==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-APR-08 3CRR . COMPND 2 MOLECULE: TRNA DELTA(2)-ISOPENTENYLPYROPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.H.HUANG,W.XIE,C.ZHOU . 236 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 11.4 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 . 13 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 1 0 3 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 1 1 1 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 1 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 3 A S 0 0 169 0, 0.0 115,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.7 69.6 43.9 41.0 2 4 A L - 0 0 96 113,-0.0 113,-0.2 1,-0.0 114,-0.2 -0.849 360.0-119.1-103.4 130.8 69.1 41.0 38.7 3 5 A P - 0 0 42 0, 0.0 113,-2.2 0, 0.0 86,-0.1 -0.250 38.8 -97.5 -63.0 150.7 67.2 41.3 35.4 4 6 A P E +a 116 0A 46 0, 0.0 2,-0.3 0, 0.0 113,-0.2 -0.254 41.0 174.3 -71.1 155.7 64.0 39.2 34.9 5 7 A A E -a 117 0A 0 111,-1.5 113,-2.5 89,-0.2 2,-0.4 -0.972 17.0-145.8-158.5 148.6 63.7 35.9 33.0 6 8 A I E -ab 118 96A 4 89,-3.0 91,-2.8 -2,-0.3 2,-0.5 -0.976 3.1-161.1-125.0 136.2 61.0 33.3 32.5 7 9 A F E -ab 119 97A 0 111,-2.6 113,-3.9 -2,-0.4 2,-0.5 -0.968 6.5-173.0-113.6 126.9 61.2 29.5 32.1 8 10 A L E +ab 120 98A 0 89,-3.4 91,-2.0 -2,-0.5 113,-0.2 -0.884 22.8 155.4-124.1 98.1 58.3 27.7 30.5 9 11 A M E +a 121 0A 0 111,-3.0 113,-1.9 -2,-0.5 91,-0.2 -0.575 4.5 127.1-116.6 179.3 58.7 23.9 30.8 10 12 A G - 0 0 0 89,-0.4 113,-0.1 111,-0.2 3,-0.1 -0.793 57.7 -53.1 150.7 168.1 56.6 20.8 30.8 11 13 A P S > S- 0 0 0 0, 0.0 3,-1.7 0, 0.0 5,-0.3 -0.167 71.4 -76.3 -67.6 163.5 56.3 17.4 29.0 12 14 A T T 3 S+ 0 0 19 1,-0.2 122,-0.1 183,-0.2 187,-0.0 -0.341 117.8 18.2 -62.5 137.1 56.1 17.1 25.3 13 15 A A T 3 S+ 0 0 21 -3,-0.1 -1,-0.2 120,-0.1 110,-0.1 0.446 85.9 119.7 81.3 4.0 52.6 18.0 23.8 14 16 A A S < S- 0 0 4 -3,-1.7 -2,-0.1 108,-0.1 109,-0.1 0.705 88.0-106.6 -71.3 -19.8 51.6 19.9 26.9 15 17 A G > + 0 0 29 -4,-0.2 4,-1.8 107,-0.1 5,-0.2 0.745 69.2 145.8 99.1 28.5 51.1 23.1 24.9 16 18 A K H > S+ 0 0 20 -5,-0.3 4,-2.2 1,-0.2 5,-0.2 0.939 73.7 50.0 -61.5 -50.5 54.2 25.0 26.0 17 19 A T H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.859 107.5 57.3 -57.7 -35.5 54.8 26.7 22.7 18 20 A D H > S+ 0 0 119 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.944 110.5 40.8 -60.7 -50.8 51.1 27.7 22.7 19 21 A L H X S+ 0 0 12 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.802 110.1 59.5 -68.9 -31.8 51.3 29.6 26.0 20 22 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.928 105.2 48.7 -62.9 -45.7 54.7 31.1 