Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3duf_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N GLN 181.A O no hydrogen 2.864 N/A THR 4.A N GLN 7.A OE1 no hydrogen 2.833 N/A VAL 6.A N TYR 176.A O no hydrogen 2.847 N/A ALA 8.A N THR 4.A O no hydrogen 3.156 N/A ILE 9.A N MET 5.A O no hydrogen 3.091 N/A THR 10.A N VAL 6.A O no hydrogen 3.056 N/A THR 10.A OG1 VAL 6.A O no hydrogen 2.963 N/A THR 10.A OG1 ALA 39.A O no hydrogen 2.676 N/A ASP 11.A N GLN 7.A O no hydrogen 2.922 N/A ALA 12.A N ALA 8.A O no hydrogen 2.935 N/A LEU 13.A N ILE 9.A O no hydrogen 3.131 N/A ARG 14.A N THR 10.A O no hydrogen 2.915 N/A ARG 14.A NH1 GLU 46.A OE1 no hydrogen 3.057 N/A ILE 15.A N ASP 11.A O no hydrogen 3.072 N/A GLU 16.A N ALA 12.A O no hydrogen 3.333 N/A LEU 17.A N LEU 13.A O no hydrogen 3.104 N/A LYS 18.A N ARG 14.A O no hydrogen 3.318 N/A LYS 18.A N ILE 15.A O no hydrogen 3.113 N/A ASN 19.A N ILE 15.A O no hydrogen 3.128 N/A ASP 20.A N GLU 16.A O no hydrogen 3.207 N/A ASN 22.A N ASP 20.A OD1 no hydrogen 2.794 N/A VAL 23.A N ASP 20.A O no hydrogen 3.060 N/A LEU 24.A N ARG 75.A O no hydrogen 3.437 N/A ILE 25.A N ARG 51.A O no hydrogen 2.873 N/A GLY 31.A N ASP 54.A OD1 no hydrogen 3.101 N/A ASN 33.A ND2 ASP 29.A O no hydrogen 3.640 N/A GLY 35.A N ASP 29.A O no hydrogen 2.933 N/A ARG 38.A N GLY 35.A O no hydrogen 3.407 N/A THR 40.A N GLY 34.A O no hydrogen 3.213 N/A THR 40.A OG1 VAL 30.A O no hydrogen 2.903 N/A LEU 43.A N THR 40.A O no hydrogen 3.412 N/A GLN 44.A NE2 VAL 52.A O no hydrogen 2.919 N/A GLU 46.A N LEU 43.A O no hydrogen 3.043 N/A PHE 47.A N LEU 43.A O no hydrogen 2.849 N/A GLY 48.A N GLN 44.A O no hydrogen 2.841 N/A ARG 51.A N GLY 48.A O no hydrogen 3.043 N/A ARG 51.A NE VAL 23.A O no hydrogen 3.373 N/A ARG 51.A NH1 LEU 17.A O no hydrogen 3.025 N/A ARG 51.A NH2 LEU 17.A O no hydrogen 3.199 N/A ARG 51.A NH2 ASP 20.A O no hydrogen 2.987 N/A ARG 51.A NH2 VAL 23.A O no hydrogen 3.015 N/A VAL 52.A N GLY 48.A O no hydrogen 3.018 N/A PHE 53.A N ILE 25.A O no hydrogen 3.205 N/A THR 55.A N GLY 27.A O no hydrogen 3.227 N/A THR 55.A OG1 PRO 56.A O no hydrogen 3.288 N/A ILE 62.A N ALA 58.A O no hydrogen 2.909 N/A GLY 63.A N GLU 59.A O no hydrogen 2.905 N/A GLY 64.A N SER 60.A O no hydrogen 3.148 N/A LEU 65.A N GLY 61.A O no hydrogen 2.934 N/A ALA 66.A N ILE 62.A O no hydrogen 3.085 N/A ILE 67.A N GLY 63.A O no hydrogen 3.317 N/A GLY 68.A N GLY 64.A O no hydrogen 3.384 N/A LEU 69.A N LEU 65.A O no hydrogen 3.097 N/A ALA 70.A N ALA 66.A O no hydrogen 3.153 N/A LEU 71.A N ILE 67.A O no hydrogen 3.177 N/A GLN 72.A N LEU 69.A O no hydrogen 2.962 N/A GLY 73.A N ALA 70.A