Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xbu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG GLN 1.A O no hydrogen 3.352 N/A HIS 5.A N GLN 1.A O no hydrogen 3.115 N/A HIS 5.A NE2 ASP 93.A OD1 no hydrogen 3.063 N/A GLU 6.A N ARG 2.A O no hydrogen 3.002 N/A GLN 7.A N VAL 3.A O no hydrogen 3.075 N/A PHE 8.A N SER 4.A O no hydrogen 2.902 N/A ARG 9.A N HIS 5.A O no hydrogen 2.861 N/A ARG 9.A NE GLY 92.A O no hydrogen 3.029 N/A ARG 9.A NH2 GLY 92.A O no hydrogen 2.336 N/A ALA 10.A N GLU 6.A O no hydrogen 2.926 N/A ALA 11.A N GLN 7.A O no hydrogen 2.896 N/A LEU 12.A N PHE 8.A O no hydrogen 2.901 N/A GLN 13.A N ARG 9.A O no hydrogen 2.963 N/A LEU 14.A N ALA 11.A O no hydrogen 2.947 N/A VAL 15.A N LEU 12.A O no hydrogen 2.923 N/A VAL 16.A N LEU 12.A O no hydrogen 3.129 N/A ASP 17.A N SER 88.A O no hydrogen 2.735 N/A ARG 22.A N ASP 20.A OD1 no hydrogen 3.113 N/A ARG 22.A NE ASP 20.A OD1 no hydrogen 2.827 N/A ARG 22.A NE ASP 20.A OD2 no hydrogen 3.382 N/A ARG 22.A NH2 ASP 20.A OD1 no hydrogen 3.510 N/A ARG 22.A NH2 ASP 20.A OD2 no hydrogen 2.772 N/A SER 23.A N ASP 20.A O no hydrogen 3.451 N/A SER 23.A OG ASP 20.A O no hydrogen 2.991 N/A TYR 24.A N PRO 21.A O no hydrogen 2.916 N/A TYR 24.A OH TYR 89.A OH no hydrogen 2.548 N/A LEU 25.A N PRO 21.A O no hydrogen 3.158 N/A ASP 26.A N THR 43.A O no hydrogen 2.889 N/A ILE 29.A N ILE 41.A O no hydrogen 2.883 N/A LYS 30.A NZ GLU 33.A OE1 no hydrogen 2.998 N/A ILE 31.A N VAL 39.A O no hydrogen 2.857 N/A GLY 32.A N VAL 39.A O no hydrogen 3.263 N/A GLY 34.A N GLY 37.A O no hydrogen 2.793 N/A ILE 38.A N LYS 55.A O no hydrogen 3.101 N/A VAL 39.A N GLY 32.A O no hydrogen 2.953 N/A CYS 40.A N VAL 53.A O no hydrogen 2.849 N/A ILE 41.A N ILE 29.A O no hydrogen 2.772 N/A ALA 42.A N VAL 51.A O no hydrogen 2.815 N/A THR 43.A N ASP 26.A O no hydrogen 2.791 N/A VAL 44.A N LYS 49.A O no hydrogen 2.834 N/A ARG 45.A N TYR 24.A O no hydrogen 2.830 N/A ARG 45.A NH1 ARG 45.A O no hydrogen 3.008 N/A SER 47.A N VAL 44.A O no hydrogen 3.338 N/A SER 47.A OG VAL 44.A O no hydrogen 3.564 N/A GLY 48.A N VAL 44.A O no hydrogen 2.893 N/A LYS 49.A N SER 47.A OG no hydrogen 3.161 N/A VAL 51.A N ALA 42.A O no hydrogen 2.933 N/A ALA 52.A N MET 99.A O no hydrogen 2.749 N/A VAL 53.A N CYS 40.A O no hydrogen 2.762 N/A LYS 54.A N VAL 97.A O no hydrogen 2.878 N/A LYS 54.A NZ ASP 162.A OD1 no hydrogen 3.452 N/A LYS 55.A N ILE 38.A O no hydrogen 2.770 N/A MET 56.A N LEU 95.A O no hydrogen 2.873 N/A LEU 58.A N ASP 93.A O no hydrogen 2.867 N/A ARG 59.A N ASP 57.A OD1 no hydrogen 2.936 N/A ARG 59.A NH1 ASP 93.A OD2 no hydrogen 2.464 N/A LYS 60.A N ASP 