Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5aoa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 76.A OD2 no hydrogen 2.521 N/A ALA 10.A N MET 7.A O no hydrogen 3.139 N/A GLU 11.A N ILE 27.A O no hydrogen 2.953 N/A LYS 13.A N LEU 25.A O no hydrogen 3.091 N/A LYS 13.A NZ GLU 107.A OE2.B no hydrogen 3.391 N/A TYR 15.A N LEU 23.A O no hydrogen 2.842 N/A TYR 15.A OH ASP 76.A O no hydrogen 2.558 N/A LYS 16.A NZ ASP 93.A OD1 no hydrogen 2.856 N/A LYS 16.A NZ SER 96.A OG no hydrogen 3.047 N/A LYS 17.A NZ ASP 22.A OD1 no hydrogen 2.986 N/A VAL 18.A N VAL 21.A O no hydrogen 3.018 N/A VAL 21.A N VAL 18.A O no hydrogen 2.789 N/A LEU 23.A N LYS 16.A O no hydrogen 2.701 N/A LEU 25.A N LYS 13.A O no hydrogen 2.773 N/A TYR 26.A N ALA 74.A O no hydrogen 2.850 N/A ILE 27.A N GLU 11.A O no hydrogen 2.745 N/A TYR 28.A N ALA 72.A O no hydrogen 2.672 N/A TYR 28.A OH PRO 8.A O no hydrogen 3.325 N/A LYS 29.A NZ GLU 11.A OE1 no hydrogen 2.723 N/A TRP 33.A N PRO 30.A O no hydrogen 2.998 N/A TRP 33.A NE1 LEU 108.A O no hydrogen 2.801 N/A LYS 34.A N ASP 37.A OD2 no hydrogen 2.880 N/A ASP 37.A N LYS 34.A O no hydrogen 3.126 N/A ARG 38.A NH1.B VAL 110.A O no hydrogen 2.823 N/A ARG 39.A N GLY 109.A O no hydrogen 2.859 N/A ARG 39.A NE ASP 37.A OD2 no hydrogen 2.798 N/A ARG 39.A NH1 GLY 69.A O no hydrogen 2.899 N/A ARG 39.A NH2 ASP 32.A OD2 no hydrogen 3.369 N/A ARG 39.A NH2 ASP 37.A OD2 no hydrogen 3.073 N/A SER 40.A OG PHE 267.A O no hydrogen 2.741 N/A ALA 41.A N LYS 114.A O no hydrogen 2.906 N/A ILE 42.A N VAL 71.A O no hydrogen 3.061 N/A VAL 43.A N VAL 116.A O no hydrogen 2.844 N/A PHE 44.A N MET 73.A O no hydrogen 2.766 N/A PHE 45.A N SER 118.A O no hydrogen 2.767 N/A GLY 47.A N GLN 57.A OE1 no hydrogen 2.823 N/A GLN 51.A N GLY 48.A O no hydrogen 2.963 N/A SER 52.A N GLY 48.A O no hydrogen 3.034 N/A SER 54.A OG ARG 2.A O no hydrogen 2.601 N/A ALA 56.A N SER 54.A OG no hydrogen 3.179 N/A GLN 57.A N SER 54.A O no hydrogen 3.054 N/A GLN 57.A NE2 ASN 242.A OD1 no hydrogen 3.014 N/A PHE 58.A N PRO 55.A O no hydrogen 3.186 N/A ARG 59.A N ALA 56.A O no hydrogen 3.127 N/A ARG 59.A NE.A GLU 63.A OE2 no hydrogen 3.207 N/A ARG 59.A NE.B GLU 63.A OE2 no hydrogen 3.080 N/A GLN 61.A N GLN 61.A OE1 no hydrogen 2.772 N/A CYS 62.A N PHE 58.A O no hydrogen 2.971 N/A CYS 62.A SG PHE 58.A O no hydrogen 3.404 N/A GLU 63.A N ARG 59.A O no hydrogen 3.000 N/A TYR 64.A N PRO 60.A O no hydrogen 2.978 N/A TYR 64.A OH ASP 259.A OD2 no hydrogen 2.525 N/A PHE 65.A N GLN 61.A O no hydrogen 3.035 N/A ALA 66.A N CYS 62.A O no hydrogen 2.922 