O no hydrogen 2.923 N/A PHE 74.A N LEU 69.A O no hydrogen 3.134 N/A ARG 75.A N ASN 22.A O no hydrogen 2.963 N/A ARG 75.A NH1 ILE 161.A O no hydrogen 3.050 N/A ARG 75.A NH1 ASN 164.A OD1 no hydrogen 3.427 N/A ARG 75.A NH2 ASN 164.A OD1 no hydrogen 2.768 N/A ILE 80.A N ARG 115.A O no hydrogen 3.191 N/A GLN 81.A NE2 ASP 29.A OD2 no hydrogen 3.362 N/A PHE 83.A N PRO 117.A O no hydrogen 3.170 N/A PHE 85.A N PHE 82.A O no hydrogen 3.135 N/A VAL 86.A N PHE 83.A O no hydrogen 2.964 N/A GLU 88.A N PHE 85.A O no hydrogen 3.373 N/A VAL 89.A N VAL 86.A O no hydrogen 3.148 N/A ILE 93.A N VAL 89.A O no hydrogen 3.103 N/A CYS 94.A N MET 90.A O no hydrogen 2.908 N/A GLN 96.A NE2 ASP 91.A OD2 no hydrogen 3.565 N/A MET 97.A N SER 92.A O no hydrogen 3.002 N/A ALA 98.A N ILE 93.A O no hydrogen 3.300 N/A ARG 99.A N GLN 96.A O no hydrogen 2.824 N/A ARG 99.A NE CYS 94.A O no hydrogen 2.859 N/A ARG 99.A NH2 GLN 139.A OE1 no hydrogen 3.484 N/A ARG 101.A NE ASP 165.A OD1 no hydrogen 3.088 N/A ARG 101.A NH2 ASN 164.A O no hydrogen 3.520 N/A ARG 103.A N ARG 99.A O no hydrogen 2.795 N/A ARG 103.A NH1 GLN 96.A OE1 no hydrogen 3.054 N/A ARG 103.A NH2 GLY 95.A O no hydrogen 2.976 N/A ARG 103.A NH2 GLN 96.A OE1 no hydrogen 3.518 N/A THR 104.A N ILE 100.A O no hydrogen 2.953 N/A THR 104.A OG1 ILE 100.A O no hydrogen 2.902 N/A THR 104.A OG1 ARG 101.A O no hydrogen 3.456 N/A GLY 105.A N TYR 102.A O no hydrogen 3.010 N/A GLY 106.A N ARG 101.A O no hydrogen 2.721 N/A ARG 107.A N THR 104.A O no hydrogen 2.880 N/A ARG 107.A NH1 ARG 107.A O no hydrogen 3.519 N/A TYR 108.A N THR 104.A OG1 no hydrogen 3.059 N/A ILE 112.A N MET 110.A O no hydrogen 2.591 N/A THR 113.A N PRO 76.A O no hydrogen 3.095 N/A ILE 114.A N VAL 167.A O no hydrogen 2.958 N/A ARG 115.A N PRO 78.A O no hydrogen 3.154 N/A ARG 115.A NE GLU 171.A OE2 no hydrogen 2.966 N/A ARG 115.A NH2 GLU 171.A OE1 no hydrogen 2.962 N/A SER 116.A N PHE 169.A O no hydrogen 3.042 N/A SER 116.A OG ILE 80.A O no hydrogen 2.997 N/A PHE 118.A N GLU 171.A O no hydrogen 2.914 N/A GLY 120.A N GLU 261.A OE2 no hydrogen 2.772 N/A GLY 121.A N GLU 304.A OE2 no hydrogen 3.267 N/A HIS 123.A N GLU 304.A OE1 no hydrogen 3.253 N/A THR 124.A OG1 PRO 125.A O no hydrogen 3.540 N/A THR 124.A OG1 SER 129.A OG no hydrogen 2.642 N/A HIS 128.A ND1 GLU 126.A O no hydrogen 2.900 N/A SER 129.A OG GLY 119.A O no hydrogen 2.849 N/A SER 129.A OG THR 124.A OG1 no hydrogen 2.642 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.620 N/A LEU 135.A N LEU 132.A O no hydrogen 3.070 N/A ALA 137.A N GLU 133.A O no hydrogen 3.098 N/A GLN 138.A N LEU 135.A O no hydrogen 3.202 N/A GLN 139.A