==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUL-11 3ZUA . COMPND 2 MOLECULE: ALPHA-HEMOLYSIN TRANSLOCATION ATP-BINDING PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.LECHER,C.K.W.SCHWARZ,M.STOLDT,S.S.H.SMITS,D.WILLBOLD,L.SCH . 142 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 20.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 1 0.7 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 . 18 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.8 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 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 0 1 0 0 2 1 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 -4 A G 0 0 64 0, 0.0 8,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-170.0 25.0 -14.7 -0.4 2 -3 A A + 0 0 95 4,-0.1 6,-0.0 6,-0.1 0, 0.0 -0.436 360.0 103.9-163.5 79.1 28.3 -13.3 0.9 3 -2 A M S S- 0 0 144 -2,-0.0 -1,-0.0 0, 0.0 0, 0.0 0.035 99.1 -84.4-148.9 27.8 31.3 -13.2 -1.5 4 -1 A A S S+ 0 0 82 -3,-0.1 -2,-0.0 1,-0.0 0, 0.0 0.911 116.0 80.2 67.0 43.5 31.5 -9.5 -2.4 5 0 A N S S+ 0 0 125 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.471 109.6 0.5-142.4 -43.9 28.9 -9.8 -5.2 6 1 A S - 0 0 62 1,-0.1 2,-3.5 3,-0.0 -4,-0.1 0.631 66.6-176.7-122.4 -35.9 25.4 -9.7 -3.6 7 2 A D S S+ 0 0 119 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.307 75.5 16.5 67.8 -64.7 26.1 -9.3 0.2 8 3 A S S S- 0 0 98 -2,-3.5 2,-0.1 -3,-0.1 -6,-0.1 -0.976 85.9-113.6-144.2 126.7 22.4 -9.5 0.9 9 4 A C - 0 0 94 -2,-0.4 2,-3.2 1,-0.2 -3,-0.0 -0.350 34.1-116.6 -59.1 128.0 19.5 -10.7 -1.2 10 5 A H - 0 0 121 -2,-0.1 2,-0.4 1,-0.1 -1,-0.2 -0.344 35.5-158.1 -66.8 70.2 17.2 -7.8 -2.1 11 6 A K - 0 0 168 -2,-3.2 -1,-0.1 32,-0.1 34,-0.0 -0.353 21.1-119.8 -56.2 107.9 14.3 -9.4 -0.2 12 7 A I - 0 0 121 -2,-0.4 2,-0.5 1,-0.1 3,-0.1 -0.118 23.6-151.7 -50.3 144.7 11.2 -7.7 -1.8 13 8 A D > - 0 0 28 1,-0.1 4,-3.4 -3,-0.1 5,-0.2 -0.929 11.5-159.4-128.5 107.4 9.1 -5.8 0.6 14 9 A Y H > S+ 0 0 48 -2,-0.5 4,-3.7 1,-0.2 5,-0.2 0.860 96.1 56.4 -50.7 -37.9 5.4 -5.4 -0.2 15 10 A G H > S+ 0 0 0 2,-0.2 4,-2.2 71,-0.2 -1,-0.2 0.981 111.4 39.2 -59.3 -57.5 5.4 -2.4 2.1 16 11 A L H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.903 116.9 52.7 -58.0 -42.8 8.1 -0.6 0.2 17 12 A Y H X S+ 0 0 25 -4,-3.4 4,-3.3 1,-0.2 -1,-0.2 0.936 107.4 50.6 -58.2 -48.9 6.6 -1.8 -3.0 18 13 A A H X S+ 0 0 0 -4,-3.7 4,-3.1 1,-0.2 5,-0.2 0.879 109.0 52.9 -56.7 -38.5 3.2 -0.4 -2.0 19 14 A L H X S+ 0 0 0 -4,-2.2 4,-3.7 2,-0.2 -1,-0.2 0.923 110.3 47.4 -62.2 -45.0 5.0 2.8 -1.2 20 15 A E H X S+ 0 0 43 -4,-2.5 4,-3.9 2,-0.2 5,-0.3 0.950 113.5 47.0 -59.3 -51.9 6.5 2.8 -4.7 21 16 A I H X S+ 0 0 27 -4,-3.3 4,-2.3 2,-0.2 -2,-0.2 0.910 118.1 41.9 -57.1 -45.6 3.1 2.0 -6.3 22 17 A L H X S+ 0 0 0 -4,-3.1 4,-1.6 2,-0.2 -2,-0.2 0.892 116.2 49.1 -69.6 -40.1 1.4 4.7 -4.3 23 18 A A H <>S+ 0 0 0 -4,-3.7 5,-4.2 -5,-0.2 -2,-0.2 0.905 118.0 40.3 -65.1 -41.2 4.3 7.1 -4.8 24 19 A Q H <5S+ 0 0 123 -4,-3.9 3,-0.4 3,-0.3 -2,-0.2 0.797 109.1 61.2 -76.0 -30.0 4.2 6.3 -8.5 25 20 A Y H <5S+ 0 0 63 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.836 112.3 38.5 -64.0 -32.7 0.4 6.3 -8.4 26 21 A H T <5S- 0 0 6 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.445 116.7-116.2 -94.9 -4.3 0.7 9.9 -7.3 27 22 A N T 5 + 0 0 134 -3,-0.4 2,-0.4 1,-0.3 -3,-0.3 0.794 68.9 142.8 72.4 28.6 3.6 10.6 -9.7 28 23 A V < - 0 0 18 -5,-4.2 -1,-0.3 -6,-0.2 -2,-0.2 -0.861 56.0-102.7-106.4 136.7 5.8 11.2 -6.7 29 24 A S + 0 0 98 -2,-0.4 2,-0.2 29,-0.1 -1,-0.1 -0.021 39.9 177.3 -51.2 156.3 9.5 10.2 -6.6 30 25 A V - 0 0 29 -6,-0.0 3,-0.1 -7,-0.0 25,-0.1 -0.747 18.0-168.4-168.6 114.4 10.4 7.1 -4.6 31 26 A N >> - 0 0 60 -2,-0.2 4,-3.6 1,-0.2 3,-1.3 -0.780 4.0-168.9-110.3 87.3 13.8 5.5 -4.2 32 27 A P H 3> S+ 0 0 21 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.802 90.9 56.7 -41.5 -35.9 13.2 2.1 -2.5 33 28 A E H 3> S+ 0 0 147 2,-0.2 4,-1.1 1,-0.2 -2,-0.0 0.927 114.5 36.0 -63.9 -46.1 17.0 1.9 -2.1 34 29 A E H <> S+ 0 0 91 -3,-1.3 4,-1.9 2,-0.2 5,-0.3 0.863 114.9 57.3 -74.5 -38.1 17.0 5.2 -0.2 35 30 A I H >X>S+ 0 0 0 -4,-3.6 4,-4.1 1,-0.2 5,-1.0 0.956 111.3 41.5 -57.3 -51.9 13.7 4.4 1.5 36 31 A K H 3<5S+ 0 0 44 -4,-2.9 7,-0.3 3,-0.3 -1,-0.2 0.831 112.8 56.5 -64.0 -30.9 15.0 1.2 3.0 37 32 A H H 3<5S+ 0 0 154 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.780 120.0 29.7 -69.9 -28.7 18.2 3.2 3.7 38 33 A R H <<5S+ 0 0 135 -4,-1.9 -2,-0.2 -3,-0.5 -3,-0.2 0.759 142.3 12.6-100.7 -34.2 16.2 