==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 03-OCT-01 1K3G . COMPND 2 MOLECULE: CYTOCHROME C-553; . SOURCE 2 ORGANISM_SCIENTIFIC: SPOROSARCINA PASTEURII; . AUTHOR L.BANCI,I.BERTINI,S.CIURLI,A.DIKIY,J.DITTMER,A.ROSATO, . 71 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 69.0 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 . 2 2.8 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 . 1 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 . 2 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 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 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 22 A V 0 0 124 0, 0.0 2,-0.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 156.3 10.7 0.2 -8.5 2 23 A D > + 0 0 108 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.856 360.0 173.0 -96.6 89.3 7.7 0.0 -10.9 3 24 A A H > + 0 0 11 -2,-0.9 4,-2.7 1,-0.2 -1,-0.2 0.955 69.5 45.1 -68.3 -52.5 5.7 1.2 -7.9 4 25 A E H > S+ 0 0 107 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.916 111.1 53.7 -55.7 -48.1 2.4 1.8 -9.7 5 26 A A H 4 S+ 0 0 49 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.924 110.4 47.8 -56.9 -46.1 2.7 -1.6 -11.6 6 27 A V H >< S+ 0 0 19 -4,-2.3 3,-2.3 2,-0.2 4,-0.3 0.973 114.5 45.2 -55.9 -56.8 3.2 -3.4 -8.3 7 28 A V H >X>S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.3 5,-2.1 0.930 106.7 60.7 -51.9 -49.1 0.2 -1.6 -6.7 8 29 A Q T 3<5S+ 0 0 106 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.461 119.4 28.0 -57.3 -8.0 -1.8 -2.2 -9.9 9 30 A Q T <45S+ 0 0 151 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.136 134.1 28.6-137.4 17.6 -1.4 -6.0 -9.2 10 31 A K T <45S+ 0 0 92 -3,-2.1 -3,-0.2 -4,-0.3 4,-0.2 0.506 123.5 30.2-139.0 -59.4 -1.0 -6.1 -5.4 11 32 A C T >X5S+ 0 0 15 -4,-0.9 4,-3.0 -5,-0.3 3,-2.6 0.948 115.2 57.4 -79.5 -47.7 -2.8 -3.3 -3.5 12 33 A I H 3>< - 0 0 12 -4,-2.2 3,-2.2 -5,-0.4 5,-0.2 0.261 26.5 -82.3 88.0 148.3 -9.6 -1.5 -5.7 17 38 A G T 3 S+ 0 0 42 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.803 135.5 48.6 -41.8 -37.0 -8.1 -0.5 -9.1 18 39 A D T 3 S- 0 0 122 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.2 0.517 105.3-129.3 -89.9 -12.4 -8.8 3.1 -8.0 19 40 A L S < S+ 0 0 13 -3,-2.2 9,-2.1 -7,-0.1 8,-0.9 0.579 76.5 121.8 71.2 11.6 -7.2 2.8 -4.5 20 41 A T S S- 0 0 90 6,-0.2 6,-0.4 7,-0.2 -4,-0.2 0.346 85.9 -92.3 -87.2 0.1 -10.6 4.2 -3.2 21 42 A G + 0 0 27 -6,-2.5 -6,-0.2 4,-0.3 5,-0.1 0.506 56.9 163.6 87.7 126.2 -11.2 1.2 -1.0 22 43 A A S S+ 0 0 72 -8,-0.9 -7,-0.2 2,-0.5 4,-0.1 