Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1buh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 2.A OE1 no hydrogen 3.377 N/A GLN 5.A N ARG 22.A O no hydrogen 2.871 N/A GLU 8.A N LYS 20.A O no hydrogen 2.920 N/A LYS 9.A NZ GLU 12.A OE2 no hydrogen 3.352 N/A ILE 10.A N VAL 18.A O no hydrogen 2.826 N/A GLY 11.A N VAL 18.A O no hydrogen 3.030 N/A GLY 13.A N GLY 16.A O no hydrogen 2.852 N/A VAL 17.A N LYS 34.A O no hydrogen 3.329 N/A VAL 18.A N GLY 11.A O no hydrogen 2.927 N/A TYR 19.A N LEU 32.A O no hydrogen 2.901 N/A LYS 20.A N GLU 8.A O no hydrogen 2.838 N/A ALA 21.A N VAL 30.A O no hydrogen 2.659 N/A ARG 22.A N GLN 5.A O no hydrogen 2.868 N/A ARG 22.A NE GLY 27.A O no hydrogen 2.852 N/A ARG 22.A NH2 GLY 27.A O no hydrogen 3.191 N/A ASN 23.A N GLU 28.A O no hydrogen 2.873 N/A LYS 24.A N ASN 3.A O no hydrogen 2.952 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.953 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.320 N/A GLY 27.A N ASN 23.A O no hydrogen 2.700 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.350 N/A VAL 30.A N ALA 21.A O no hydrogen 2.891 N/A ALA 31.A N PHE 73.A O no hydrogen 2.930 N/A LEU 32.A N TYR 19.A O no hydrogen 2.968 N/A LYS 33.A N LEU 71.A O no hydrogen 3.018 N/A LYS 33.A NZ ASP 138.A OD1 no hydrogen 3.006 N/A LYS 34.A N VAL 17.A O no hydrogen 2.940 N/A ILE 35.A N LEU 69.A O no hydrogen 3.051 N/A ARG 36.A NE ASP 38.A OD1 no hydrogen 3.388 N/A LEU 37.A N ASN 67.A O no hydrogen 3.014 N/A SER 46.A N ILE 42.A O no hydrogen 2.962 N/A SER 46.A OG ILE 42.A O no hydrogen 3.019 N/A LEU 48.A N ILE 45.A O no hydrogen 2.958 N/A LYS 49.A N SER 46.A O no hydrogen 3.032 N/A LYS 49.A NZ ASP 61.A OD1 no hydrogen 3.479 N/A GLU 50.A N LEU 47.A O no hydrogen 3.213 N/A LEU 51.A N LEU 48.A O no hydrogen 3.365 N/A ASN 52.A ND2 LYS 49.A O no hydrogen 3.480 N/A ASN 55.A ND2 GLN 103.A OE1 no hydrogen 3.156 N/A ASN 55.A ND2 ILE 134.A O no hydrogen 3.025 N/A ILE 56.A N HIS 53.A O no hydrogen 2.747 N/A VAL 57.A N LEU 136.A O no hydrogen 2.722 N/A LYS 58.A N GLU 74.A OE1 no hydrogen 3.082 N/A LYS 58.A NZ LYS 49.A O no hydrogen 3.379 N/A LYS 58.A NZ LEU 59.A O no hydrogen 3.152 N/A ASP 61.A N VAL 72.A O no hydrogen 3.032 N/A VAL 62.A N ASP 61.A OD1 no hydrogen 2.920 N/A ILE 63.A N TYR 70.A O no hydrogen 2.858 N/A HIS 64.A ND1 LYS 68.A O no hydrogen 3.048 N/A THR 65.A N LYS 68.A O no hydrogen 2.961 N/A LYS 68.A N THR 65.A O no hydrogen 2.936 N/A LYS 68.A NZ GLU 66.A OE2 no hydrogen 3.190 N/A LEU 69.A N ILE 35.A O no hydrogen 3.077 N/A TYR 70.A N ILE 63.A O no hydrogen 2.751 N/A LEU 71.A N LYS 33.A O no hydrogen 3.015 N/A VAL 72.A N ASP 61.A O no hydrogen 2.875 N/A PHE 73.A N ALA 31.A O no hydrogen 2.859 N/A GLU 74.A N LYS 58.A O