==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-MAR-12 4E0T . COMPND 2 MOLECULE: CYCLIC DIPEPTIDE N-PRENYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FUMIGATUS; . AUTHOR J.M.SCHULLER,G.ZOCHER,T.STEHLE . 1626 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1147 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 272 16.7 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 . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 86 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 538 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 2.5 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 5 0 4 8 7 0 4 0 8 0 16 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 4 0 0 12 12 4 8 4 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 4 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 33 A P 0 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 103.9 10.4 -22.1 19.8 2 34 A I - 0 0 130 1,-0.1 4,-0.0 2,-0.0 2,-0.0 -0.668 360.0-113.4 -81.0 132.4 6.9 -21.3 21.0 3 35 A P > - 0 0 54 0, 0.0 3,-1.6 0, 0.0 4,-0.1 -0.376 17.9-123.9 -63.7 146.8 6.6 -18.5 23.6 4 36 A K T 3 S+ 0 0 62 1,-0.3 3,-0.4 2,-0.1 34,-0.1 0.837 114.3 54.7 -55.7 -35.2 5.5 -19.5 27.1 5 37 A D T >> + 0 0 14 1,-0.2 4,-1.7 2,-0.1 3,-0.9 -0.006 68.7 129.0 -91.5 31.3 2.7 -16.9 26.7 6 38 A I H <> + 0 0 37 -3,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.809 69.1 58.3 -52.6 -38.8 1.4 -18.5 23.4 7 39 A A H 3> S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.857 106.6 48.8 -64.1 -34.6 -2.2 -18.6 24.7 8 40 A Y H <> S+ 0 0 28 -3,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.923 113.0 45.9 -68.1 -49.2 -2.1 -14.8 25.3 9 41 A H H X S+ 0 0 79 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.844 114.7 50.3 -61.4 -35.5 -0.7 -14.2 21.7 10 42 A T H >< S+ 0 0 4 -4,-2.4 3,-0.7 -5,-0.2 4,-0.2 0.926 111.5 44.6 -69.4 -50.5 -3.4 -16.5 20.4 11 43 A L H >X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-1.6 0.822 103.8 66.0 -65.4 -29.1 -6.4 -14.9 22.2 12 44 A T H 3< S+ 0 0 43 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.848 99.4 52.9 -58.4 -33.4 -5.0 -11.5 21.1 13 45 A K T << S+ 0 0 106 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.531 118.7 34.9 -76.4 -11.1 -5.7 -12.5 17.5 14 46 A A T <4 S+ 0 0 0 -3,-1.6 2,-0.5 -4,-0.2 451,-0.2 0.557 95.2 86.1-122.6 -18.4 -9.4 -13.4 18.4 15 47 A L < - 0 0 6 -4,-1.8 2,-0.8 522,-0.1 447,-0.1 -0.829 53.4-160.8 -98.4 127.0 -10.6 -10.9 21.0 16 48 A L - 0 0 24 -2,-0.5 -3,-0.0 -3,-0.0 521,-0.0 -0.861 14.0-153.6-107.5 94.2 -12.1 -7.6 20.0 17 49 A F - 0 0 14 -2,-0.8 6,-0.0 1,-0.1 38,-0.0 -0.490 9.6-140.9 -68.3 133.6 -12.0 -5.2 23.1 18 50 A P S S+ 