==== 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 06-AUG-07 2JTR . COMPND 2 MOLECULE: PHAGE SHOCK PROTEIN E; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.JIN,H.LI . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 3.5 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 . 7 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 3 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 2 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 A 0 0 107 0, 0.0 42,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-177.2 3.3 -0.5 -2.4 2 2 A E E -a 43 0A 95 40,-0.2 2,-0.3 42,-0.0 42,-0.2 -0.965 360.0-155.3-152.6 163.6 0.6 1.1 -4.6 3 3 A H E -a 44 0A 91 40,-2.0 42,-2.9 -2,-0.3 2,-0.6 -0.993 16.0-137.4-137.1 142.7 -2.2 3.6 -4.5 4 4 A W E -a 45 0A 52 16,-0.3 18,-2.3 -2,-0.3 2,-0.5 -0.900 26.8-176.6 -98.1 119.8 -5.4 3.9 -6.7 5 5 A I E -ab 46 22A 0 40,-2.8 42,-1.4 -2,-0.6 2,-0.4 -0.972 17.8-150.1-125.5 109.9 -5.9 7.5 -7.6 6 6 A D E -ab 47 23A 0 16,-3.0 18,-2.7 -2,-0.5 42,-0.2 -0.719 13.9-175.3 -70.9 132.5 -9.0 8.5 -9.6 7 7 A V + 0 0 0 40,-2.7 19,-2.3 -2,-0.4 20,-0.2 0.205 39.7 117.1-119.6 10.8 -8.0 11.6 -11.7 8 8 A R S S- 0 0 11 39,-0.4 5,-0.1 17,-0.2 16,-0.1 -0.254 84.7 -67.9 -67.8 170.6 -11.3 12.5 -13.4 9 9 A V >> - 0 0 52 16,-0.2 4,-1.7 1,-0.1 3,-1.4 -0.277 51.6-111.6 -57.8 150.4 -12.8 16.0 -12.5 10 10 A P H 3> S+ 0 0 57 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.831 115.5 56.0 -63.8 -34.3 -13.9 16.2 -8.8 11 11 A E H 34 S+ 0 0 149 1,-0.2 4,-0.3 2,-0.2 -2,-0.1 0.814 110.9 45.9 -65.7 -27.5 -17.7 16.4 -9.7 12 12 A Q H X> S+ 0 0 78 -3,-1.4 4,-0.9 2,-0.2 3,-0.6 0.803 104.4 59.5 -88.4 -30.7 -17.4 13.1 -11.6 13 13 A Y H >< S+ 0 0 64 -4,-1.7 3,-0.6 1,-0.2 -2,-0.2 0.949 102.5 56.3 -53.7 -47.4 -15.4 11.3 -9.0 14 14 A Q T 3< S+ 0 0 105 -4,-1.7 71,-2.5 1,-0.2 -1,-0.2 0.698 95.0 65.9 -64.8 -20.1 -18.3 11.8 -6.6 15 15 A Q T <4 S- 0 0 133 -3,-0.6 2,-0.2 -4,-0.3 -1,-0.2 0.977 127.1 -39.2 -65.2 -49.3 -20.8 10.1 -8.9 16 16 A E << + 0 0 77 -4,-0.9 2,-0.3 -3,-0.6 -1,-0.3 -0.869 65.9 174.7-178.9 134.4 -19.1 6.7 -8.5 17 17 A H E -D 83 0B 15 66,-2.8 66,-2.5 -2,-0.2 2,-0.2 -0.959 44.4 -74.5-148.1 160.8 -15.4 5.5 -8.2 18 18 A V E > -D 82 0B 0 -2,-0.3 3,-1.1 64,-0.2 64,-0.3 -0.445 62.3-104.4 -62.0 131.1 -13.4 2.3 -7.6 19 19 A Q T 3 S+ 0 0 105 62,-1.6 -1,-0.1 