no hydrogen 2.849 N/A LEU 80.A N PRO 123.A O no hydrogen 3.253 N/A LEU 80.A N LEU 126.A O no hydrogen 2.791 N/A LYS 82.A N ASP 79.A OD1 no hydrogen 2.853 N/A PHE 83.A N ASP 79.A O no hydrogen 3.189 N/A MET 84.A N LEU 80.A O no hydrogen 2.847 N/A ASP 85.A N LYS 81.A O no hydrogen 2.924 N/A ALA 86.A N LYS 82.A O no hydrogen 3.029 N/A SER 87.A N PHE 83.A O no hydrogen 3.265 N/A SER 87.A OG PHE 83.A O no hydrogen 2.683 N/A GLY 91.A N SER 87.A O no hydrogen 2.578 N/A ILE 97.A N PRO 93.A O no hydrogen 2.933 N/A LYS 98.A N LEU 94.A O no hydrogen 2.743 N/A LYS 98.A NZ PHE 278.A O no hydrogen 2.753 N/A LYS 98.A NZ ASP 281.A OD1 no hydrogen 2.813 N/A SER 99.A N PRO 95.A O no hydrogen 2.939 N/A SER 99.A OG THR 283.A O no hydrogen 3.484 N/A TYR 100.A N LEU 96.A O no hydrogen 2.757 N/A LEU 101.A N ILE 97.A O no hydrogen 2.997 N/A PHE 102.A N LYS 98.A O no hydrogen 3.238 N/A GLN 103.A N SER 99.A O no hydrogen 3.059 N/A GLN 103.A NE2 SER 99.A O no hydrogen 3.393 N/A GLN 103.A NE2 SER 99.A OG no hydrogen 3.237 N/A GLN 103.A NE2 GLY 132.A O no hydrogen 3.150 N/A LEU 104.A N TYR 100.A O no hydrogen 2.828 N/A LEU 105.A N LEU 101.A O no hydrogen 2.832 N/A GLN 106.A N PHE 102.A O no hydrogen 3.243 N/A GLY 107.A N GLN 103.A O no hydrogen 3.295 N/A LEU 108.A N LEU 104.A O no hydrogen 3.075 N/A ALA 109.A N LEU 105.A O no hydrogen 2.924 N/A PHE 110.A N GLN 106.A O no hydrogen 3.093 N/A CYS 111.A N GLY 107.A O no hydrogen 3.068 N/A HIS 112.A N LEU 108.A O no hydrogen 2.861 N/A HIS 112.A NE2 ASP 178.A OD2 no hydrogen 2.944 N/A SER 113.A N ALA 109.A O no hydrogen 3.430 N/A SER 113.A OG PHE 110.A O no hydrogen 2.499 N/A HIS 114.A N CYS 111.A O no hydrogen 3.174 N/A HIS 114.A ND1 PHE 110.A O no hydrogen 3.057 N/A ARG 115.A N HIS 112.A O no hydrogen 2.809 N/A VAL 116.A N CYS 111.A O no hydrogen 2.894 N/A HIS 118.A N ASP 178.A OD2 no hydrogen 3.003 N/A HIS 118.A NE2 ALA 137.A O no hydrogen 2.719 N/A ARG 119.A N ASP 178.A OD1 no hydrogen 2.914 N/A ARG 119.A NH1 TYR 173.A OH no hydrogen 3.281 N/A LYS 122.A N ASN 125.A OD1 no hydrogen 2.938 N/A LYS 122.A NZ ASP 120.A OD2 no hydrogen 2.783 N/A ASN 125.A N LYS 122.A O no hydrogen 3.129 N/A ASN 125.A ND2 ASP 120.A O no hydrogen 3.251 N/A LEU 126.A N PRO 123.A O no hydrogen 3.241 N/A LEU 127.A N LYS 135.A O no hydrogen 2.863 N/A ILE 128.A N GLN 78.A O no hydrogen 2.814 N/A ASN 129.A N ALA 133.A O no hydrogen 3.380 N/A GLU 131.A N ASN 129.A OD1 no hydrogen 2.812 N/A ALA 133.A N ASN 129.A OD1 no hydrogen 3.177 N/A ILE 134.A N GLN 103.A OE1 no hydrogen 3.089 N/A LYS 135.A N LEU 127.A O no hydrogen 2.734 N/A LYS 135.A NZ PRO 54.A O no hydrogen 3.331 N/A LYS 135.A NZ GLU 74.A OE2 no hydrogen 3.017 N/A LEU 136.A N ASN 55.A O no hydrogen 2.897 N/A