==== 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 3CRQ . 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) . 11821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 72.0 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 . 95 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 2 2 0 1 0 0 0 0 0 1 1 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,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 72.6 69.1 43.8 40.7 2 4 A L - 0 0 90 1,-0.1 114,-0.2 113,-0.1 113,-0.2 -0.406 360.0-108.5 -68.4 133.5 69.2 41.0 38.1 3 5 A P - 0 0 43 0, 0.0 113,-2.3 0, 0.0 -1,-0.1 -0.184 41.5 -97.9 -59.4 153.1 67.2 41.4 34.9 4 6 A P E +a 116 0A 48 0, 0.0 2,-0.3 0, 0.0 113,-0.2 -0.336 41.0 174.0 -75.2 154.1 64.0 39.2 34.5 5 7 A A E -a 117 0A 0 111,-1.6 113,-2.4 89,-0.2 2,-0.4 -0.979 18.3-140.4-156.1 151.9 63.7 35.9 32.5 6 8 A I E -ab 118 96A 8 89,-3.2 91,-2.5 -2,-0.3 2,-0.5 -0.957 4.6-160.8-123.5 138.7 61.0 33.3 32.0 7 9 A F E -ab 119 97A 0 111,-2.7 113,-3.8 -2,-0.4 2,-0.5 -0.977 7.0-175.5-115.9 125.6 61.3 29.5 31.8 8 10 A L E +ab 120 98A 0 89,-2.9 91,-1.5 -2,-0.5 113,-0.2 -0.832 21.7 155.3-124.8 91.9 58.4 27.6 30.2 9 11 A M E +a 121 0A 0 111,-2.7 113,-1.8 -2,-0.5 91,-0.2 -0.499 2.6 128.4-109.6 179.5 58.9 23.9 30.4 10 12 A G - 0 0 0 89,-0.4 113,-0.1 111,-0.2 3,-0.1 -0.746 58.1 -54.7 149.5 163.7 56.7 20.8 30.4 11 13 A P S > S- 0 0 0 0, 0.0 3,-1.8 0, 0.0 5,-0.3 -0.129 71.9 -76.0 -63.5 161.7 56.4 17.4 28.7 12 14 A T T 3 S+ 0 0 19 1,-0.2 122,-0.1 183,-0.2 187,-0.0 -0.295 118.7 17.1 -59.2 139.1 56.2 17.1 24.9 13 15 A A T 3 S+ 0 0 21 -3,-0.1 -1,-0.2 120,-0.1 110,-0.1 0.444 86.8 120.8 78.1 1.6 52.8 18.0 23.5 14 16 A A S < S- 0 0 5 -3,-1.8 -2,-0.1 108,-0.1 109,-0.1 0.836 88.6-103.1 -64.7 -33.6 51.8 19.8 26.7 15 17 A G S > S+ 0 0 26 -4,-0.3 4,-2.1 107,-0.1 5,-0.2 0.611 72.7 142.0 116.4 23.5 51.2 23.1 24.8 16 18 A K H > S+ 0 0 18 -5,-0.3 4,-2.4 1,-0.2 5,-0.2 0.929 74.1 47.4 -59.8 -51.0 54.4 25.0 25.7 17 19 A T H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.899 110.2 55.5 -59.1 -40.7 54.9 26.6 22.3 18 20 A D H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.952 111.7 40.7 -56.4 -55.3 51.3 27.6 22.2 19 21 A L H X S+ 0 0 11 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.839 110.6 58.9 -63.8 -36.4 51.4 29.5 25.5 20 22 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.911 106.9 46.6 -60.6 -44.0 54.8 31.0 24.7 21 23 A M H X S+ 0 0 17 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.900 110.8 53.1 -65.1 -39.9 53.4 32.7 21.6 22 24 A A H >< S+ 0 