Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pft_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N HIS 1.A ND1 no hydrogen 3.051 N/A MET 5.A N ASP 3.A OD1 no hydrogen 2.696 N/A VAL 6.A N ASP 3.A OD1 no hydrogen 3.245 N/A SER 7.A N ASP 3.A O no hydrogen 2.907 N/A SER 7.A OG.A ASP 3.A O no hydrogen 3.432 N/A LYS 8.A N PRO 4.A O no hydrogen 2.995 N/A GLY 9.A N MET 5.A O no hydrogen 3.264 N/A GLU 10.A N VAL 6.A O no hydrogen 2.855 N/A GLU 11.A N SER 7.A O no hydrogen 2.844 N/A LEU 12.A N GLY 9.A O no hydrogen 3.144 N/A PHE 13.A N GLU 10.A O no hydrogen 2.935 N/A THR 14.A N.B GLU 11.A O no hydrogen 3.525 N/A THR 14.A OG1.A GLU 11.A O no hydrogen 3.154 N/A THR 14.A OG1.B GLU 11.A O no hydrogen 3.191 N/A VAL 17.A N GLY 40.A O no hydrogen 2.925 N/A ILE 19.A N GLY 38.A O no hydrogen 2.898 N/A LEU 20.A N LEU 121.A O no hydrogen 2.964 N/A VAL 21.A N GLY 36.A O no hydrogen 2.852 N/A GLU 22.A N ASN 123.A O no hydrogen 2.918 N/A LEU 23.A N.A VAL 34.A O no hydrogen 2.885 N/A LEU 23.A N.B VAL 34.A O no hydrogen 2.880 N/A ASP 24.A N.A ILE 125.A O no hydrogen 2.961 N/A ASP 24.A N.B ILE 125.A O no hydrogen 3.038 N/A GLY 25.A N PHE 32.A O no hydrogen 2.815 N/A ASP 26.A N LEU 127.A O no hydrogen 3.046 N/A VAL 27.A N HIS 30.A O no hydrogen 2.962 N/A ASN 28.A N GLY 129.A O no hydrogen 2.839 N/A ASN 28.A ND2 PHE 132.A O no hydrogen 2.831 N/A ASN 28.A ND2 GLU 134.A OE2 no hydrogen 3.114 N/A GLY 29.A N ASP 26.A OD1 no hydrogen 2.874 N/A HIS 30.A N VAL 27.A O no hydrogen 2.785 N/A HIS 30.A NE2 GLU 134.A OE1 no hydrogen 2.828 N/A LYS 31.A NZ ASP 26.A OD2 no hydrogen 2.862 N/A PHE 32.A N GLY 25.A O no hydrogen 2.952 N/A SER 33.A N THR 55.A OG1 no hydrogen 3.084 N/A SER 33.A OG ASP 24.A OD1.B no hydrogen 2.833 N/A VAL 34.A N LEU 23.A O.A no hydrogen 3.025 N/A VAL 34.A N LEU 23.A O.B no hydrogen 2.839 N/A SER 35.A N ILE 52.A O no hydrogen 2.995 N/A GLY 36.A N VAL 21.A O no hydrogen 2.850 N/A GLU 37.A N LYS 50.A O no hydrogen 2.975 N/A GLY 38.A N ILE 19.A O no hydrogen 3.198 N/A GLU 39.A N.A THR 48.A O no hydrogen 2.952 N/A GLU 39.A N.B THR 48.A O no hydrogen 2.984 N/A GLY 40.A N VAL 17.A O no hydrogen 2.918 N/A ASP 41.A N LYS 46.A O no hydrogen 2.831 N/A TYR 44.A N ASP 41.A O no hydrogen 3.077 N/A GLY 45.A N ALA 42.A O no hydrogen 3.053 N/A LYS 46.A N ASP 41.A O no hydrogen 3.104 N/A LEU 