N VAL 136.A O no hydrogen 3.280 N/A GLN 139.A NE2 PRO 140.A O no hydrogen 2.936 N/A LYS 143.A NZ ASP 163.A OD2 no hydrogen 3.302 N/A VAL 144.A N GLN 239.A O no hydrogen 3.015 N/A VAL 145.A N ILE 168.A O no hydrogen 2.902 N/A ILE 146.A N ARG 236.A O no hydrogen 3.163 N/A SER 148.A OG ASP 234.A OD2 no hydrogen 3.131 N/A THR 149.A OG1 ASP 152.A OD2 no hydrogen 2.709 N/A TYR 151.A N GLN 181.A OE1 no hydrogen 2.666 N/A ASP 152.A N THR 149.A OG1 no hydrogen 3.301 N/A ALA 153.A N THR 149.A O no hydrogen 2.928 N/A LYS 154.A N PRO 150.A O no hydrogen 3.217 N/A LYS 154.A NZ ASP 11.A OD2 no hydrogen 2.677 N/A LYS 154.A NZ PRO 184.A O no hydrogen 3.169 N/A LYS 154.A NZ GLY 186.A O no hydrogen 2.871 N/A LEU 156.A N ASP 152.A O no hydrogen 2.954 N/A LEU 157.A N ALA 153.A O no hydrogen 2.991 N/A ILE 158.A N LYS 154.A O no hydrogen 3.183 N/A SER 159.A N GLY 155.A O no hydrogen 3.269 N/A SER 159.A OG GLY 155.A O no hydrogen 3.146 N/A SER 159.A OG ILE 190.A O no hydrogen 2.826 N/A ALA 160.A N LEU 156.A O no hydrogen 2.688 N/A ILE 161.A N LEU 157.A O no hydrogen 2.714 N/A ARG 162.A N ILE 158.A O no hydrogen 2.924 N/A ARG 162.A NE GLU 16.A OE2 no hydrogen 3.413 N/A ASP 163.A N SER 159.A O no hydrogen 2.817 N/A ASP 163.A N ALA 160.A O no hydrogen 2.888 N/A ASP 165.A N ASP 163.A OD1 no hydrogen 2.606 N/A VAL 167.A N ILE 112.A O no hydrogen 3.002 N/A ILE 168.A N LYS 143.A O no hydrogen 2.833 N/A PHE 169.A N ILE 114.A O no hydrogen 2.933 N/A LEU 170.A N VAL 145.A O no hydrogen 3.081 N/A GLU 171.A N SER 116.A O no hydrogen 2.877 N/A HIS 172.A NE2 GLU 261.A OE1 no hydrogen 2.827 N/A LEU 173.A N PHE 118.A O no hydrogen 2.828 N/A LYS 174.A N HIS 172.A ND1 no hydrogen 3.260 N/A LEU 175.A N HIS 172.A O no hydrogen 2.832 N/A TYR 176.A N LEU 173.A O no hydrogen 3.481 N/A TYR 176.A OH GLU 171.A OE1 no hydrogen 2.678 N/A ARG 177.A NH2 PHE 37.A O no hydrogen 3.084 N/A SER 178.A OG LYS 174.A O no hydrogen 3.026 N/A ARG 180.A NH1 GLN 7.A OE1 no hydrogen 3.093 N/A GLN 181.A N MET 3.A O no hydrogen 3.001 N/A VAL 183.A N ALA 1.A O no hydrogen 2.773 N/A TYR 188.A OH TYR 151.A O no hydrogen 2.619 N/A ILE 190.A N GLY 155.A O no hydrogen 3.334 N/A ILE 190.A N SER 159.A OG no hydrogen 3.248 N/A GLY 193.A N THR 237.A OG1 no hydrogen 2.788 N/A ALA 195.A N ASP 242.A OD2 no hydrogen 3.048 N/A ASP 196.A N ASP 234.A O no hydrogen 3.080 N/A LYS 198.A N VAL 232.A O no hydrogen 2.837 N/A LYS 198.A NZ ASP 152.A OD2 no hydrogen 2.629 N/A LYS 198.A NZ ASP 196.A OD1 no hydrogen 3.145 N/A LYS 198.A NZ ASP 196.A OD2 no hydrogen 3.276 N/A ARG 199.A N VAL 232.A O no hydrogen 3.425 N/A GLY 201.A N GLU 231.A OE1 no hydrogen 