N/A GLY 67.A N GLU 63.A O no hydrogen 3.019 N/A ARG 68.A N TYR 64.A O no hydrogen 3.091 N/A ARG 68.A N PHE 65.A O no hydrogen 3.105 N/A ARG 68.A NE ASP 259.A OD2 no hydrogen 2.668 N/A ARG 68.A NH1 ALA 269.A O no hydrogen 3.233 N/A ARG 68.A NH2 ASP 259.A OD1 no hydrogen 2.878 N/A ARG 68.A NH2 ALA 269.A O no hydrogen 2.876 N/A GLY 69.A N ALA 66.A O no hydrogen 2.946 N/A MET 70.A N PHE 65.A O no hydrogen 2.997 N/A VAL 71.A N SER 40.A O no hydrogen 3.024 N/A ALA 72.A N TYR 28.A O no hydrogen 2.960 N/A MET 73.A N ILE 42.A O no hydrogen 2.819 N/A ALA 74.A N TYR 26.A O no hydrogen 3.063 N/A ALA 75.A N PHE 44.A O no hydrogen 2.924 N/A ASP 76.A N LYS 24.A O no hydrogen 2.857 N/A TYR 77.A OH PHE 46.A O no hydrogen 2.623 N/A ARG 78.A N ASP 93.A OD2 no hydrogen 2.939 N/A ARG 78.A NE ASP 93.A OD1 no hydrogen 3.373 N/A ARG 78.A NE ASP 93.A OD2 no hydrogen 2.887 N/A ARG 78.A NH1 ASP 19.A OD2 no hydrogen 2.808 N/A ARG 78.A NH2 ASP 93.A OD1 no hydrogen 2.864 N/A VAL 79.A N HIS 83.A ND1 no hydrogen 3.202 N/A GLY 80.A N TRP 50.A O no hydrogen 2.899 N/A SER 81.A N GLN 51.A O no hydrogen 2.914 N/A SER 81.A OG GLN 51.A O no hydrogen 2.611 N/A ARG 82.A NH1 GLY 53.A O no hydrogen 3.351 N/A ARG 82.A NH2 GLY 53.A O no hydrogen 2.746 N/A HIS 83.A N VAL 79.A O no hydrogen 2.901 N/A ASN 84.A N GLY 80.A O no hydrogen 2.984 N/A LYS 86.A N ASP 89.A OD2 no hydrogen 2.888 N/A LYS 86.A NZ.A GLU 176.A O no hydrogen 2.641 N/A LYS 86.A NZ.A GLU 176.A OE2.B no hydrogen 3.301 N/A ALA 88.A N LEU 178.A O no hydrogen 2.963 N/A ASP 89.A N LYS 86.A O no hydrogen 2.948 N/A CYS 90.A N LYS 86.A O no hydrogen 3.378 N/A CYS 90.A SG ARG 78.A O no hydrogen 3.144 N/A CYS 90.A SG LYS 86.A O no hydrogen 3.648 N/A VAL 91.A N VAL 87.A O no hydrogen 2.989 N/A ALA 92.A N ALA 88.A O no hydrogen 3.073 N/A ASP 93.A N ASP 89.A O no hydrogen 2.920 N/A ALA 94.A N CYS 90.A O no hydrogen 2.973 N/A LYS 95.A N VAL 91.A O no hydrogen 3.003 N/A LYS 95.A NZ VAL 133.A O no hydrogen 2.659 N/A LYS 95.A NZ ASP 135.A OD1 no hydrogen 2.779 N/A SER 96.A N ALA 92.A O no hydrogen 2.892 N/A SER 96.A OG ALA 92.A O no hydrogen 3.009 N/A SER 96.A OG GLU 141.A OE1.A no hydrogen 2.686 N/A SER 96.A OG GLU 141.A OE2.A no hydrogen 3.346 N/A SER 96.A OG GLU 141.A OE2.B no hydrogen 2.807 N/A ALA 97.A N ASP 93.A O no hydrogen 2.915 N/A ILE 98.A N ALA 94.A O no hydrogen 3.172 N/A ARG 99.A N LYS 95.A O no hydrogen 2.943 N/A ARG 99.A NE.B ILE 145.A O no hydrogen 2.582 N/A ARG 99.A NH1.B GLU 141.A OE2.A no hydrogen 2.693 N/A ARG 99.A NH2.A ASP 135.A OD2 no hydrogen 2.663 N/A ARG 99.A NH2.B