0.401 86.8 1.1-131.3 -77.9 -13.1 -2.0 -2.1 23 44 A S S S+ 0 0 107 -9,-2.8 -8,-0.2 2,-0.1 -10,-0.0 0.244 141.3 31.8 -92.6 4.3 -12.4 -5.0 0.1 24 45 A A S S- 0 0 29 -10,-0.7 -2,-0.5 26,-0.0 3,-0.1 -0.922 102.0 -70.0-157.8 166.6 -10.1 -2.7 2.2 25 46 A P - 0 0 102 0, 0.0 -4,-0.3 0, 0.0 2,-0.3 -0.321 60.6 -91.4 -73.9 153.9 -9.8 1.0 3.3 26 47 A A + 0 0 49 -6,-0.4 3,-0.2 1,-0.2 -6,-0.2 -0.467 37.1 179.1 -72.0 125.7 -8.8 3.7 0.8 27 48 A I > + 0 0 32 -8,-0.9 3,-2.8 -2,-0.3 4,-0.4 0.362 53.0 109.7-104.4 1.6 -5.0 4.3 0.5 28 49 A D T 3 S+ 0 0 69 -9,-2.1 3,-0.2 1,-0.3 -1,-0.1 0.849 95.2 27.7 -36.8 -44.9 -5.5 6.9 -2.3 29 50 A K T >> S+ 0 0 116 -3,-0.2 4,-2.1 -10,-0.2 3,-0.6 -0.115 85.0 118.2-113.2 31.9 -4.4 9.5 0.4 30 51 A A H <> S+ 0 0 6 -3,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.952 71.3 61.1 -62.9 -44.3 -2.3 7.2 2.6 31 52 A G H 34 S+ 0 0 13 39,-1.1 -1,-0.2 36,-0.6 40,-0.2 0.714 109.1 43.3 -54.2 -26.6 0.8 9.4 1.9 32 53 A A H <4 S+ 0 0 63 -3,-0.6 -1,-0.2 38,-0.4 -2,-0.2 0.868 116.8 45.6 -83.6 -45.1 -1.0 12.3 3.5 33 54 A N H < S+ 0 0 83 -4,-2.1 2,-0.3 1,-0.1 -2,-0.2 0.921 127.3 13.7 -58.3 -51.8 -2.4 10.3 6.5 34 55 A Y S < S- 0 0 111 -4,-3.2 -1,-0.1 -5,-0.1 2,-0.1 -0.919 81.2-109.9-134.1 150.0 0.9 8.5 7.3 35 56 A S >> - 0 0 63 -2,-0.3 4,-2.9 1,-0.1 3,-0.6 -0.352 38.0-102.2 -77.7 164.4 4.6 8.9 6.2 36 57 A E H 3> S+ 0 0 85 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.888 124.5 60.0 -49.4 -42.8 6.5 6.6 3.9 37 58 A E H 3> S+ 0 0 151 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 112.0 37.8 -53.0 -44.9 8.1 5.2 7.1 38 59 A E H <> S+ 0 0 112 -3,-0.6 4,-3.0 2,-0.2 -2,-0.2 0.923 118.4 47.0 -75.1 -48.0 4.6 4.2 8.4 39 60 A I H X S+ 0 0 10 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.936 112.6 50.6 -62.8 -46.3 3.1 3.1 5.1 40 61 A L H X S+ 0 0 39 -4,-3.3 4,-3.0 -5,-0.3 5,-0.2 0.945 110.5 49.8 -53.5 -51.7 6.2 1.0 4.3 41 62 A D H X S+ 0 0 84 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.955 111.0 49.5 -53.1 -51.6 6.0 -0.6 7.8 42 63 A I H X S+ 0 0 29 -4,-3.0 4,-0.9 2,-0.2 11,-0.3 0.905 112.5 47.0 -56.0 -45.2 2.3 -1.4 7.1 43 64 A I H < S+ 0 0 13 -4,-3.0 10,-2.4 1,-0.2 11,-1.0 0.956 119.4 41.0 -62.0 -45.4 3.1 -2.9 3.7 44 65 A L H < S+ 0 0 66 -4,-3.0 -2,-0.2 8,-0.2 -1,-0.2 0.767 130.4 26.9 -69.8 -29.0 5.9 -4.9 5.3 45 66 A N H < S- 0 0 103 -4,-2.7 7,-0.3 1,-0.3 -1,-0.2 0.078 98.8-144.3-128.9 19.5 4.1 -5.9 8.5 46 67 A G < - 0 0 5 -4,-0.9 -1,-0.3 -3,-0.5 2,-0.2 0.014 12.7-120.3 34.9-146.5 0.5 -5.8 7.2 47 68 A Q B > -A 50 0A 122 3,-2.3 3,-2.6 1,-0.2 -1,-0.1 -0.755 54.6 -39.9 177.4 135.6 -2.4 -4.5 9.5 48 69 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.2 -2,-0.2 0, 0.0 -0.059 135.5 1.2 32.0-110.7 -5.6 -6.1 10.8 49 70 A G T 3 S+ 0 0 86 -3,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.733 114.9 97.3 -71.0 -24.6 -7.1 -8.1 7.9 50 71 A M B < S-A 47 0A 49 -3,-2.6 -3,-2.3 1,-0.1 2,-0.3 -0.579 76.3-132.3 -69.4 118.3 -4.1 -7.1 5.6 51 72 A P - 0 0 89 0, 0.0 3,-0.4 0, 0.0 -5,-0.3 -0.551 28.4-113.3 -75.7 127.9 -1.4 -9.9 5.6 52 73 A G S S+ 0 0 44 -2,-0.3 -7,-0.2 -7,-0.3 -8,-0.2 -0.294 92.2 27.7 -66.5 140.3 2.0 -8.5 6.1 53 74 A G + 0 0 16 -10,-2.4 -1,-0.2 -11,-0.3 -9,-0.2 0.858 62.4 152.9 79.5 39.2 4.7 -8.5 3.5 54 75 A I S S+ 0 0 59 -11,-1.0 2,-0.3 -3,-0.4 -10,-0.1 0.930 81.5 26.0 -60.2 -48.9 2.3 -8.4 0.5 55 76 A A S S- 0 0 3 -12,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.862 83.0-174.0-102.7 149.3 5.2 -6.7 -1.3 56 77 A K > + 0 0 154 -2,-0.3 3,-0.6 -3,-0.0 2,-0.1 -0.965 45.2 19.9-141.4 160.0 8.8 -7.4 -0.2 57 78 A G T >> S- 0 0 55 -2,-0.3 3,-1.5 1,-0.2 4,-1.0 -0.317 124.7 -26.2 74.8-165.2 12.2 -6.0 -1.2 58 79 A A H 3> S+ 0 0 65 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.720 129.8 77.5 -54.3 -24.5 12.6 -2.6 -3.0 59 80 A E H <> S+ 0 0 57 -3,-0.6 4,-2.8 2,-0.2 -1,-0.3 0.948 95.5 43.9 -41.9 -60.1 9.0 -3.3 -4.2 60 81 A A H <> S+ 0 0 1 -3,-1.5 4,-3.1 1,-0.2 5,-0.2 0.914 114.0 50.9 -61.6 -45.7 7.5 -2.3 -0.8 61 82 A E H X S+ 0 0 124 -4,-1.0 4,-3.1 2,-0.2 5,-0.3 0.958 111.4 46.5 -51.7 -60.7 9.8 0.8 -0.6 62 83 A A H X S+ 0 0 21 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.920 114.2 48.8 -52.8 -48.9 8.9 2.0 -4.1 63 84 A V H X S+ 0 0 2 -4,-2.8 4,-3.1 -5,-0.2 -2,-0.2 0.965 114.5 44.5 -53.7 -59.7 5.2 1.4 -3.4 64 85 A A H X S+ 0 0 1 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.908 117.4 44.5 -50.3 -51.5 5.3 3.2 0.0 65 86 A A H X S+ 0 0 50 -4,-3.1 4,-1.7 2,-0.3 -1,-0.2 0.921 112.8 50.4 -66.2 -45.4 7.4 6.2 -1.3 66 87 A W H X S+ 0 0 51 -4,-3.0 4,-1.7 -5,-0.3 3,-0.4 0.947 112.6 48.8 -55.2 -47.8 5.2 6.5 -4.5 67 88 A L H < S+ 0 0 2 -4,-3.1 -36,-0.6 -5,-0.3 -2,-0.3 0.876 100.6 63.8 -60.0 -37.8 2.3 6.5 -2.1 68 89 A A H < S+ 0 0 15 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.905 107.9 43.6 -53.0 -40.9 4.0 9.2 0.0 69 90 A E H < S+ 0 0 153 -4,-1.7 2,-0.8 -3,-0.4 -1,-0.3 0.851 98.9 83.6 -67.5 -38.1 3.7 11.3 -3.1 70 91 A K < 0 0 84 -4,-1.7 -39,-1.1 1,-0.2 -38,-0.4 -0.606 360.0 360.0 -76.4 108.9 0.0 10.1 -3.7 71 92 A K 0 0 169 -2,-0.8 -1,-0.2 -40,-0.2 -39,-0.1 0.516 360.0 360.0-126.4 360.0 -2.1 12.4 -1.4