57.A O no hydrogen 3.040 N/A GLN 61.A NE2 THR 36.A O no hydrogen 3.030 N/A GLN 61.A NE2 ASP 57.A O no hydrogen 3.056 N/A ARG 63.A NE GLU 65.A OE2 no hydrogen 3.049 N/A ARG 63.A NH2 GLU 65.A OE2 no hydrogen 3.245 N/A ARG 64.A NH1 SER 4.A OG no hydrogen 3.349 N/A ARG 64.A NH2 SER 4.A OG no hydrogen 3.066 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.823 N/A LEU 66.A N ARG 63.A O no hydrogen 2.972 N/A LEU 67.A N ARG 64.A O no hydrogen 3.125 N/A PHE 68.A N GLU 65.A O no hydrogen 3.045 N/A ASN 69.A N LEU 66.A O no hydrogen 2.911 N/A VAL 72.A N ASN 69.A O no hydrogen 3.070 N/A ILE 73.A N ASN 69.A O no hydrogen 2.718 N/A MET 74.A N GLU 70.A O no hydrogen 2.803 N/A ARG 75.A N VAL 72.A O no hydrogen 3.250 N/A ARG 75.A NH2 VAL 15.A O no hydrogen 2.404 N/A TYR 77.A N MET 74.A O no hydrogen 3.015 N/A ASN 81.A N HIS 79.A ND1 no hydrogen 2.962 N/A ASN 81.A ND2 VAL 158.A O no hydrogen 3.015 N/A VAL 82.A N HIS 79.A O no hydrogen 3.168 N/A VAL 83.A N LEU 160.A O no hydrogen 2.900 N/A GLU 84.A N GLU 100.A OE1 no hydrogen 2.838 N/A TYR 86.A N VAL 98.A O no hydrogen 2.757 N/A ASN 87.A N VAL 98.A O no hydrogen 3.344 N/A ASN 87.A ND2 ASP 17.A OD2 no hydrogen 2.211 N/A SER 88.A N ASP 17.A OD2 no hydrogen 2.987 N/A TYR 89.A N TRP 96.A O no hydrogen 2.864 N/A TYR 89.A OH TYR 24.A OH no hydrogen 2.548 N/A VAL 91.A N GLU 94.A O no hydrogen 2.774 N/A GLU 94.A N VAL 91.A O no hydrogen 2.799 N/A LEU 95.A N MET 56.A O no hydrogen 2.939 N/A TRP 96.A N TYR 89.A O no hydrogen 2.926 N/A TRP 96.A NE1 GLU 94.A OE1 no hydrogen 2.928 N/A VAL 97.A N LYS 54.A O no hydrogen 2.925 N/A VAL 98.A N ASN 87.A O no hydrogen 2.863 N/A MET 99.A N ALA 52.A O no hydrogen 2.728 N/A GLU 100.A N GLU 84.A O no hydrogen 2.962 N/A GLU 103.A N GLU 103.A OE2 no hydrogen 2.710 N/A GLY 104.A N LEU 152.A O no hydrogen 2.704 N/A GLY 105.A N LEU 102.A O no hydrogen 3.099 N/A LEU 107.A N ILE 150.A O no hydrogen 2.903 N/A THR 108.A OG1 SER 147.A OG no hydrogen 2.735 N/A VAL 111.A N LEU 107.A O no hydrogen 3.002 N/A THR 112.A N THR 108.A O no hydrogen 3.102 N/A THR 112.A OG1 THR 108.A O no hydrogen 3.128 N/A THR 112.A OG1 HIS 113.A ND1 no hydrogen 3.391 N/A HIS 113.A N ILE 110.A O no hydrogen 2.999 N/A HIS 113.A ND1 ASP 109.A O no hydrogen 2.822 N/A THR 114.A N ILE 110.A O no hydrogen 2.826 N/A THR 114.A OG1 ILE 110.A O no hydrogen 3.411 N/A ARG 115.A NH1 THR 114.A O no hydrogen 3.221 N/A ASN 117.A N GLN 120.A OE1 no hydrogen 2.907 N/A GLN 120.A N ASN 117.A OD1 no hydrogen 2.822 N/A GLN 120.A NE2 SER 283.A O no hydrogen 2.832 N/A ILE 121.A N ASN 117.A O no hydrogen 2.837 N/A ALA 122.A N GLU 118.A O no hydrogen 2.860 N/A