==== 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 2JTQ . 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) . 5264.0 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 . 15 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 4.7 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 . 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 . 10 11.8 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 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 0 PARALLEL BRIDGES PER LADDER . 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 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 89 0, 0.0 42,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 72.5 1.0 -0.2 -0.1 2 2 A E E +a 43 0A 95 40,-0.2 2,-0.3 2,-0.0 42,-0.2 -0.932 360.0 173.5-153.3 144.5 1.9 -3.9 -0.8 3 3 A H E -a 44 0A 72 40,-2.7 42,-3.0 -2,-0.3 2,-0.5 -0.948 23.6-137.2-139.0 161.6 0.2 -7.0 -2.2 4 4 A W E -a 45 0A 38 16,-0.3 18,-2.5 -2,-0.3 2,-0.5 -0.990 19.6-171.8-121.1 123.9 1.5 -10.5 -3.1 5 5 A I E -ab 46 22A 0 40,-2.9 42,-1.7 -2,-0.5 2,-0.7 -0.969 16.1-148.1-122.8 108.3 0.1 -12.0 -6.4 6 6 A D E -ab 47 23A 0 16,-3.2 18,-2.4 -2,-0.5 42,-0.2 -0.731 13.8-175.1 -69.3 112.1 1.0 -15.6 -7.2 7 7 A V + 0 0 0 40,-2.8 19,-2.3 -2,-0.7 20,-0.2 0.311 48.4 112.1 -94.1 2.1 1.1 -15.5 -11.1 8 8 A R S S- 0 0 12 39,-0.5 16,-0.1 17,-0.2 5,-0.0 -0.177 87.1 -73.9 -62.8 163.5 1.6 -19.3 -11.1 9 9 A V >> - 0 0 66 1,-0.1 3,-1.2 16,-0.1 4,-0.9 -0.417 46.1-121.3 -58.5 142.0 -1.0 -21.8 -12.5 10 10 A P H 3> S+ 0 0 60 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.704 104.7 72.4 -68.6 -19.1 -3.9 -22.0 -9.9 11 11 A E H 34 S+ 0 0 146 1,-0.2 3,-0.1 2,-0.2 -2,-0.0 0.879 100.0 43.8 -60.0 -38.9 -3.3 -25.8 -9.5 12 12 A Q H X> S+ 0 0 66 -3,-1.2 4,-2.1 1,-0.2 3,-1.9 0.794 102.8 65.2 -82.4 -28.2 -0.1 -25.3 -7.5 13 13 A Y H 3< S+ 0 0 63 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.886 97.2 58.6 -57.2 -35.5 -1.6 -22.5 -5.4 14 14 A Q T 3< S+ 0 0 125 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.364 108.7 45.0 -73.9 1.0 -4.0 -25.2 -4.0 15 15 A Q T <4 S- 0 0 134 -3,-1.9 70,-1.4 1,-0.4 2,-0.3 0.684 132.4 -12.8-111.9 -42.3 -0.9 -27.2 -2.8 16 16 A E E < +D 84 0B 60 -4,-2.1 -1,-0.4 68,-0.3 2,-0.3 -0.941 64.5 159.7-160.1 140.3 1.1 -24.3 -1.3 17 17 A H E -D 83 0B 28 66,-2.4 66,-2.5 -2,-0.3 2,-0.2 -0.967 47.5 -84.0-152.0 162.7 1.0 -20.5 -1.3 18 18 A V E > -D 82 0B 2 -2,-0.3 3,-2.2 64,-0.2 