25.1 21 23 A M H X S+ 0 0 28 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.865 110.6 51.8 -62.3 -36.1 53.3 32.8 22.1 22 24 A A H >< S+ 0 0 34 -4,-1.3 3,-1.3 1,-0.2 4,-0.4 0.938 110.7 46.5 -65.9 -47.3 50.4 34.1 24.2 23 25 A L H >X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.3 3,-1.4 0.841 103.7 64.0 -62.6 -33.7 52.8 35.6 26.8 24 26 A A H 3< S+ 0 0 28 -4,-2.2 5,-0.4 1,-0.3 -1,-0.3 0.719 102.3 50.5 -63.0 -21.0 54.8 37.0 23.9 25 27 A D T << S+ 0 0 110 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.526 112.3 45.8 -93.9 -7.7 51.8 39.1 23.1 26 28 A A T <4 S+ 0 0 44 -3,-1.4 -2,-0.2 -4,-0.4 -3,-0.1 0.705 119.9 24.1-105.0 -27.6 51.3 40.4 26.7 27 29 A L S < S- 0 0 28 -4,-2.1 2,-1.5 67,-0.1 -1,-0.2 -0.919 89.5 -94.5-136.4 160.8 54.9 41.4 27.5 28 30 A P + 0 0 79 0, 0.0 66,-3.3 0, 0.0 2,-0.2 -0.618 64.1 167.9 -77.6 92.6 58.1 42.3 25.6 29 31 A C E -c 94 0A 21 -2,-1.5 2,-0.5 -5,-0.4 64,-0.0 -0.640 39.3-146.3-108.8 165.7 59.7 38.9 25.4 30 32 A E E -c 95 0A 12 64,-2.4 66,-2.8 -2,-0.2 2,-0.3 -0.942 27.2-139.0-129.0 103.2 62.5 37.2 23.6 31 33 A L E -cd 96 60A 7 28,-0.6 30,-2.5 -2,-0.5 2,-0.5 -0.497 22.3-176.8 -69.4 126.3 61.6 33.6 22.9 32 34 A I E -cd 97 61A 0 64,-2.7 66,-2.1 -2,-0.3 2,-0.2 -0.976 19.3-136.0-129.0 116.8 64.4 31.2 23.4 33 35 A S E -c 98 0A 3 28,-2.7 2,-0.5 -2,-0.5 66,-0.2 -0.515 12.5-167.4 -76.2 135.3 63.9 27.5 22.6 34 36 A V + 0 0 0 64,-2.2 67,-1.7 -2,-0.2 66,-0.4 -0.793 46.5 117.5-121.0 81.6 65.2 24.9 25.1 35 37 A D > - 0 0 40 -2,-0.5 4,-0.7 27,-0.2 -2,-0.1 -0.904 55.4-151.4-155.0 118.8 65.0 21.7 23.0 36 38 A S T 4 S+ 0 0 54 -2,-0.3 132,-0.1 1,-0.2 36,-0.1 0.596 100.8 45.7 -67.1 -10.7 67.8 19.4 21.8 37 39 A A T >4 S+ 0 0 14 2,-0.1 3,-1.8 1,-0.1 -1,-0.2 0.819 100.7 60.6-100.7 -40.1 65.7 18.5 18.7 38 40 A L T 34 S+ 0 0 13 1,-0.3 26,-2.1 9,-0.1 -2,-0.2 0.627 88.5 77.0 -65.7 -11.0 64.4 21.9 17.5 39 41 A I T 3< S+ 0 0 2 -4,-0.7 27,-2.3 24,-0.3 26,-1.1 0.742 79.5 91.3 -70.4 -19.0 68.0 23.0 17.0 40 42 A Y B X S-f 66 0B 8 -3,-1.8 3,-1.2 24,-0.2 27,-0.2 -0.659 71.2-139.0 -89.8 124.1 68.2 20.9 13.8 41 43 A R T 3 S+ 0 0 111 25,-2.6 -2,-0.1 -2,-0.5 3,-0.0 -0.421 90.3 30.8 -69.9 148.0 67.4 22.2 10.3 42 44 A G T 3 S+ 0 0 38 25,-0.1 2,-0.4 -2,-0.1 -1,-0.2 0.465 97.2 93.8 82.5 -0.2 65.4 19.8 8.2 43 45 A M < + 0 0 0 -3,-1.2 -3,-0.1 1,-0.1 21,-0.1 -0.773 45.0 119.4-125.2 82.9 63.7 18.2 11.2 44 46 A D > + 0 0 58 -2,-0.4 5,-2.2 4,-0.1 4,-0.3 0.774 67.4 44.2-114.4 -44.8 60.4 20.2 11.5 45 47 A I T > 5S+ 0 0 54 1,-0.2 3,-1.3 3,-0.2 101,-0.1 0.959 116.6 44.3 -70.8 -53.2 57.4 17.9 11.1 46 48 A G T 3 5S+ 0 0 5 1,-0.2 -1,-0.2 