ALA 137.A N ASN 125.A O no hydrogen 2.888 N/A GLY 140.A N LEU 117.A O no hydrogen 3.134 N/A ARG 143.A NE ARG 143.A O no hydrogen 3.326 N/A PHE 145.A N LEU 141.A O no hydrogen 3.013 N/A GLY 146.A N ALA 142.A O no hydrogen 2.710 N/A THR 151.A N GLU 155.A O no hydrogen 2.927 N/A THR 151.A OG1 GLU 155.A OE1 no hydrogen 3.049 N/A THR 153.A N THR 151.A OG1 no hydrogen 3.340 N/A HIS 154.A N THR 151.A O no hydrogen 3.276 N/A GLU 155.A N THR 151.A OG1 no hydrogen 2.937 N/A TYR 161.A OH GLU 188.A OE1 no hydrogen 2.597 N/A ARG 162.A N LEU 159.A O no hydrogen 2.865 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.949 N/A LEU 167.A N ALA 163.A O no hydrogen 3.260 N/A LEU 168.A N PRO 164.A O no hydrogen 2.800 N/A GLY 169.A N ILE 166.A O no hydrogen 3.279 N/A CYS 170.A N GLU 165.A O no hydrogen 2.927 N/A ASP 178.A N THR 175.A O no hydrogen 3.215 N/A TRP 180.A N ALA 176.A O no hydrogen 3.101 N/A SER 181.A N VAL 177.A O no hydrogen 3.015 N/A SER 181.A OG TYR 161.A O no hydrogen 2.667 N/A SER 181.A OG VAL 177.A O no hydrogen 3.040 N/A LEU 182.A N ASP 178.A O no hydrogen 2.969 N/A GLY 183.A N ILE 179.A O no hydrogen 2.965 N/A CYS 184.A N TRP 180.A O no hydrogen 3.033 N/A CYS 184.A SG TRP 180.A O no hydrogen 3.481 N/A ILE 185.A N SER 181.A O no hydrogen 3.139 N/A PHE 186.A N LEU 182.A O no hydrogen 2.939 N/A ALA 187.A N GLY 183.A O no hydrogen 3.284 N/A GLU 188.A N CYS 184.A O no hydrogen 3.024 N/A MET 189.A N ILE 185.A O no hydrogen 2.910 N/A VAL 190.A N PHE 186.A O no hydrogen 3.140 N/A VAL 190.A N ALA 187.A O no hydrogen 3.022 N/A THR 191.A N ALA 187.A O no hydrogen 2.785 N/A THR 191.A OG1 ALA 187.A O no hydrogen 3.252 N/A ARG 192.A N GLU 188.A O no hydrogen 2.624 N/A ARG 193.A N THR 191.A OG1 no hydrogen 3.362 N/A GLY 198.A N PHE 196.A O no hydrogen 3.135 N/A GLY 198.A N GLN 204.A OE1 no hydrogen 3.122 N/A ASP 199.A N ASP 203.A OD2 no hydrogen 2.818 N/A SER 200.A OG ASP 199.A OD1 no hydrogen 3.166 N/A ASP 203.A N SER 200.A OG no hydrogen 3.230 N/A GLN 204.A N SER 200.A O no hydrogen 2.959 N/A GLN 204.A NE2 TRP 160.A O no hydrogen 3.466 N/A GLN 204.A NE2 PHE 196.A O no hydrogen 3.000 N/A LEU 205.A N GLU 201.A O no hydrogen 2.996 N/A PHE 206.A N ILE 202.A O no hydrogen 2.890 N/A ARG 207.A N ASP 203.A O no hydrogen 2.805 N/A ARG 207.A NH1 ASP 203.A OD1 no hydrogen 3.213 N/A ILE 208.A N GLN 204.A O no hydrogen 3.158 N/A PHE 209.A N LEU 205.A O no hydrogen 2.975 N/A ARG 210.A N PHE 206.A O no hydrogen 2.993 N/A THR 211.A N ARG 207.A O no hydrogen 3.461 N/A LEU 212.A N ILE 208.A O no hydrogen 2.882 N/A THR 214.A N TRP 236.A O no hydrogen 2.997 N/A THR 214.A OG1 PRO 234.A O no hydrogen 2.570 N/A VAL 219.A N ASP 216.A OD1 no hydrogen 2.939 N/A TRP 220.A N ASP 216.A O no