==== 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 2JTS . 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) . 5213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 20.0 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 . 1 1.2 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 . 5 5.9 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 . 21 24.7 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 0 0 1 0 1 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 0 1 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 0 106 0, 0.0 42,-1.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-174.3 -0.2 0.2 -2.2 2 2 A E E -a 43 0A 96 40,-0.1 2,-0.3 2,-0.0 42,-0.2 -0.988 360.0-156.3-144.4 158.4 0.7 2.5 -5.1 3 3 A H E -a 44 0A 73 40,-2.2 42,-3.0 -2,-0.3 2,-0.4 -0.961 13.0-148.3-132.5 150.2 0.2 3.0 -8.7 4 4 A W E -ab 45 21A 34 16,-0.5 18,-0.8 -2,-0.3 2,-0.4 -0.922 10.8-168.6-124.0 142.7 2.4 4.7 -11.1 5 5 A I E -ab 46 22A 0 40,-2.2 42,-1.6 -2,-0.4 2,-0.6 -0.995 19.5-146.2-140.0 123.9 1.3 6.6 -14.1 6 6 A D E -ab 47 23A 0 16,-2.3 18,-3.2 -2,-0.4 42,-0.2 -0.862 19.6-174.9 -79.9 121.7 3.3 8.0 -17.1 7 7 A V + 0 0 0 40,-2.1 19,-2.2 -2,-0.6 2,-0.2 0.053 51.2 83.6-112.3 21.3 1.4 11.2 -17.9 8 8 A R S S- 0 0 74 17,-0.2 16,-0.1 39,-0.2 -2,-0.1 -0.442 93.4 -62.9-106.3-175.5 3.3 12.3 -21.1 9 9 A V >> - 0 0 67 -2,-0.2 3,-1.4 1,-0.1 4,-0.7 -0.414 51.6-109.5 -60.1 151.7 3.0 11.3 -24.7 10 10 A P H 3> S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.622 105.5 88.7 -57.8 -17.1 3.8 7.6 -25.5 11 11 A E H 3> S+ 0 0 141 1,-0.2 4,-0.7 2,-0.2 5,-0.1 0.849 91.1 41.0 -54.1 -39.9 7.0 8.8 -27.2 12 12 A Q H X> S+ 0 0 5 -3,-1.4 4,-2.4 2,-0.2 3,-1.3 0.948 111.1 58.1 -71.4 -41.7 8.9 8.6 -23.9 13 13 A Y H 3< S+ 0 0 42 -4,-0.7 72,-0.5 1,-0.3 -2,-0.2 0.813 99.3 59.9 -57.5 -37.4 7.2 5.3 -23.0 14 14 A Q H 3< S+ 0 0 120 -4,-2.4 71,-0.8 70,-0.2 -1,-0.3 0.826 112.8 36.0 -60.0 -39.1 8.5 3.7 -26.2 15 15 A Q H << S- 0 0 127 -3,-1.3 2,-0.3 -4,-0.7 -2,-0.2 0.942 137.3 -26.7 -87.9 -44.7 12.1 4.3 -25.3 16 16 A E < - 0 0 88 -4,-2.4 -1,-0.3 68,-0.2 2,-0.3 -0.946 56.7-178.8-162.9 150.1 11.7 3.6 -21.6 17 17 A H E -D 83 0B 19 66,-2.8 66,-2.4 -2,-0.3 2,-0.1 -0.981 45.4 -86.6-140.0 152.8 9.1 3.9 -18.8 18 18 A V E > -D 82 0B 0 -2,-0.3 3,-2.3 64,-0.2 2,-0.5 -0.417 56.8-104.0 -54.2 128.2 9.2 3.2 -15.1 19 19 A Q T 