==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-OCT-06 2NPU . COMPND 2 MOLECULE: FKBP12-RAPAMYCIN COMPLEX-ASSOCIATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.VEVERKA,T.CRABBE,I.BIRD,G.LENNIE,F.W.MUSKETT,R.J.TAYLOR, . 101 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7262.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 83.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2014 A M 0 0 208 0, 0.0 100,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 75.0 1.0 -17.0 -12.1 2 2015 A E - 0 0 105 2,-0.2 3,-0.1 0, 0.0 99,-0.1 0.598 360.0-147.2-112.4 -23.3 -1.8 -18.8 -10.4 3 2016 A L + 0 0 117 1,-0.3 2,-0.4 0, 0.0 98,-0.1 0.672 57.4 132.4 60.9 16.0 -4.7 -16.6 -11.5 4 2017 A I - 0 0 115 2,-0.0 2,-0.4 97,-0.0 -1,-0.3 -0.792 38.4-168.9-101.7 143.1 -6.2 -17.5 -8.2 5 2018 A R - 0 0 165 -2,-0.4 94,-0.0 -3,-0.1 96,-0.0 -0.998 8.7-150.2-135.0 136.0 -7.6 -14.9 -5.8 6 2019 A V - 0 0 55 -2,-0.4 3,-0.3 1,-0.1 -2,-0.0 -0.843 5.6-153.7-107.0 142.1 -8.6 -15.3 -2.2 7 2020 A P S S+ 0 0 102 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 0.965 91.2 40.9 -75.0 -57.3 -11.4 -13.2 -0.5 8 2021 A I S S+ 0 0 131 4,-0.1 2,-0.2 3,-0.1 3,-0.1 -0.770 98.0 90.8 -97.2 90.9 -10.2 -13.3 3.1 9 2022 A L S > S- 0 0 64 -2,-1.1 4,-0.5 -3,-0.3 -4,-0.0 -0.743 92.3 -69.8-154.1-160.1 -6.5 -12.8 2.8 10 2023 A W H >> S+ 0 0 29 -2,-0.2 3,-3.0 1,-0.2 4,-1.6 0.956 126.4 58.7 -71.6 -52.9 -3.8 -10.2 2.7 11 2024 A H H 3> S+ 0 0 24 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.742 99.6 63.5 -47.7 -23.6 -4.8 -8.8 -0.7 12 2025 A E H 3> S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.829 101.7 47.4 -70.9 -33.4 -8.1 -8.3 1.1 13 2026 A M H S+ 0 0 26 -4,-3.5 5,-0.5 -5,-0.4 4,-0.4 0.948 116.5 33.6 -53.0 -56.5 -8.3 10.6 1.3 26 2039 A F H <5S+ 0 0 143 -4,-3.7 3,-0.4 3,-0.2 -1,-0.2 0.789 108.4 73.9 -70.6 -29.1 -10.6 11.8 -1.4 27 2040 A G H <5S- 0 0 56 -4,-1.6 -2,-0.2 -5,-0.5 -1,-0.2 0.954 128.2 -10.1 -46.7 -68.9 -13.4 12.3 1.1 28 2041 A E T <5S- 0 0 140 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 -0.293 96.7-101.4-130.4 46.8 -11.9 15.4 2.7 29 2042 A R T 5S+ 0 0 176 -3,-0.4 2,-0.9 -4,-0.4 -3,-0.2 0.795 75.8 149.7 36.0 37.7 -8.5 15.5 1.1 30 2043 A N >>< + 0 0 49 -6,-0.9 4,-0.6 -5,-0.5 3,-0.6 -0.834 24.0 172.5-103.9 96.0 -7.3 14.1 4.4 31 2044 A V H 3> + 0 0 12 -2,-0.9 4,-2.5 1,-0.2 5,-0.2 0.646 67.4 85.4 -74.4 -15.4 -4.3 11.9 3.8 32 2045 A K H 3> S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.923 88.2 49.8 -49.7 -51.1 -4.0 11.6 7.5 33 2046 A G H <> S+ 0 0 15 -3,-0.6 4,-1.2 1,-0.2 -1,-0.2 0.917 107.9 53.4 -54.3 -48.8 -6.4 8.7 7.4 34 2047 A M H >X S+ 0 0 0 -4,-0.6 4,-2.7 -13,-0.4 3,-0.7 0.915 109.2 48.4 -52.8 -48.9 -4.5 7.0 4.7 35 2048 A F H 3X S+ 0 0 25 -4,-2.5 4,-2.9 1,-0.3 -1,-0.2 0.872 112.9 47.8 -60.0 -39.5 -1.3 7.2 6.7 36 2049 A E H 3< S+ 0 0 128 