1,-0.2 3,-0.1 -0.224 99.8 21.3 -56.6 140.8 -13.6 1.5 -3.9 20 20 A G T 3 S+ 0 0 77 1,-0.3 -16,-0.3 -3,-0.1 -1,-0.2 0.601 98.2 118.4 75.8 12.4 -10.7 2.2 -1.6 21 21 A A < - 0 0 19 -3,-1.1 -1,-0.3 -18,-0.1 2,-0.2 -0.528 56.1-134.7 -95.8 172.8 -9.2 4.8 -4.0 22 22 A I E -b 5 0A 81 -18,-2.3 -16,-3.0 -2,-0.2 2,-0.4 -0.713 18.0-126.6-112.9 170.9 -8.5 8.5 -3.5 23 23 A N E +b 6 0A 21 -2,-0.2 -16,-0.2 -18,-0.2 -18,-0.1 -0.993 31.8 162.8-124.1 127.7 -9.3 11.3 -6.0 24 24 A I - 0 0 2 -18,-2.7 5,-0.1 -2,-0.4 -15,-0.1 -0.778 35.1-140.0-137.2 86.9 -6.8 13.8 -7.2 25 25 A P >> - 0 0 2 0, 0.0 3,-2.4 0, 0.0 4,-1.7 -0.131 22.9-110.3 -49.8 149.3 -8.3 15.4 -10.4 26 26 A L H 3> S+ 0 0 43 -19,-2.3 4,-0.5 1,-0.3 -18,-0.1 0.825 120.3 57.7 -46.8 -37.6 -6.0 16.1 -13.4 27 27 A K H 34 S+ 0 0 179 1,-0.2 -1,-0.3 -20,-0.2 4,-0.1 0.725 117.7 30.0 -62.2 -28.2 -6.4 19.8 -12.6 28 28 A E H X4 S+ 0 0 93 -3,-2.4 3,-1.4 2,-0.1 4,-0.5 0.447 92.3 96.1-113.2 -16.9 -5.2 19.4 -9.0 29 29 A V H >X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.3 3,-1.7 0.880 80.4 56.9 -55.4 -41.7 -2.7 16.5 -9.5 30 30 A K T 3< S+ 0 0 138 -4,-0.5 -1,-0.3 1,-0.3 4,-0.2 0.764 109.4 44.9 -57.4 -34.2 0.4 18.8 -9.8 31 31 A E T <4 S+ 0 0 176 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.458 128.8 22.0 -87.5 -6.9 -0.2 20.5 -6.5 32 32 A R T X> S+ 0 0 113 -3,-1.7 4,-2.2 -4,-0.5 3,-1.2 0.578 89.7 86.5-148.7 -25.1 -1.0 17.3 -4.5 33 33 A I H 3X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.3 -3,-0.1 0.915 93.1 60.3 -57.8 -36.0 0.3 14.1 -5.9 34 34 A A H 34 S+ 0 0 57 -5,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.724 108.8 43.0 -60.5 -25.9 3.6 15.0 -4.0 35 35 A T H <4 S+ 0 0 110 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.826 118.3 42.5 -88.6 -39.4 1.5 14.9 -0.8 36 36 A A H < S+ 0 0 30 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.781 132.1 23.1 -75.2 -31.5 -0.5 11.7 -1.6 37 37 A V < + 0 0 2 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.759 68.7 170.7-139.9 75.3 2.5 9.8 -3.0 38 38 A P + 0 0 115 0, 0.0 2,-0.5 0, 0.0 -4,-0.1 0.684 67.6 63.8 -69.9 -17.6 5.7 11.4 -1.4 39 39 A D > - 0 0 92 1,-0.1 3,-1.1 27,-0.0 27,-0.0 -0.947 69.4-157.4-113.2 123.5 7.9 8.6 -2.8 40 40 A K T 3 S+ 0 0 93 -2,-0.5 27,-0.8 1,-0.3 28,-0.6 0.615 88.3 69.3 -71.1 -26.7 8.1 8.3 -6.6 41 41 A N T 3 S+ 0 0 102 25,-0.1 -1,-0.3 