==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 28-FEB-12 4DY9 . COMPND 2 MOLECULE: CYTOCHROME C; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR V.S.JASION,T.L.POULOS . 108 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 53.7 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 . 2 1.9 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 0.9 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 . 6 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 0 0 0 0 1 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 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 6 A R 0 0 174 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.8 -11.6 -13.0 28.4 2 7 A A - 0 0 80 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.355 360.0 -94.8 -72.0 156.5 -15.2 -12.3 27.4 3 8 A P - 0 0 124 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.334 40.6-102.3 -68.9 154.1 -16.0 -12.2 23.7 4 9 A L - 0 0 43 1,-0.1 3,-0.1 93,-0.0 91,-0.1 -0.448 43.0-110.7 -62.4 148.6 -16.0 -8.9 21.8 5 10 A P - 0 0 43 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.261 50.0 -71.4 -70.1 171.3 -19.6 -7.6 21.2 6 11 A P - 0 0 113 0, 0.0 93,-0.1 0, 0.0 2,-0.1 -0.456 57.8-134.9 -62.8 136.0 -21.0 -7.6 17.6 7 12 A G - 0 0 39 91,-0.3 2,-0.4 -2,-0.2 92,-0.2 -0.409 5.2-139.6 -91.6 167.1 -19.3 -4.9 15.5 8 13 A D > - 0 0 53 87,-0.3 4,-2.5 -2,-0.1 95,-0.3 -0.991 6.1-149.2-126.4 128.7 -20.7 -2.4 13.1 9 14 A V H > S+ 0 0 64 -2,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.805 96.7 49.9 -66.4 -31.0 -18.9 -1.6 9.8 10 15 A E H > S+ 0 0 143 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 113.0 44.5 -75.2 -45.4 -20.0 2.0 9.6 11 16 A R H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.904 115.0 52.5 -59.1 -40.4 -19.0 2.9 13.2 12 17 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 87,-0.3 -2,-0.2 0.854 104.8 53.9 -64.9 -36.8 -15.8 0.9 12.4 13 18 A E H X S+ 0 0 76 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.914 109.1 48.5 -63.1 -43.5 -15.1 3.0 9.3 14 19 A K H X S+ 0 0 168 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.913 111.8 49.0 -64.7 -43.7 -15.4 6.2 11.2 15 20 A L H X>S+ 0 0 25 -4,-2.2 4,-1.8 2,-0.2 5,-0.6 0.854 110.5 51.9 -63.4 -36.1 -13.0 4.9 13.9 16 21 A F H X>S+ 0 0 9 -4,-2.2 5,-2.8 2,-0.2 4,-0.8 0.943 109.3 49.3 -63.2 -48.0 -10.6 3.8 11.1 17 22 A K H <5S+ 0 0 129 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.870 116.7 43.1 -58.1 -36.9 -10.6 7.3 9.6 18 23 A G H <5S+ 0 0 50 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.752 132.7 12.2 -82.5 -25.6 -10.0 8.8 13.0 19 24 A R H <5S+ 0 0 84 -4,-1.8 3,-0.4 -5,-0.1 -3,-0.2 0.772 128.4 38.5-124.1 -46.9 -7.3 6.4 14.3 20 25 A A T >X S- 0 0 94 1,-0.1 3,-2.6 12,-0.1 12,-0.4 -0.461 84.6 -91.9 -82.0 150.9 -7.9 0.9 -0.3 28 33 A K