2,-0.4 -0.520 57.4 -98.5 -66.3 134.8 2.3 -17.6 0.8 19 19 A Q T 3 S+ 0 0 122 62,-2.4 -1,-0.1 1,-0.3 63,-0.0 -0.409 108.9 11.2 -58.0 108.3 -0.0 -16.8 3.7 20 20 A G T 3 S+ 0 0 77 -2,-0.4 -16,-0.3 1,-0.3 -1,-0.3 0.490 96.4 127.8 100.4 4.7 -2.2 -13.9 2.6 21 21 A A < - 0 0 11 -3,-2.2 -1,-0.3 -18,-0.1 2,-0.3 -0.483 52.1-131.4 -80.6 165.3 -1.3 -13.8 -1.1 22 22 A I E -b 5 0A 75 -18,-2.5 -16,-3.2 -2,-0.2 2,-0.5 -0.810 13.2-138.9-102.7 154.1 -3.8 -13.8 -4.0 23 23 A N E +b 6 0A 21 -2,-0.3 -16,-0.2 -18,-0.2 -18,-0.0 -0.976 33.1 155.2-111.0 131.5 -3.5 -16.2 -7.0 24 24 A I - 0 0 1 -18,-2.4 5,-0.1 -2,-0.5 -2,-0.1 -0.831 44.1-123.2-146.5 110.0 -4.2 -14.7 -10.4 25 25 A P >> - 0 0 24 0, 0.0 4,-2.3 0, 0.0 3,-2.1 -0.212 30.6-104.5 -62.0 150.9 -2.5 -16.7 -13.2 26 26 A L H 3> S+ 0 0 31 -19,-2.3 4,-1.6 1,-0.3 -18,-0.1 0.800 118.7 54.4 -49.5 -42.5 -0.2 -14.5 -15.4 27 27 A K H 34 S+ 0 0 188 1,-0.2 -1,-0.3 -20,-0.2 -20,-0.0 0.782 116.0 38.6 -67.8 -30.0 -2.5 -14.4 -18.3 28 28 A E H X> S+ 0 0 86 -3,-2.1 4,-3.3 2,-0.1 3,-2.4 0.800 106.3 67.8 -80.1 -37.1 -5.4 -13.1 -16.2 29 29 A V H 3X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.3 5,-0.3 0.855 88.0 65.9 -54.5 -38.5 -3.1 -10.8 -14.1 30 30 A K H 3< S+ 0 0 117 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.1 0.526 121.7 18.4 -65.1 -7.1 -2.4 -8.6 -17.1 31 31 A E H X4 S+ 0 0 163 -3,-2.4 3,-1.3 2,-0.0 4,-0.4 0.577 124.0 53.9-119.3 -49.7 -6.1 -7.6 -16.9 32 32 A R H >X S+ 0 0 111 -4,-3.3 4,-1.9 1,-0.3 3,-0.9 0.679 92.1 71.7 -73.9 -20.5 -7.3 -8.5 -13.5 33 33 A I H 3X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.3 -1,-0.3 0.897 91.7 62.0 -59.4 -35.3 -4.6 -6.6 -11.6 34 34 A A H <4 S+ 0 0 54 -3,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.783 109.9 39.8 -60.8 -28.1 -6.4 -3.4 -12.8 35 35 A T H <4 S+ 0 0 121 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.783 122.4 40.4 -86.8 -35.6 -9.5 -4.6 -10.8 36 36 A A H < S+ 0 0 49 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.778 133.7 18.0 -84.0 -30.6 -7.5 -6.0 -7.8 37 37 A V < + 0 0 5 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.644 63.6 163.0-145.3 66.3 -4.9 -3.1 -7.5 38 38 A P + 0 0 98 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.811 62.2 85.7 -64.6 -27.0 -6.2 -0.1 -9.4 39 39 A D > - 0 0 95 1,-0.2 3,-1.9 -3,-0.1 27,-0.0 -0.662 68.3-162.6 -73.7 100.9 -3.6 2.0 -7.5 40 40 A K T 3 S+ 0 0 91 -2,-1.0 27,-1.6 1,-0.3 28,-0.9 0.586 83.4 66.2 -60.9 -15.8 -0.5 1.5 -9.7 41 41 A N T 3 S+ 0 0 81 26,-0.2 -1,-0.3 25,-0.2 2,-0.1 0.447 74.3 111.0 -87.4 -6.5 1.8 2.7 -6.8 42 42 A D S < S- 0 0 17 -3,-1.9 2,-1.5 1,-0.1 26,-0.4 -0.475 83.4-108.4 -66.1 140.9 0.9 -0.4 -4.6 43 43 A T E -a 2 0A 26 -42,-1.5 -40,-2.7 -2,-0.1 2,-1.1 -0.553 36.3-165.6 -72.0 92.0 3.9 -2.7 -4.2 44 44 A V E -ac 3 69A 0 -2,-1.5 26,-2.3 24,-0.9 2,-0.6 -0.698 3.1-162.8 -80.2 101.8 2.7 -5.7 -6.4 45 45 A K E -ac 4 70A 38 -42,-3.0 -40,-2.9 -2,-1.1 2,-0.4 -0.803 8.0-158.7 -81.2 123.6 5.0 -8.5 -5.3 46 46 A V E +ac 5 71A 0 24,-2.4 26,-2.7 -2,-0.6 27,-0.5 -0.888 18.8 162.1-107.5 137.0 4.9 -11.2 -8.0 47 47 A Y E +a 6 0A 0 -42,-1.7 -40,-2.8 -2,-0.4 -39,-0.5 -0.936 9.0 168.0-144.8 163.8 5.9 -14.8 -7.4 48 48 A C E - c 0 74A 7 25,-1.1 27,-2.5 -2,-0.3 -42,-0.0 -0.675 58.9 -59.4-147.8-151.7 5.4 -18.3 -8.9 49 49 A N S S- 0 0 66 25,-0.3 27,-0.9 -2,-0.2 25,-0.2 0.952 124.7 -6.2 -65.4 -46.1 6.9 -21.8 -8.5 50 50 A A S S- 0 0 69 24,-0.2 24,-0.4 23,-0.2 -1,-0.1 0.590 99.3 -95.0-136.7 -18.0 10.5 -20.8 -9.4 51 51 A G S > S+ 0 0 15 22,-0.4 4,-2.2 26,-0.0 22,-0.2 -0.012 95.4 96.8 128.1 -26.6 10.8 -17.2 -10.5 52 52 A R H > S+ 0 0 211 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.901 90.3 40.2 -69.6 -39.6 10.7 -17.3 -14.3 53 53 A Q H > S+ 0 0 62 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.866 117.3 49.9 -78.6 -34.6 7.0 -16.5 -14.8 54 54 A S H > S+ 0 0 0 2,-0.2 4,-2.4 19,-0.2 -2,-0.2 0.791 106.6 56.8 -69.1 -29.8 7.1 -13.9 -12.0 55 55 A G H X S+ 0 0 28 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.973 111.0 43.0 -63.8 -49.0 10.2 -12.4 -13.7 56 56 A Q H X S+ 0 0 111 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.892 111.8 55.1 -59.8 -43.3 8.1 -12.0 -16.8 57 57 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.886 103.3 54.9 -60.5 -39.1 5.2 -10.7 -14.7 58 58 A K H X S+ 0 0 76 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.934 112.2 43.4 -58.1 -46.3 7.4 -8.0 -13.2 59 59 A E H X S+ 0 0 123 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.937 112.8 51.9 -66.4 -45.5 8.3 -6.7 -16.7 60 60 A I H X S+ 0 0 40 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.901 113.1 44.5 -56.8 -47.5 4.7 -7.0 -17.9 61 61 A L H <>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 -1,-0.2 0.868 110.2 53.9 -72.3 -35.3 3.4 -5.0 -15.0 62 62 A S H ><5S+ 0 0 57 -4,-2.4 3,-1.4 -5,-0.2 -1,-0.2 0.912 109.5 50.3 -59.6 -39.8 6.2 -2.4 -15.3 63 63 