47.A N GLU 224.A O no hydrogen 2.830 N/A THR 48.A N GLU 39.A O.A no hydrogen 2.986 N/A THR 48.A N GLU 39.A O.B no hydrogen 3.011 N/A THR 48.A OG1 GLU 39.A O.A no hydrogen 3.512 N/A THR 48.A OG1 GLU 39.A O.B no hydrogen 3.320 N/A LEU 49.A N LEU 222.A O no hydrogen 2.934 N/A LYS 50.A N GLU 37.A O no hydrogen 2.962 N/A LYS 50.A NZ ASP 212.A OD2 no hydrogen 2.778 N/A LYS 50.A NZ GLU 215.A OE1 no hydrogen 2.800 N/A PHE 51.A N MET 220.A O no hydrogen 2.873 N/A ILE 52.A N SER 35.A O no hydrogen 2.785 N/A CYS 53.A N ASP 218.A O no hydrogen 2.887 N/A CYS 53.A SG SER 33.A O no hydrogen 3.556 N/A CYS 53.A SG THR 55.A OG1 no hydrogen 3.432 N/A CYS 53.A SG GLY 56.A O no hydrogen 3.208 N/A THR 54.A N SER 33.A O no hydrogen 2.987 N/A THR 54.A OG1 SER 33.A O no hydrogen 3.491 N/A LEU 58.A N ASP 218.A OD2 no hydrogen 2.827 N/A TRP 62.A NE1 ASP 218.A OD1 no hydrogen 2.878 N/A THR 64.A N PRO 61.A O no hydrogen 2.935 N/A THR 64.A OG1 PRO 61.A O no hydrogen 2.787 N/A THR 64.A OG1 TYR 108.A OH no hydrogen 2.826 N/A LEU 65.A N TRP 62.A O no hydrogen 2.936 N/A VAL 66.A N PRO 63.A O no hydrogen 3.363 N/A THR 67.A OG1 HIS 183.A NE2 no hydrogen 2.695 N/A LEU 69.A N LEU 65.A O no hydrogen 2.906 N/A CYS 72.A SG VAL 70.A O no hydrogen 3.959 N/A PHE 73.A N VAL 70.A O no hydrogen 3.010 N/A SER 74.A N LEU 71.A O no hydrogen 3.108 N/A SER 74.A OG LEU 71.A O no hydrogen 2.795 N/A ARG 75.A N.A VAL 226.A O no hydrogen 2.898 N/A ARG 75.A N.B VAL 226.A O no hydrogen 2.891 N/A ARG 75.A NH2.B THR 43.A O no hydrogen 3.302 N/A TYR 76.A OH HIS 201.A NE2 no hydrogen 2.719 N/A HIS 79.A NE2 GLY 230.A O no hydrogen 2.938 N/A MET 80.A N PRO 77.A O no hydrogen 2.813 N/A LYS 81.A N ASP 78.A O no hydrogen 3.128 N/A LYS 81.A NZ GLU 10.A OE2 no hydrogen 2.656 N/A LYS 81.A NZ TYR 76.A O no hydrogen 2.772 N/A GLN 82.A N GLN 82.A OE1 no hydrogen 2.620 N/A GLN 82.A NE2 HIS 79.A O no hydrogen 3.353 N/A HIS 83.A N MET 80.A O no hydrogen 2.747 N/A ASP 84.A N LYS 81.A O no hydrogen 3.275 N/A PHE 85.A N HIS 83.A O no hydrogen 3.251 N/A LYS 87.A N ASP 84.A OD1 no hydrogen 3.121 N/A LYS 87.A NZ CYS 72.A O no hydrogen 3.054 N/A LYS 87.A NZ SER 74.A O no hydrogen 2.954 N/A LYS 87.A NZ ASP 84.A OD2 no hydrogen 2.775 N/A SER 88.A N ASP 84.A O no hydrogen 3.290 N/A SER 88.A OG ASP 84.A O no hydrogen 3.563 N/A SER 88.A OG PHE 85.A O no