Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fwk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N ARG 114.A O no hydrogen 2.924 N/A ALA 10.A N ARG 6.A O no hydrogen 2.864 N/A ALA 11.A N LEU 7.A O no hydrogen 2.827 N/A GLU 12.A N GLY 8.A O no hydrogen 2.899 N/A LEU 13.A N ASP 9.A O no hydrogen 2.931 N/A CYS 14.A N ALA 10.A O no hydrogen 2.952 N/A CYS 14.A SG ALA 10.A O no hydrogen 3.353 N/A TYR 15.A N ALA 11.A O no hydrogen 2.892 N/A ASN 16.A N GLU 12.A O no hydrogen 2.881 N/A LEU 17.A N LEU 13.A O no hydrogen 2.883 N/A THR 18.A N CYS 14.A O no hydrogen 2.977 N/A THR 18.A OG1 CYS 14.A O no hydrogen 2.745 N/A SER 19.A N TYR 15.A O no hydrogen 2.903 N/A SER 19.A OG TYR 15.A O no hydrogen 2.905 N/A SER 20.A N ASN 16.A O no hydrogen 2.917 N/A SER 20.A OG.A TYR 194.A OH no hydrogen 2.416 N/A SER 20.A OG.B ASN 16.A O no hydrogen 3.015 N/A TYR 21.A N LEU 17.A O no hydrogen 2.885 N/A TYR 21.A OH SER 190.A OG no hydrogen 2.606 N/A LEU 22.A N THR 18.A O no hydrogen 2.960 N/A GLN 23.A N SER 19.A O no hydrogen 3.109 N/A GLN 23.A N SER 20.A O no hydrogen 3.027 N/A ILE 24.A N TYR 21.A O no hydrogen 3.060 N/A SER 30.A N GLU 27.A O no hydrogen 3.009 N/A SER 30.A OG GLU 27.A O no hydrogen 2.674 N/A ALA 33.A N SER 30.A OG no hydrogen 2.992 N/A GLN 34.A N SER 30.A O no hydrogen 3.092 N/A THR 35.A N ILE 31.A O no hydrogen 2.863 N/A THR 35.A OG1 ILE 31.A O no hydrogen 2.782 N/A GLN 36.A N ILE 32.A O no hydrogen 2.858 N/A GLN 36.A NE2 TYR 21.A O no hydrogen 2.959 N/A GLN 36.A NE2 ILE 24.A O.A no hydrogen 3.095 N/A GLN 36.A NE2 ILE 24.A O.B no hydrogen 2.828 N/A ARG 37.A N ALA 33.A O no hydrogen 3.006 N/A ALA 38.A N GLN 34.A O no hydrogen 2.970 N/A ILE 39.A N THR 35.A O no hydrogen 2.845 N/A ASN 40.A N GLN 36.A O no hydrogen 2.986 N/A THR 41.A N ARG 37.A O no hydrogen 3.028 N/A THR 41.A OG1 ARG 37.A O no hydrogen 3.353 N/A THR 42.A N ALA 38.A O no hydrogen 2.959 N/A THR 42.A OG1 ALA 38.A O no hydrogen 3.174 N/A THR 42.A OG1 PRO 179.A O no hydrogen 2.705 N/A THR 42.A OG1 HIS 182.A NE2 no hydrogen 3.304 N/A LYS 43.A N ILE 39.A O no hydrogen 2.827 N/A LYS 43.A NZ GLU 84.A OE1 no hydrogen 3.046 N/A SER 44.A N ASN 40.A O no hydrogen 3.034 N/A SER 44.A OG.B ASN 40.A O no hydrogen 3.127 N/A ILE 45.A N THR 41.A O no hydrogen 3.024 N/A LEU 46.A N THR 42.A O no hydrogen 3.030 N/A ILE 47.A N LYS 43.A O no hydrogen 2.778 N/A ASN 48.A N SER 44.A O no hydrogen 2.860 N/A ASN 48.A ND2 SER 44.A OG.A no hydrogen 2.882 N/A GLU 49.A N SER 44.A O no hydrogen 3.291 N/A GLU 49.A N ILE 45.A O no hydrogen 3.086 N/A THR 50.A N LEU 46.A O no hydrogen 3.257 N/A THR 50.A OG1 ILE 45.A O no hydrogen 2.858 N/A PHE 51.A N LEU 46.A O no hydrogen 2.920 N/A LYS 53.A