ALA 123.A N GLU 119.A O no hydrogen 3.087 N/A VAL 124.A N GLN 120.A O no hydrogen 3.086 N/A CYS 125.A N ILE 121.A O no hydrogen 2.873 N/A CYS 125.A SG ILE 121.A O no hydrogen 3.318 N/A LEU 126.A N ALA 122.A O no hydrogen 2.853 N/A ALA 127.A N ALA 123.A O no hydrogen 3.093 N/A VAL 128.A N VAL 124.A O no hydrogen 2.976 N/A LEU 129.A N CYS 125.A O no hydrogen 2.876 N/A GLN 130.A N LEU 126.A O no hydrogen 2.769 N/A ALA 131.A N ALA 127.A O no hydrogen 3.080 N/A LEU 132.A N VAL 128.A O no hydrogen 2.789 N/A SER 133.A N LEU 129.A O no hydrogen 2.817 N/A SER 133.A OG LEU 129.A O no hydrogen 3.305 N/A SER 133.A OG GLN 130.A O no hydrogen 2.632 N/A VAL 134.A N GLN 130.A O no hydrogen 3.414 N/A LEU 135.A N ALA 131.A O no hydrogen 2.960 N/A HIS 136.A N LEU 132.A O no hydrogen 2.832 N/A HIS 136.A NE2 ASP 200.A OD2 no hydrogen 2.852 N/A ALA 137.A N SER 133.A O no hydrogen 2.908 N/A GLN 138.A N LEU 135.A O no hydrogen 3.113 N/A GLY 139.A N HIS 136.A O no hydrogen 3.184 N/A VAL 140.A N LEU 135.A O no hydrogen 2.988 N/A ILE 141.A N ALA 167.A O no hydrogen 2.940 N/A HIS 142.A N ASP 200.A OD2 no hydrogen 2.899 N/A HIS 142.A NE2 SER 161.A O no hydrogen 2.592 N/A ARG 143.A N ASP 200.A OD1 no hydrogen 2.923 N/A ARG 143.A NE PHE 165.A O no hydrogen 2.643 N/A ARG 143.A NH1 TYR 195.A OH no hydrogen 2.853 N/A ARG 143.A NH2 PHE 165.A O no hydrogen 2.930 N/A ASP 144.A N HIS 142.A ND1 no hydrogen 3.029 N/A LYS 146.A NZ THR 181.A OG1 no hydrogen 2.495 N/A SER 147.A N GLU 210.A OE1 no hydrogen 2.943 N/A SER 147.A OG THR 108.A OG1 no hydrogen 2.735 N/A SER 147.A OG ASP 148.A OD2 no hydrogen 3.543 N/A SER 147.A OG GLU 210.A OE1 no hydrogen 3.535 N/A SER 147.A OG GLU 210.A OE2 no hydrogen 2.627 N/A SER 149.A N LYS 146.A O no hydrogen 2.924 N/A SER 149.A OG ASP 144.A O no hydrogen 2.756 N/A ILE 150.A N SER 147.A O no hydrogen 3.112 N/A LEU 151.A N LYS 159.A O no hydrogen 2.799 N/A LEU 152.A N GLY 105.A O no hydrogen 2.778 N/A THR 153.A N ARG 157.A O no hydrogen 2.902 N/A THR 153.A OG1 ASP 155.A OD1 no hydrogen 2.538 N/A HIS 154.A N GLU 103.A OE1 no hydrogen 2.853 N/A HIS 154.A ND1 GLU 103.A OE1 no hydrogen 2.985 N/A GLY 156.A N THR 153.A O no hydrogen 3.058 N/A ARG 157.A N THR 153.A OG1 no hydrogen 3.004 N/A ARG 157.A NH1 ASP 155.A OD2 no hydrogen 3.092 N/A LYS 159.A N LEU 151.A O no hydrogen 2.838 N/A LYS 159.A NZ GLU 100.A OE1 no hydrogen 3.019 N/A LYS 159.A NZ GLU 100.A OE2 no hydrogen 2.975 N/A LEU 160.A N ASN 81.A O no hydrogen 2.862 N/A SER 161.A N SER 149.A O no hydrogen 2.921 N/A CYS 166.A N PHE 163.A O no hydrogen 2.847 N/A CYS 166.A SG PHE 163.A O no hydrogen 3.143 N/A ALA 167.A N ILE 