5.7 5.7 39 34 A F T <5S+ 0 0 21 -4,-4.1 8,-0.4 -5,-0.3 3,-0.4 0.702 126.4 50.4-117.3 -32.7 13.3 3.6 7.0 40 35 A D > < + 0 0 6 -5,-1.0 3,-2.9 1,-0.2 5,-0.2 -0.061 65.1 134.7 -98.6 32.8 14.2 -0.1 6.4 41 36 A T T 3 S+ 0 0 98 1,-0.3 -1,-0.2 -6,-0.2 -4,-0.1 0.757 71.1 58.8 -50.6 -25.3 17.6 0.5 8.0 42 37 A D T 3 S- 0 0 133 -3,-0.4 -1,-0.3 3,-0.2 -2,-0.1 0.718 102.7-137.7 -77.3 -22.3 16.8 -2.8 9.8 43 38 A G S < S+ 0 0 55 -3,-2.9 -2,-0.1 -7,-0.3 -32,-0.1 0.722 78.1 104.4 71.3 21.3 16.5 -4.6 6.5 44 39 A T S S- 0 0 119 1,-0.4 -3,-0.1 -31,-0.0 2,-0.1 0.179 93.6 -75.5-116.6 13.7 13.5 -6.4 7.7 45 40 A G - 0 0 17 -5,-0.2 -1,-0.4 -9,-0.1 2,-0.3 -0.087 61.7 -59.1 107.1 152.1 10.8 -4.4 5.9 46 41 A L - 0 0 7 -3,-0.1 -6,-0.1 -6,-0.1 -31,-0.1 -0.501 54.5-136.1 -70.0 126.4 9.3 -1.0 6.2 47 42 A G > - 0 0 28 -8,-0.4 4,-3.3 -2,-0.3 5,-0.3 -0.265 24.0-104.9 -75.6 168.6 7.6 -0.5 9.6 48 43 A L H > S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.961 124.0 33.1 -58.5 -53.0 4.2 1.1 9.9 49 44 A T H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.851 121.4 50.3 -71.3 -35.4 5.6 4.3 11.3 50 45 A S H > S+ 0 0 41 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.840 112.2 48.2 -71.3 -33.5 8.7 4.0 9.2 51 46 A W H X S+ 0 0 0 -4,-3.3 4,-1.6 2,-0.2 -2,-0.2 0.916 109.6 51.3 -71.5 -45.5 6.6 3.4 6.1 52 47 A L H X S+ 0 0 15 -4,-2.3 4,-1.7 -5,-0.3 3,-0.3 0.917 112.7 46.0 -57.3 -45.1 4.4 6.3 6.8 53 48 A L H X S+ 0 0 76 -4,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.766 104.5 64.5 -68.9 -25.7 7.4 8.5 7.2 54 49 A A H < S+ 0 0 0 -4,-1.0 4,-0.4 2,-0.2 -1,-0.2 0.875 106.0 42.1 -65.1 -38.6 8.8 7.0 4.0 55 50 A A H ><>S+ 0 0 0 -4,-1.6 5,-2.2 -3,-0.3 3,-0.7 0.867 112.8 53.4 -75.2 -38.1 5.9 8.5 2.0 56 51 A K H ><5S+ 0 0 95 -4,-1.7 3,-2.0 1,-0.3 -2,-0.2 0.887 102.9 57.3 -63.4 -40.1 6.2 11.8 3.8 57 52 A S T 3<5S+ 0 0 49 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.739 100.5 60.1 -62.9 -21.9 9.9 12.0 3.0 58 53 A L T < 5S- 0 0 12 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.201 122.6-107.4 -89.8 15.6 8.8 11.7 -0.6 59 54 A E T < 5S+ 0 0 116 -3,-2.0 74,-0.6 1,-0.3 2,-0.4 0.717 83.1 132.8 64.4 18.6 6.7 14.9 -0.3 60 55 A L E < -A 132 0A 3 -5,-2.2 2,-0.3 72,-0.1 -1,-0.3 -0.869 