2.868 N/A LYS 202.A N SER 229.A O no hydrogen 3.336 N/A LYS 202.A N SER 229.A OG no hydrogen 3.332 N/A ASP 203.A N SER 229.A O no hydrogen 2.773 N/A ILE 204.A N SER 229.A O no hydrogen 3.172 N/A THR 205.A N ARG 255.A O no hydrogen 3.330 N/A THR 205.A OG1 SER 249.A O no hydrogen 3.464 N/A THR 205.A OG1 SER 249.A OG no hydrogen 2.916 N/A THR 205.A OG1 THR 253.A OG1 no hydrogen 2.936 N/A ILE 206.A N GLU 231.A O no hydrogen 2.623 N/A ILE 207.A N ILE 257.A O no hydrogen 3.058 N/A ALA 208.A N VAL 233.A O no hydrogen 3.100 N/A TYR 209.A OH GLU 133.A OE2 no hydrogen 2.691 N/A VAL 213.A N GLY 210.A O no hydrogen 3.252 N/A SER 216.A N MET 212.A O no hydrogen 2.914 N/A SER 216.A OG MET 212.A O no hydrogen 2.833 N/A LEU 217.A N VAL 213.A O no hydrogen 2.926 N/A LYS 218.A N HIS 214.A O no hydrogen 2.826 N/A ALA 219.A N GLU 215.A O no hydrogen 2.747 N/A ALA 220.A N SER 216.A O no hydrogen 2.817 N/A ALA 221.A N LEU 217.A O no hydrogen 3.182 N/A LEU 223.A N ALA 219.A O no hydrogen 3.064 N/A GLU 224.A N ALA 220.A O no hydrogen 3.058 N/A LYS 225.A N GLU 222.A O no hydrogen 3.074 N/A LYS 225.A NZ GLU 222.A OE2 no hydrogen 3.004 N/A GLU 226.A N LEU 223.A O no hydrogen 2.790 N/A GLY 227.A N GLU 224.A O no hydrogen 3.110 N/A ILE 228.A N LEU 223.A O no hydrogen 3.168 N/A SER 229.A N ASP 203.A OD2 no hydrogen 2.880 N/A GLU 231.A N ILE 204.A O no hydrogen 2.691 N/A VAL 232.A N ARG 199.A O no hydrogen 2.993 N/A VAL 233.A N ILE 206.A O no hydrogen 2.875 N/A ASP 234.A N ASP 196.A O no hydrogen 3.137 N/A LEU 235.A N ALA 208.A O no hydrogen 3.182 N/A ARG 236.A NE LYS 194.A O no hydrogen 3.016 N/A ARG 236.A NH1 ASP 152.A OD1 no hydrogen 3.448 N/A ARG 236.A NH2 LYS 194.A O no hydrogen 3.092 N/A THR 237.A N LEU 235.A O no hydrogen 2.601 N/A VAL 238.A N VAL 144.A O no hydrogen 2.969 N/A GLN 239.A NE2 ALA 137.A O no hydrogen 3.035 N/A THR 245.A OG1 ASP 242.A OD2 no hydrogen 2.597 N/A ILE 246.A N ASP 242.A O no hydrogen 3.186 N/A ILE 247.A N ILE 243.A O no hydrogen 2.883 N/A GLY 248.A N GLU 244.A O no hydrogen 2.740 N/A SER 249.A N THR 245.A O no hydrogen 3.168 N/A SER 249.A OG THR 205.A OG1 no hydrogen 2.916 N/A SER 249.A OG GLU 231.A OE2 no hydrogen 2.736 N/A VAL 250.A N ILE 246.A O no hydrogen 3.053 N/A GLU 251.A N ILE 247.A O no hydrogen 2.903 N/A LYS 252.A N SER 249.A O no hydrogen 3.250 N/A LYS 252.A NZ GLU 200.A OE2 no hydrogen 2.687 N/A LYS 252.A NZ GLY 201.A O no hydrogen 3.381 N/A LYS 252.A NZ GLU 231.A OE1 no hydrogen 3.326 N/A THR 253.A N SER 249.A O no hydrogen 3.288 N/A THR 253.A OG1 THR 205.A OG1 no hydrogen 2.936 N/A THR 253.A OG1 ARG 255.A O no hydrogen 2.904 N/A GLY 254.A N