Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4r5a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N HIS 10.A O no hydrogen 3.043 N/A SER 2.A OG SER 2.A O no hydrogen 2.126 N/A GLY 6.A N ASN 11.A O no hydrogen 2.992 N/A GLY 8.A N ASN 11.A OD1 no hydrogen 2.695 N/A ASN 11.A N GLY 8.A O no hydrogen 3.222 N/A HIS 15.A N GLY 12.A O no hydrogen 2.744 N/A HIS 15.A NE2 LYS 9.A O no hydrogen 3.047 N/A TRP 16.A N PRO 13.A O no hydrogen 3.310 N/A TRP 16.A NE1 GLY 6.A O no hydrogen 3.031 N/A LYS 18.A N HIS 15.A O no hydrogen 3.130 N/A LYS 18.A NZ HIS 15.A ND1 no hydrogen 2.910 N/A ASP 19.A N TRP 16.A O no hydrogen 3.085 N/A PHE 20.A N TRP 16.A O no hydrogen 2.880 N/A ALA 23.A N PHE 20.A O no hydrogen 2.890 N/A LYS 24.A N PRO 21.A O no hydrogen 3.234 N/A GLY 25.A N ILE 22.A O.A no hydrogen 2.778 N/A GLY 25.A N ILE 22.A O.B no hydrogen 2.784 N/A ARG 27.A N GLU 203.A OE2 no hydrogen 2.970 N/A ARG 27.A NE GLY 194.A O no hydrogen 2.999 N/A ARG 27.A NH1 PRO 137.A O no hydrogen 3.347 N/A ARG 27.A NH2 PRO 137.A O no hydrogen 3.180 N/A ARG 27.A NH2 GLY 194.A O no hydrogen 2.982 N/A ARG 27.A NH2 VAL 205.A O no hydrogen 3.012 N/A GLN 28.A NE2 LEU 201.A O no hydrogen 3.140 N/A GLN 28.A NE2 GLU 203.A OE2 no hydrogen 3.044 N/A SER 29.A N SER 195.A OG no hydrogen 2.815 N/A SER 29.A OG TYR 192.A OH no hydrogen 2.832 N/A SER 29.A OG SER 195.A O no hydrogen 3.553 N/A ILE 33.A N THR 108.A O no hydrogen 2.780 N/A THR 35.A N ASP 110.A OD1 no hydrogen 2.794 N/A THR 35.A OG1 ASP 110.A OD1 no hydrogen 3.336 N/A THR 35.A OG1 ASP 110.A OD2 no hydrogen 2.573 N/A HIS 36.A N ASP 34.A OD1.B no hydrogen 3.107 N/A THR 37.A N ASP 34.A O no hydrogen 3.001 N/A THR 37.A OG1 ASP 34.A OD1.A no hydrogen 2.730 N/A THR 37.A OG1 ASP 34.A OD2.B no hydrogen 3.103 N/A ALA 38.A N ASP 34.A O no hydrogen 3.022 N/A LYS 39.A N ILE 254.A O no hydrogen 3.073 N/A ASP 41.A N ALA 256.A O no hydrogen 2.913 N/A SER 43.A N ASP 41.A OD1 no hydrogen 2.956 N/A SER 43.A OG ASP 41.A OD1 no hydrogen 2.510 N/A SER 43.A OG ASP 41.A OD2 no hydrogen 3.226 N/A LEU 44.A N ASP 41.A O no hydrogen 3.029 N/A SER 48.A N LYS 80.A O no hydrogen 2.856 N/A SER 50.A N VAL 78.A O no hydrogen 2.901 N/A SER 50.A OG.B ASP 52.A OD2.B no hydrogen 3.077 N/A TYR 51.A OH HIS 122.A NE2 no hydrogen 2.717 N/A GLN 53.A NE2 ASP 52.A OD2.A no hydrogen 2.950 N/A ALA 54.A N TYR 51.A O no hydrogen 3.112 N/A SER 56.A OG PHE 174.A O no hydrogen 2.667 N/A LEU 57.A N THR 69.A O no hydrogen 2.712 N/A