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.714 77.1 21.4 -75.5 -17.8 -14.7 -2.5 23.0 19 51 A D S > S- 0 0 25 1,-0.1 4,-1.9 1309,-0.1 3,-0.2 -0.958 79.2-107.7-146.9 163.9 -12.5 0.3 24.4 20 52 A I H > S+ 0 0 7 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.775 113.5 56.8 -59.9 -35.2 -8.9 1.4 24.9 21 53 A D H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.928 108.6 44.1 -67.8 -45.3 -8.9 0.7 28.7 22 54 A Q H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.910 114.0 53.1 -63.2 -43.1 -10.0 -3.0 28.4 23 55 A Y H X S+ 0 0 33 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.929 111.4 45.5 -55.7 -51.2 -7.4 -3.3 25.6 24 56 A Q H X S+ 0 0 51 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.868 112.1 50.1 -65.4 -36.9 -4.6 -1.9 27.8 25 57 A H H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.4 0.883 110.2 51.4 -67.6 -38.9 -5.6 -4.0 30.8 26 58 A W H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.962 114.1 43.2 -59.4 -53.3 -5.5 -7.1 28.6 27 59 A H H < S+ 0 0 47 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.769 117.2 47.0 -65.8 -27.0 -2.0 -6.3 27.3 28 60 A H H < S+ 0 0 50 -4,-1.7 4,-0.3 -5,-0.2 -1,-0.2 0.886 126.9 23.8 -79.6 -43.0 -0.7 -5.3 30.7 29 61 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.1 3,-0.3 0.864 108.0 66.6 -92.9 -48.8 -2.1 -8.4 32.6 30 62 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.4 5,-0.2 0.788 93.3 58.4 -55.2 -39.6 -2.6 -11.4 30.2 31 63 A P H > S+ 0 0 22 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.954 114.0 38.3 -59.1 -47.7 1.1 -12.1 29.3 32 64 A M H > S+ 0 0 10 -4,-0.3 4,-2.4 -3,-0.3 -2,-0.2 0.897 116.2 52.3 -66.6 -42.7 2.1 -12.7 32.9 33 65 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.923 108.4 51.2 -58.8 -45.2 -1.2 -14.5 33.7 34 66 A A H X S+ 0 0 0 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.880 111.5 48.0 -57.9 -41.1 -0.7 -16.8 30.7 35 67 A K H X S+ 0 0 13 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.922 110.1 51.1 -67.0 -44.7 2.9 -17.7 31.9 36 68 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.829 109.2 51.5 -60.6 -37.7 1.7 -18.4 35.5 37 69 A L H <>S+ 0 0 0 -4,-2.1 5,-1.9 2,-0.2 -1,-0.2 0.860 110.5 47.7 -70.5 -35.8 -1.0 -20.7 34.1 38 70 A V H ><5S+ 0 0 48 -4,-1.6 3,-1.6 -5,-0.2 -2,-0.2 0.960 114.0 48.5 -64.4 -49.2 1.6 -22.6 32.1 39 71 A D H 3<5S+ 0 0 14 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.795 105.5 56.8 -61.0 -34.9 3.8 -22.8 35.3 40 72 A G T 3<5S- 0 0 2 -4,-2.0 54,-0.3 -5,-0.1 -1,-0.3 0.443 113.5-118.7 -78.3 -0.8 1.0 -24.0 37.5 41 73 A K T < 5 + 0 0 147 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.789 52.3 167.2 65.9 33.5 0.5 -27.0 35.1 42 74 A Y < - 0 0 