0 31 -4,-1.7 3,-1.1 1,-0.2 4,-0.4 0.943 111.9 45.0 -58.8 -48.1 50.4 33.9 23.6 23 25 A L H >X S+ 0 0 6 -4,-2.8 4,-1.8 1,-0.3 3,-0.9 0.783 103.7 64.6 -65.4 -29.5 52.7 35.4 26.1 24 26 A A H 3< S+ 0 0 27 -4,-1.8 5,-0.4 1,-0.3 -1,-0.3 0.737 103.0 49.0 -66.1 -23.0 54.8 36.8 23.3 25 27 A D T << S+ 0 0 110 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.546 111.4 49.3 -92.2 -9.5 51.8 38.9 22.4 26 28 A A T <4 S+ 0 0 40 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.1 0.715 118.9 21.0-100.2 -25.8 51.3 40.1 26.0 27 29 A L S < S- 0 0 26 -4,-1.8 2,-1.5 67,-0.1 -1,-0.2 -0.927 88.6 -91.7-140.7 163.5 54.8 41.3 26.8 28 30 A P + 0 0 79 0, 0.0 66,-3.0 0, 0.0 2,-0.2 -0.617 66.1 164.8 -77.4 91.3 58.0 42.3 25.0 29 31 A C E -c 94 0A 19 -2,-1.5 2,-0.4 -5,-0.4 64,-0.1 -0.637 41.6-145.4-110.9 168.1 59.6 38.9 24.9 30 32 A E E -c 95 0A 17 64,-2.1 66,-2.5 -2,-0.2 2,-0.3 -0.927 26.9-139.4-130.6 100.5 62.5 37.2 23.1 31 33 A L E -cd 96 60A 7 28,-0.6 30,-2.5 -2,-0.4 2,-0.5 -0.474 21.6-174.5 -67.3 125.1 61.5 33.6 22.4 32 34 A I E -cd 97 61A 0 64,-2.7 66,-2.0 -2,-0.3 2,-0.2 -0.966 18.4-136.0-126.0 114.7 64.4 31.2 23.0 33 35 A S E -c 98 0A 3 28,-2.7 2,-0.4 -2,-0.5 66,-0.2 -0.479 14.3-169.8 -72.6 135.3 64.0 27.6 22.2 34 36 A V + 0 0 0 64,-1.8 67,-1.7 -2,-0.2 2,-0.3 -0.755 46.1 117.2-123.5 75.9 65.3 25.0 24.7 35 37 A D > - 0 0 38 -2,-0.4 4,-0.6 27,-0.3 -2,-0.1 -0.937 56.1-150.0-151.1 121.6 65.0 21.8 22.5 36 38 A S T 4 S+ 0 0 56 -2,-0.3 132,-0.1 1,-0.2 4,-0.1 0.626 100.0 43.4 -66.9 -14.9 67.8 19.5 21.4 37 39 A A T >4 S+ 0 0 12 2,-0.1 3,-2.2 1,-0.1 -1,-0.2 0.842 100.3 63.8 -99.1 -40.8 65.9 18.6 18.2 38 40 A L T 34 S+ 0 0 13 1,-0.3 26,-1.8 9,-0.1 -2,-0.1 0.618 88.3 75.0 -60.1 -12.9 64.5 22.0 17.0 39 41 A I T 3< S+ 0 0 2 -4,-0.6 27,-2.4 24,-0.3 26,-1.0 0.770 79.3 92.6 -70.5 -23.1 68.1 23.1 16.5 40 42 A Y B X S-f 66 0B 9 -3,-2.2 3,-1.3 24,-0.2 27,-0.2 -0.605 72.0-138.1 -84.2 121.6 68.3 20.9 13.4 41 43 A R T 3 S+ 0 0 110 25,-2.6 -2,-0.1 -2,-0.5 3,-0.0 -0.404 91.3 29.8 -67.5 146.5 67.5 22.3 9.9 42 44 A G T 3 S+ 0 0 39 1,-0.1 2,-0.4 25,-0.1 -1,-0.2 0.497 97.9 94.3 81.6 1.0 65.4 19.9 7.8 43 45 A M < + 0 0 0 -3,-1.3 -3,-0.1 1,-0.1 21,-0.1 -0.776 44.5 119.5-126.2 82.4 63.8 18.4 10.9 44 46 A D > + 0 0 54 -2,-0.4 5,-2.3 4,-0.1 4,-0.3 0.774 68.0 43.7-113.9 -46.4 60.5 20.4 11.2 45 47 A I T > 5S+ 0 0 50 1,-0.2 3,-1.8 3,-0.2 101,-0.1 0.976 115.3 46.4 -69.0 -56.1 57.5 18.0 10.9 46 48 A G T 3 5S+ 0 0 6 1,-0.3 -1,-0.2 100,-0.1 125,-0.1 0.713 115.2 48.5 -60.7 -20.4 58.8 15.2 13.1 47 49 A T T 3 5S- 0 0 20 -10,-0.1 -1,-0.3 123,-0.1 -2,-0.2 0.392 107.6-121.2-100.4 0.7 59.9 17.7 15.7 48 50 A A T < 5 + 0 0 45 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.829 47.5 178.0 62.7 31.5 56.6 19.7 15.8 49 51 A K < - 0 0 18 -5,-2.3 -1,-0.2 1,-0.1 3,-0.1 -0.389 38.2 -96.5 -66.0 140.7 58.6 22.8 14.9 50 52 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.291 50.7 -96.1 -58.1 146.0 56.5 25.9 14.5 51 53 A S > - 0 0 45 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.110 31.0-107.3 -60.1 160.2 55.6 26.6 10.8 52 54 A R H > S+ 0 0 204 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.910 122.6 49.6 -55.1 -43.6 57.7 29.0 8.7 53 55 A E H > S+ 0 0 135 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.916 111.1 47.4 -63.5 -44.9 54.8 31.5 8.9 54 56 A L H > S+ 0 0 65 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.859 110.1 53.2 -66.0 -35.1 54.4 31.2 12.7 55 57 A L H < S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.792 102.7 59.6 -69.8 -27.6 58.2 31.6 13.2 56 58 A A H < S+ 0 0 81 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.899 115.8 32.8 -67.0 -39.6 58.0 34.8 11.1 57 59 A R H < S+ 0 0 161 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.547 131.4 36.2 -93.0 -9.4 55.6 36.3 13.6 58 60 A Y S < S- 0 0 19 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.574 83.3-163.1-141.3 71.3 57.1 34.5 16.6 59 61 A P - 0 0 85 0, 0.0 -28,-0.6 0, 0.0 2,-0.4 -0.329 5.8-158.5 -59.8 134.2 60.9 34.4 16.0 60 62 A H E -d 31 0A 25 -30,-0.1 3,-0.5 -5,-0.1 -28,-0.2 -0.936 10.5-134.2-118.3 140.2 62.7 31.8 18.1 61 63 A R E S+d 32 0A 92 -30,-2.5 -28,-2.7 -2,-0.4 3,-0.1 -0.623 87.5 29.1 -87.2 150.7 66.4 31.8 19.0 62 64 A L S S+ 0 0 17 -2,-0.2 2,-0.4 1,-0.2 -27,-0.3 0.835 87.8 122.6 69.4 37.6 68.2 28.4 18.7 63 65 A I S S+ 0 0 18 -3,-0.5 -24,-0.3 1,-0.2 -1,-0.2 -0.999 78.6 2.1-130.4 129.8 66.1 27.0 16.0 64 66 A D S S+ 0 0 51 -26,-1.8 -24,-0.2 -2,-0.4 -25,-0.2 0.884 89.3 129.2 62.5 39.5 67.6 25.8 12.7 65 67 A I + 0 0 41 -26,-1.0 2,-0.3 -3,-0.1 -25,-0.2 0.456 61.6 45.8-101.5 -3.4 71.0 26.7 13.9 66 68 A R B S-f 40 0B 52 -27,-2.4 -25,-2.6 4,-0.1 -2,-0.1 -0.983 75.4-121.2-142.0 152.1 72.7 23.4 13.1 67 69 A D > - 0 0 41 -2,-0.3 3,-2.7 -27,-0.2 -25,-0.1 -0.655 35.2-114.8 -86.0 147.4 72.9 20.8 10.3 68 70 A P T 3 S+ 0 0 3 0, 0.0 97,-0.5 0, 0.0 98,-0.2 0.679 115.5 62.9 -55.9 -19.1 71.8 17.2 11.1 69 71 A A T 3 S+ 0 0 43 96,-0.1 2,-0.2 90,-0.1 -2,-0.0 0.519 94.4 83.9 -83.4 -5.1 75.4 16.0 10.6 70 72 A E S < S- 0 0 87 -3,-2.7 2,-0.2 93,-0.1 95,-0.2 -0.640 71.6-134.4-100.9 158.4 76.5 