T 3 S+ 0 0 153 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.450 117.5 7.2 -58.6 126.6 -6.7 -1.9 -2.6 29 34 A G T 3 S+ 0 0 74 1,-0.2 -1,-0.3 -2,-0.2 3,-0.1 0.580 96.7 160.0 74.0 9.7 -3.3 -0.9 -3.8 30 35 A G < - 0 0 14 -3,-2.6 7,-0.2 1,-0.1 -1,-0.2 -0.218 45.1 -87.4 -61.4 157.0 -3.4 2.1 -1.4 31 36 A S - 0 0 84 -3,-0.1 -6,-0.5 1,-0.1 2,-0.3 -0.228 30.4-122.7 -73.1 151.8 -0.0 3.6 -0.5 32 37 A N + 0 0 55 4,-0.1 2,-0.1 -3,-0.1 -8,-0.1 -0.631 43.5 150.9 -79.6 150.2 2.3 2.7 2.3 33 38 A G S S- 0 0 51 2,-2.5 -10,-0.1 -10,-0.4 -9,-0.1 -0.334 72.1 -21.3-144.9-129.0 3.1 5.5 4.7 34 39 A V S S+ 0 0 116 -12,-0.2 -10,-0.1 -2,-0.1 -11,-0.1 0.960 140.7 20.8 -53.8 -48.0 4.0 5.4 8.4 35 40 A G S S- 0 0 8 -12,-2.5 -2,-2.5 1,-0.1 -10,-0.2 -0.663 100.3 -86.0-115.6 173.2 2.3 2.0 8.4 36 41 A P - 0 0 14 0, 0.0 -11,-0.1 0, 0.0 -1,-0.1 -0.307 48.9 -89.8 -78.4 159.2 1.5 -0.5 5.6 37 42 A N - 0 0 14 -7,-0.2 -11,-0.2 13,-0.2 -5,-0.1 -0.464 36.9-155.0 -58.7 138.8 -1.6 -0.5 3.4 38 43 A L > + 0 0 25 -13,-2.5 3,-1.7 -2,-0.1 4,-0.2 0.338 43.6 132.0-105.0 7.0 -4.2 -2.6 5.2 39 44 A F T 3 S+ 0 0 47 -12,-0.4 69,-0.1 1,-0.3 -12,-0.1 -0.372 82.1 6.2 -61.9 134.4 -6.4 -3.8 2.4 40 45 A G T 3 S+ 0 0 15 67,-1.6 -1,-0.3 64,-0.3 68,-0.1 0.612 89.6 132.2 74.1 14.8 -7.0 -7.6 2.5 41 46 A I X + 0 0 19 -3,-1.7 3,-1.9 63,-0.1 24,-0.3 0.779 34.5 101.0 -72.2 -28.8 -5.3 -7.9 5.9 42 47 A V T 3 S+ 0 0 21 62,-0.4 24,-0.2 65,-0.3 23,-0.0 -0.393 99.2 1.2 -69.0 130.9 -7.9 -9.9 7.8 43 48 A N T 3 S+ 0 0 94 22,-3.4 -1,-0.3 1,-0.3 23,-0.2 0.649 108.7 118.0 67.4 18.3 -7.0 -13.7 8.0 44 49 A R S < S- 0 0 136 -3,-1.9 21,-2.3 21,-0.3 -1,-0.3 -0.815 74.0 -91.8-112.2 154.7 -3.8 -13.0 6.1 45 50 A P B > -A 64 0A 62 0, 0.0 3,-0.5 0, 0.0 19,-0.2 -0.317 44.7-111.2 -65.8 146.9 -0.3 -13.5 7.4 46 51 A S T 3 S+ 0 0 3 17,-2.6 16,-0.2 1,-0.2 18,-0.0 -0.350 91.9 28.8 -67.4 153.0 1.5 -10.6 9.1 47 52 A G T 3 S+ 0 0 17 1,-0.1 -1,-0.2 14,-0.1 7,-0.1 0.711 84.1 108.8 77.9 25.5 4.4 -8.8 7.5 48 53 A K < + 0 0 148 -3,-0.5 2,-0.3 2,-0.1 -2,-0.1 0.440 30.1 127.3-116.3 -4.5 3.6 -9.4 3.8 49 54 A V > - 0 0 34 1,-0.1 3,-1.8 2,-0.1 5,-0.1 -0.413 65.1-117.7 -65.3 117.7 2.5 -6.0 2.5 50 55 A E T 3 S+ 0 0 180 -2,-0.3 -13,-0.2 1,-0.3 -1,-0.1 -0.249 91.5 14.1 -60.2 133.2 4.7 -5.3 -0.6 51 56 A G T 3 S+ 0 0 71 1,-0.2 2,-0.5 -15,-0.1 -1,-0.3 0.358 94.5 120.7 90.9 -8.6 7.0 -2.3 -0.4 52 57 A F < - 0 0 35 -3,-1.8 2,-1.1 -15,-0.1 -1,-0.2 -0.789 58.5-139.5 -96.9 133.0 6.7 -1.8 3.3 53 58 A T - 0 0 110 -2,-0.5 2,-0.1 -3,-0.1 -3,-0.0 -0.752 28.8-168.4 -90.5 96.3 9.7 -1.9 5.6 54 59 A Y - 0 0 33 -2,-1.1 2,-0.1 -7,-0.1 30,-0.0 -0.394 27.0-104.6 -76.4 159.2 8.6 -3.8 8.7 55 60 A S > - 0 0 22 1,-0.1 4,-3.1 -2,-0.1 5,-0.2 -0.431 39.4-108.6 -66.3 158.7 10.5 -4.1 11.9 56 61 A K H > S+ 0 0 176 