6 -5,-1.9 -1,-0.2 1,-0.1 5,-0.0 -0.489 44.5-100.1 -70.3 145.6 -3.1 -26.0 34.2 43 75 A S > - 0 0 62 -2,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.308 31.3-110.4 -63.4 155.0 -4.4 -28.0 31.2 44 76 A I H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.880 120.4 55.7 -53.4 -38.8 -4.2 -26.0 27.9 45 77 A H H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.914 108.7 45.3 -60.6 -48.4 -8.1 -25.9 28.0 46 78 A Q H > S+ 0 0 25 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.783 108.0 58.5 -67.1 -32.6 -8.1 -24.3 31.4 47 79 A Q H X S+ 0 0 18 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.977 112.5 40.1 -60.3 -50.0 -5.4 -21.8 30.3 48 80 A Y H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.881 114.8 53.6 -65.9 -42.3 -7.7 -20.6 27.5 49 81 A E H X S+ 0 0 19 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.901 113.5 40.9 -58.0 -48.5 -10.7 -20.7 29.8 50 82 A Y H X S+ 0 0 2 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.859 115.1 49.8 -75.2 -34.9 -9.2 -18.5 32.5 51 83 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.911 114.2 46.2 -66.8 -41.4 -7.5 -16.1 30.1 52 84 A C H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.895 111.6 51.8 -69.6 -36.3 -10.8 -15.6 28.2 53 85 A L H X>S+ 0 0 4 -4,-2.0 4,-2.7 1,-0.2 5,-0.8 0.870 107.4 51.9 -68.8 -36.6 -12.7 -15.3 31.5 54 86 A F H X>S+ 0 0 0 -4,-2.0 5,-2.6 3,-0.2 4,-1.0 0.931 113.8 44.7 -59.6 -50.3 -10.3 -12.6 32.6 55 87 A A H <5S+ 0 0 2 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.912 120.5 39.6 -60.0 -47.4 -10.9 -10.7 29.3 56 88 A Q H <5S+ 0 0 40 -4,-2.8 -2,-0.2 367,-0.2 -3,-0.2 0.862 133.1 16.6 -75.6 -40.0 -14.8 -11.2 29.4 57 89 A L H <5S+ 0 0 4 -4,-2.7 -3,-0.2 -5,-0.2 4,-0.2 0.766 128.6 36.9-104.4 -42.3 -15.5 -10.6 33.1 58 90 A V T >< - 0 0 41 -2,-2.2 3,-2.3 1,-0.2 2,-0.0 -0.222 47.2 -71.7 -60.5 152.9 -1.6 6.0 32.7 68 100 A P T 3 S+ 0 0 142 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.305 121.3 6.5 -55.2 125.4 1.0 8.3 34.5 69 101 A G T 3 S+ 0 0 87 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.389 90.8 144.5 84.6 -1.2 -0.7 11.6 35.6 70 102 A R < - 0 0 52 -3,-2.3 2,-1.5 1,-0.1 -1,-0.3 -0.565 52.5-130.4 -74.0 129.1 -4.2 10.4 34.7 71 103 A D + 0 0 128 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 -0.617 56.4 135.0 -83.5 85.2 -6.8 11.7 37.1 72 104 A V - 0 0 14 -2,-1.5 36,-0.1 94,-0.1 2,-0.1 -0.895 66.9 -78.6-132.0 158.1 -8.7 8.5 38.0 73 105 A Y - 0 0 11 -2,-0.3 2,-0.2 32,-0.1 35,-0.1 -0.369 60.4-135.3 -53.6 124.6 -10.1 6.7 41.0 74 106 A R + 0 0 120 92,-0.5 96,-0.6 94,-0.4 2,-0.3 -0.644 27.6 176.6-101.0 151.3 -7.0 5.0 42.6 75 107 A C - 0 0 7 5,-0.3 8,-0.1 -2,-0.2 7,-0.1 -0.938 25.9-142.3-144.0 