N THR 50.A O no hydrogen 2.898 N/A TRP 54.A N THR 50.A O no hydrogen 2.984 N/A SER 55.A N GLU 60.A OE1 no hydrogen 2.892 N/A LEU 57.A N SER 55.A OG no hydrogen 3.035 N/A ASN 58.A N SER 55.A OG no hydrogen 3.335 N/A ASN 58.A ND2 GLU 60.A OE2 no hydrogen 3.442 N/A GLU 60.A N ASN 58.A OD1 no hydrogen 2.935 N/A SER 62.A N ALA 146.A O no hydrogen 3.020 N/A SER 62.A OG.B PRO 91.A O no hydrogen 3.491 N/A PHE 63.A N PRO 91.A O no hydrogen 2.960 N/A SER 64.A N VAL 148.A O no hydrogen 2.816 N/A TYR 65.A N VAL 93.A O no hydrogen 2.861 N/A TYR 65.A OH THR 111.A OG1 no hydrogen 2.847 N/A GLY 68.A N ASN 66.A OD1 no hydrogen 3.009 N/A LYS 69.A N TYR 203.A OH no hydrogen 2.851 N/A LYS 69.A NZ THR 208.A O no hydrogen 2.736 N/A LYS 69.A NZ GLU 283.A OE2 no hydrogen 2.691 N/A CYS 71.A SG SER 64.A O no hydrogen 3.595 N/A CYS 71.A SG ASN 66.A OD1 no hydrogen 3.263 N/A GLN 72.A N GLY 68.A O no hydrogen 2.851 N/A GLN 72.A NE2 TYR 115.A OH no hydrogen 3.433 N/A GLN 72.A NE2 PRO 198.A O no hydrogen 2.735 N/A VAL 73.A N LYS 69.A O no hydrogen 2.962 N/A LEU 74.A N ASP 70.A O no hydrogen 2.949 N/A LEU 75.A N CYS 71.A O no hydrogen 2.819 N/A LEU 76.A N GLN 72.A O no hydrogen 2.982 N/A LEU 77.A N VAL 73.A O no hydrogen 2.993 N/A TYR 78.A N LEU 74.A O no hydrogen 2.751 N/A LEU 79.A N LEU 75.A O no hydrogen 2.880 N/A SER 80.A N LEU 76.A O no hydrogen 2.962 N/A CYS 81.A N LEU 77.A O no hydrogen 2.934 N/A CYS 81.A SG LEU 77.A O no hydrogen 3.316 N/A LEU 82.A N TYR 78.A O no hydrogen 2.882 N/A TRP 83.A N LEU 79.A O no hydrogen 3.084 N/A GLU 84.A N SER 80.A O no hydrogen 2.878 N/A TYR 85.A N CYS 81.A O no hydrogen 2.832 N/A TYR 86.A N LEU 82.A O no hydrogen 3.020 N/A ILE 87.A N TRP 83.A O no hydrogen 2.789 N/A VAL 88.A N TRP 83.A O no hydrogen 3.317 N/A LYS 89.A NZ.B SER 118.A OG.A no hydrogen 2.889 N/A LEU 90.A N.A SER 116.A O no hydrogen 3.009 N/A THR 92.A N SER 118.A O no hydrogen 2.915 N/A THR 92.A OG1 LEU 90.A O.A no hydrogen 2.811 N/A THR 92.A OG1 LEU 90.A O.B no hydrogen 3.093 N/A VAL 93.A N PHE 63.A O no hydrogen 2.825 N/A PHE 94.A N TYR 120.A O no hydrogen 2.843 N/A ASP 96.A N SER 122.A OG no hydrogen 2.892 N/A HIS 97.A N ASP 96.A OD1 no hydrogen 2.884 N/A THR 100.A N HIS 97.A O no hydrogen 3.403 N/A THR 100.A OG1 HIS 97.A O no hydrogen 2.878 N/A THR 103.A N ASP 260.A OD2 no hydrogen 2.947 N/A THR 103.A OG1 ASP 260.A OD2 no hydrogen 2.605 N/A GLU 105.A N PHE 101.A O no hydrogen 3.031 N/A ASN 106.A N LYS 102.A O no hydrogen 2.876 N/A PHE 107.A N THR 103.A O no hydrogen 2.888 N/A ILE 108.A N LEU 104.A O no hydrogen 2.894 N/A GLU 109.A N GLU 105.A O no hydrogen 3.127 N/A GLU 110.A N ASN 106.A O no hydrogen 2.894 N/A THR 111.A N PHE 107.A O no hydrogen 