3 S+ 0 0 104 62,-2.5 -1,-0.1 1,-0.3 3,-0.1 -0.468 109.2 23.5 -62.3 113.3 8.5 -0.5 -14.7 20 20 A G T 3 S+ 0 0 50 1,-0.5 -16,-0.5 -2,-0.5 -1,-0.3 0.203 94.9 119.4 112.5 -13.3 4.8 -0.7 -13.6 21 21 A A E < -b 4 0A 5 -3,-2.3 -1,-0.5 -18,-0.1 2,-0.3 -0.426 50.6-147.8 -73.3 164.0 3.7 2.6 -14.9 22 22 A I E -b 5 0A 70 -18,-0.8 -16,-2.3 -2,-0.1 2,-0.6 -0.972 23.3-112.2-130.6 138.3 0.9 2.9 -17.5 23 23 A N E +b 6 0A 44 -2,-0.3 -16,-0.2 -18,-0.2 -14,-0.1 -0.677 47.7 154.7 -76.1 115.7 0.8 5.6 -20.2 24 24 A I - 0 0 14 -18,-3.2 5,-0.2 -2,-0.6 -15,-0.1 -0.746 38.4-137.7-140.4 82.8 -2.2 8.0 -19.4 25 25 A P >> - 0 0 19 0, 0.0 3,-2.7 0, 0.0 4,-1.6 0.003 20.0-108.8 -52.4 153.5 -1.3 11.4 -21.0 26 26 A L T 34 S+ 0 0 30 -19,-2.2 4,-0.5 1,-0.3 -18,-0.1 0.786 116.3 60.8 -49.4 -36.9 -1.9 14.7 -19.2 27 27 A K T 34 S+ 0 0 191 1,-0.2 -1,-0.3 2,-0.1 -19,-0.0 0.603 118.6 25.9 -67.0 -15.4 -4.7 15.5 -21.7 28 28 A E T X> S+ 0 0 93 -3,-2.7 4,-2.4 -21,-0.1 3,-1.9 0.441 90.1 97.7-130.8 -13.6 -6.7 12.5 -20.7 29 29 A V H 3X S+ 0 0 1 -4,-1.6 4,-2.1 1,-0.3 5,-0.2 0.833 75.4 69.9 -53.6 -34.1 -5.6 11.7 -17.1 30 30 A K H 34 S+ 0 0 118 -4,-0.5 -1,-0.3 1,-0.2 4,-0.1 0.757 114.5 23.0 -56.8 -31.4 -8.7 13.5 -15.8 31 31 A E H X4 S+ 0 0 166 -3,-1.9 3,-0.9 2,-0.1 4,-0.4 0.743 120.6 55.3-105.2 -36.0 -11.0 10.8 -17.0 32 32 A R H >X S+ 0 0 101 -4,-2.4 4,-2.0 1,-0.3 3,-0.7 0.682 88.0 76.3 -81.2 -17.3 -8.8 7.8 -17.3 33 33 A I H 3X S+ 0 0 1 -4,-2.1 4,-3.1 -5,-0.3 -1,-0.3 0.875 88.6 62.3 -56.0 -34.4 -7.6 7.9 -13.7 34 34 A A H <4 S+ 0 0 59 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.809 110.5 37.5 -64.5 -32.0 -11.0 6.5 -12.7 35 35 A T H <4 S+ 0 0 122 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.752 119.7 47.9 -87.6 -28.6 -10.3 3.3 -14.7 36 36 A A H < S+ 0 0 19 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.869 132.3 12.7 -77.5 -40.1 -6.6 3.1 -13.8 37 37 A V < + 0 0 3 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.1 -0.781 66.4 179.6-142.7 82.6 -7.1 3.7 -10.0 38 38 A P S S+ 0 0 114 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.748 75.1 63.3 -63.4 -25.4 -10.8 3.3 -9.0 39 39 A D > - 0 0 97 1,-0.1 3,-1.9 2,-0.0 27,-0.0 -0.870 69.4-166.8-101.4 100.7 -10.0 4.0 -5.4 40 40 A K T 3 S+ 0 0 88 -2,-0.8 27,-1.6 1,-0.3 28,-0.8 0.509 82.5 70.3 -69.3 -6.9 -8.7 7.5 -5.2 41 41 A N T 3 S+ 0 0 94 25,-0.2 -1,-0.3 26,-0.2 