A E H 3<5S+ 0 0 178 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.873 102.8 58.3 -66.0 -36.9 5.0 -2.1 -19.0 64 64 A M T 3<5S- 0 0 52 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.477 125.8-107.9 -68.7 -3.0 1.4 -1.7 -17.8 65 65 A G T < 5 + 0 0 37 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.692 61.9 159.7 84.4 18.3 2.9 1.3 -15.9 66 66 A Y < - 0 0 8 -5,-2.4 3,-0.4 1,-0.1 -1,-0.3 -0.677 27.2-158.4 -66.7 125.9 2.7 -0.1 -12.3 67 67 A T S S+ 0 0 95 -27,-1.6 -26,-0.2 -2,-0.4 -1,-0.1 0.549 79.8 42.9 -91.6 -8.9 5.3 2.1 -10.6 68 68 A H S S+ 0 0 92 -28,-0.9 -24,-0.9 -26,-0.4 2,-0.3 -0.416 71.9 150.8-137.2 48.1 6.1 -0.2 -7.6 69 69 A V E -c 44 0A 16 -3,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.693 20.2-173.1 -79.7 146.9 6.4 -3.7 -9.0 70 70 A E E -c 45 0A 103 -26,-2.3 -24,-2.4 -2,-0.3 2,-0.6 -0.998 20.7-136.6-136.5 139.1 8.8 -6.2 -7.1 71 71 A N E -c 46 0A 61 -2,-0.4 -24,-0.2 -26,-0.2 3,-0.1 -0.875 17.1-176.6 -89.8 124.7 9.8 -9.7 -8.1 72 72 A A E - 0 0 24 -26,-2.7 2,-0.4 -2,-0.6 -25,-0.2 0.282 32.7-134.7-103.7 4.1 9.7 -12.0 -5.1 73 73 A G E - 0 0 14 -27,-0.5 -25,-1.1 -22,-0.2 -22,-0.4 -0.630 46.9 -35.6 86.3-132.1 11.1 -15.1 -7.0 74 74 A G E >> -c 48 0A 3 -24,-0.4 3,-2.3 -2,-0.4 4,-2.1 -0.927 57.8 -98.2-137.0 161.6 9.4 -18.4 -6.4 75 75 A L T 34 S+ 0 0 7 -27,-2.5 5,-0.2 -2,-0.3 -25,-0.1 0.648 116.5 56.0 -55.3 -26.7 7.7 -20.2 -3.5 76 76 A K T 34 S+ 0 0 166 -27,-0.9 -1,-0.3 1,-0.1 -26,-0.1 0.687 112.8 39.4 -76.0 -29.7 10.7 -22.3 -2.6 77 77 A D T <4 S+ 0 0 136 -3,-2.3 2,-0.4 -5,-0.1 -2,-0.2 0.699 95.5 92.1 -96.6 -28.3 13.1 -19.4 -2.1 78 78 A I < - 0 0 12 -4,-2.1 2,-0.1 1,-0.1 -5,-0.0 -0.528 60.7-165.1 -65.5 124.5 10.4 -17.2 -0.5 79 79 A A + 0 0 103 -2,-0.4 -1,-0.1 -61,-0.0 -3,-0.1 -0.335 44.8 121.9-112.2 44.3 10.8 -17.9 3.3 80 80 A M S S- 0 0 81 -5,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.700 75.6 -77.1 -97.0 159.0 7.5 -16.4 4.3 81 81 A P - 0 0 78 0, 0.0 -62,-2.4 0, 0.0 2,-0.3 -0.191 56.1-152.6 -53.8 150.3 4.7 -18.3 6.2 82 82 A K E -D 18 0B 66 -64,-0.3 2,-0.3 -3,-0.1 -64,-0.2 -0.799 18.2-151.7-130.0 162.4 2.7 -20.6 4.0 83 83 A V E -D 17 0B 60 -66,-2.5 -66,-2.4 -2,-0.3 2,-0.3 -0.915 24.0-156.5-129.9 152.6 -0.7 -22.2 3.7 84 84 A K E D 16 0B 135 -2,-0.3 -68,-0.3 -68,-0.2 -69,-0.2 -0.909 360.0 360.0-139.9 164.5 -1.2 -25.5 1.9 85 85 A G 0 0 114 -70,-1.4 -70,-0.1 -2,-0.3 -71,-0.1 -0.289 360.0 360.0 -64.1 360.0 -3.7 -27.6 0.2