ASP 135.A OD2 no hydrogen 3.245 N/A ARG 99.A NH2.B ILE 145.A O no hydrogen 2.950 N/A TRP 100.A N SER 96.A O no hydrogen 2.888 N/A VAL 101.A N ALA 97.A O no hydrogen 2.960 N/A ARG 102.A N ILE 98.A O no hydrogen 2.921 N/A ARG 102.A NE PRO 112.A O no hydrogen 2.840 N/A ARG 102.A NH1 SER 146.A O no hydrogen 2.911 N/A ARG 102.A NH1 GLN 148.A O no hydrogen 2.796 N/A ARG 102.A NH2 PRO 112.A O no hydrogen 3.047 N/A ARG 102.A NH2 GLN 148.A O no hydrogen 2.987 N/A ARG 102.A NH2 ASN 150.A OD1 no hydrogen 2.822 N/A GLN 103.A N ARG 99.A O no hydrogen 2.780 N/A HIS 104.A N TRP 100.A O no hydrogen 2.873 N/A HIS 104.A ND1 GLU 107.A OE2.A no hydrogen 2.740 N/A ALA 105.A N ARG 102.A O no hydrogen 3.257 N/A LEU 108.A N HIS 104.A O no hydrogen 3.075 N/A GLY 109.A N ALA 106.A O no hydrogen 3.071 N/A VAL 110.A N ALA 105.A O no hydrogen 2.822 N/A ASP 111.A N ARG 39.A O no hydrogen 2.750 N/A GLN 113.A N ASP 111.A OD1 no hydrogen 2.909 N/A LYS 114.A N ASP 111.A O no hydrogen 2.916 N/A LYS 114.A NZ GLY 266.A O no hydrogen 3.097 N/A ILE 115.A N ASN 150.A OD1 no hydrogen 3.025 N/A VAL 116.A N ALA 41.A O no hydrogen 2.757 N/A ALA 117.A N ALA 151.A O no hydrogen 2.925 N/A SER 118.A N VAL 43.A O no hydrogen 2.903 N/A SER 118.A OG ILE 153.A O no hydrogen 2.600 N/A GLY 120.A N PHE 45.A O no hydrogen 3.231 N/A SER 121.A N PHE 155.A O no hydrogen 2.839 N/A SER 121.A OG HIS 238.A NE2 no hydrogen 2.858 N/A GLY 123.A N GLY 120.A O no hydrogen 2.809 N/A HIS 125.A N SER 121.A O no hydrogen 2.873 N/A HIS 125.A NE2 VAL 185.A O no hydrogen 2.713 N/A LEU 126.A N ALA 122.A O no hydrogen 3.067 N/A ALA 127.A N GLY 123.A O no hydrogen 2.958 N/A ALA 128.A N GLY 124.A O no hydrogen 2.912 N/A CYS 129.A N HIS 125.A O no hydrogen 2.883 N/A CYS 129.A SG HIS 125.A O no hydrogen 3.366 N/A THR 130.A N LEU 126.A O no hydrogen 2.992 N/A THR 130.A OG1 ALA 127.A O no hydrogen 2.779 N/A VAL 131.A N ALA 128.A O no hydrogen 3.131 N/A MET 132.A N ALA 128.A O no hydrogen 3.059 N/A VAL 133.A N CYS 129.A O no hydrogen 3.040 N/A THR 144.A N ASP 142.A OD1 no hydrogen 3.152 N/A THR 144.A OG1 ASP 142.A OD1 no hydrogen 2.468 N/A THR 144.A OG1 ASP 142.A OD2 no hydrogen 3.419 N/A ILE 145.A N ASP 142.A O no hydrogen 3.202 N/A SER 147.A OG ASP 135.A OD1 no hydrogen 2.659 N/A SER 147.A OG ASP 135.A OD2 no hydrogen 3.372 N/A GLN 148.A N SER 146.A OG no hydrogen 3.039 N/A GLN 148.A NE2 VAL 131.A O no hydrogen 2.723 N/A ALA 149.A N THR 130.A O no hydrogen 3.136 N/A ASN 150.A N ILE 115.A O no hydrogen 2.810 N/A ASN 150.A ND2 GLN 113.A OE1 no hydrogen 2.913 N/A ALA 152.A N