2.850 N/A THR 111.A OG1 TYR 65.A OH no hydrogen 2.847 N/A THR 111.A OG1 PHE 107.A O no hydrogen 2.758 N/A THR 111.A OG1 ILE 108.A O no hydrogen 3.270 N/A SER 112.A N ILE 108.A O no hydrogen 2.928 N/A SER 112.A OG ILE 108.A O no hydrogen 2.864 N/A LEU 113.A N GLU 109.A O no hydrogen 3.111 N/A ARG 114.A N GLU 110.A O no hydrogen 2.873 N/A ARG 114.A NE GLU 197.A OE1 no hydrogen 2.751 N/A ARG 114.A NH1.A MET 3.A O no hydrogen 2.972 N/A ARG 114.A NH2.A GLU 197.A OE1 no hydrogen 3.362 N/A ARG 114.A NH2.A GLU 197.A OE2 no hydrogen 2.806 N/A ARG 114.A NH2.A THR 249.A O no hydrogen 2.870 N/A ARG 114.A NH2.B GLU 197.A OE2 no hydrogen 2.948 N/A TYR 115.A N THR 111.A O no hydrogen 2.953 N/A TYR 115.A OH GLU 197.A OE1 no hydrogen 2.636 N/A SER 116.A N LEU 113.A O no hydrogen 3.379 N/A SER 116.A OG MET 5.A O no hydrogen 2.578 N/A LEU 117.A N SER 112.A O no hydrogen 2.929 N/A SER 118.A N LEU 90.A O.A no hydrogen 2.814 N/A SER 118.A N LEU 90.A O.B no hydrogen 2.983 N/A TYR 120.A N THR 92.A O no hydrogen 2.925 N/A SER 122.A N PHE 94.A O no hydrogen 2.972 N/A ARG 124.A NH1 ASP 125.A OD1 no hydrogen 2.820 N/A ASP 125.A N ASP 123.A OD1 no hydrogen 2.919 N/A LYS 126.A N ASP 123.A O no hydrogen 3.103 N/A LYS 126.A NZ.B ASP 123.A OD2 no hydrogen 2.858 N/A THR 129.A N GLU 132.A OE1 no hydrogen 2.846 N/A GLU 132.A N THR 129.A OG1 no hydrogen 3.057 N/A ALA 133.A N THR 129.A O no hydrogen 2.880 N/A PHE 134.A N MET 130.A O no hydrogen 2.931 N/A GLU 135.A N ALA 131.A O no hydrogen 2.893 N/A THR 136.A N GLU 132.A O no hydrogen 3.129 N/A THR 136.A OG1 GLU 132.A O no hydrogen 3.473 N/A PHE 137.A N ALA 133.A O no hydrogen 3.034 N/A LEU 138.A N PHE 134.A O no hydrogen 2.932 N/A GLN 139.A N GLU 135.A O no hydrogen 3.146 N/A VAL 140.A N THR 136.A O no hydrogen 3.199 N/A PHE 141.A N PHE 137.A O no hydrogen 2.878 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.754 N/A THR 144.A N PHE 141.A O no hydrogen 3.106 N/A THR 144.A OG1 PHE 141.A O no hydrogen 2.724 N/A LYS 145.A N GLU 60.A O no hydrogen 2.752 N/A ALA 146.A N GLU 60.A O no hydrogen 3.029 N/A ILE 147.A N TYR 175.A O no hydrogen 2.898 N/A VAL 148.A N SER 62.A O no hydrogen 2.880 N/A ILE 149.A N LEU 177.A O no hydrogen 2.869 N/A ARG 152.A N.A ASP 155.A OD2 no hydrogen 2.836 N/A ARG 152.A NE.B TRP 183.A O no hydrogen 3.302 N/A ARG 152.A NH1.A TRP 183.A O no hydrogen 2.706 N/A ARG 152.A NH1.A ASP 280.A OD1 no hydrogen 3.078 N/A ARG 152.A NH1.B ASP 70.A OD1 no hydrogen 2.905 N/A ARG 152.A NH1.B ASP 70.A OD2 no hydrogen 3.278 N/A ARG 152.A NH1.B GLU 283.A OE1 no hydrogen 3.383 N/A ARG 152.A NH1.B GLU 283.A OE2 no hydrogen 3.213 N/A ARG 152.A NH2.A ASP 280.A OD1 no hydrogen 3.125 N/A ARG 152.A NH2.B