hydrogen 2.848 N/A ALA 89.A N PHE 85.A O no hydrogen 3.191 N/A MET 90.A N LYS 87.A O no hydrogen 3.023 N/A GLU 92.A N GLU 92.A OE1 no hydrogen 2.807 N/A GLY 93.A N ALA 89.A O no hydrogen 2.846 N/A TYR 94.A N VAL 114.A O no hydrogen 2.971 N/A VAL 95.A N THR 188.A O no hydrogen 2.841 N/A GLN 96.A N ALA 112.A O no hydrogen 2.877 N/A GLU 97.A N GLN 186.A O no hydrogen 2.940 N/A ARG 98.A N THR 110.A O no hydrogen 2.984 N/A ARG 98.A NE GLN 185.A OE1 no hydrogen 2.856 N/A ARG 98.A NH1 THR 67.A O no hydrogen 2.786 N/A ARG 98.A NH2 THR 67.A O no hydrogen 3.535 N/A ARG 98.A NH2 GLN 185.A OE1 no hydrogen 2.982 N/A THR 99.A N TYR 184.A O no hydrogen 2.936 N/A ILE 100.A N TYR 108.A O no hydrogen 2.756 N/A PHE 101.A N ASP 182.A O no hydrogen 2.848 N/A PHE 102.A N GLY 106.A O no hydrogen 2.930 N/A LYS 103.A N LEU 180.A O no hydrogen 3.053 N/A ASP 105.A N PHE 102.A O no hydrogen 2.924 N/A GLY 106.A N ASP 105.A OD1 no hydrogen 2.847 N/A ASN 107.A N ILE 130.A O no hydrogen 3.044 N/A TYR 108.A N ILE 100.A O no hydrogen 2.869 N/A TYR 108.A OH THR 64.A OG1 no hydrogen 2.826 N/A LYS 109.A N LYS 128.A O no hydrogen 2.775 N/A THR 110.A N ARG 98.A O no hydrogen 2.894 N/A ARG 111.A N GLU 126.A O no hydrogen 2.991 N/A ARG 111.A NH1 GLU 113.A OE2 no hydrogen 3.342 N/A ARG 111.A NH2 GLU 113.A OE2 no hydrogen 3.310 N/A ALA 112.A N GLN 96.A O no hydrogen 2.857 N/A GLU 113.A N ARG 124.A O no hydrogen 2.972 N/A VAL 114.A N TYR 94.A O no hydrogen 2.880 N/A LYS 115.A N VAL 122.A O no hydrogen 3.030 N/A LYS 115.A NZ GLU 113.A OE1 no hydrogen 2.827 N/A PHE 116.A N PRO 91.A O no hydrogen 3.221 N/A GLU 117.A N THR 120.A O no hydrogen 2.881 N/A THR 120.A N GLU 117.A O no hydrogen 3.127 N/A LEU 121.A N PRO 18.A O no hydrogen 2.900 N/A VAL 122.A N LYS 115.A O no hydrogen 2.850 N/A ASN 123.A N LEU 20.A O no hydrogen 2.909 N/A ASN 123.A ND2 THR 68.A O no hydrogen 3.499 N/A ASN 123.A ND2 LEU 69.A O no hydrogen 2.995 N/A ARG 124.A N GLU 113.A O no hydrogen 2.975 N/A ARG 124.A NH1 GLU 22.A OE1 no hydrogen 2.834 N/A ILE 125.A N GLU 22.A O no hydrogen 2.751 N/A GLU 126.A N ARG 111.A O no hydrogen 2.891 N/A LEU 127.A N ASP 24.A O.A no hydrogen 2.904 N/A LEU 127.A N ASP 24.A O.B no hydrogen 2.899 N/A LYS 128.A N LYS 109.A O no hydrogen 2.902 N/A GLY 129.A N ASP 26.A O no hydrogen 2.714 N/A ILE 130.A N ASN 107.A O no hydrogen 