==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAR-06 2GAQ . COMPND 2 MOLECULE: FKBP12-RAPAMYCIN COMPLEX-ASSOCIATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.LEONE,M.PELLECCHIA . 100 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 67.0 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 . 3 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.0 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 2 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 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 1 A E 0 0 218 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.8 13.2 -14.2 -9.8 2 2 A L + 0 0 114 1,-0.1 6,-0.0 4,-0.1 0, 0.0 0.945 360.0 178.2 45.0 67.1 11.7 -12.6 -13.0 3 3 A I S S- 0 0 91 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.833 79.1 -21.8 -64.9 -33.6 9.7 -15.6 -14.0 4 4 A R S S- 0 0 207 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.358 142.0 -11.9-136.3 -70.8 8.2 -13.7 -17.0 5 5 A V S S- 0 0 113 0, 0.0 -3,-0.1 0, 0.0 0, 0.0 0.308 84.5-117.0-121.8 -2.5 8.4 -9.9 -16.6 6 6 A A + 0 0 38 -5,-0.0 -4,-0.1 5,-0.0 5,-0.0 0.727 68.3 144.6 60.2 31.1 9.3 -9.8 -12.8 7 7 A I + 0 0 98 4,-0.1 5,-0.2 3,-0.0 4,-0.2 0.946 12.2 145.7 -59.3 -90.0 5.9 -8.0 -12.3 8 8 A L > - 0 0 29 3,-0.1 4,-1.2 2,-0.1 5,-0.1 0.487 58.2-113.5 56.6 147.8 4.5 -9.2 -9.0 9 9 A W H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.965 114.4 60.1 -75.7 -47.3 2.4 -6.9 -6.7 10 10 A H H > S+ 0 0 47 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.801 103.5 56.1 -40.8 -41.3 5.1 -6.8 -3.9 11 11 A E H > S+ 0 0 93 1,-0.2 4,-1.2 -4,-0.2 5,-0.3 0.989 112.1 37.7 -61.8 -53.7 7.4 -5.3 -6.5 12 12 A M H X S+ 0 0 43 -4,-1.2 4,-2.2 -5,-0.2 -1,-0.2 0.638 115.3 58.8 -68.3 -24.8 5.0 -2.4 -7.3 13 13 A W H X S+ 0 0 0 -4,-2.0 4,-3.1 3,-0.2 5,-0.5 0.933 96.3 60.0 -73.3 -39.9 4.1 -2.3 -3.5 14 14 A H H X S+ 0 0 52 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.912 124.9 20.0 -50.6 -51.4 7.8 -1.7 -2.5 15 15 A E H X S+ 0 0 141 -4,-1.2 4,-3.5 2,-0.2 5,-0.4 0.855 119.1 62.3 -90.2 -36.1 7.8 1.6 -4.5 16 16 A G H < S+ 0 0 7 -4,-2.2 4,-0.2 -5,-0.3 -3,-0.2 0.812 114.3 39.5 -60.4 -29.9 4.0 2.1 -4.7 17 17 A L H X S+ 0 0 0 -4,-3.1 4,-3.3 3,-0.2 5,-0.3 0.873 117.9 48.2 -82.1 -36.6 4.2 2.4 -1.0 18 18 A E H X S+ 0 0 72 -4,-1.6 4,-3.4 -5,-0.5 5,-0.3 0.985 112.1 46.8 -68.9 -50.8 7.5 4.3 -1.1 19 19 A E H X S+ 0 0 96 -4,-3.5 4,-0.6 2,-0.2 -1,-0.2 0.726 124.6 37.2 -62.3 -18.9 6.3 6.9 -3.7 20 20 A A H > S+ 0 0 0 -5,-0.4 4,-1.3 -4,-0.2 3,-0.3 0.915 116.3 46.4 -94.7 -61.7 3.2 7.2 -1.6 21 21 A S H X S+ 0 0 10 -4,-3.3 4,-2.8 1,-0.2 3,-0.2 0.802 116.3 