PRO 197.A O no hydrogen 3.067 N/A ILE 153.A N ALA 117.A O no hydrogen 2.995 N/A LEU 154.A N ILE 199.A O no hydrogen 2.846 N/A PHE 155.A N GLY 119.A O no hydrogen 2.922 N/A ASN 156.A N PHE 201.A O no hydrogen 2.770 N/A ASN 156.A ND2 ASN 156.A O no hydrogen 2.747 N/A LEU 161.A N SER 186.A OG no hydrogen 2.854 N/A SER 162.A OG GLU 171.A OE1 no hydrogen 2.795 N/A ARG 163.A N GLU 171.A OE2 no hydrogen 3.163 N/A GLU 164.A N SER 162.A OG no hydrogen 3.179 N/A LEU 166.A N ARG 163.A O no hydrogen 3.204 N/A ARG 167.A NE.A ASP 169.A OD1 no hydrogen 3.025 N/A ARG 167.A NE.B ASP 169.A OD1 no hydrogen 3.506 N/A ARG 167.A NH2.B ASP 169.A OD2 no hydrogen 3.353 N/A TRP 170.A N ARG 167.A O no hydrogen 3.191 N/A GLU 171.A N ARG 167.A O no hydrogen 3.433 N/A GLU 172.A N GLN 168.A O no hydrogen 2.968 N/A ARG 173.A N ASP 169.A O no hydrogen 2.843 N/A LEU 174.A N TRP 170.A O no hydrogen 2.854 N/A ARG 175.A N GLU 171.A O no hydrogen 2.906 N/A ARG 175.A NE GLU 172.A OE1.B no hydrogen 2.936 N/A ARG 175.A NH2 GLU 172.A OE1.B no hydrogen 3.146 N/A GLU 176.A N GLU 172.A O no hydrogen 3.242 N/A ARG 177.A N ARG 173.A O no hydrogen 3.070 N/A LEU 178.A N LEU 174.A O no hydrogen 2.812 N/A GLY 179.A N ARG 175.A O no hydrogen 3.022 N/A LYS 183.A NZ.A GLU 164.A OE1 no hydrogen 3.098 N/A LYS 183.A NZ.A GLU 164.A OE2 no hydrogen 3.009 N/A LYS 183.A NZ.A GLU 181.A OE2.B no hydrogen 3.016 N/A ALA 184.A N GLU 181.A O no hydrogen 2.878 N/A VAL 185.A N PRO 182.A O no hydrogen 3.234 N/A SER 186.A N LYS 183.A O no hydrogen 3.219 N/A SER 186.A OG HIS 189.A ND1 no hydrogen 2.804 N/A TYR 188.A N LEU 159.A O no hydrogen 2.890 N/A HIS 189.A N SER 186.A O no hydrogen 2.922 N/A HIS 189.A ND1 SER 186.A OG no hydrogen 2.804 N/A HIS 189.A NE2 GLU 164.A O no hydrogen 2.761 N/A HIS 190.A N PRO 187.A O no hydrogen 2.911 N/A HIS 190.A NE2 LYS 183.A O no hydrogen 2.755 N/A LEU 195.A N ASN 226.A OD1 no hydrogen 2.899 N/A MET 198.A N ARG 227.A O no hydrogen 2.932 N/A ILE 199.A N ALA 152.A O no hydrogen 3.139 N/A ILE 200.A N GLU 229.A O no hydrogen 2.794 N/A PHE 201.A N LEU 154.A O no hydrogen 2.916 N/A HIS 202.A N VAL 231.A O no hydrogen 3.166 N/A HIS 202.A NE2 VAL 209.A O no hydrogen 2.847 N/A THR 204.A N PHE 233.A O no hydrogen 2.966 N/A THR 204.A OG1 GLU 234.A OE1.A no hydrogen 2.599 N/A ALA 205.A N ALA 236.A O no hydrogen 2.952 N/A THR 208.A N ASP 206.A OD1 no hydrogen 2.767 N/A VAL 209.A N ASP 206.A OD1 no hydrogen 2.793 N/A THR 213.A N PRO 210.A O no hydrogen 3.002 N/A THR 213.A OG1 PRO 210.A O no hydrogen 2.642 N/A ARG 215.A N PHE 211.A O no hydrogen 