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.828 119.9 59.9 -62.5 -28.9 12.0 -7.5 12.3 57 62 A A H 4 S+ 0 0 31 26,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.949 113.6 34.1 -62.5 -49.6 9.4 -8.3 15.0 58 63 A N H >4 S+ 0 0 21 25,-0.2 3,-1.0 2,-0.2 4,-0.4 0.919 115.6 57.2 -73.1 -42.9 6.5 -7.7 12.6 59 64 A A H 3< S+ 0 0 34 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.864 121.6 27.9 -55.1 -38.5 8.3 -9.1 9.6 60 65 A E T 3< S+ 0 0 151 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.237 86.4 109.6-111.2 12.4 8.9 -12.4 11.4 61 66 A S < - 0 0 43 -3,-1.0 -1,-0.1 -4,-0.3 -2,-0.1 0.902 57.6-160.7 -51.4 -46.2 5.8 -12.4 13.7 62 67 A G + 0 0 60 -4,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.329 38.7 141.8 76.9 -9.0 4.3 -15.3 11.8 63 68 A V - 0 0 26 -5,-0.1 -17,-2.6 -18,-0.1 2,-0.5 -0.291 48.5-136.3 -63.7 148.3 0.9 -14.4 13.3 64 69 A I B -A 45 0A 89 -19,-0.2 2,-2.4 -3,-0.1 5,-0.2 -0.943 19.9-125.1-106.9 127.3 -2.2 -14.6 11.0 65 70 A W + 0 0 12 -21,-2.3 -22,-3.4 -2,-0.5 -21,-0.3 -0.361 45.9 161.4 -77.8 65.1 -4.6 -11.6 11.5 66 71 A T > - 0 0 37 -2,-2.4 4,-2.6 -24,-0.2 5,-0.2 -0.360 57.3-104.0 -67.9 162.0 -7.8 -13.5 12.3 67 72 A P H > S+ 0 0 29 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.892 124.1 53.8 -55.0 -38.0 -10.5 -11.4 14.0 68 73 A E H > S+ 0 0 131 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.878 110.6 44.4 -65.3 -39.2 -9.6 -13.1 17.3 69 74 A V H > S+ 0 0 32 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.904 111.3 53.2 -71.2 -40.6 -5.9 -12.2 17.0 70 75 A L H X S+ 0 0 8 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.870 103.4 60.3 -62.4 -36.9 -6.8 -8.6 15.9 71 76 A D H X S+ 0 0 17 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.975 113.0 34.8 -50.5 -60.2 -8.9 -8.4 19.1 72 77 A V H X S+ 0 0 57 -4,-1.6 4,-1.0 1,-0.2 3,-0.3 0.934 121.0 47.8 -65.4 -45.9 -5.9 -9.0 21.4 73 78 A Y H >< S+ 0 0 14 -4,-3.0 3,-0.8 1,-0.2 7,-0.2 0.942 111.0 48.5 -62.7 -49.5 -3.4 -7.1 19.3 74 79 A L H 3< S+ 0 0 16 -4,-2.9 17,-3.1 1,-0.2 -1,-0.2 0.733 102.8 64.1 -67.1 -19.6 -5.4 -4.0 18.7 75 80 A E H 3< S- 0 0 61 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.870 133.3 -7.9 -69.2 -35.1 -6.2 -3.8 22.4 76 81 A N S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 7,-0.2 0.906 85.4 49.8 -53.2 -48.3 -0.2 -3.7 20.2 78 83 A K H 4 S+ 0 0 67 10,-0.4 6,-0.2 1,-0.2 11,-0.1 0.829 109.7 50.9 -65.1 -33.3 3.1 -3.4 22.1 79 84 A K H 4 S+ 0 0 171 -3,-0.4 -1,-0.2 -6,-0.2 -6,-0.1 0.927 115.0 42.7 -68.3 -45.1 2.1 -5.9 24.8 80 85 A F H < S+ 0 0 80 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.895 130.4 23.5 -67.0 -43.0 1.1 -8.5 22.1 81 86 A M S >< S- 0 0 12 -4,-2.8 3,-2.2 -5,-0.2 -1,-0.3 -0.742 75.2-160.6-130.4 81.9 4.2 -7.9 19.9 82 87 A P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.451 