18.2 13.5 71 73 A S - 0 0 78 -2,-0.2 2,-0.3 93,-0.1 -4,-0.1 -0.669 12.8-161.5-103.7 160.8 76.5 17.7 17.2 72 74 A Y - 0 0 18 -2,-0.2 2,-0.2 -6,-0.1 -33,-0.0 -0.951 8.5-153.1-146.2 122.2 75.3 20.1 19.8 73 75 A S > - 0 0 48 -2,-0.3 4,-2.4 1,-0.1 3,-0.2 -0.570 29.6-117.8 -96.9 161.4 76.3 19.9 23.5 74 76 A A H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.764 119.9 58.0 -63.9 -22.8 74.5 21.1 26.6 75 77 A A H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 104.7 47.3 -74.4 -39.9 77.6 23.3 27.0 76 78 A E H > S+ 0 0 69 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.901 111.7 51.1 -67.6 -39.2 77.1 24.9 23.6 77 79 A F H X S+ 0 0 2 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.944 107.0 55.9 -59.1 -47.4 73.4 25.5 24.5 78 80 A R H X S+ 0 0 72 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.923 112.6 39.5 -48.5 -54.3 74.7 27.1 27.7 79 81 A A H X S+ 0 0 57 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.900 117.3 50.0 -66.3 -41.5 76.8 29.6 25.9 80 82 A D H X S+ 0 0 49 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.887 112.1 46.8 -65.0 -41.0 74.2 30.2 23.1 81 83 A A H X S+ 0 0 0 -4,-3.4 4,-2.7 2,-0.2 5,-0.2 0.915 111.2 50.7 -68.3 -44.5 71.4 30.8 25.6 82 84 A L H X S+ 0 0 57 -4,-2.1 4,-2.2 -5,-0.3 5,-0.2 0.883 111.9 49.4 -60.2 -38.7 73.4 33.1 27.8 83 85 A A H X S+ 0 0 61 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.938 112.8 45.7 -66.2 -47.2 74.3 35.1 24.6 84 86 A A H X S+ 0 0 12 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.852 113.0 51.2 -65.0 -35.4 70.7 35.3 23.5 85 87 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.907 111.2 46.2 -68.8 -42.7 69.5 36.3 26.9 86 88 A A H X S+ 0 0 52 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.921 113.5 50.5 -65.3 -42.9 72.1 39.1 27.3 87 89 A K H X S+ 0 0 118 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.908 113.4 44.2 -61.5 -44.9 71.2 40.3 23.8 88 90 A A H ><>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 3,-0.8 0.918 113.6 51.9 -66.2 -43.6 67.5 40.3 24.5 89 91 A T H ><5S+ 0 0 38 -4,-2.6 3,-2.3 1,-0.3 -2,-0.2 0.896 102.5 56.7 -60.5 -44.5 68.0 41.9 27.9 90 92 A A H 3<5S+ 0 0 92 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.721 108.2 52.1 -61.0 -19.1 70.1 44.8 26.5 91 93 A R T <<5S- 0 0 161 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.398 120.4-110.4 -96.3 -0.7 67.1 45.5 24.3 92 94 A G T < 5S+ 0 0 58 -3,-2.3 -3,-0.2 1,-0.3 2,-0.2 0.461 75.5 136.0 84.8 0.0 64.7 45.6 27.2 93 95 A R < - 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