Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xbu_K.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N HIS 27.A O no hydrogen 2.792 N/A SER 6.A OG PRO 4.A O no hydrogen 3.476 N/A ARG 7.A N PRO 4.A O no hydrogen 3.482 N/A LEU 8.A N ILE 5.A O no hydrogen 2.845 N/A GLU 9.A N SER 6.A O no hydrogen 3.110 N/A GLN 10.A N ARG 7.A O no hydrogen 3.241 N/A GLN 10.A N GLN 10.A OE1 no hydrogen 2.465 N/A CYS 11.A N LEU 8.A O no hydrogen 3.249 N/A CYS 11.A SG ARG 7.A O no hydrogen 3.617 N/A GLY 12.A N GLU 9.A O no hydrogen 3.064 N/A ASP 17.A N ASN 14.A OD1 no hydrogen 3.065 N/A VAL 18.A N ASN 14.A O no hydrogen 3.386 N/A LYS 19.A N ALA 15.A O no hydrogen 2.994 N/A LYS 19.A NZ GLU 22.A OE1 no hydrogen 3.370 N/A LYS 19.A NZ GLU 22.A OE2 no hydrogen 3.550 N/A LYS 20.A N ASN 16.A O no hydrogen 3.130 N/A LYS 20.A NZ GLY 45.A O no hydrogen 2.540 N/A LEU 21.A N ASP 17.A O no hydrogen 3.158 N/A GLU 22.A N VAL 18.A O no hydrogen 3.048 N/A GLU 23.A N LYS 19.A O no hydrogen 2.985 N/A ALA 24.A N LYS 20.A O no hydrogen 2.930 N/A GLY 25.A N LEU 21.A O no hydrogen 2.982 N/A PHE 26.A N LEU 21.A O no hydrogen 2.809 N/A HIS 27.A N TYR 167.A OH no hydrogen 3.255 N/A VAL 29.A N GLN 3.A O no hydrogen 2.679 N/A ALA 31.A N THR 28.A O no hydrogen 3.062 N/A ALA 31.A N THR 28.A OG1 no hydrogen 3.121 N/A VAL 32.A N THR 28.A O no hydrogen 3.311 N/A ALA 33.A N VAL 29.A O no hydrogen 3.021 N/A TYR 34.A N GLU 30.A O no hydrogen 3.280 N/A LYS 37.A NZ ASP 52.A OD1 no hydrogen 2.717 N/A ILE 41.A N LYS 37.A O no hydrogen 3.261 N/A ASN 42.A N LYS 38.A O no hydrogen 3.185 N/A ILE 43.A N LEU 40.A O no hydrogen 3.305 N/A ALA 51.A N SER 47.A O no hydrogen 3.092 N/A ASP 52.A N GLU 48.A O no hydrogen 3.029 N/A LYS 53.A N ALA 49.A O no hydrogen 3.153 N/A ILE 54.A N LYS 50.A O no hydrogen 3.155 N/A LEU 55.A N ALA 51.A O no hydrogen 3.083 N/A ALA 56.A N ASP 52.A O no hydrogen 3.024 N/A GLU 57.A N LYS 53.A O no hydrogen 3.113 N/A ALA 58.A N ILE 54.A O no hydrogen 2.876 N/A ALA 59.A N LEU 55.A O no hydrogen 3.156 N/A LYS 60.A N GLU 57.A O no hydrogen 3.264 N/A VAL 62.A N ALA 58.A O no hydrogen 2.980 N/A GLN 63.A NE2 GLN 76.A O no hydrogen 2.659 N/A ILE 64.A N ILE 79.A O no hydrogen 3.209 N/A THR 65.A N GLY 113.A O no hydrogen 2.303 N/A THR 65.A OG1 ASP 72.A OD2 no hydrogen 2.680 N/A THR 66.A N ASP 72.A OD1 no hydrogen 2.705 N/A THR 66.A OG1 ASP 72.A OD1 no hydrogen 2.624 N/A GLY 67.A N THR 65.A