3,-0.1 0.661 79.5 98.3 -76.3 -18.4 -7.4 7.0 -1.7 42 42 A D S < S- 0 0 27 -3,-1.9 26,-0.4 1,-0.1 2,-0.3 -0.321 91.9 -95.8 -66.8 150.7 -4.8 4.7 -3.1 43 43 A T E -a 2 0A 40 -42,-1.0 -40,-2.2 24,-0.1 2,-0.5 -0.530 41.6-169.4 -72.1 131.7 -1.3 6.2 -3.6 44 44 A V E -ac 3 69A 0 24,-2.6 26,-2.3 -2,-0.3 2,-0.5 -0.984 5.1-165.4-124.9 124.4 -0.8 7.5 -7.2 45 45 A K E -ac 4 70A 53 -42,-3.0 -40,-2.2 -2,-0.5 2,-0.4 -0.959 9.1-167.7-110.3 121.0 2.7 8.6 -8.3 46 46 A V E +ac 5 71A 0 24,-2.6 26,-2.2 -2,-0.5 27,-0.7 -0.856 12.6 163.8-107.0 147.0 2.8 10.5 -11.5 47 47 A Y E +ac 6 73A 2 -42,-1.6 -40,-2.1 -2,-0.4 2,-0.3 -0.953 8.3 178.6-150.5 163.9 5.9 11.3 -13.5 48 48 A C E > - c 0 74A 0 25,-0.8 27,-2.2 -2,-0.3 3,-0.6 -0.918 51.2 -76.1-154.4-176.3 6.8 12.5 -17.0 49 49 A N T 3 S+ 0 0 67 -2,-0.3 27,-0.4 25,-0.2 25,-0.1 0.800 127.5 21.3 -60.1 -30.7 9.9 13.4 -19.1 50 50 A A T 3 S- 0 0 69 24,-0.1 2,-0.3 23,-0.1 -1,-0.2 0.326 96.6-121.9-126.1 1.0 10.5 16.8 -17.4 51 51 A G S <> S+ 0 0 12 -3,-0.6 4,-1.6 22,-0.3 22,-0.1 0.068 95.2 88.2 82.1 -26.6 8.6 16.6 -14.0 52 52 A R H > S+ 0 0 151 -2,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.921 83.7 48.5 -70.0 -48.2 6.5 19.6 -14.9 53 53 A Q H > S+ 0 0 55 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.828 110.5 52.3 -71.9 -29.7 3.6 17.8 -16.7 54 54 A S H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.870 105.9 55.8 -67.6 -35.5 3.4 15.3 -13.8 55 55 A G H X S+ 0 0 22 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.952 109.8 45.9 -54.9 -47.3 3.1 18.4 -11.6 56 56 A Q H X S+ 0 0 76 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.917 111.2 51.1 -63.7 -46.0 0.2 19.5 -13.8 57 57 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.888 106.3 56.1 -59.1 -37.9 -1.4 16.0 -13.7 58 58 A K H X S+ 0 0 69 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.902 108.4 47.4 -61.4 -41.4 -1.0 16.1 -9.9 59 59 A E H X S+ 0 0 136 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.927 111.0 51.2 -65.9 -42.0 -3.1 19.4 -9.8 60 60 A I H X S+ 0 0 42 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.917 113.1 45.4 -57.3 -48.8 -5.7 17.9 -12.1 61 61 A L H >X>S+ 0 0 0 -4,-2.8 5,-1.0 2,-0.2 4,-0.8 0.982 108.4 55.9 -64.7 -48.0 -6.0 14.8 -9.8 62 62 A S H ><5S+ 0 0 45 -4,-3.1 3,-1.1 1,-0.3 -2,-0.2 0.864 108.1 49.8 -52.9 -36.3 -6.1 17.1 -6.7 63 63 A E H 3<5S+ 0 0 174 