VAL 250.A O no hydrogen 2.727 N/A ARG 255.A N THR 253.A OG1 no hydrogen 3.301 N/A ARG 255.A NH1 VAL 321.A O no hydrogen 2.793 N/A ILE 257.A N THR 205.A O no hydrogen 3.125 N/A VAL 258.A N LEU 289.A O no hydrogen 3.093 N/A VAL 259.A N ILE 207.A O no hydrogen 2.730 N/A GLN 260.A N VAL 291.A O no hydrogen 3.150 N/A GLN 260.A NE2 ALA 262.A O no hydrogen 3.527 N/A GLN 260.A NE2 ALA 266.A O no hydrogen 2.944 N/A GLN 263.A N GLN 263.A OE1 no hydrogen 2.725 N/A GLN 263.A NE2 THR 296.A O no hydrogen 3.221 N/A ARG 264.A N ALA 293.A O no hydrogen 3.134 N/A ARG 264.A NH2 ARG 290.A O no hydrogen 3.150 N/A GLN 265.A N ASP 295.A OD1 no hydrogen 2.881 N/A ALA 266.A N GLN 263.A O no hydrogen 2.903 N/A ILE 268.A N GLN 260.A OE1 no hydrogen 2.984 N/A ALA 269.A N GLN 260.A OE1 no hydrogen 2.920 N/A ASN 271.A N ILE 268.A O no hydrogen 3.067 N/A VAL 272.A N ILE 268.A O no hydrogen 3.325 N/A VAL 273.A N ALA 269.A O no hydrogen 2.889 N/A ALA 274.A N ALA 270.A O no hydrogen 2.989 N/A GLU 275.A N ASN 271.A O no hydrogen 2.970 N/A ILE 276.A N VAL 272.A O no hydrogen 2.946 N/A ASN 277.A N VAL 273.A O no hydrogen 3.071 N/A GLU 278.A N ALA 274.A O no hydrogen 3.216 N/A ARG 279.A N GLU 275.A O no hydrogen 3.303 N/A ARG 279.A N ILE 276.A O no hydrogen 3.352 N/A ARG 279.A NE GLU 275.A OE1 no hydrogen 2.534 N/A ARG 279.A NH2 GLU 275.A OE1 no hydrogen 2.742 N/A ALA 280.A N ILE 276.A O no hydrogen 2.918 N/A SER 283.A N ALA 280.A O no hydrogen 2.964 N/A GLU 285.A N GLY 254.A O no hydrogen 2.812 N/A VAL 291.A N VAL 258.A O no hydrogen 2.837 N/A ALA 293.A N ALA 262.A O no hydrogen 3.089 N/A THR 296.A OG1 VAL 297.A O no hydrogen 2.922 N/A TYR 298.A OH GLU 304.A OE2 no hydrogen 2.915 N/A ALA 303.A N PHE 300.A O no hydrogen 2.780 N/A GLU 304.A N ALA 301.A O no hydrogen 3.260 N/A TRP 307.A N GLU 304.A O no hydrogen 3.207 N/A TRP 307.A NE1 THR 296.A OG1 no hydrogen 3.046 N/A LEU 308.A N GLU 304.A O no hydrogen 2.793 N/A ASN 310.A N ASP 313.A OD2 no hydrogen 2.990 N/A PHE 311.A N GLU 215.A OE1 no hydrogen 2.596 N/A LYS 312.A N ASN 310.A OD1 no hydrogen 3.063 N/A ASP 313.A N ASN 310.A O no hydrogen 2.975 N/A VAL 314.A N ASN 310.A O no hydrogen 3.424 N/A ILE 315.A N PHE 311.A O no hydrogen 3.013 N/A GLU 316.A N LYS 312.A O no hydrogen 3.214 N/A THR 317.A N ASP 313.A O no hydrogen 3.003 N/A THR 317.A OG1 ASP 313.A O no hydrogen 3.105 N/A ALA 318.A N VAL 314.A O no hydrogen 3.127 N/A LYS 319.A N ILE 315.A O no hydrogen 3.212 N/A LYS 320.A N GLU 316.A O no hydrogen 3.154 N/A VAL 321.A N THR 317.A O no hydrogen 3.273 N/A MET 322.A N ALA 318.A O no hydrogen 3.147 N/A ASN 323.A N LYS 319.A O no hydrogen 2.820 N/A