26,-0.1 2,-0.1 0.577 79.2 103.8 -71.5 -14.6 9.2 4.7 -6.5 42 42 A D S < S- 0 0 19 -3,-1.1 2,-0.7 1,-0.1 26,-0.3 -0.403 84.5-107.2 -68.8 146.4 5.6 3.9 -5.3 43 43 A T E -a 2 0A 47 -42,-1.4 -40,-2.0 -2,-0.1 2,-0.7 -0.640 32.4-161.2 -81.5 117.9 3.2 2.4 -7.8 44 44 A V E -ac 3 69A 1 24,-1.7 26,-2.5 -2,-0.7 2,-0.6 -0.826 2.0-164.2-104.9 110.7 0.6 4.9 -8.9 45 45 A K E -ac 4 70A 49 -42,-2.9 -40,-2.8 -2,-0.7 2,-0.4 -0.876 13.5-170.0 -95.6 119.4 -2.5 3.4 -10.5 46 46 A V E +ac 5 71A 1 24,-2.7 26,-1.9 -2,-0.6 27,-0.7 -0.877 14.1 155.6-112.6 141.1 -4.5 6.1 -12.3 47 47 A Y E +ac 6 73A 0 -42,-1.4 -40,-2.7 -2,-0.4 -39,-0.4 -0.943 2.8 155.4-149.4 171.9 -8.0 5.8 -13.8 48 48 A C E - c 0 74A 0 25,-0.5 27,-2.0 -2,-0.3 2,-0.9 -0.934 59.0 -40.8-165.9-171.0 -10.9 8.0 -14.7 49 49 A N S S- 0 0 80 -2,-0.3 3,-0.5 25,-0.2 4,-0.4 -0.709 127.4 -11.8 -66.1 104.9 -13.9 8.2 -17.1 50 50 A A S S- 0 0 68 -2,-0.9 -1,-0.2 1,-0.2 24,-0.1 0.464 106.7 -88.7 85.5 5.7 -12.6 6.9 -20.3 51 51 A G S > S+ 0 0 14 -3,-0.4 4,-2.6 22,-0.2 -1,-0.2 0.142 97.8 109.7 92.0 -14.9 -8.9 6.9 -19.5 52 52 A R H > S+ 0 0 172 -3,-0.5 4,-2.9 1,-0.3 5,-0.3 0.919 76.8 46.7 -67.3 -52.2 -8.1 10.4 -20.7 53 53 A Q H > S+ 0 0 40 -4,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.838 116.4 50.8 -61.2 -29.5 -7.4 12.2 -17.4 54 54 A S H > S+ 0 0 0 2,-0.2 4,-2.7 3,-0.2 -2,-0.2 0.920 109.5 46.7 -72.9 -45.9 -5.2 9.1 -16.6 55 55 A G H X S+ 0 0 34 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.951 117.9 44.9 -60.6 -45.6 -3.2 9.1 -19.8 56 56 A Q H X S+ 0 0 100 -4,-2.9 4,-1.7 2,-0.2 5,-0.2 0.886 112.3 50.1 -62.6 -45.8 -2.7 12.9 -19.3 57 57 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.916 106.6 58.0 -62.2 -38.3 -1.9 12.5 -15.7 58 58 A K H X S+ 0 0 87 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.889 104.3 50.8 -58.6 -42.2 0.6 9.8 -16.7 59 59 A E H X S+ 0 0 146 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.976 114.4 41.1 -59.6 -56.3 2.5 12.3 -19.0 60 60 A I H X S+ 0 0 39 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.839 114.8 52.9 -66.8 -32.0 2.9 15.1 -16.3 61 61 A L H X>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-0.6 0.923 108.0 49.5 -71.6 -41.7 3.7 12.5 -13.6 62 62 A S H ><5S+ 0 0 64 -4,-2.4 3,-0.9 3,-0.2 -2,-0.2 0.911 112.4 49.7 -57.2 -41.3 6.5 10.9 -15.7 63 63 A E H 3<5S+ 0 0 180 