2.872 N/A ARG 215.A NE GLU 212.A OE1 no hydrogen 2.951 N/A ARG 215.A NH2 GLU 212.A OE2 no hydrogen 2.904 N/A LEU 216.A N GLU 212.A O no hydrogen 2.900 N/A PHE 217.A N THR 213.A O no hydrogen 2.985 N/A ALA 218.A N ILE 214.A O no hydrogen 2.887 N/A GLU 219.A N ARG 215.A O no hydrogen 2.950 N/A ALA 220.A N LEU 216.A O no hydrogen 3.059 N/A MET 221.A N PHE 217.A O no hydrogen 2.832 N/A LYS 222.A N ALA 218.A O no hydrogen 2.878 N/A LYS 222.A NZ CYS 228.A O no hydrogen 2.997 N/A LYS 223.A N GLU 219.A O no hydrogen 2.938 N/A ALA 224.A N ALA 220.A O no hydrogen 3.010 N/A GLY 225.A N LYS 222.A O no hydrogen 2.939 N/A ASN 226.A N MET 221.A O no hydrogen 3.005 N/A ASN 226.A ND2 ARG 192.A O no hydrogen 2.825 N/A ARG 227.A NH1.B GLU 229.A OE2 no hydrogen 3.069 N/A GLU 229.A N MET 198.A O no hydrogen 2.950 N/A VAL 231.A N ILE 200.A O no hydrogen 2.764 N/A PHE 233.A N HIS 202.A O no hydrogen 2.859 N/A GLY 235.A N THR 204.A OG1 no hydrogen 2.730 N/A ALA 236.A N PHE 233.A O no hydrogen 3.077 N/A HIS 238.A ND1 ASP 206.A OD2 no hydrogen 2.737 N/A HIS 238.A NE2 SER 121.A OG no hydrogen 2.858 N/A GLY 239.A N ASN 156.A OD1 no hydrogen 2.950 N/A PHE 240.A N ALA 237.A O no hydrogen 3.094 N/A ASN 242.A N GLY 239.A O no hydrogen 3.211 N/A ASN 242.A ND2 GLY 239.A O no hydrogen 2.991 N/A GLY 244.A N ASN 248.A OD1 no hydrogen 2.588 N/A ARG 245.A N ASN 242.A O no hydrogen 3.391 N/A ARG 245.A NH1.B GLY 239.A O no hydrogen 3.454 N/A ARG 245.A NH2.A HIS 238.A O no hydrogen 2.828 N/A ASN 248.A N ARG 245.A O no hydrogen 2.764 N/A LEU 249.A N GLY 246.A O no hydrogen 3.162 N/A GLN 252.A N ASN 248.A O no hydrogen 2.983 N/A GLN 252.A NE2.A ASN 248.A O no hydrogen 3.549 N/A LYS 253.A N LEU 249.A O no hydrogen 2.954 N/A THR 254.A N ALA 250.A O no hydrogen 2.844 N/A THR 254.A OG1 ALA 250.A O no hydrogen 3.170 N/A THR 254.A OG1 TYR 251.A O no hydrogen 2.981 N/A LEU 255.A N TYR 251.A O no hydrogen 3.227 N/A GLU 256.A N GLN 252.A O no hydrogen 2.982 N/A LEU 257.A N LYS 253.A O no hydrogen 2.914 N/A ALA 258.A N THR 254.A O no hydrogen 2.768 N/A ASP 259.A N LEU 255.A O no hydrogen 2.825 N/A GLU 260.A N GLU 256.A O no hydrogen 3.016 N/A PHE 261.A N LEU 257.A O no hydrogen 2.942 N/A LEU 262.A N ALA 258.A O no hydrogen 2.998 N/A VAL 263.A N ASP 259.A O no hydrogen 2.971 N/A GLU 264.A N GLU 260.A O no hydrogen 2.840 N/A ILE 265.A N PHE 261.A O no hydrogen 2.982 N/A GLY 266.A N VAL 263.A O no hydrogen 2.904 N/A PHE 267.A N LEU 262.A O no hydrogen 2.810 N/A LEU 268.A N LEU 262.A O no hydrogen 3.167 N/A LYS 271.A NZ TYR 64.A OH no hydrogen 3.555 N/A