ARG 58.A NH2 SER 171.A OG no hydrogen 2.944 N/A ILE 59.A N ALA 172.A O no hydrogen 2.920 N/A LEU 60.A N GLN 67.A O no hydrogen 2.880 N/A ASN 61.A N LYS 170.A O no hydrogen 2.943 N/A ASN 61.A ND2 ILE 165.A O no hydrogen 3.171 N/A ASN 61.A ND2 ASN 228.A O no hydrogen 3.245 N/A ASN 62.A N SER 65.A O no hydrogen 3.050 N/A GLY 63.A N ASN 61.A OD1 no hydrogen 2.888 N/A HIS 64.A NE2 TRP 5.A O no hydrogen 2.905 N/A SER 65.A OG.A PHE 66.A O no hydrogen 3.207 N/A SER 65.A OG.A PHE 95.A O no hydrogen 2.667 N/A SER 65.A OG.B ASN 62.A OD1 no hydrogen 3.303 N/A GLN 67.A N LEU 60.A O no hydrogen 2.881 N/A VAL 68.A N PHE 93.A O no hydrogen 2.880 N/A THR 69.A N.A ARG 58.A O no hydrogen 2.906 N/A THR 69.A N.B ARG 58.A O no hydrogen 2.905 N/A THR 69.A OG1.A ARG 58.A O no hydrogen 3.408 N/A PHE 70.A N LEU 91.A O no hydrogen 2.771 N/A ASP 71.A N THR 55.A O no hydrogen 2.916 N/A SER 73.A N ASP 71.A OD1 no hydrogen 2.996 N/A SER 73.A OG ASP 71.A OD1 no hydrogen 2.642 N/A LYS 76.A N GLN 74.A O no hydrogen 2.831 N/A LYS 76.A NZ THR 55.A OG1 no hydrogen 3.062 N/A LYS 76.A NZ ASP 71.A OD2 no hydrogen 2.922 N/A VAL 78.A N SER 50.A O no hydrogen 2.924 N/A LEU 79.A N TYR 88.A O no hydrogen 2.780 N/A LYS 80.A N SER 48.A O no hydrogen 2.884 N/A GLY 82.A N PRO 46.A O no hydrogen 3.079 N/A LEU 84.A N GLY 81.A O no hydrogen 2.865 N/A TYR 88.A N LEU 79.A O no hydrogen 3.003 N/A TYR 88.A OH ASP 138.A O no hydrogen 2.946 N/A ARG 89.A N TRP 123.A O no hydrogen 2.891 N/A ARG 89.A NE ASP 75.A OD1 no hydrogen 2.529 N/A ARG 89.A NH1 ASP 72.A O no hydrogen 2.948 N/A ARG 89.A NH2 ASP 75.A OD1 no hydrogen 2.986 N/A LEU 90.A N ALA 77.A O no hydrogen 2.824 N/A LEU 91.A N VAL 121.A O no hydrogen 2.858 N/A PHE 93.A N VAL 68.A O no hydrogen 2.985 N/A HIS 94.A N HIS 119.A O no hydrogen 3.032 N/A HIS 94.A ND1 GLN 92.A OE1 no hydrogen 2.730 N/A HIS 96.A N GLU 117.A O no hydrogen 2.912 N/A HIS 96.A ND1 ASN 242.A O no hydrogen 2.755 N/A TRP 97.A N ASN 242.A OD1 no hydrogen 2.812 N/A TRP 97.A NE1 MET 239.A O no hydrogen 2.800 N/A SER 99.A N ASP 241.A OD1 no hydrogen 3.108 N/A SER 99.A OG ASP 241.A OD2 no hydrogen 2.722 N/A GLN 103.A N LEU 100.A O no hydrogen 3.283 N/A GLN 103.A NE2 ASP 241.A OD1 no hydrogen 2.786 N/A SER 105.A N TYR 114.A O no hydrogen 2.936 N/A SER 105.A OG HIS 107.A O no hydrogen 2.821 N/A GLU 106.A N GLU 117.A OE1 no hydrogen 2.846 N/A HIS 107.A N GLU 117.A OE1 no hydrogen 2.838 N/A HIS 107.A ND1 GLU 117.A OE2 no hydrogen 2.781 N/A HIS 