==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 05-MAY-93 2PAC . COMPND 2 MOLECULE: CYTOCHROME C551; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.J.DETLEFSEN,V.THANABAL,V.L.PECORARO,G.WAGNER . 82 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 35 42.7 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 . 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 . 1 1.2 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 . 1 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 25.6 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 2 1 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 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 . 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 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 E 0 0 212 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.4 12.1 -4.9 3.7 2 2 A D > - 0 0 78 1,-0.1 4,-1.3 0, 0.0 3,-0.2 -0.957 360.0-140.6-129.0 145.9 9.0 -5.7 1.7 3 3 A P H > S+ 0 0 36 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.627 104.8 60.2 -77.4 -14.7 5.9 -3.6 0.9 4 4 A E H 4 S+ 0 0 98 2,-0.2 4,-0.5 1,-0.2 14,-0.0 0.773 108.2 43.6 -80.8 -28.2 3.8 -6.7 1.2 5 5 A V H 4 S+ 0 0 77 -3,-0.2 -1,-0.2 2,-0.2 4,-0.0 0.769 117.4 46.1 -83.6 -29.2 4.9 -7.1 4.8 6 6 A L H >X S+ 0 0 43 -4,-1.3 3,-0.6 2,-0.2 4,-0.5 0.760 105.5 60.6 -81.9 -27.7 4.5 -3.4 5.3 7 7 A F T 3<>S+ 0 0 5 -4,-1.4 5,-1.0 1,-0.2 6,-0.9 0.745 112.3 39.0 -69.6 -23.5 1.1 -3.5 3.6 8 8 A K T 345S+ 0 0 148 -4,-0.5 -1,-0.2 4,-0.2 -2,-0.2 0.364 104.0 70.3-105.0 0.4 0.0 -5.9 6.3 9 9 A N T <45S+ 0 0 97 -3,-0.6 -2,-0.2 -4,-0.0 -1,-0.1 0.521 108.5 30.3 -94.4 -8.8 1.8 -4.1 9.2 10 10 A K T <5S- 0 0 137 -4,-0.5 -3,-0.1 -3,-0.1 -2,-0.1 0.646 117.4 -77.1-109.4 -91.8 -0.5 -1.1 9.2 11 11 A G T > 5S+ 0 0 44 -4,-0.3 3,-0.6 2,-0.0 4,-0.2 0.155 86.2 117.1-169.8 26.8 -4.1 -1.7 8.1 12 12 A C G >> - 0 0 0 1,-0.2 4,-2.1 -2,-0.2 -8,-0.2 -0.542 24.2-142.5 -68.0 126.4 -7.1 -5.2 -4.9 27 27 A Y H > S+ 0 0 8 -10,-1.8 4,-1.3 -2,-0.3 -9,-0.2 0.897 104.9 49.2 -58.3 -41.5 -3.4 -4.4 -5.0 28 28 A K H > S+ 0 0 94 -11,-0.3 4,-1.1 1,-0.2 -1,-0.3 0.816 108.8 53.5 -67.0 -30.1 -3.0 -7.2 -7.6 29 29 A D H 4 S+ 0 0 64 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.824 102.1 57.5 -71.9 -32.6 -5.9 -5.7 -9.5 30 30 A V H >X>S+ 0 0 12 -4,-2.1 4,-1.4 1,-0.3 3,-1.0 0.856 106.7 49.9 -64.0 -33.5 -4.1 -2.3 -9.5 31 31 A A H 3<5S+ 0 0 18 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.803 108.9 51.8 -72.3 -30.8 -1.4 -4.3 -11.2 32 32 A A T 3<5S+ 0 0 72 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.221 120.1 35.4 -90.8 14.2 -4.0 -5.6 -13.6 33 33 A K T <45S+ 0 0 139 -3,-1.0 -2,-0.2 -5,-0.1 -3,-0.2 0.545 123.7 29.3-124.5 -78.8 -5.2 -2.1 -14.3 34 34 A F T <5S+ 0 0 84 -4,-1.4 -3,-0.2 -5,-0.1 -2,-0.1 0.967 77.8 159.4 -49.2 -65.6 -2.5 0.6 -14.3 35 35 A A S S+ 0 0 66 1,-0.1 4,-0.7 34,-0.1 34,-0.1 -0.113 82.3 60.9 85.0 -35.6 3.5 8.2 -7.3 42 42 A A H > S+ 0 0 72 -2,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.881 112.1 34.3 -86.8 -45.0 3.3 11.5 -5.4 43 43 A E H 4 S+ 0 0 125 2,-0.2 4,-0.3 1,-0.2 -1,-0.1 0.523 116.1 58.6 -87.1 -4.8 -0.4 11.9 -5.9 44 44 A L H > S+ 0 0 26 2,-0.2 4,-0.8 1,-0.1 -1,-0.2 0.809 110.0 42.0 -88.0 -33.9 -0.9 8.2 -5.7 45 45 A A H < S+ 0 0 3 -4,-0.7 4,-0.2 1,-0.2 -2,-0.2 0.725 107.7 63.3 -78.9 -24.3 0.7 8.3 -2.2 46 46 A Q T < S+ 0 0 73 -4,-0.8 4,-0.3 1,-0.2 3,-0.3 0.734 98.1 55.5 -71.4 -21.8 -1.4 11.3 -1.7 47 47 A R T > S+ 0 0 65 -4,-0.3 4,-2.1 2,-0.2 3,-0.5 0.849 101.5 56.2 -76.4 -35.4 -4.4 9.1 -2.1 48 48 A I T < S+ 0 0 42 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.559 121.2 30.9 -70.8 -8.4 -3.1 6.9 0.7 49 49 A K T 4 S+ 0 0 65 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.306 132.7 30.6-129.8 3.1 -3.1 10.0 2.8 50 50 A N T 4 S- 0 0 104 -3,-0.5 -3,-0.2 -4,-0.3 -2,-0.2 0.265 110.4-102.6-145.0 7.5 -6.0 11.9 1.3 51 51 A G < - 0 0 4 -4,-2.1 -2,-0.1 11,-0.2 -3,-0.1 0.260 39.6 -82.9 80.3 152.0 -8.4 9.3 0.1 52 52 A S - 0 0 48 7,-0.1 -8,-0.0 1,-0.1 0, 0.0 0.141 29.1-123.9 -72.8-165.6 -9.0 8.1 -3.5 53 53 A Q - 0 0 155 6,-0.1 -1,-0.1 7,-0.0 -2,-0.0 0.642 59.3 -85.3-114.4 -31.0 -11.2 9.7 -6.0 54 54 A G + 0 0 39 5,-0.1 0, 0.0 0, 0.0 0, 0.0 0.496 68.9 139.4 118.5 97.1 -13.5 6.8 -6.9 55 55 A V S S+ 0 0 117 2,-0.4 0, 0.0 0, 0.0 0, 0.0 0.592 90.0 10.3-128.2 -43.3 -12.6 4.2 -9.5 56 56 A W S S+ 0 0 79 1,-0.4 -32,-0.1 -33,-0.1 -35,-0.0 0.656 136.5 26.3-110.4 -30.9 -13.7 0.9 -8.1 57 57 A G - 0 0 23 -34,-0.0 -2,-0.4 2,-0.0 -1,-0.4 -0.995 63.4-139.2-138.9 143.6 -15.7 2.2 -5.2 58 58 A P S S+ 0 0 130 