156.1 -6.2 1.6 44.0 76 108 A T > + 0 0 77 -2,-0.3 3,-2.1 4,-0.2 6,-0.2 0.303 52.6 131.0-110.0 9.2 -3.0 -0.1 45.4 77 109 A L B >> S+B 81 0B 24 4,-1.4 4,-2.8 1,-0.3 3,-0.5 -0.414 86.7 8.5 -65.4 132.1 -3.4 -3.7 44.0 78 110 A G T 34 S- 0 0 0 1,-0.3 328,-2.3 2,-0.2 2,-0.4 0.702 138.3 -65.9 67.3 18.9 -0.1 -4.8 42.4 79 111 A G T <4 S+ 0 0 22 -3,-2.1 -1,-0.3 326,-0.2 -2,-0.1 -0.423 128.2 8.4 101.0 -52.6 1.3 -1.5 43.8 80 112 A N T <4 S+ 0 0 95 -3,-0.5 -5,-0.3 -2,-0.4 2,-0.2 0.182 110.2 83.3-146.8 16.7 -0.7 1.1 41.9 81 113 A M B < S-B 77 0B 7 -4,-2.8 -4,-1.4 2,-0.2 -2,-0.2 -0.578 77.8-116.5-116.9-178.4 -3.5 -0.8 39.9 82 114 A T S S+ 0 0 9 -2,-0.2 19,-1.9 -20,-0.2 2,-0.3 0.217 98.3 61.6 -99.4 8.3 -7.0 -2.2 40.4 83 115 A V E -C 100 0C 0 -6,-0.5 2,-0.3 17,-0.2 17,-0.2 -0.996 58.0-178.6-140.3 141.9 -5.6 -5.8 39.7 84 116 A E E -C 99 0C 23 15,-2.8 15,-2.8 -2,-0.3 2,-0.3 -0.997 13.6-149.2-142.2 137.3 -3.0 -8.1 41.4 85 117 A L E +C 98 0C 1 319,-0.4 319,-2.2 -2,-0.3 2,-0.3 -0.799 18.3 178.0-103.4 145.9 -1.7 -11.5 40.5 86 118 A S E -CD 97 403C 2 11,-2.0 11,-2.4 -2,-0.3 2,-0.4 -0.972 14.3-149.7-144.3 152.0 -0.5 -14.0 43.1 87 119 A Q E -CD 96 402C 3 315,-2.4 315,-2.4 -2,-0.3 2,-0.4 -0.988 6.0-147.5-125.5 141.1 0.8 -17.6 43.0 88 120 A N E -CD 95 401C 7 7,-2.8 7,-1.2 -2,-0.4 2,-0.4 -0.884 11.3-162.9-106.9 135.3 0.6 -20.4 45.6 89 121 A F E +CD 94 400C 8 311,-3.8 311,-2.3 -2,-0.4 2,-0.2 -0.980 22.3 147.3-123.6 127.8 3.3 -23.0 46.0 90 122 A Q - 0 0 30 3,-2.2 3,-0.2 -2,-0.4 309,-0.1 -0.798 62.1 -95.5-141.4-179.9 2.8 -26.3 47.8 91 123 A R S S+ 0 0 111 305,-0.7 269,-0.1 307,-0.3 3,-0.1 0.929 127.4 54.4 -69.1 -42.7 4.1 -29.9 47.6 92 124 A S S S- 0 0 97 304,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.677 121.3-110.9 -63.0 -20.1 0.9 -30.7 45.5 93 125 A G - 0 0 27 -3,-0.2 -3,-2.2 2,-0.0 2,-0.4 -0.955 44.2 -30.3 132.7-151.5 2.0 -27.8 43.2 94 126 A S E +C 89 0C 9 -54,-0.3 2,-0.3 -2,-0.3 -5,-0.2 -0.942 35.8 179.9-122.0 141.0 1.0 -24.2 42.0 95 127 A T E -C 88 0C 39 -7,-1.2 -7,-2.8 -2,-0.4 2,-0.3 -0.951 19.6-135.7-132.4 149.9 -2.3 -22.2 41.6 96 128 A T E -CE 87 179C 0 83,-0.5 83,-2.1 -2,-0.3 2,-0.4 -0.792 12.6-163.3-106.8 147.7 -2.9 -18.7 40.4 97 129 A R E -CE 86 178C 20 -11,-2.4 -11,-2.0 -2,-0.3 2,-0.5 -0.985 5.8-157.4-128.9 138.8 -5.2 -16.1 42.0 98 130 A I E -CE 85 177C 2 79,-2.1 79,-3.3 -2,-0.4 2,-0.4 -0.988 14.7-174.5-114.2 117.3 -6.4 -12.8 40.3 99 131 A A E +CE 84 176C 8 -15,-2.8 -15,-2.8 -2,-0.5 2,-0.3 -0.913 11.5 161.2-114.0 140.2 -7.5 -10.1 42.8 100 132 A F E -CE 83 175C 0 75,-2.8 75,-3.1 -2,-0.4 -17,-0.2 -0.991 41.0-124.7-154.5 155.7 -9.1 -6.9 41.7 101 133 A E - 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