hydrogen 2.911 N/A GLY 222.A N GLU 217.A OE1 no hydrogen 2.899 N/A GLY 222.A N GLU 217.A OE2 no hydrogen 3.179 N/A VAL 223.A N TRP 220.A O no hydrogen 3.095 N/A THR 224.A N GLU 217.A OE2 no hydrogen 3.203 N/A THR 224.A OG1 GLU 217.A OE2 no hydrogen 2.623 N/A SER 225.A N GLY 222.A O no hydrogen 3.069 N/A MET 226.A N VAL 223.A O no hydrogen 3.146 N/A ASP 228.A N LEU 168.A O no hydrogen 2.906 N/A TYR 229.A N MET 226.A O no hydrogen 3.039 N/A PHE 233.A N LYS 230.A O no hydrogen 3.440 N/A LYS 235.A NZ PRO 231.A O no hydrogen 3.042 N/A LYS 235.A NZ PHE 233.A O no hydrogen 2.984 N/A TRP 236.A N THR 214.A OG1 no hydrogen 2.964 N/A ARG 238.A NE GLN 239.A O no hydrogen 3.228 N/A ARG 238.A NH2 SER 257.A OG no hydrogen 3.254 N/A GLN 239.A N THR 211.A O no hydrogen 2.783 N/A SER 242.A N ASP 240.A OD1 no hydrogen 3.270 N/A SER 242.A OG ASP 240.A OD1 no hydrogen 3.081 N/A SER 242.A OG ASP 240.A OD2 no hydrogen 2.894 N/A LYS 243.A N ASP 240.A O no hydrogen 2.790 N/A LYS 243.A NZ SER 242.A OG no hydrogen 3.181 N/A VAL 244.A N ASP 240.A O no hydrogen 3.222 N/A VAL 245.A N PHE 241.A O no hydrogen 2.903 N/A LEU 248.A N VAL 245.A O no hydrogen 3.334 N/A GLY 252.A N ASP 249.A OD1 no hydrogen 2.801 N/A ARG 253.A N ASP 249.A O no hydrogen 2.795 N/A SER 254.A N GLU 250.A O no hydrogen 2.925 N/A SER 254.A OG GLN 258.A OE1 no hydrogen 3.192 N/A SER 254.A OG HIS 276.A NE2 no hydrogen 3.256 N/A LEU 255.A N ASP 251.A O no hydrogen 3.126 N/A LEU 256.A N GLY 252.A O no hydrogen 3.174 N/A SER 257.A N ARG 253.A O no hydrogen 2.792 N/A GLN 258.A N SER 254.A O no hydrogen 3.089 N/A MET 259.A N LEU 255.A O no hydrogen 2.839 N/A MET 259.A N LEU 256.A O no hydrogen 3.110 N/A LEU 260.A N LEU 256.A O no hydrogen 2.968 N/A TYR 262.A OH GLY 213.A O no hydrogen 2.616 N/A ASN 265.A N ASP 263.A OD1 no hydrogen 3.308 N/A ARG 267.A N ASP 263.A O no hydrogen 2.873 N/A ARG 267.A NE HIS 261.A O no hydrogen 2.697 N/A ARG 267.A NH1 GLU 165.A OE1 no hydrogen 3.248 N/A ARG 267.A NH1 GLU 165.A OE2 no hydrogen 2.898 N/A ARG 267.A NH1 ALA 176.A O no hydrogen 2.985 N/A ARG 267.A NH2 GLU 165.A OE1 no hydrogen 2.966 N/A ARG 267.A NH2 HIS 261.A O no hydrogen 3.014 N/A ILE 268.A N GLN 258.A O no hydrogen 3.085 N/A LYS 271.A NZ ALA 109.A O no hydrogen 3.199 N/A ALA 272.A N SER 269.A OG no hydrogen 3.293 N/A ALA 273.A N SER 269.A O no hydrogen 2.817 N/A LEU 274.A N ALA 270.A O no hydrogen 3.115 N/A ALA 275.A N ALA 272.A O no hydrogen 3.294 N/A HIS 276.A N ALA 273.A O no hydrogen 3.150 N/A HIS 276.A NE2 SER 254.A OG no hydrogen 3.256 N/A PHE 278.A N HIS 276.A ND1 no hydrogen 3.085 N/A PHE 279.A N HIS 276.A O no hydrogen 3.088 N/A GLN 280.A N PRO 277.A O no hydrogen 3.187 N/A VAL 282.A N PHE 279.A O no hydrogen 3.359 N/A