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.208 85.3 88.7 -83.1 15.1 -17.5 5.5 -4.4 59 59 A I S S- 0 0 110 -36,-0.2 -7,-0.1 3,-0.0 -5,-0.1 -0.862 75.4-142.3-119.0 95.8 -16.2 5.4 -0.9 60 60 A P - 0 0 74 0, 0.0 -9,-0.1 0, 0.0 -7,-0.0 -0.135 29.6-100.3 -52.9 148.5 -12.8 7.1 -0.6 61 61 A M - 0 0 44 1,-0.1 -37,-0.0 -14,-0.1 -11,-0.0 -0.515 50.4 -80.0 -78.0 140.2 -10.3 5.5 1.7 62 62 A P - 0 0 106 0, 0.0 -11,-0.2 0, 0.0 -1,-0.1 -0.132 54.3-133.9 -41.3 109.5 -9.8 6.9 5.2 63 63 A P + 0 0 61 0, 0.0 -13,-0.2 0, 0.0 -14,-0.1 -0.285 69.1 34.5 -68.2 154.5 -7.5 9.9 4.6 64 64 A N + 0 0 108 -15,-0.2 3,-0.1 3,-0.1 -15,-0.1 0.557 51.3 139.8 72.3 134.9 -4.5 10.4 6.9 65 65 A A S S- 0 0 72 1,-0.6 2,-0.2 2,-0.1 -16,-0.1 0.157 71.8 -7.2-170.3 -42.5 -2.6 7.5 8.4 66 66 A V S S- 0 0 56 1,-0.2 -1,-0.6 -18,-0.2 0, 0.0 -0.448 79.4 -85.2-141.0-146.7 1.1 8.3 8.3 67 67 A S - 0 0 83 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.765 65.0 -78.8 -98.8 -92.4 3.3 11.1 6.9 68 68 A D S S+ 0 0 74 -20,-0.0 -23,-0.1 3,-0.0 -22,-0.0 0.070 113.5 60.4-172.3 34.5 4.4 10.6 3.3 69 69 A D S > S+ 0 0 89 3,-0.1 4,-1.4 -24,-0.1 5,-0.1 0.547 98.4 48.7-130.8 -56.9 7.3 8.1 3.4 70 70 A E H > S+ 0 0 108 1,-0.2 4,-1.0 2,-0.2 5,-0.0 0.755 119.7 45.6 -60.4 -23.4 5.9 4.9 4.8 71 71 A A H > S+ 0 0 4 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.864 100.8 64.3 -85.0 -42.1 3.1 5.4 2.3 72 72 A Q H > S+ 0 0 97 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.789 103.8 51.5 -50.8 -30.2 5.4 6.3 -0.6 73 73 A T H >X S+ 0 0 59 -4,-1.4 3,-1.0 1,-0.2 4,-1.0 0.945 112.1 41.7 -72.8 -51.2 6.7 2.7 -0.2 74 74 A L H 3X S+ 0 0 13 -4,-1.0 4,-0.8 1,-0.2 -2,-0.2 0.475 108.6 66.1 -74.2 -2.5 3.3 1.1 -0.4 75 75 A A H 3X S+ 0 0 0 -4,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.688 103.4 42.2 -90.3 -23.4 2.5 3.6 -3.1 76 76 A K H < S+ 0 0 13 -4,-0.8 3,-0.9 1,-0.2 -2,-0.2 0.992 116.5 40.0 -59.8 -63.1 0.6 -0.8 -5.9 79 79 A L H 3< S+ 0 0 22 -4,-1.0 -43,-0.4 1,-0.3 -42,-0.3 0.747 122.8 46.6 -56.1 -26.5 1.9 0.6 -9.2 80 80 A S T 3< S+ 0 0 67 -4,-1.3 2,-0.3 -45,-0.1 -1,-0.3 -0.507 82.4 136.4-118.6 62.0 4.5 -2.1 -9.1 81 81 A Q < 0 0 20 -3,-0.9 -3,-0.1 -2,-0.2 -46,-0.1 -0.777 360.0 360.0-107.4 152.2 2.6 -5.2 -8.3 82 82 A K 0 0 226 -2,-0.3 -1,-0.1 -50,-0.0 -51,-0.1 -0.515 360.0 360.0-179.3 360.0 3.0 -8.6 -9.9