OG1 no hydrogen 3.144 N/A SER 68.A N THR 66.A OG1 no hydrogen 3.128 N/A SER 68.A OG ASP 280.A OD1 no hydrogen 2.043 N/A LYS 69.A N ASP 280.A OD2 no hydrogen 2.368 N/A GLU 70.A N ASP 280.A OD1 no hydrogen 2.638 N/A GLU 70.A N ASP 280.A OD2 no hydrogen 3.351 N/A LEU 71.A N SER 68.A OG no hydrogen 3.367 N/A ASP 72.A N SER 68.A O no hydrogen 2.721 N/A LYS 73.A N LYS 69.A O no hydrogen 2.893 N/A LEU 74.A N GLU 70.A O no hydrogen 2.901 N/A LEU 75.A N LEU 71.A O no hydrogen 2.891 N/A GLN 76.A N LYS 73.A O no hydrogen 3.098 N/A GLY 77.A N ASP 72.A O no hydrogen 2.585 N/A GLY 82.A N VAL 223.A O no hydrogen 2.943 N/A SER 83.A OG GLU 80.A O no hydrogen 2.952 N/A THR 85.A N VAL 225.A O no hydrogen 3.134 N/A GLU 86.A N THR 242.A O no hydrogen 2.633 N/A PHE 88.A N LEU 244.A O no hydrogen 2.683 N/A THR 93.A OG1 GLU 90.A O no hydrogen 2.777 N/A LYS 95.A NZ GLY 89.A O no hydrogen 3.240 N/A THR 96.A OG1 ASP 184.A OD2 no hydrogen 3.231 N/A ILE 98.A N GLY 94.A O no hydrogen 2.730 N/A CYS 99.A N LYS 95.A O no hydrogen 2.906 N/A CYS 99.A SG LYS 95.A O no hydrogen 3.239 N/A HIS 100.A N THR 96.A O no hydrogen 2.895 N/A HIS 100.A ND1 THR 96.A O no hydrogen 2.755 N/A THR 101.A N GLN 97.A O no hydrogen 2.940 N/A THR 101.A OG1 GLN 97.A O no hydrogen 3.135 N/A LEU 102.A N ILE 98.A O no hydrogen 2.875 N/A ALA 103.A N CYS 99.A O no hydrogen 2.894 N/A VAL 104.A N THR 101.A O no hydrogen 3.166 N/A THR 105.A N THR 101.A O no hydrogen 3.196 N/A THR 105.A OG1 THR 65.A O no hydrogen 3.251 N/A THR 105.A OG1 THR 101.A O no hydrogen 3.471 N/A THR 105.A OG1 LEU 102.A O no hydrogen 3.328 N/A CYS 106.A N LEU 102.A O no hydrogen 3.157 N/A CYS 106.A SG LEU 102.A O no hydrogen 3.545 N/A CYS 106.A SG ALA 103.A O no hydrogen 3.215 N/A CYS 106.A SG GLY 117.A O no hydrogen 3.731 N/A GLN 107.A N VAL 104.A O no hydrogen 2.997 N/A GLN 107.A NE2 ALA 103.A O no hydrogen 3.579 N/A GLN 107.A NE2 VAL 147.A O no hydrogen 3.409 N/A LEU 108.A N THR 105.A O no hydrogen 2.858 N/A ILE 110.A N GLU 116.A OE2 no hydrogen 2.846 N/A ARG 112.A N PRO 109.A O no hydrogen 2.898 N/A ARG 112.A NH2 TYR 140.A O no hydrogen 3.021 N/A GLY 113.A N ILE 110.A O no hydrogen 3.015 N/A GLY 114.A N PRO 109.A O no hydrogen 2.821 N/A GLY 115.A N CYS 106.A O no hydrogen 2.829 N/A GLU 116.A N LEU 108.A O no hydrogen 3.164 N/A LYS 118.A N ARG 177.A O no hydrogen 2.846 N/A ALA 119.A N ASN 150.A O no hydrogen 3.139 N/A MET 120.A N LEU 