141.A O no hydrogen 2.842 N/A GLN 168.A NE2 GLN 138.A O no hydrogen 2.866 N/A GLN 168.A NE2 VAL 169.A O no hydrogen 2.797 N/A VAL 169.A N GLY 139.A O no hydrogen 2.802 N/A SER 170.A N VAL 173.A O no hydrogen 2.881 N/A SER 170.A OG GLU 172.A OE2 no hydrogen 3.304 N/A VAL 173.A N SER 170.A OG no hydrogen 3.214 N/A ARG 175.A NH2 GLU 198.A OE2 no hydrogen 3.032 N/A ARG 176.A N TYR 195.A O no hydrogen 3.060 N/A THR 181.A OG1 ASP 144.A OD1 no hydrogen 2.671 N/A TYR 183.A OH GLU 221.A O no hydrogen 2.858 N/A TRP 184.A N THR 181.A O no hydrogen 2.874 N/A TRP 184.A NE1 GLU 210.A OE1 no hydrogen 2.807 N/A MET 185.A N PRO 182.A O no hydrogen 3.239 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.790 N/A ILE 190.A N ALA 186.A O no hydrogen 2.945 N/A SER 191.A N PRO 187.A O no hydrogen 2.908 N/A SER 191.A OG PRO 187.A O no hydrogen 3.333 N/A ARG 192.A N LEU 189.A O no hydrogen 3.128 N/A LEU 193.A N GLU 188.A O no hydrogen 3.135 N/A TYR 195.A N ARG 176.A O no hydrogen 2.953 N/A VAL 199.A N GLY 196.A O no hydrogen 3.188 N/A ASP 200.A N PRO 197.A O no hydrogen 3.139 N/A TRP 202.A N GLU 198.A O no hydrogen 3.274 N/A SER 203.A N VAL 199.A O no hydrogen 3.146 N/A SER 203.A OG TRP 184.A O no hydrogen 2.786 N/A SER 203.A OG VAL 199.A O no hydrogen 3.236 N/A LEU 204.A N ASP 200.A O no hydrogen 2.911 N/A GLY 205.A N ILE 201.A O no hydrogen 3.135 N/A ILE 206.A N TRP 202.A O no hydrogen 3.117 N/A MET 207.A N SER 203.A O no hydrogen 3.010 N/A VAL 208.A N LEU 204.A O no hydrogen 2.790 N/A ILE 209.A N GLY 205.A O no hydrogen 2.973 N/A GLU 210.A N ILE 206.A O no hydrogen 2.809 N/A MET 211.A N MET 207.A O no hydrogen 2.918 N/A VAL 212.A N VAL 208.A O no hydrogen 3.062 N/A VAL 212.A N ILE 209.A O no hydrogen 3.168 N/A ASP 213.A N ILE 209.A O no hydrogen 2.847 N/A GLY 214.A N GLU 210.A O no hydrogen 2.786 N/A GLU 221.A N TYR 218.A O no hydrogen 3.205 N/A ALA 226.A N PRO 222.A O no hydrogen 3.003 N/A MET 227.A N PRO 223.A O no hydrogen 2.936 N/A LYS 228.A N LEU 224.A O no hydrogen 3.202 N/A MET 229.A N LYS 225.A O no hydrogen 2.897 N/A ILE 230.A N ALA 226.A O no hydrogen 3.012 N/A ARG 231.A N MET 227.A O no hydrogen 3.063 N/A ARG 231.A NE ASP 232.A OD1 no hydrogen 2.771 N/A ARG 231.A NH2 ASP 232.A OD1 no hydrogen 3.323 N/A ARG 231.A NH2 ASP 232.A OD2 no hydrogen 3.375 N/A ASP 232.A N LYS 228.A O no hydrogen 2.970 N/A ASN 233.A N MET 229.A O no hydrogen 2.725 N/A ASN 233.A ND2 TYR 218.A OH no hydrogen 3.406 N/A LYS 239.A N ASP 213.A OD2 no hydrogen 2.951 N/A ASN 240.A N ASP 213.A OD1 no hydrogen 2.879 N/A ASN 240.A ND2 ASP 213.A OD1 no hydrogen 3.147 N/A LYS 243.A N ASN 240.A O no hydrogen 