50.8 -53.0 -31.1 4.4 6.9 2.0 22 22 A R H X S+ 0 0 130 -4,-3.4 4,-1.8 -5,-0.3 5,-0.3 0.903 99.9 60.0 -72.8 -44.7 7.1 9.5 0.9 23 23 A L H < S+ 0 0 28 -4,-0.6 6,-2.0 -5,-0.3 9,-0.2 0.729 122.5 28.5 -54.7 -20.8 4.6 12.0 -0.6 24 24 A Y H X S+ 0 0 47 -4,-1.3 4,-0.5 -3,-0.2 -2,-0.3 0.761 108.2 73.4-104.3 -34.7 3.3 12.0 3.0 25 25 A F H < S- 0 0 137 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.836 133.1 -22.3 -46.6 -52.1 6.6 11.2 4.9 26 26 A G T < S+ 0 0 60 -4,-1.8 -1,-0.2 3,-0.0 -3,-0.1 -0.049 122.7 83.8-157.7 36.1 8.0 14.7 4.2 27 27 A E T 4 S- 0 0 97 -5,-0.3 -3,-0.1 -4,-0.1 -2,-0.1 0.436 75.9-142.4-113.6 -9.7 6.2 16.1 1.2 28 28 A R S < S+ 0 0 252 -4,-0.5 -4,-0.2 1,-0.1 3,-0.1 0.720 74.1 109.5 47.8 30.7 3.0 17.5 3.0 29 29 A N >> + 0 0 71 -6,-2.0 3,-1.5 1,-0.1 4,-1.3 -0.535 28.3 156.1-135.2 57.9 1.2 16.3 -0.1 30 30 A V H 3> S+ 0 0 33 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.879 74.3 69.3 -53.2 -28.8 -0.8 13.2 1.1 31 31 A K H 34 S+ 0 0 155 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.852 97.6 50.8 -58.4 -34.7 -3.0 14.1 -1.9 32 32 A G H X> S+ 0 0 14 -3,-1.5 3,-2.1 -9,-0.2 4,-1.3 0.940 105.8 52.5 -69.7 -47.2 -0.1 12.9 -4.1 33 33 A M H 3X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.3 5,-0.3 0.862 102.3 62.9 -58.4 -30.3 0.4 9.6 -2.3 34 34 A F H 3X S+ 0 0 31 -4,-2.1 4,-0.5 1,-0.2 -1,-0.3 0.684 101.5 51.1 -65.9 -17.6 -3.3 9.1 -2.9 35 35 A E H <4 S+ 0 0 138 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.823 113.2 41.1 -92.9 -37.4 -2.6 9.1 -6.7 36 36 A V H X S+ 0 0 41 -4,-1.3 4,-0.6 2,-0.2 -2,-0.2 0.814 122.1 42.8 -79.0 -32.2 0.2 6.5 -6.7 37 37 A L H X S+ 0 0 5 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.711 95.7 81.5 -83.4 -21.8 -1.8 4.4 -4.1 38 38 A E H >X S+ 0 0 114 -4,-0.5 4,-1.2 -5,-0.3 3,-1.2 0.941 100.1 37.4 -47.7 -52.2 -5.0 5.0 -6.1 39 39 A P H 3> S+ 0 0 50 0, 0.0 4,-3.5 0, 0.0 -1,-0.2 0.860 109.3 64.7 -72.0 -25.2 -4.1 2.2 -8.6 40 40 A L H 3< S+ 0 0 7 -4,-0.6 -2,-0.2 1,-0.2 -3,-0.1 0.625 101.2 51.4 -69.7 -18.8 -2.6 0.1 -5.6 41 41 A H H XX S+ 0 0 64 -3,-1.2 4,-1.2 -4,-1.1 3,-0.7 0.871 116.7 38.0 -75.5 -44.2 -6.2 -0.0 -4.2 42 42 A A H >X S+ 0 0 45 -4,-1.2 4,-2.9 1,-0.3 3,-0.6 0.964 115.1 52.4 -78.8 -40.6 -7.7 -1.3 -7.5 43 43 A M H 3< S+ 0 0 85 -4,-3.5 -1,-0.3 1,-0.3 -3,-0.2 0.364 116.0 44.1 -74.0 0.1 -4.7 -3.6 -8.3 44 44 A M H <4 S+ 0 0 7 -3,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.534 115.3 45.4-114.1 -21.3 -5.2 -5.0 -4.8 45 45 A E H << S+ 0 0 154 -4,-1.2 -2,-0.2 -3,-0.6 -3,-0.2 0.824 93.5 74.6 -93.4 -33.4 -9.0 -5.3 -4.9 46 46 A R S < S- 0 0 214 -4,-2.9 -1,-0.1 1,-0.2 -3,-0.1 