100,-0.2 125,-0.1 0.628 114.4 51.6 -68.2 -13.2 58.6 15.1 13.3 47 49 A T T 3 5S- 0 0 22 -10,-0.1 -1,-0.2 123,-0.1 -2,-0.2 0.421 107.0-122.0-102.0 -0.9 59.8 17.6 16.0 48 50 A A T < 5 + 0 0 46 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.842 48.1 177.8 62.1 33.0 56.5 19.5 16.2 49 51 A K < - 0 0 19 -5,-2.2 -1,-0.2 1,-0.1 3,-0.1 -0.450 37.4 -98.2 -70.1 137.8 58.5 22.6 15.2 50 52 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.259 50.1 -96.8 -54.9 142.7 56.4 25.8 14.9 51 53 A S > - 0 0 44 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.095 30.9-107.3 -58.6 160.3 55.6 26.6 11.2 52 54 A R H > S+ 0 0 206 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.858 122.5 52.2 -58.5 -35.0 57.7 29.0 9.2 53 55 A E H > S+ 0 0 133 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.917 109.1 47.4 -68.7 -43.3 54.8 31.5 9.4 54 56 A L H > S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.844 110.5 52.7 -67.2 -33.1 54.5 31.2 13.2 55 57 A L H < S+ 0 0 28 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.834 104.1 57.9 -70.7 -31.6 58.3 31.6 13.6 56 58 A A H < S+ 0 0 79 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.938 116.3 33.4 -63.1 -45.9 58.1 34.8 11.5 57 59 A R H < S+ 0 0 165 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.704 131.2 35.5 -83.3 -20.0 55.6 36.3 13.9 58 60 A Y S < S- 0 0 21 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.651 85.4-156.7-133.2 75.1 57.1 34.7 17.0 59 61 A P - 0 0 78 0, 0.0 -28,-0.6 0, 0.0 2,-0.4 -0.247 6.8-158.6 -56.0 135.1 60.9 34.5 16.5 60 62 A H E > -d 31 0A 26 -30,-0.1 3,-0.6 -5,-0.1 -28,-0.2 -0.966 8.9-138.6-120.3 133.1 62.7 31.8 18.5 61 63 A R E 3 S+d 32 0A 87 -30,-2.5 -28,-2.7 -2,-0.4 3,-0.1 -0.599 85.9 26.5 -84.9 150.7 66.4 31.7 19.4 62 64 A L T 3 S+ 0 0 17 1,-0.2 2,-0.4 -2,-0.2 -27,-0.2 0.793 88.7 120.7 68.2 31.6 68.2 28.4 19.2 63 65 A I S < S+ 0 0 17 -3,-0.6 -24,-0.3 1,-0.2 -1,-0.2 -0.986 79.2 5.4-123.0 135.1 65.9 26.8 16.5 64 66 A D S S+ 0 0 50 -26,-2.1 -24,-0.2 -2,-0.4 -25,-0.2 0.869 88.2 128.3 61.1 40.7 67.4 25.7 13.2 65 67 A I + 0 0 46 -26,-1.1 2,-0.3 -3,-0.2 -25,-0.2 0.452 61.5 45.0-104.1 -3.2 71.0 26.5 14.3 66 68 A R B S-f 40 0B 53 -27,-2.3 -25,-2.6 4,-0.1 -2,-0.1 -0.976 74.4-122.3-141.2 154.2 72.6 23.2 13.4 67 69 A D > - 0 0 40 -2,-0.3 3,-2.6 -27,-0.2 98,-0.1 -0.676 36.7-112.0 -89.3 149.4 72.7 20.7 10.6 68 70 A P T 3 S+ 0 0 2 0, 0.0 97,-0.5 0, 0.0 98,-0.2 0.697 116.4 63.7 -55.4 -20.0 71.7 17.1 11.5 69 71 A A T 3 S+ 0 0 41 96,-0.1 2,-0.2 90,-0.1 91,-0.0 0.630 94.4 81.6 -79.2 -11.9 75.3 15.9 10.9 70 72 A E S < S- 0 0 86 -3,-2.6 95,-0.3 93,-0.1 2,-0.3 -0.562 72.2-134.6 -95.7 158.1 76.4 18.1 13.8 71 73 A S - 0 0 73 -2,-0.2 2,-0.3 93,-0.1 -4,-0.1 -0.710 11.9-160.5-106.0 159.0 76.3 17.5 17.6 72 74 A Y - 0 0 17 -2,-0.3 2,-0.1 -36,-0.1 -33,-0.0 -0.934 8.6-156.5-145.0 117.3 75.1 20.0 20.3 73 75 A S > - 0 0 49 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.455 31.4-116.2 -93.0 164.9 76.0 19.7 24.0 74 76 A A H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.802 119.4 59.4 -65.2 -27.0 74.3 21.1 27.1 75 77 A A H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.897 106.2 44.8 -67.9 -41.3 77.5 23.1 27.4 76 78 A E H > S+ 0 0 67 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.881 111.5 53.3 -70.5 -37.3 77.0 24.8 24.1 77 79 A F H X S+ 0 0 2 -4,-2.2 4,-3.3 1,-0.2 5,-0.3 0.943 107.2 53.1 -60.1 -47.0 73.3 25.3 24.9 78 80 A R H X S+ 0 0 79 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.912 112.1 43.3 -52.9 -49.7 74.4 27.0 28.2 79 81 A A H X S+ 0 0 56 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.925 116.8 46.1 -65.1 -46.0 76.7 29.4 26.3 80 82 A D H X S+ 0 0 50 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.887 113.9 48.8 -64.4 -40.6 74.2 30.2 23.5 81 83 A A H X S+ 0 0 0 -4,-3.3 4,-2.5 -5,-0.2 -1,-0.2 0.902 110.3 50.2 -67.6 -41.8 71.4 30.7 26.0 82 84 A L H X S+ 0 0 53 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.897 112.8 48.5 -63.1 -37.6 73.4 33.0 28.2 83 85 A A H X S+ 0 0 61 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.921 112.3 47.0 -67.7 -45.4 74.3 35.0 25.1 84 86 A A H X S+ 0 0 12 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.880 112.5 50.8 -64.6 -38.5 70.7 35.2 23.9 85 87 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.902 111.1 46.9 -66.4 -42.3 69.5 36.2 27.3 86 88 A A H X S+ 0 0 48 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.890 112.2 51.6 -66.1 -39.7 72.0 39.0 27.7 87 89 A K H X S+ 0 0 118 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.876 113.8 43.3 -64.8 -39.9 71.2 40.2 24.2 88 90 A A H ><>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 3,-0.9 0.923 112.7 52.8 -71.9 -44.9 67.5 40.3 25.0 89 91 A T H ><5S+ 0 0 41 -4,-2.8 3,-2.5 1,-0.3 -2,-0.2 0.907 103.1 57.0 -56.4 -45.6 68.1 41.9 28.4 90 92 A A H 3<5S+ 0 0 90 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.770 107.9 50.2 -57.9 -25.9 70.2 44.7 26.9 91 93 A R T <<5S- 0 0 163 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.281 120.1-109.8 -95.7 8.5 67.1 45.5 24.7 92 94 A G T < 5S+ 0 0 59 -3,-2.5 2,-0.2 1,-0.3 -3,-0.2 0.566 75.4 137.6 75.5 6.4 64.8 45.5 27.7 93 95 A R < - 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