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.629 111.3 53.8 -75.9 -14.5 -3.1 5.8 9.7 37 2050 A V H S+ 0 0 3 -4,-2.7 4,-4.4 2,-0.2 5,-0.8 0.908 107.1 70.1 -76.2 -45.3 -1.2 2.0 6.1 39 2052 A E H X5S+ 0 0 135 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.868 115.3 26.4 -35.5 -56.7 0.7 2.6 9.3 40 2053 A P H >5S+ 0 0 67 0, 0.0 4,-4.8 0, 0.0 5,-0.3 0.944 123.7 51.2 -75.0 -51.9 -1.2 -0.3 10.9 41 2054 A L H X5S+ 0 0 26 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.942 118.1 39.1 -49.0 -57.0 -1.9 -2.3 7.7 42 2055 A H H >X5S+ 0 0 28 -4,-4.4 4,-1.6 2,-0.2 3,-0.6 0.950 117.0 50.4 -58.8 -52.4 1.8 -2.1 6.8 43 2056 A A H >XXS+ 0 0 23 -4,-2.0 4,-2.9 -5,-0.8 3,-0.8 0.924 106.5 55.7 -51.1 -50.3 2.9 -2.6 10.4 44 2057 A M H 3X5S+ 0 0 53 -4,-4.8 4,-1.3 1,-0.3 -1,-0.3 0.849 107.3 50.1 -51.1 -38.6 0.6 -5.6 10.6 45 2058 A M H <<5S+ 0 0 6 -4,-1.6 -1,-0.3 -3,-0.6 -2,-0.2 0.795 115.6 43.7 -70.7 -29.9 2.5 -7.0 7.6 46 2059 A E H <<5S+ 0 0 145 -4,-1.6 -2,-0.2 -3,-0.8 -3,-0.2 0.975 127.9 25.5 -77.7 -63.5 5.8 -6.3 9.3 47 2060 A R H <5S+ 0 0 214 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.714 126.1 56.8 -73.1 -21.6 5.1 -7.5 12.8 48 2061 A G S <> - 0 0 70 1,-0.0 4,-2.0 0, 0.0 3,-0.8 -0.960 53.6 -84.4-164.4 174.1 4.9 -17.6 5.4 52 2065 A L H 3> S+ 0 0 132 -2,-0.3 4,-0.9 1,-0.3 -1,-0.0 0.814 127.7 58.0 -57.9 -31.0 7.8 -18.1 3.1 53 2066 A K H 34 S+ 0 0 126 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.836 111.7 39.9 -67.6 -33.6 5.2 -18.1 0.3 54 2067 A E H X> S+ 0 0 6 -3,-0.8 4,-2.3 1,-0.2 3,-0.5 0.673 98.2 78.7 -86.9 -20.6 4.1 -14.6 1.5 55 2068 A T H 3X S+ 0 0 48 -4,-2.0 4,-1.7 1,-0.3 -2,-0.2 0.859 91.7 53.1 -54.4 -38.5 7.7 -13.6 2.1 56 2069 A S H 3X S+ 0 0 78 -4,-0.9 4,-3.4 2,-0.2 -1,-0.3 0.835 107.5 52.8 -66.1 -33.9 8.0 -13.1 -1.7 57 2070 A F H <> S+ 0 0 32 -3,-0.5 4,-1.9 -4,-0.3 5,-0.3 0.959 110.9 43.0 -65.7 -54.1 5.0 -10.9 -1.5 58 2071 A N H X S+ 0 0 52 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.803 120.0 46.7 -61.8 -29.5 6.3 -8.6 1.2 59 2072 A Q H X S+ 0 0 136 -4,-1.7 4,-1.1 -5,-0.3 5,-0.2 0.886 103.3 60.4 -78.6 -42.5 9.6 -8.7 -0.7 60 2073 A A H < S+ 0 0 59 -4,-3.4 4,-0.4 1,-0.2 -2,-0.2 0.897 126.1 20.2 -50.7 -45.1 8.1 -8.0 -4.1 61 2074 A Y H X>S+ 0 0 15 -4,-1.9 4,-3.4 2,-0.2 5,-0.7 0.592 99.8 97.6 -99.0 -16.7 6.8 -4.7 -2.7 62 2075 A G H X5S+ 0 0 25 -4,-1.0 4,-1.1 -5,-0.3 -2,-0.2 0.832 96.5 35.4 -38.1 -44.2 9.2 -4.6 0.2 63 2076 A R H X5S+ 0 0 173 -4,-1.1 4,-2.2 2,-0.2 -1,-0.3 0.868 118.2 52.1 -79.6 -40.2 11.3 -2.3 -2.0 64 2077 A D H >>5S+ 0 0 62 -4,-0.4 4,-2.5 -5,-0.2 3,-0.5 0.978 112.5 43.3 -58.9 -60.3 8.3 -0.6 -3.6 65 2078 A L H 3X5S+ 0 0 20 -4,-3.4 4,-3.9 1,-0.3 5,-0.2 0.877 110.5 59.4 -52.7 -40.7 6.6 0.2 -0.3 66 2079 A M H 3XS+ 0 0 87 -4,-2.8 4,-3.5 -5,-0.2 5,-0.6 0.871 113.9 44.8 -65.5 -38.1 9.7 13.0 3.0 75 2088 A Y H <5S+ 0 0 45 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.922 