0.792 108.0-115.0 -51.1 -29.9 -9.3 -6.9 -8.4 47 47 A G - 0 0 27 -5,-0.2 -1,-0.2 0, 0.0 -2,-0.1 -0.300 34.3 -55.4 111.4 158.0 -8.1 -10.1 -6.8 48 48 A P - 0 0 78 0, 0.0 6,-0.1 0, 0.0 -4,-0.0 -0.421 43.1-169.9 -66.5 146.7 -5.0 -12.4 -6.9 49 49 A Q S S+ 0 0 159 -2,-0.1 0, 0.0 4,-0.0 0, 0.0 0.787 70.1 3.8 -97.3 -87.7 -4.0 -13.8 -10.3 50 50 A T S S- 0 0 78 1,-0.0 0, 0.0 0, 0.0 0, 0.0 0.924 100.1 -91.6 -64.3-101.3 -1.3 -16.5 -10.2 51 51 A L S S+ 0 0 150 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.040 105.6 79.3-176.9 36.8 -0.3 -17.3 -6.5 52 52 A K S S+ 0 0 94 1,-0.1 2,-1.9 3,-0.0 3,-0.1 0.635 77.8 65.7-119.6 -40.5 2.6 -14.9 -5.9 53 53 A E S S+ 0 0 19 1,-0.2 4,-0.1 -44,-0.1 -1,-0.1 -0.341 81.7 87.9 -84.4 54.9 0.9 -11.5 -5.2 54 54 A T + 0 0 49 -2,-1.9 -1,-0.2 -3,-0.1 4,-0.1 -0.184 47.4 100.9-150.2 47.3 -0.8 -12.8 -2.0 55 55 A S S S+ 0 0 67 -3,-0.1 -2,-0.1 3,-0.1 -1,-0.0 0.024 86.3 45.0-118.3 22.8 1.7 -12.2 0.8 56 56 A F S > S+ 0 0 3 3,-0.2 4,-2.5 -3,-0.0 7,-0.3 0.581 109.9 45.8-134.4 -45.6 -0.0 -9.1 2.1 57 57 A N T 4 S+ 0 0 61 1,-0.2 4,-0.3 2,-0.2 -2,-0.1 0.810 125.4 36.5 -75.9 -27.7 -3.8 -9.8 2.3 58 58 A Q T 4 S+ 0 0 165 2,-0.1 -1,-0.2 -4,-0.1 -3,-0.1 0.400 129.2 34.8-101.2 -6.5 -3.0 -13.2 3.9 59 59 A A T 4 S+ 0 0 53 -3,-0.0 -2,-0.2 38,-0.0 -3,-0.2 0.720 137.0 11.3-112.9 -39.9 -0.0 -11.8 6.0 60 60 A Y >< + 0 0 73 -4,-2.5 3,-2.0 1,-0.1 5,-0.4 -0.553 60.7 164.3-143.0 67.0 -1.1 -8.2 6.9 61 61 A G T 3 S+ 0 0 29 -4,-0.3 5,-0.4 1,-0.3 -4,-0.1 0.754 85.8 53.3 -54.8 -23.2 -4.8 -7.7 6.1 62 62 A R T 3 S+ 0 0 200 3,-0.2 5,-0.3 4,-0.1 -1,-0.3 0.554 94.9 84.1 -87.4 -15.5 -4.5 -4.6 8.3 63 63 A D S X> S- 0 0 5 -3,-2.0 4,-3.1 -7,-0.3 3,-0.8 0.460 116.3 -31.5 -59.3-145.7 -1.4 -3.2 6.4 64 64 A L H 3> S+ 0 0 0 25,-0.4 4,-2.2 2,-0.2 5,-0.4 0.836 136.2 68.6 -36.0 -45.3 -1.8 -1.0 3.2 65 65 A M H 3> S+ 0 0 43 -5,-0.4 4,-2.0 1,-0.2 3,-0.3 0.914 115.0 24.3 -49.6 -48.5 -5.0 -3.1 2.6 66 66 A E H <> S+ 0 0 44 -3,-0.8 4,-1.9 -5,-0.4 -2,-0.2 0.892 114.4 67.1 -86.0 -35.0 -6.7 -1.5 5.6 67 67 A A H < S+ 0 0 9 -4,-3.1 -2,-0.2 -5,-0.3 -1,-0.2 0.703 118.6 26.9 -55.1 -25.5 -4.6 1.7 5.5 68 68 A Q H < S+ 0 0 30 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.706 106.6 72.9-101.7 -42.7 -6.4 2.3 2.2 69 69 A E H >< S+ 0 0 94 -4,-2.0 2,-1.8 -5,-0.4 3,-0.7 0.815 81.6 78.9 -48.7 -28.0 -9.7 0.4 2.7 70 70 A W T 3X + 0 0 81 -4,-1.9 4,-3.1 1,-0.2 -1,-0.3 -0.126 59.1 119.9 -72.4 48.0 -10.5 3.3 5.1 71 71 A C H 3> + 0 0 46 -2,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.971 69.9 51.1 -82.7 -47.3 -11.4 5.3 1.9 72 72 A R H <> S+ 0 0 216 -3,-0.7 4,-1.5 2,-0.2 5,-0.3 