58.8-124.2-106.1 134.8 3.8 12.5 -0.4 61 56 A K E +A 131 0A 128 70,-2.7 70,-3.9 -2,-0.4 2,-0.3 -0.595 40.9 158.0 -80.3 133.0 0.9 12.8 2.1 62 57 A V E +A 130 0A 3 -2,-0.3 68,-0.2 68,-0.3 2,-0.2 -0.983 14.8 175.2-150.4 157.4 0.1 9.6 4.0 63 58 A K E -A 129 0A 107 66,-1.5 66,-2.6 -2,-0.3 2,-0.4 -0.773 22.6-138.7-170.5 120.6 -1.6 8.7 7.3 64 59 A Q E +A 128 0A 51 64,-0.3 2,-0.3 -2,-0.2 64,-0.3 -0.695 33.1 166.7 -84.7 129.1 -2.5 5.4 8.9 65 60 A V E -A 127 0A 49 62,-3.0 62,-2.7 -2,-0.4 2,-0.9 -0.993 41.1-110.6-144.2 148.9 -5.9 5.3 10.6 66 61 A K E +A 126 0A 137 -2,-0.3 2,-0.3 60,-0.2 60,-0.3 -0.697 50.8 162.9 -82.6 108.0 -8.2 2.6 12.0 67 62 A K - 0 0 68 58,-2.3 2,-0.3 -2,-0.9 -2,-0.0 -0.807 35.0-115.9-123.7 164.0 -11.2 2.4 9.6 68 63 A T >> - 0 0 70 -2,-0.3 3,-3.3 1,-0.1 4,-1.4 -0.749 28.3-114.4-100.7 148.9 -14.0 -0.0 8.9 69 64 A I H 3> S+ 0 0 18 -2,-0.3 4,-0.5 1,-0.3 3,-0.4 0.856 118.8 58.9 -45.5 -41.4 -14.5 -1.9 5.7 70 65 A D H 34 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.691 106.7 48.8 -64.2 -18.0 -17.7 -0.0 5.2 71 66 A R H X> S+ 0 0 144 -3,-3.3 3,-3.6 1,-0.2 4,-1.3 0.730 89.2 79.0 -92.3 -26.6 -15.7 3.2 5.3 72 67 A L H 3< S+ 0 0 0 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.736 85.9 64.6 -53.4 -22.7 -13.0 2.0 2.8 73 68 A N T 3< S+ 0 0 78 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.620 112.7 32.6 -76.0 -12.3 -15.6 2.9 0.2 74 69 A F T <4 S+ 0 0 154 -3,-3.6 -2,-0.2 2,-0.1 -1,-0.2 0.461 99.3 99.9-120.2 -8.3 -15.3 6.5 1.3 75 70 A I S < S- 0 0 22 -4,-1.3 2,-1.3 1,-0.1 4,-0.1 -0.178 94.1 -73.8 -74.3 173.2 -11.6 6.7 2.3 76 71 A S S S- 0 0 45 2,-0.1 54,-0.6 62,-0.0 62,-0.2 -0.543 70.3-124.9 -72.7 94.5 -8.9 8.1 0.1 77 72 A L S S+ 0 0 34 -2,-1.3 63,-0.2 60,-0.3 15,-0.2 -0.637 91.4 50.7 -89.8 147.6 -8.5 5.3 -2.5 78 73 A P S S+ 0 0 3 0, 0.0 52,-0.5 0, 0.0 2,-0.3 0.385 85.6 178.6 -74.8 136.2 -6.3 3.7 -3.5 79 74 A A E -B 91 0A 0 12,-2.2 12,-3.2 50,-0.1 2,-0.7 -0.731 27.8-126.6-105.8 155.2 -5.6 3.0 0.2 80 75 A L E -BC 90 128A 0 48,-3.0 48,-4.0 -2,-0.3 2,-1.3 -0.882 14.1-148.9-105.7 110.2 -2.9 0.7 1.7 81 76 A V E -B 89 0A 0 8,-2.3 8,-0.7 -2,-0.7 46,-0.2 -0.623 21.3-139.3 -79.0 95.5 -4.3 -1.9 4.1 82 77 A W - 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