen 2.724 N/A SER 274.A OG ILE 270.A O no hydrogen 2.628 N/A SER 274.A OG TRP 271.A O no hydrogen 3.208 N/A SER 275.A OG TYR 117.A OH no hydrogen 3.273 N/A