180.A O no hydrogen 2.637 N/A TYR 121.A OH ASP 184.A OD2 no hydrogen 2.920 N/A ILE 122.A N ILE 182.A O no hydrogen 2.507 N/A ASP 123.A N ALA 154.A O no hydrogen 3.396 N/A THR 124.A OG1 ASP 184.A O no hydrogen 2.767 N/A THR 124.A OG1 SER 185.A O no hydrogen 3.086 N/A GLU 125.A N ASP 123.A OD1 no hydrogen 3.456 N/A GLU 125.A N ASP 123.A OD2 no hydrogen 3.174 N/A GLY 126.A N ASP 123.A OD2 no hydrogen 2.431 N/A THR 127.A N ASP 123.A OD1 no hydrogen 3.186 N/A THR 127.A OG1 ASP 123.A OD1 no hydrogen 3.449 N/A THR 127.A OG1 GLU 125.A OE1 no hydrogen 2.835 N/A THR 127.A OG1 ASP 184.A OD2 no hydrogen 2.825 N/A ARG 129.A N HIS 100.A NE2 no hydrogen 2.995 N/A ARG 129.A NH2 GLY 126.A O no hydrogen 2.708 N/A ARG 129.A NH2 PHE 128.A O no hydrogen 2.939 N/A ARG 132.A NH1 ASN 274.A O no hydrogen 3.126 N/A ARG 132.A NH2 ALA 275.A O no hydrogen 2.627 N/A LEU 133.A N ARG 129.A O no hydrogen 3.437 N/A LEU 134.A N PRO 130.A O no hydrogen 2.909 N/A ALA 135.A N GLU 131.A O no hydrogen 2.914 N/A VAL 136.A N ARG 132.A O no hydrogen 2.946 N/A ALA 137.A N LEU 133.A O no hydrogen 2.864 N/A GLU 138.A N LEU 134.A O no hydrogen 2.908 N/A ARG 139.A N ALA 135.A O no hydrogen 2.946 N/A ARG 139.A NH1 GLY 67.A O no hydrogen 2.692 N/A ARG 139.A NH2 VAL 278.A O no hydrogen 3.156 N/A TYR 140.A N VAL 136.A O no hydrogen 3.150 N/A GLY 141.A N GLU 138.A O no hydrogen 3.207 N/A LEU 142.A N ALA 137.A O no hydrogen 2.476 N/A SER 143.A OG SER 145.A OG no hydrogen 3.104 N/A SER 145.A OG SER 143.A OG no hydrogen 3.104 N/A VAL 147.A N SER 143.A O no hydrogen 2.933 N/A LEU 148.A N GLY 144.A O no hydrogen 3.094 N/A ASP 149.A N SER 145.A O no hydrogen 2.908 N/A ASN 150.A N VAL 147.A O no hydrogen 3.049 N/A ASN 150.A ND2 GLN 107.A OE1 no hydrogen 3.309 N/A VAL 151.A N LEU 148.A O no hydrogen 3.455 N/A ARG 155.A NH1 THR 124.A O no hydrogen 3.268 N/A ALA 156.A N ASP 123.A O no hydrogen 2.748 N/A PHE 157.A N HIS 161.A ND1 no hydrogen 3.088 N/A THR 159.A N ASP 193.A OD2 no hydrogen 2.687 N/A HIS 161.A N ASN 158.A OD1 no hydrogen 2.481 N/A GLN 162.A N ASN 158.A O no hydrogen 2.706 N/A GLN 162.A NE2 ALA 186.A O no hydrogen 3.333 N/A THR 163.A N THR 159.A O no hydrogen 2.890 N/A THR 163.A OG1 THR 159.A O no hydrogen 3.232 N/A THR 163.A OG1 HIS 206.A NE2 no hydrogen 3.088 N/A GLN 164.A N ASP 160.A O no hydrogen 2.854 N/A LEU 165.A N HIS 161.A O no hydrogen 3.182 N/A LEU 166.A N THR 163.A O no hydrogen 