2.961 N/A VAL 244.A N LEU 241.A O no hydrogen 3.153 N/A SER 245.A N GLU 118.A OE2 no hydrogen 2.810 N/A SER 245.A OG GLU 118.A OE1 no hydrogen 2.571 N/A SER 245.A OG SER 247.A OG no hydrogen 3.051 N/A SER 247.A OG SER 245.A OG no hydrogen 3.051 N/A LEU 248.A N SER 245.A OG no hydrogen 3.095 N/A LYS 249.A N SER 245.A O no hydrogen 3.008 N/A LYS 249.A NZ ASP 253.A OD1 no hydrogen 3.219 N/A GLY 250.A N PRO 246.A O no hydrogen 3.035 N/A PHE 251.A N SER 247.A O no hydrogen 3.025 N/A LEU 252.A N LEU 248.A O no hydrogen 2.903 N/A ASP 253.A N LYS 249.A O no hydrogen 2.955 N/A ARG 254.A N PHE 251.A O no hydrogen 2.878 N/A ARG 254.A NH1 GLN 262.A O no hydrogen 2.867 N/A ARG 254.A NH2 GLN 262.A O no hydrogen 3.132 N/A LEU 255.A N LEU 252.A O no hydrogen 3.048 N/A LEU 256.A N LEU 252.A O no hydrogen 3.054 N/A ARG 258.A NH1 ILE 230.A O no hydrogen 3.087 N/A ARG 258.A NH1 ARG 231.A O no hydrogen 2.969 N/A ARG 258.A NH2 ARG 231.A O no hydrogen 2.727 N/A ALA 261.A N ASP 259.A OD1 no hydrogen 3.028 N/A GLN 262.A N ASP 259.A O no hydrogen 2.978 N/A ARG 263.A N ASP 259.A O no hydrogen 3.274 N/A ARG 263.A NE VAL 257.A O no hydrogen 2.804 N/A ARG 263.A NH1 GLU 188.A OE2 no hydrogen 2.777 N/A ARG 263.A NH1 GLU 198.A O no hydrogen 2.715 N/A ARG 263.A NH2 GLU 188.A OE1 no hydrogen 2.994 N/A ARG 263.A NH2 VAL 257.A O no hydrogen 2.893 N/A ALA 264.A N ARG 254.A O no hydrogen 2.982 N/A THR 265.A N GLU 268.A OE1 no hydrogen 2.993 N/A GLU 268.A N THR 265.A OG1 no hydrogen 3.035 N/A LEU 269.A N THR 265.A O no hydrogen 2.930 N/A LEU 270.A N ALA 266.A O no hydrogen 2.901 N/A LYS 271.A N GLU 268.A O no hydrogen 2.898 N/A HIS 272.A N LEU 269.A O no hydrogen 3.054 N/A PHE 274.A N HIS 272.A ND1 no hydrogen 3.043 N/A LEU 275.A N HIS 272.A O no hydrogen 3.011 N/A ALA 276.A N PRO 273.A O no hydrogen 3.119 N/A LYS 277.A N PHE 274.A O no hydrogen 3.030 N/A LYS 277.A NZ GLU 118.A OE1 no hydrogen 2.651 N/A ALA 278.A N LEU 275.A O no hydrogen 2.894 N/A GLY 279.A N GLU 119.A O no hydrogen 3.165 N/A SER 283.A N PRO 280.A O no hydrogen 2.787 N/A SER 283.A OG PRO 280.A O no hydrogen 2.675 N/A ILE 284.A N PRO 281.A O no hydrogen 3.114 N/A VAL 285.A N ALA 282.A O no hydrogen 3.226 N/A LEU 287.A N ILE 284.A O no hydrogen 2.982 N/A MET 288.A N VAL 285.A O no hydrogen 3.084 N/A ARG 289.A NH2 ASP 109.A OD1 no hydrogen 2.822 N/A ASN 291.A N MET 288.A O no hydrogen 2.835 N/A ASN 291.A ND2 VAL 285.A O no hydrogen 2.667 N/A ARG 292.A N ARG 289.A O no hydrogen 3.409 N/A ARG 292.A NH1 ASP 109.A OD2 no hydrogen 3.145 N/A ARG 292.A NH2 ASP 109.A OD2 no hydrogen 3.320 N/A ARG 292.A NH2 LEU 287.A O no hydrogen 2.737 N/A