3.093 N/A PHE 132.A N ASN 28.A OD1 no hydrogen 3.010 N/A LYS 133.A N ASP 105.A OD1 no hydrogen 2.779 N/A LYS 133.A NZ ASP 104.A O no hydrogen 2.846 N/A GLY 136.A N LYS 133.A O no hydrogen 2.922 N/A ASN 137.A ND2 GLN 179.A OE1 no hydrogen 2.873 N/A GLY 140.A N GLY 136.A O no hydrogen 2.810 N/A HIS 141.A N ILE 138.A O no hydrogen 3.006 N/A LYS 142.A N ASN 137.A O no hydrogen 3.072 N/A LYS 142.A NZ ASP 135.A O no hydrogen 3.289 N/A GLU 144.A N ASN 172.A O no hydrogen 2.829 N/A TYR 145.A OH SER 210.A O no hydrogen 2.719 N/A ASN 146.A ND2 GLU 144.A OE1 no hydrogen 2.796 N/A TYR 147.A OH HIS 150.A NE2 no hydrogen 2.665 N/A ASN 148.A ND2 ASN 172.A OD1 no hydrogen 3.047 N/A HIS 150.A N THR 205.A O no hydrogen 3.219 N/A HIS 150.A NE2 TYR 147.A OH no hydrogen 2.665 N/A VAL 152.A N LEU 203.A O no hydrogen 2.858 N/A ILE 154.A N HIS 201.A O no hydrogen 2.722 N/A MET 155.A N LYS 164.A O no hydrogen 2.960 N/A ASP 157.A N GLY 162.A O no hydrogen 2.896 N/A ASN 161.A N LYS 158.A O no hydrogen 3.113 N/A GLY 162.A N ASP 157.A O no hydrogen 3.057 N/A ILE 163.A N ASN 187.A O no hydrogen 3.056 N/A LYS 164.A N MET 155.A O no hydrogen 2.819 N/A LYS 164.A NZ ALA 156.A O no hydrogen 3.294 N/A SER 165.A N GLN 185.A O no hydrogen 3.022 N/A SER 165.A OG TYR 153.A O no hydrogen 2.877 N/A PHE 167.A N HIS 183.A O no hydrogen 2.942 N/A ILE 169.A N ALA 181.A O no hydrogen 3.050 N/A HIS 171.A N GLN 179.A O no hydrogen 2.887 N/A ASN 172.A ND2 ASN 148.A OD1 no hydrogen 3.293 N/A ILE 173.A N SER 177.A O no hydrogen 2.949 N/A GLU 174.A N LYS 142.A O no hydrogen 2.968 N/A GLY 176.A N ILE 173.A O no hydrogen 2.645 N/A SER 177.A N ASP 175.A OD1 no hydrogen 2.983 N/A VAL 178.A N SER 177.A OG no hydrogen 2.826 N/A GLN 179.A N HIS 171.A O no hydrogen 2.845 N/A GLN 179.A NE2 LYS 103.A O no hydrogen 2.929 N/A GLN 179.A NE2 LEU 180.A O no hydrogen 3.082 N/A ALA 181.A N ILE 169.A O no hydrogen 2.849 N/A ASP 182.A N PHE 101.A O no hydrogen 2.836 N/A HIS 183.A N PHE 167.A O no hydrogen 2.827 N/A HIS 183.A ND1 ALA 181.A O no hydrogen 3.020 N/A HIS 183.A NE2 THR 67.A OG1 no hydrogen 2.695 N/A TYR 184.A N THR 99.A O no hydrogen 2.841 N/A GLN 185.A N SER 165.A O no hydrogen 2.747 N/A GLN 185.A NE2 ASN 187.A OD1 no hydrogen 2.829 N/A GLN 186.A N GLU 97.A O no hydrogen 2.902 N/A GLN 186.A NE2 GLU 97.A OE1 no hydrogen 2.974 