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.870 103.8 58.3 -66.6 -37.9 -9.1 18.8 -8.3 64 64 A M H <<5S- 0 0 65 -4,-1.8 -1,-0.3 -3,-0.8 -2,-0.2 0.499 126.2-104.6 -68.0 -6.6 -10.7 15.4 -8.9 65 65 A G T <<5 + 0 0 41 -3,-1.1 2,-0.2 -4,-0.8 -3,-0.2 0.819 59.3 166.6 91.3 28.9 -10.4 14.9 -5.1 66 66 A Y < - 0 0 23 -5,-1.0 -1,-0.2 1,-0.1 -25,-0.2 -0.565 24.3-162.0 -68.2 151.5 -7.5 12.5 -4.7 67 67 A T S S+ 0 0 89 -27,-1.6 -26,-0.2 -2,-0.2 -1,-0.1 0.744 80.1 30.1-107.6 -24.4 -6.1 12.0 -1.4 68 68 A H S S+ 0 0 96 -28,-0.8 -24,-2.6 -26,-0.4 2,-0.4 -0.346 74.6 137.0-138.8 47.4 -2.6 10.5 -2.1 69 69 A V E -c 44 0A 19 -26,-0.2 2,-0.4 -3,-0.2 -24,-0.2 -0.809 26.2-179.1 -90.3 148.5 -1.3 11.7 -5.4 70 70 A E E -c 45 0A 111 -26,-2.3 -24,-2.6 -2,-0.4 2,-0.9 -0.999 31.6-130.2-147.0 134.5 2.3 12.7 -5.6 71 71 A N E -c 46 0A 53 -2,-0.4 -24,-0.2 -26,-0.2 3,-0.1 -0.824 20.6-166.3 -78.1 110.6 4.5 14.1 -8.4 72 72 A A E - 0 0 36 -26,-2.2 2,-0.3 -2,-0.9 -25,-0.2 0.755 42.8-109.4 -65.5 -31.6 7.5 11.7 -8.2 73 73 A G E -c 47 0A 15 -27,-0.7 -25,-0.8 -22,-0.1 -22,-0.3 -0.970 56.0 -31.6 136.8-147.5 9.6 14.1 -10.4 74 74 A G E >> -c 48 0A 12 -2,-0.3 3,-2.7 -24,-0.2 4,-1.8 -0.695 65.5 -97.2-100.5 165.6 10.7 13.5 -13.9 75 75 A L T 34 S+ 0 0 10 -27,-2.2 -26,-0.1 1,-0.3 -25,-0.1 0.796 125.0 55.9 -50.1 -32.8 11.6 10.2 -15.6 76 76 A K T 34 S+ 0 0 174 -27,-0.4 -1,-0.3 -28,-0.2 -27,-0.1 0.680 105.8 49.2 -69.2 -28.4 15.2 10.9 -14.8 77 77 A D T <4 S+ 0 0 114 -3,-2.7 -2,-0.2 2,-0.0 -1,-0.2 0.863 86.2 93.1 -86.3 -40.4 14.7 11.4 -11.2 78 78 A I < - 0 0 17 -4,-1.8 -5,-0.1 1,-0.2 -31,-0.0 -0.306 59.8-161.8 -60.9 126.3 12.7 8.2 -10.6 79 79 A A + 0 0 104 -2,-0.1 -1,-0.2 -61,-0.0 3,-0.1 -0.188 49.9 114.5-106.9 34.2 15.2 5.6 -9.5 80 80 A M S S- 0 0 69 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.666 79.3 -80.3 -91.2 161.5 13.1 2.6 -10.2 81 81 A P - 0 0 88 0, 0.0 -62,-2.5 0, 0.0 2,-0.3 -0.202 49.5-153.1 -51.2 150.9 13.8 -0.1 -12.8 82 82 A K E -D 18 0B 74 -64,-0.3 2,-0.3 -3,-0.1 -64,-0.2 -0.945 12.4-171.5-133.8 153.3 12.7 0.9 -16.4 83 83 A V E -D 17 0B 71 -66,-2.4 -66,-2.8 -2,-0.3 2,-0.2 -0.923 24.8-109.7-138.6 157.6 11.7 -1.1 -19.4 84 84 A K 0 0 150 -2,-0.3 -70,-0.2 -68,-0.3 -69,-0.2 -0.521 360.0 360.0 -84.7 162.7 11.0 -0.1 -23.0 85 85 A G 0 0 86 -71,-0.8 -1,-0.1 -72,-0.5 -71,-0.1 -0.363 360.0 360.0 -60.8 360.0 7.7 -0.1 -24.8