107.A NE2 TYR 192.A OH no hydrogen 2.651 N/A THR 108.A N VAL 31.A O no hydrogen 3.493 N/A THR 108.A OG1 ASP 32.A OD1 no hydrogen 2.657 N/A VAL 109.A N LYS 112.A O no hydrogen 3.083 N/A ASP 110.A N ILE 33.A O no hydrogen 2.912 N/A LYS 111.A N ASP 32.A OD1 no hydrogen 2.823 N/A LYS 112.A N VAL 109.A O no hydrogen 2.819 N/A TYR 114.A N SER 105.A OG no hydrogen 2.912 N/A ALA 116.A N LEU 147.A O no hydrogen 3.407 N/A GLU 117.A N HIS 96.A O no hydrogen 2.877 N/A LEU 118.A N ILE 145.A O no hydrogen 2.792 N/A HIS 119.A N HIS 94.A O no hydrogen 2.903 N/A HIS 119.A NE2 GLU 117.A OE2 no hydrogen 2.655 N/A LEU 120.A N LEU 143.A O no hydrogen 2.912 N/A VAL 121.A N GLN 92.A O no hydrogen 2.826 N/A HIS 122.A N ALA 141.A O no hydrogen 2.909 N/A HIS 122.A ND1 ALA 141.A O no hydrogen 3.093 N/A HIS 122.A NE2 TYR 51.A OH no hydrogen 2.717 N/A TRP 123.A N ARG 89.A O no hydrogen 3.014 N/A TRP 123.A NE1 ASP 72.A OD2 no hydrogen 2.727 N/A ASN 124.A N GLY 139.A O no hydrogen 2.779 N/A ASN 124.A ND2 ASP 138.A O no hydrogen 3.184 N/A THR 125.A N THR 87.A O no hydrogen 2.977 N/A THR 125.A OG1 THR 87.A O no hydrogen 3.337 N/A LYS 126.A N ASN 124.A OD1 no hydrogen 3.141 N/A LYS 126.A NZ ASP 138.A OD2 no hydrogen 3.488 N/A TYR 127.A N ASN 124.A O no hydrogen 3.054 N/A TYR 127.A OH ASP 138.A OD1 no hydrogen 2.589 N/A GLY 128.A N THR 125.A O no hydrogen 3.160 N/A ASP 129.A N TYR 127.A O no hydrogen 2.879 N/A LYS 132.A N ASP 129.A OD1 no hydrogen 2.891 N/A ALA 133.A N ASP 129.A O no hydrogen 2.985 N/A VAL 134.A N VAL 130.A O no hydrogen 2.982 N/A GLN 135.A N LYS 132.A O no hydrogen 3.112 N/A GLN 135.A NE2 GLY 131.A O no hydrogen 3.075 N/A GLN 136.A N ALA 133.A O no hydrogen 3.035 N/A GLN 136.A NE2 LYS 132.A O no hydrogen 3.377 N/A GLY 139.A N GLN 136.A O no hydrogen 3.139 N/A LEU 140.A N CYS 204.A O no hydrogen 2.830 N/A ALA 141.A N HIS 122.A O no hydrogen 2.843 N/A VAL 142.A N THR 206.A O no hydrogen 3.187 N/A LEU 143.A N LEU 120.A O no hydrogen 2.987 N/A GLY 144.A N ILE 208.A O no hydrogen 2.787 N/A ILE 145.A N LEU 118.A O no hydrogen 2.883 N/A LEU 147.A N ALA 116.A O no hydrogen 2.999 N/A LYS 148.A N ILE 214.A O no hydrogen 2.967 N/A GLY 150.A N VAL 216.A O no hydrogen 2.823 N/A GLN 156.A N PRO 153.A O no hydrogen 3.122 N/A GLN 156.A NE2 ASP 160.A OD1 no hydrogen 3.133 N/A GLN 156.A NE2 ASP 160.A OD2 no hydrogen 3.159 N/A LYS 157.A NZ ASN 176.A O no hydrogen 3.166 N/A VAL 158.A N LEU 155.A O no hydrogen 2.920 N/A VAL 159.A N LEU 