84.0 38.3 -59.5 133.4 7.1 -6.4 21.7 83 88 A G T 3 S+ 0 0 56 1,-0.4 -26,-0.3 -2,-0.1 -25,-0.2 0.177 81.3 137.9 107.1 -16.6 9.3 -4.8 19.1 84 89 A T < - 0 0 17 -3,-2.2 -1,-0.4 -7,-0.2 -28,-0.0 -0.360 47.0-152.3 -60.8 140.4 6.5 -3.6 17.0 85 90 A K + 0 0 112 -3,-0.1 2,-1.1 2,-0.1 -1,-0.1 0.205 61.8 118.5 -96.2 15.0 7.1 -0.1 15.7 86 91 A M - 0 0 42 1,-0.1 2,-1.7 2,-0.1 -8,-0.1 -0.716 54.0-160.2 -79.1 100.5 3.3 0.5 15.6 87 92 A S + 0 0 123 -2,-1.1 2,-0.4 -10,-0.1 -1,-0.1 -0.522 45.3 121.5 -89.7 71.0 3.2 3.4 18.0 88 93 A F - 0 0 49 -2,-1.7 -10,-0.4 1,-0.1 3,-0.1 -0.999 58.7-143.4-134.7 130.3 -0.5 3.2 18.9 89 94 A A - 0 0 71 -2,-0.4 2,-0.1 1,-0.2 -1,-0.1 0.732 54.2-111.2 -69.0 -24.0 -1.7 2.6 22.5 90 95 A G - 0 0 13 -14,-0.2 2,-0.8 -13,-0.1 -15,-0.3 -0.408 25.2 -75.1 118.5 167.1 -4.5 0.4 21.3 91 96 A I + 0 0 7 -17,-3.1 6,-0.1 1,-0.2 -15,-0.0 -0.898 47.9 179.9 -99.6 103.4 -8.3 0.4 21.1 92 97 A K + 0 0 107 -2,-0.8 -1,-0.2 4,-0.1 -17,-0.1 0.858 54.0 81.9 -78.5 -37.9 -9.3 -0.2 24.7 93 98 A K S > S- 0 0 131 1,-0.1 4,-2.5 2,-0.0 5,-0.2 -0.583 72.9-142.7 -76.1 124.3 -13.1 -0.2 24.5 94 99 A P H > S+ 0 0 68 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.857 98.7 50.6 -54.3 -41.3 -14.4 -3.6 23.3 95 100 A Q H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 -87,-0.3 0.937 111.7 46.3 -66.6 -47.2 -17.2 -2.1 21.2 96 101 A E H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.911 113.9 50.1 -58.0 -42.0 -14.9 0.3 19.4 97 102 A R H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.936 110.2 49.4 -63.4 -45.6 -12.5 -2.6 18.9 98 103 A A H X S+ 0 0 6 -4,-2.8 4,-2.6 1,-0.2 -91,-0.3 0.899 111.2 50.6 -58.3 -41.9 -15.2 -4.8 17.5 99 104 A D H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -87,-0.3 0.937 109.6 48.9 -64.4 -49.5 -16.3 -2.0 15.1 100 105 A V H X S+ 0 0 10 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.919 112.9 48.3 -56.0 -44.8 -12.8 -1.5 13.8 101 106 A I H X S+ 0 0 8 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.908 108.5 53.6 -66.4 -40.1 -12.4 -5.2 13.2 102 107 A A H X S+ 0 0 12 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.913 110.9 47.3 -56.9 -44.2 -15.8 -5.5 11.5 103 108 A Y H >< S+ 0 0 32 -4,-2.3 3,-1.6 -95,-0.3 4,-0.5 0.932 108.2 54.4 -61.8 -47.5 -14.7 -2.7 9.1 104 109 A L H >< S+ 0 0 9 -4,-2.6 3,-1.7 1,-0.3 -62,-0.4 0.879 100.7 61.3 -55.0 -38.0 -11.3 -4.4 8.5 105 110 A E H 3< S+ 0 0 100 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.764 98.2 57.6 -59.0 -27.2 -13.2 -7.5 7.4 106 111 A T T << S+ 0 0 73 -3,-1.6 2,-2.7 -4,-0.6 -1,-0.3 0.563 74.4 100.6 -80.3 -11.5 -14.8 -5.5 4.6 107 112 A L < 0 0 14 -3,-1.7 -67,-1.6 -4,-0.5 -65,-0.3 -0.479 360.0 360.0 -77.4 75.4 -11.4 -4.7 3.2 108 113 A K 0 0 152 -2,-2.7 -1,-0.2 -69,-0.1 -69,-0.0 0.285 360.0 360.0 -2.9 360.0 -12.0 -7.4 0.7