2.967 N/A TYR 167.A N GLN 164.A O no hydrogen 3.111 N/A TYR 167.A OH GLY 25.A O no hydrogen 2.354 N/A ALA 169.A N LEU 165.A O no hydrogen 2.722 N/A SER 170.A N LEU 166.A O no hydrogen 2.819 N/A SER 170.A OG LEU 166.A O no hydrogen 3.534 N/A SER 170.A OG TYR 167.A O no hydrogen 2.882 N/A MET 172.A N GLN 168.A O no hydrogen 2.909 N/A MET 173.A N ALA 169.A O no hydrogen 2.838 N/A VAL 174.A N ALA 171.A O no hydrogen 3.389 N/A ARG 177.A NE GLU 116.A O no hydrogen 3.213 N/A ARG 177.A NH1 GLY 115.A O no hydrogen 3.009 N/A ALA 179.A N LYS 118.A O no hydrogen 2.578 N/A LEU 181.A N ALA 224.A O no hydrogen 2.851 N/A ILE 182.A N MET 120.A O no hydrogen 2.439 N/A VAL 183.A N VAL 226.A O no hydrogen 2.882 N/A ASP 184.A N ILE 122.A O no hydrogen 3.059 N/A SER 185.A N THR 228.A OG1 no hydrogen 2.602 N/A SER 185.A OG GLU 125.A OE2 no hydrogen 2.550 N/A ALA 186.A N THR 228.A O no hydrogen 3.171 N/A THR 187.A OG1 ASN 229.A OD1 no hydrogen 2.689 N/A ALA 188.A N SER 185.A O no hydrogen 2.952 N/A TYR 190.A N THR 187.A O no hydrogen 3.295 N/A ARG 191.A N ALA 188.A O no hydrogen 3.048 N/A ARG 191.A NH1 GLN 230.A O no hydrogen 2.893 N/A ARG 191.A NH2 GLN 230.A O no hydrogen 3.026 N/A THR 192.A N ALA 188.A O no hydrogen 3.014 N/A THR 192.A OG1 ALA 188.A O no hydrogen 3.270 N/A THR 192.A OG1 LEU 189.A O no hydrogen 3.418 N/A THR 192.A OG1 ASP 193.A OD1 no hydrogen 3.317 N/A ASP 193.A N LEU 189.A O no hydrogen 2.878 N/A SER 195.A OG ARG 191.A O no hydrogen 2.736 N/A SER 195.A OG THR 192.A O no hydrogen 2.978 N/A LEU 200.A N ARG 197.A O no hydrogen 3.438 N/A ALA 202.A N GLU 199.A O no hydrogen 3.218 N/A ARG 203.A N GLU 199.A O no hydrogen 3.274 N/A GLN 204.A N LEU 200.A O no hydrogen 2.947 N/A MET 205.A N SER 201.A O no hydrogen 2.888 N/A HIS 206.A N ALA 202.A O no hydrogen 2.939 N/A LEU 207.A N ARG 203.A O no hydrogen 2.846 N/A ALA 208.A N GLN 204.A O no hydrogen 2.833 N/A ARG 209.A N MET 205.A O no hydrogen 2.966 N/A ARG 209.A NH1 ALA 24.A O no hydrogen 3.139 N/A ARG 209.A NH1 HIS 206.A ND1 no hydrogen 3.483 N/A PHE 210.A N HIS 206.A O no hydrogen 2.909 N/A LEU 211.A N LEU 207.A O no hydrogen 2.795 N/A ARG 212.A N ALA 208.A O no hydrogen 2.905 N/A MET 213.A N ARG 209.A O no hydrogen 2.912 N/A LEU 214.A N PHE 210.A O no hydrogen 2.881 N/A LEU 215.A N LEU 211.A O no hydrogen 2.875 N/A ARG 216.A N ARG 212.A O no hydrogen 2.882 N/A ARG 216.A NH2 GLU 30.A O no hydrogen 2.228 