ASP 280.A OD1 no hydrogen 3.009 N/A ARG 152.A NH2.B GLU 283.A OE1 no hydrogen 2.790 N/A HIS 153.A N LEU 181.A O no hydrogen 2.934 N/A HIS 153.A ND1 GLY 158.A O no hydrogen 2.775 N/A ASP 155.A N ARG 152.A O no hydrogen 2.974 N/A GLY 158.A N ASP 155.A O no hydrogen 2.890 N/A LYS 162.A N GLN 165.A OE1 no hydrogen 2.939 N/A GLN 165.A N ARG 176.A O no hydrogen 3.069 N/A GLN 165.A NE2 HIS 160.A O no hydrogen 3.224 N/A THR 167.A N PHE 174.A O no hydrogen 2.994 N/A THR 167.A OG1 PRO 172.A O no hydrogen 2.771 N/A THR 167.A OG1 PHE 174.A O no hydrogen 3.375 N/A TRP 171.A N ASP 168.A O no hydrogen 3.078 N/A PHE 174.A N THR 167.A OG1 no hydrogen 3.402 N/A TYR 175.A N LYS 145.A O no hydrogen 2.964 N/A ARG 176.A N GLN 165.A O no hydrogen 2.765 N/A ARG 176.A NE GLN 165.A O no hydrogen 3.496 N/A ARG 176.A NH2 LYS 166.A O no hydrogen 2.846 N/A LEU 177.A N ILE 147.A O no hydrogen 2.875 N/A GLN 178.A N PRO 163.A O no hydrogen 2.764 N/A GLN 178.A NE2 LYS 162.A O no hydrogen 2.827 N/A GLN 178.A NE2 GLN 165.A OE1 no hydrogen 2.981 N/A HIS 182.A NE2 ALA 38.A O no hydrogen 2.936 N/A TRP 183.A N LEU 180.A O no hydrogen 3.069 N/A TRP 183.A NE1 THR 42.A OG1 no hydrogen 2.916 N/A ASN 184.A N ASN 187.A OD1 no hydrogen 2.900 N/A ASN 184.A ND2 ASN 187.A OD1 no hydrogen 2.907 N/A LEU 185.A N ASP 280.A OD1 no hydrogen 2.847 N/A ASN 187.A ND2 GLN 34.A OE1 no hydrogen 2.896 N/A ASN 187.A ND2 THR 35.A OG1 no hydrogen 2.901 N/A ILE 188.A N ASN 184.A O no hydrogen 3.087 N/A TRP 189.A N LEU 185.A O no hydrogen 3.087 N/A TRP 189.A NE1 LEU 277.A O no hydrogen 2.903 N/A SER 190.A N ALA 186.A O no hydrogen 3.012 N/A SER 190.A OG TYR 21.A OH no hydrogen 2.606 N/A SER 190.A OG GLU 238.A OE2 no hydrogen 2.604 N/A PHE 191.A N ASN 187.A O no hydrogen 3.071 N/A LEU 192.A N ILE 188.A O no hydrogen 2.984 N/A LEU 193.A N TRP 189.A O no hydrogen 2.882 N/A TYR 194.A N SER 190.A O no hydrogen 3.035 N/A TYR 194.A OH SER 20.A OG.A no hydrogen 2.416 N/A SER 195.A N PHE 191.A O no hydrogen 2.933 N/A SER 195.A OG LEU 192.A O no hydrogen 2.714 N/A ASN 196.A N LEU 193.A O no hydrogen 3.361 N/A ASN 196.A ND2 TYR 243.A O no hydrogen 2.883 N/A GLU 197.A N SER 195.A OG no hydrogen 3.111 N/A TYR 203.A N CYS 200.A O no hydrogen 3.254 N/A ARG 204.A N GLU 201.A O no hydrogen 3.059 N/A ARG 204.A NH1 ARG 204.A O no hydrogen 2.972 N/A TYR 205.A N LEU 202.A O no hydrogen 2.986 N/A GLY 206.A N TYR 203.A O no hydrogen 3.110 N/A THR 208.A OG1 GLU 283.A O no hydrogen 2.671 N/A GLY 211.A N SER 209.A O.A no hydrogen 3.222 N/A ASN 212.A N GLU 215.A OE2.A no hydrogen 2.980 N/A ASN 212.A ND2 GLU 215.A OE1.B no hydrogen 2.931 N/A VAL 213.A N ASP 99.A O no hydrogen 2.858 N/A GLU 214.A N GLU 214.A OE2 no