155.A O no hydrogen 3.189 N/A ASP 160.A N GLN 156.A O no hydrogen 3.020 N/A VAL 161.A N VAL 158.A O no hydrogen 3.235 N/A LEU 162.A N VAL 159.A O no hydrogen 3.367 N/A SER 164.A N VAL 161.A O no hydrogen 2.917 N/A SER 164.A OG VAL 161.A O no hydrogen 2.668 N/A ILE 165.A N LEU 162.A O no hydrogen 3.001 N/A GLU 168.A N ASN 230.A O no hydrogen 2.977 N/A GLY 169.A N ASN 61.A O no hydrogen 2.814 N/A LYS 170.A N THR 167.A O no hydrogen 3.151 N/A LYS 170.A NZ SER 164.A O no hydrogen 3.410 N/A ALA 172.A N ILE 59.A O no hydrogen 2.887 N/A PHE 174.A N LEU 57.A O no hydrogen 3.015 N/A THR 175.A N ASP 173.A OD2 no hydrogen 3.095 N/A THR 175.A OG1 ASP 173.A OD2 no hydrogen 3.031 N/A THR 175.A OG1 ASN 176.A OD1 no hydrogen 3.325 N/A PHE 177.A N SER 56.A OG no hydrogen 2.923 N/A ARG 180.A N ASP 178.A OD1 no hydrogen 2.976 N/A ARG 180.A NE ASP 178.A OD1 no hydrogen 3.050 N/A ARG 180.A NE ASP 178.A OD2 no hydrogen 3.246 N/A ARG 180.A NH1 ASP 52.A OD1.A no hydrogen 3.026 N/A ARG 180.A NH2 ASP 178.A OD2 no hydrogen 2.805 N/A GLY 181.A N ASP 178.A O no hydrogen 3.201 N/A LEU 182.A N PRO 179.A O no hydrogen 3.050 N/A LEU 183.A N ARG 180.A O no hydrogen 3.417 N/A SER 186.A N GLU 212.A OE1 no hydrogen 2.958 N/A ASP 188.A N SER 186.A OG no hydrogen 3.129 N/A TYR 189.A N SER 257.A OG no hydrogen 2.974 N/A TYR 189.A OH LYS 45.A O no hydrogen 3.095 N/A TRP 190.A N VAL 209.A O no hydrogen 2.829 N/A THR 191.A N LYS 255.A O no hydrogen 2.857 N/A THR 191.A OG1 TRP 207.A O no hydrogen 2.730 N/A TYR 192.A N TRP 207.A O no hydrogen 3.293 N/A TYR 192.A OH SER 29.A OG no hydrogen 2.832 N/A TYR 192.A OH HIS 107.A NE2 no hydrogen 2.651 N/A GLY 194.A N VAL 205.A O no hydrogen 2.770 N/A SER 195.A N SER 29.A OG no hydrogen 2.932 N/A SER 195.A OG LEU 196.A O no hydrogen 2.796 N/A LEU 196.A N ALA 202.A O no hydrogen 2.936 N/A THR 197.A OG1 GLU 106.A OE1 no hydrogen 2.569 N/A THR 197.A OG1 GLU 106.A OE2 no hydrogen 3.388 N/A THR 198.A OG1 PRO 199.A O no hydrogen 3.117 N/A LEU 201.A N THR 198.A O no hydrogen 2.757 N/A CYS 204.A SG ALA 202.A O no hydrogen 3.721 N/A VAL 205.A N GLY 194.A O no hydrogen 3.282 N/A THR 206.A N LEU 140.A O no hydrogen 2.877 N/A TRP 207.A N TYR 192.A O no hydrogen 2.974 N/A TRP 207.A NE1 SER 195.A O no hydrogen 2.906 N/A ILE 208.A N VAL 142.A O no hydrogen 3.008 N/A VAL 209.A N TRP 190.A O no hydrogen 2.840 N/A LEU 210.A N GLY 144.A O no hydrogen 2.874 N/A LYS 211.A N ASP 188.A O no hydrogen 3.006 N/A LYS 211.A NZ ASP 