0.793 117.6 43.1 -59.3 -26.8 -15.0 6.0 3.0 73 73 A K H >>S+ 0 0 117 2,-0.2 4,-2.5 3,-0.2 5,-1.4 0.968 113.3 48.2 -83.7 -53.3 -13.4 7.2 6.3 74 74 A Y H <5S+ 0 0 74 -4,-3.1 -2,-0.2 3,-0.2 -3,-0.2 0.720 115.8 49.7 -55.7 -25.5 -10.5 9.2 4.6 75 75 A M H <5S+ 0 0 152 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.952 125.6 20.9 -77.6 -60.3 -13.2 10.7 2.3 76 76 A K H <5S+ 0 0 191 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.907 135.2 38.2 -78.0 -47.4 -15.9 11.8 4.8 77 77 A S T <5S- 0 0 37 -4,-2.5 -3,-0.2 -5,-0.3 3,-0.1 0.922 78.4-180.0 -68.5 -44.2 -13.7 12.0 7.9 78 78 A G < + 0 0 49 -5,-1.4 2,-0.5 1,-0.2 -4,-0.1 0.749 28.2 149.8 47.4 30.4 -10.8 13.4 5.8 79 79 A N >> - 0 0 90 -6,-0.2 3,-3.1 1,-0.1 4,-0.8 -0.831 57.2-141.2-105.1 124.0 -8.8 13.5 9.0 80 80 A V H 3> S+ 0 0 80 -2,-0.5 4,-3.7 1,-0.3 5,-0.4 0.753 96.3 86.3 -53.3 -19.0 -5.1 13.0 9.1 81 81 A K H 34 S+ 0 0 139 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.772 95.1 40.2 -53.3 -24.8 -5.9 11.0 12.2 82 82 A D H <> S+ 0 0 33 -3,-3.1 4,-2.7 2,-0.1 -1,-0.2 0.869 114.9 51.6 -88.8 -36.0 -6.5 8.1 9.7 83 83 A L H X S+ 0 0 7 -4,-0.8 4,-3.5 2,-0.2 5,-0.2 0.906 102.9 57.7 -68.8 -40.3 -3.4 9.0 7.6 84 84 A T H X S+ 0 0 59 -4,-3.7 4,-1.1 1,-0.2 -1,-0.2 0.879 113.7 41.6 -57.6 -34.2 -1.1 9.1 10.6 85 85 A Q H > S+ 0 0 79 -4,-0.4 4,-2.7 -5,-0.4 -2,-0.2 0.913 110.8 54.9 -78.7 -41.8 -2.2 5.5 11.1 86 86 A A H X S+ 0 0 1 -4,-2.7 4,-3.6 2,-0.2 5,-0.2 0.946 105.8 54.0 -58.0 -38.3 -2.0 4.6 7.4 87 87 A W H X S+ 0 0 65 -4,-3.5 4,-3.3 2,-0.2 5,-0.3 0.884 108.3 50.0 -62.0 -38.9 1.6 5.9 7.5 88 88 A D H X S+ 0 0 85 -4,-1.1 4,-3.9 2,-0.2 5,-0.4 0.974 113.6 43.9 -66.4 -46.0 2.2 3.4 10.3 89 89 A L H X S+ 0 0 32 -4,-2.7 4,-2.5 1,-0.2 -25,-0.4 0.912 117.7 46.5 -66.1 -39.7 0.7 0.5 8.4 90 90 A Y H X S+ 0 0 1 -4,-3.6 4,-1.9 -27,-0.2 -1,-0.2 0.900 120.6 37.5 -64.1 -45.1 2.6 1.6 5.2 91 91 A Y H X S+ 0 0 124 -4,-3.3 4,-0.8 2,-0.2 -2,-0.2 0.893 117.3 50.3 -77.7 -40.2 5.9 2.0 7.1 92 92 A H H X S+ 0 0 87 -4,-3.9 4,-1.0 -5,-0.3 3,-0.5 0.904 119.2 38.9 -65.2 -41.1 5.4 -1.0 9.4 93 93 A V H X>S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.4 5,-0.8 0.832 97.5 79.5 -78.3 -30.7 4.6 -3.1 6.3 94 94 A F H <5S+ 0 0 61 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.732 107.8 31.9 -47.8 -27.8 7.3 -1.3 4.2 95 95 A R H X>S+ 0 0 145 -4,-0.8 4,-1.3 -3,-0.5 5,-0.8 0.771 121.2 51.1 -95.3 -37.9 9.7 -3.7 6.1 96 96 A R H ><5S+ 0 0 96 -4,-1.0 3,-1.1 2,-0.2 -2,-0.2 0.999 117.6 35.7 -63.3 -66.1 7.2 -6.6 6.4 97 97 A I T 3<5S+ 0 0 4 -4,-1.7 -1,-0.2 1,-0.2 -3,-0.2 0.670 109.8 70.7 -62.9 -20.4 6.2 -6.8 2.7 98 98 A S T 34