hydrogen 2.838 N/A GLU 215.A N ASN 212.A O no hydrogen 3.388 N/A GLU 215.A N ASN 212.A OD1 no hydrogen 2.858 N/A THR 216.A N ASN 212.A O no hydrogen 3.042 N/A THR 216.A OG1 ASN 212.A O no hydrogen 2.776 N/A LEU 217.A N GLY 286.A O no hydrogen 2.995 N/A ASN 219.A N GLY 206.A O no hydrogen 2.903 N/A ASN 219.A ND2 THR 208.A OG1 no hydrogen 2.905 N/A ASN 219.A ND2 LEU 282.A O no hydrogen 2.879 N/A HIS 221.A N ASN 219.A OD1 no hydrogen 2.928 N/A LEU 222.A N ASN 219.A O no hydrogen 2.860 N/A ARG 223.A N PRO 220.A O no hydrogen 3.195 N/A ARG 223.A NH1 GLU 269.A OE1 no hydrogen 3.063 N/A ARG 223.A NH2 ASP 225.A OD2 no hydrogen 2.974 N/A LYS 224.A N ASP 270.A O no hydrogen 2.835 N/A LYS 224.A NZ ASP 270.A OD2 no hydrogen 2.860 N/A ASN 227.A N ASP 225.A OD1 no hydrogen 2.825 N/A SER 228.A N ASP 225.A O no hydrogen 3.141 N/A LEU 231.A N TYR 272.A OH no hydrogen 3.155 N/A LYS 232.A NZ.B PRO 230.A O no hydrogen 2.981 N/A GLU 238.A N GLU 238.A OE1 no hydrogen 2.721 N/A ILE 239.A N PHE 235.A O no hydrogen 3.064 N/A GLU 240.A N GLU 236.A O no hydrogen 2.916 N/A ASN 241.A N TRP 237.A O no hydrogen 2.863 N/A TYR 243.A N TYR 194.A O no hydrogen 2.815 N/A HIS 245.A NE2 ASN 196.A O no hydrogen 2.920 N/A ASN 246.A N THR 249.A OG1 no hydrogen 2.924 N/A THR 249.A N ASN 246.A OD1 no hydrogen 2.927 N/A THR 249.A OG1 HIS 245.A ND1 no hydrogen 3.196 N/A THR 249.A OG1 ASN 246.A OD1 no hydrogen 3.240 N/A ALA 257.A N THR 103.A OG1 no hydrogen 2.885 N/A ASP 260.A N ALA 257.A O no hydrogen 2.930 N/A LEU 261.A N ALA 257.A O no hydrogen 3.002 N/A VAL 262.A N ASP 258.A O.A no hydrogen 3.148 N/A VAL 262.A N ASP 258.A O.B no hydrogen 2.902 N/A LYS 263.A N GLU 259.A O no hydrogen 3.208 N/A LYS 263.A NZ ASP 260.A OD1 no hydrogen 3.030 N/A ILE 264.A N ASP 260.A O no hydrogen 2.991 N/A GLU 265.A N LEU 261.A O no hydrogen 2.810 N/A ASN 266.A N VAL 262.A O no hydrogen 2.953 N/A LEU 267.A N ILE 264.A O no hydrogen 3.134 N/A HIS 268.A N GLU 265.A O no hydrogen 3.100 N/A TYR 272.A N LEU 222.A O no hydrogen 2.876 N/A GLY 274.A N TYR 203.A O no hydrogen 2.834 N/A TYR 276.A N PRO 273.A O no hydrogen 2.939 N/A LEU 277.A N GLY 274.A O no hydrogen 2.926 N/A LYS 281.A N ASP 279.A OD1 no hydrogen 2.889 N/A LYS 281.A NZ ASP 279.A OD1 no hydrogen 2.805 N/A LEU 282.A N ASP 279.A O no hydrogen 2.935 N/A GLU 283.A N ASP 280.A O no hydrogen 3.314 N/A ARG 284.A NH1 ASP 155.A OD1 no hydrogen 3.240 N/A ARG 284.A NH2 ASP 155.A OD1 no hydrogen 2.945 N/A ALA 285.A N LEU 282.A O no hydrogen 3.022 N/A ARG 287.A NH1 SER 209.A O.A no hydrogen 3.119 N/A ARG 287.A NH1 GLY 286.A O no hydrogen 2.938 N/A ARG 287.A NH2 SER 209.A OG no hydrogen 3.051 N/A ILE 288.A N GLU 215.A O no hydrogen 2.833 N/A