N/A LEU 217.A N MET 213.A O no hydrogen 2.907 N/A ALA 218.A N LEU 214.A O no hydrogen 2.868 N/A ASP 219.A N LEU 215.A O no hydrogen 2.947 N/A GLU 220.A N ARG 216.A O no hydrogen 2.842 N/A PHE 221.A N LEU 217.A O no hydrogen 2.912 N/A GLY 222.A N ALA 218.A O no hydrogen 2.875 N/A ALA 224.A N ALA 179.A O no hydrogen 3.125 N/A VAL 225.A N SER 83.A O no hydrogen 3.342 N/A VAL 226.A N LEU 181.A O no hydrogen 2.769 N/A THR 228.A N VAL 183.A O no hydrogen 3.092 N/A THR 228.A OG1 ASP 184.A OD1 no hydrogen 2.661 N/A VAL 231.A N GLY 89.A O no hydrogen 3.430 N/A ILE 236.A N GLY 233.A O no hydrogen 3.261 N/A ALA 237.A N ASN 234.A O no hydrogen 3.237 N/A SER 240.A N ILE 236.A O no hydrogen 2.459 N/A SER 240.A OG GLU 86.A OE1 no hydrogen 3.401 N/A SER 240.A OG ILE 236.A O no hydrogen 2.938 N/A SER 240.A OG ALA 237.A O no hydrogen 3.416 N/A THR 241.A N ILE 84.A O no hydrogen 3.150 N/A THR 241.A OG1 ILE 84.A O no hydrogen 2.744 N/A THR 241.A OG1 THR 242.A OG1 no hydrogen 3.402 N/A THR 242.A OG1 THR 241.A OG1 no hydrogen 3.402 N/A ARG 243.A N ASP 260.A O no hydrogen 3.255 N/A ARG 243.A NE GLU 86.A OE1 no hydrogen 3.480 N/A LEU 244.A N GLU 86.A O no hydrogen 2.584 N/A TYR 245.A N LYS 257.A O no hydrogen 2.364 N/A LEU 246.A N PHE 88.A O no hydrogen 3.369 N/A ARG 247.A N ILE 255.A O no hydrogen 2.897 N/A ARG 247.A NH1 GLU 268.A OE1 no hydrogen 3.263 N/A ARG 247.A NH1 GLU 268.A OE2 no hydrogen 2.967 N/A ARG 247.A NH2 GLU 268.A OE2 no hydrogen 3.083 N/A ARG 254.A N PHE 271.A O no hydrogen 2.690 N/A ARG 254.A NE ARG 92.A O no hydrogen 3.028 N/A ARG 254.A NH1 ARG 92.A O no hydrogen 2.840 N/A ARG 254.A NH2 GLU 252.A OE1 no hydrogen 3.190 N/A ILE 255.A N ARG 247.A O no hydrogen 2.886 N/A CYS 256.A N ALA 269.A O no hydrogen 3.099 N/A CYS 256.A SG TYR 245.A O no hydrogen 3.979 N/A LYS 257.A N TYR 245.A O no hydrogen 2.541 N/A ILE 258.A N ALA 267.A O no hydrogen 2.575 N/A TYR 259.A N ARG 243.A O no hydrogen 3.267 N/A LEU 264.A N SER 261.A OG no hydrogen 2.913 N/A GLU 266.A N GLU 266.A OE1 no hydrogen 2.791 N/A ALA 269.A N CYS 256.A O no hydrogen 2.973 N/A PHE 271.A N ARG 254.A O no hydrogen 3.029 N/A ALA 272.A N GLY 279.A O no hydrogen 2.309 N/A ILE 273.A N GLU 252.A O no hydrogen 3.044 N/A ASN 274.A N GLY 277.A O no hydrogen 2.575 N/A GLY 277.A N ASN 274.A O no hydrogen 2.749 N/A VAL 278.A N THR 101.A OG1 no hydrogen 3.092 N/A GLY 279.A N ALA 272.A O no hydrogen 2.702 N/A