112.1 50.1 -71.1 -46.9 6.3 14.5 2.3 76 2089 A M H <5S+ 0 0 104 -4,-3.8 -2,-0.2 1,-0.2 -1,-0.2 0.845 124.0 32.4 -59.9 -35.8 5.1 14.4 5.9 77 2090 A K H <5S+ 0 0 173 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.930 134.8 27.1 -85.0 -55.9 8.4 16.1 6.8 78 2091 A S T <5S- 0 0 85 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.1 0.996 97.6-138.3 -69.3 -68.4 9.0 18.2 3.7 79 2092 A G < + 0 0 43 -5,-0.6 2,-0.3 1,-0.2 -3,-0.1 0.726 40.0 145.4 103.2 91.8 5.4 18.7 2.6 80 2093 A N > - 0 0 89 1,-0.1 4,-2.1 -5,-0.0 3,-0.4 -0.870 41.7-150.2-159.8 120.9 4.7 18.4 -1.2 81 2094 A V H > S+ 0 0 86 -2,-0.3 4,-4.3 1,-0.2 5,-0.3 0.887 101.5 62.9 -56.6 -41.0 1.6 17.0 -2.9 82 2095 A K H > S+ 0 0 133 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.910 107.3 42.3 -49.5 -48.4 3.9 16.0 -5.8 83 2096 A D H > S+ 0 0 2 -3,-0.4 4,-2.2 2,-0.2 -1,-0.3 0.868 114.5 52.0 -66.7 -37.8 5.7 13.7 -3.4 84 2097 A L H X S+ 0 0 5 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.913 109.5 49.1 -64.1 -44.3 2.4 12.6 -2.0 85 2098 A T H X S+ 0 0 73 -4,-4.3 4,-1.9 1,-0.2 -2,-0.2 0.904 110.0 51.3 -61.1 -43.8 1.1 11.9 -5.5 86 2099 A Q H X S+ 0 0 59 -4,-2.3 4,-3.1 -5,-0.3 -1,-0.2 0.897 109.2 50.4 -60.2 -42.7 4.2 9.9 -6.3 87 2100 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.877 110.8 49.0 -62.8 -38.9 3.8 7.9 -3.1 88 2101 A W H X S+ 0 0 21 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.810 111.1 52.2 -69.3 -30.5 0.2 7.2 -4.1 89 2102 A D H X S+ 0 0 78 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.947 108.9 47.5 -69.3 -50.8 1.5 6.2 -7.5 90 2103 A L H X S+ 0 0 28 -4,-3.1 4,-1.9 1,-0.2 3,-0.2 0.935 113.8 48.8 -55.0 -50.4 4.0 3.7 -6.1 91 2104 A Y H X S+ 0 0 6 -4,-2.4 4,-4.4 1,-0.2 5,-0.4 0.946 107.3 53.7 -54.4 -54.9 1.3 2.3 -3.8 92 2105 A Y H X S+ 0 0 127 -4,-2.4 4,-2.6 1,-0.3 -1,-0.2 0.839 106.8 54.7 -49.0 -38.0 -1.2 1.9 -6.6 93 2106 A H H X S+ 0 0 97 -4,-2.0 4,-1.8 -3,-0.2 -1,-0.3 0.935 116.1 35.9 -62.3 -48.6 1.5 0.0 -8.5 94 2107 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 -3,-0.3 -2,-0.2 0.941 121.3 46.4 -69.5 -49.6 1.9 -2.4 -5.7 95 2108 A F H X S+ 0 0 10 -4,-4.4 4,-0.8 1,-0.2 -2,-0.2 0.799 113.3 51.7 -62.1 -30.1 -1.8 -2.4 -4.8 96 2109 A R H X S+ 0 0 113 -4,-2.6 4,-4.4 -5,-0.4 -1,-0.2 0.854 107.8 51.6 -74.5 -37.2 -2.5 -2.8 -8.5 97 2110 A R H < S+ 0 0 155 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.948 102.7 57.0 -63.9 -51.4 -0.2 -5.8 -8.8 98 2111 A I H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.823 119.2 35.2 -48.7 -33.7 -1.8 -7.6 -5.9 99 2112 A S H < S+ 0 0 37 -4,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.907 98.8 89.7 -86.0 -50.4 -5.0 -7.3 -7.9 100 2113 A K < 0 0 140 -4,-4.4 -4,-0.0 1,-0.1 0, 0.0 -0.246 360.0 360.0 -51.3 128.8 -3.6 -7.6 -11.4 101 2114 A Q 0 0 98 -98,-0.1 -1,-0.1 -99,-0.1 -2,-0.1 -0.681 360.0 360.0-170.9 360.0 -3.6 -11.3 -12.3