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.914 106.0 54.2 -67.1 -39.0 7.8 14.5 -16.2 64 64 A M H 3<5S- 0 0 66 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.614 128.8-104.9 -67.9 -10.2 7.6 15.1 -12.4 65 65 A G T <<5S+ 0 0 25 -3,-0.9 2,-0.5 -4,-0.6 -3,-0.2 0.616 70.7 147.2 96.9 13.2 9.8 11.9 -12.3 66 66 A Y < - 0 0 10 -5,-2.7 -1,-0.3 1,-0.1 3,-0.2 -0.748 23.5-174.6 -70.2 130.1 7.3 9.3 -11.1 67 67 A T S S+ 0 0 110 -27,-0.8 -1,-0.1 -2,-0.5 -26,-0.1 0.461 70.6 55.4-109.2 -2.1 8.6 6.1 -12.9 68 68 A H + 0 0 70 -28,-0.6 -24,-1.7 -26,-0.3 2,-0.4 -0.239 66.2 135.6-131.8 34.3 5.8 3.6 -11.9 69 69 A V E -c 44 0A 10 -3,-0.2 2,-0.4 -26,-0.2 -24,-0.2 -0.784 28.4-179.7 -85.7 139.1 2.5 5.3 -13.0 70 70 A E E -c 45 0A 114 -26,-2.5 -24,-2.7 -2,-0.4 2,-0.9 -0.999 30.7-130.5-141.1 129.1 0.1 2.9 -14.8 71 71 A N E -c 46 0A 64 -2,-0.4 -24,-0.2 -26,-0.2 3,-0.1 -0.767 18.8-165.8 -77.1 109.4 -3.3 3.6 -16.3 72 72 A A E - 0 0 34 -26,-1.9 2,-0.3 -2,-0.9 -25,-0.2 0.716 49.6 -96.0 -64.9 -27.8 -5.4 0.8 -14.7 73 73 A G E -c 47 0A 12 -27,-0.7 -25,-0.5 5,-0.1 2,-0.3 -0.966 52.8 -52.7 148.1-153.0 -8.1 1.4 -17.2 74 74 A G E >> -c 48 0A 11 -2,-0.3 4,-2.4 -27,-0.2 3,-1.3 -0.859 57.6 -95.0-116.2 162.4 -11.3 3.5 -17.1 75 75 A L T 34 S+ 0 0 15 -27,-2.0 -26,-0.1 -2,-0.3 5,-0.1 0.792 123.0 42.8 -37.3 -51.5 -14.2 3.3 -14.5 76 76 A K T 34 S+ 0 0 195 1,-0.2 -1,-0.3 3,-0.0 -27,-0.1 0.741 113.6 47.0 -68.6 -40.7 -16.2 0.9 -16.6 77 77 A D T <4 S+ 0 0 127 -3,-1.3 -2,-0.2 2,-0.0 2,-0.2 0.832 88.5 96.4 -81.4 -33.4 -13.6 -1.4 -17.8 78 78 A I < - 0 0 10 -4,-2.4 -5,-0.1 1,-0.2 -6,-0.0 -0.364 66.7-151.6 -62.4 123.8 -12.0 -1.9 -14.4 79 79 A A + 0 0 106 -2,-0.2 -1,-0.2 2,-0.0 -3,-0.0 0.527 61.1 109.1 -78.1 -8.8 -13.5 -5.1 -12.9 80 80 A M S S- 0 0 74 1,-0.1 0, 0.0 -5,-0.1 0, 0.0 -0.299 78.9 -95.7 -66.5 152.8 -13.1 -3.8 -9.3 81 81 A P - 0 0 78 0, 0.0 -62,-1.6 0, 0.0 2,-0.3 -0.201 40.1-145.7 -61.6 162.1 -16.2 -2.9 -7.2 82 82 A K E -D 18 0B 69 -64,-0.3 2,-0.3 -62,-0.0 -64,-0.2 -0.912 11.7-164.0-130.5 156.4 -17.3 0.8 -7.0 83 83 A V E -D 17 0B 57 -66,-2.5 -66,-2.8 -2,-0.3 2,-0.2 -0.916 22.5-118.0-135.5 162.5 -18.8 3.1 -4.4 84 84 A K 0 0 150 -2,-0.3 -68,-0.2 -68,-0.3 -69,-0.2 -0.497 360.0 360.0 -96.0 157.9 -20.5 6.5 -4.7 85 85 A G 0 0 101 -71,-2.5 -1,-0.1 -2,-0.2 -71,-0.0 -0.700 360.0 360.0 -71.9 360.0 -19.5 9.8 -3.2