N/A ASN 187.A N ILE 163.A O no hydrogen 2.916 N/A ASN 187.A ND2 GLN 96.A OE1 no hydrogen 2.910 N/A THR 188.A N VAL 95.A O no hydrogen 3.058 N/A ILE 190.A N.A GLY 93.A O no hydrogen 2.960 N/A ILE 190.A N.B GLY 93.A O no hydrogen 2.872 N/A LEU 196.A N SER 88.A OG no hydrogen 2.959 N/A ASP 199.A N HIS 83.A ND1 no hydrogen 2.884 N/A ASN 200.A ND2 TYR 153.A OH no hydrogen 2.966 N/A HIS 201.A N ILE 154.A O no hydrogen 3.096 N/A HIS 201.A ND1 ASP 199.A O no hydrogen 2.914 N/A HIS 201.A NE2 TYR 76.A OH no hydrogen 2.719 N/A TYR 202.A N ALA 229.A O no hydrogen 2.966 N/A LEU 203.A N VAL 152.A O no hydrogen 2.833 N/A SER 204.A N THR 227.A O no hydrogen 2.796 N/A SER 204.A OG.A ASN 151.A OD1 no hydrogen 3.433 N/A SER 204.A OG.B ASN 151.A OD1 no hydrogen 2.591 N/A THR 205.A N HIS 150.A O no hydrogen 2.962 N/A THR 205.A OG1 PHE 225.A O no hydrogen 2.974 N/A GLN 206.A N PHE 225.A O no hydrogen 3.057 N/A LYS 208.A N LEU 223.A O no hydrogen 2.859 N/A SER 210.A N VAL 221.A O no hydrogen 2.902 N/A LYS 211.A NZ HIS 219.A O no hydrogen 2.754 N/A ASP 212.A N HIS 219.A NE2 no hydrogen 2.867 N/A ASN 214.A N ASP 212.A OD1 no hydrogen 2.912 N/A GLU 215.A N ASP 212.A O no hydrogen 3.122 N/A ARG 217.A N GLU 215.A OE2 no hydrogen 2.884 N/A ARG 217.A NE GLU 215.A OE2 no hydrogen 2.877 N/A ARG 217.A NH1 GLU 215.A OE1 no hydrogen 2.887 N/A ARG 217.A NH1 GLU 215.A OE2 no hydrogen 3.545 N/A HIS 219.A ND1 ARG 217.A O no hydrogen 2.841 N/A MET 220.A N PHE 51.A O no hydrogen 2.918 N/A VAL 221.A N SER 210.A O no hydrogen 2.993 N/A LEU 222.A N LEU 49.A O no hydrogen 2.753 N/A LEU 223.A N LYS 208.A O no hydrogen 2.996 N/A GLU 224.A N LEU 47.A O no hydrogen 3.054 N/A PHE 225.A N GLN 206.A O no hydrogen 2.955 N/A VAL 226.A N GLY 45.A O no hydrogen 2.953 N/A THR 227.A N SER 204.A O no hydrogen 2.894 N/A THR 227.A OG1.B SER 204.A O no hydrogen 3.520 N/A ALA 228.A N ARG 75.A O.A no hydrogen 2.776 N/A ALA 228.A N ARG 75.A O.B no hydrogen 2.779 N/A ALA 229.A N TYR 202.A O no hydrogen 2.895 N/A THR 232.A OG1 ASP 236.A OD2 no hydrogen 3.195 N/A ASP 236.A N THR 232.A O no hydrogen 2.826 N/A GLU 237.A N LEU 233.A O no hydrogen 3.279 N/A LEU 238.A N MET 235.A O.A no hydrogen 3.037 N/A LEU 238.A N MET 235.A O.B no hydrogen 3.043 N/A TYR 239.A N ASP 236.A O no hydrogen 3.144 N/A LYS 240.A N GLU 237.A O no hydrogen 3.297 N/A