188.A OD2 no hydrogen 2.889 N/A ILE 214.A N PHE 146.A O no hydrogen 2.851 N/A SER 215.A OG.B SER 151.A O.A no hydrogen 2.971 N/A SER 215.A OG.B SER 151.A O.B no hydrogen 2.969 N/A VAL 216.A N LYS 148.A O no hydrogen 2.915 N/A SER 217.A N GLN 220.A OE1 no hydrogen 3.056 N/A SER 217.A OG GLU 219.A OE1 no hydrogen 3.539 N/A SER 218.A OG GLU 219.A OE1 no hydrogen 3.418 N/A GLU 219.A N GLU 219.A OE1 no hydrogen 2.830 N/A GLN 220.A N SER 217.A OG no hydrogen 3.205 N/A GLN 220.A NE2 GLN 156.A OE1 no hydrogen 2.941 N/A VAL 221.A N SER 217.A O no hydrogen 3.071 N/A LEU 222.A N SER 218.A O no hydrogen 2.940 N/A LYS 223.A N GLU 219.A O no hydrogen 3.361 N/A LYS 223.A N GLN 220.A O no hydrogen 3.214 N/A ARG 225.A N VAL 221.A O no hydrogen 3.217 N/A ARG 225.A NE GLY 98.A O no hydrogen 2.873 N/A ARG 225.A NH1 ASP 101.A OD1 no hydrogen 3.542 N/A ARG 225.A NH2 ASP 101.A OD1 no hydrogen 2.799 N/A LYS 226.A N LYS 223.A O no hydrogen 3.270 N/A LEU 227.A N PHE 224.A O no hydrogen 3.279 N/A ASN 228.A N LYS 166.A O no hydrogen 2.794 N/A ASN 228.A ND2 GLU 236.A OE2 no hydrogen 3.488 N/A PHE 229.A N GLU 237.A O no hydrogen 2.933 N/A ASN 230.A ND2 GLY 231.A O no hydrogen 3.064 N/A GLY 231.A N GLU 234.A OE1 no hydrogen 3.152 N/A GLU 234.A N GLY 231.A O no hydrogen 3.155 N/A GLU 237.A N ASN 230.A OD1 no hydrogen 2.797 N/A MET 239.A N LEU 227.A O no hydrogen 2.752 N/A ASN 242.A N TRP 97.A O no hydrogen 3.320 N/A ASN 242.A ND2 HIS 64.A O no hydrogen 2.801 N/A TRP 243.A NE1 ASP 241.A OD1 no hydrogen 3.023 N/A ARG 244.A N GLU 106.A OE2 no hydrogen 2.794 N/A ARG 244.A NH1 GLN 28.A OE1 no hydrogen 2.802 N/A ARG 244.A NH1 SER 29.A O no hydrogen 2.780 N/A ARG 244.A NH2 ALA 23.A O no hydrogen 3.223 N/A ARG 244.A NH2 GLN 28.A OE1 no hydrogen 3.312 N/A GLN 247.A N PRO 30.A O no hydrogen 2.797 N/A GLN 247.A NE2 PRO 245.A O no hydrogen 2.815 N/A LYS 250.A NZ LYS 24.A O no hydrogen 3.360 N/A LYS 250.A NZ GLY 25.A O no hydrogen 3.193 N/A LYS 250.A NZ GLU 26.A OE2 no hydrogen 3.328 N/A ARG 252.A NE LEU 249.A O no hydrogen 2.802 N/A ARG 252.A NH1 GLN 28.A O no hydrogen 3.077 N/A ARG 252.A NH1 PRO 193.A O no hydrogen 2.915 N/A ARG 252.A NH2 GLN 28.A O no hydrogen 2.861 N/A ARG 252.A NH2 PRO 248.A O no hydrogen 2.838 N/A ARG 252.A NH2 LEU 249.A O no hydrogen 3.499 N/A LYS 255.A N THR 191.A O no hydrogen 2.995 N/A ALA 256.A N LYS 39.A O no hydrogen 2.781 N/A SER 257.A N TYR 189.A O no hydrogen 2.937 N/A SER 257.A OG TYR 189.A O no hydrogen 3.409 N/A