==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 31-JAN-02 1KX7 . COMPND 2 MOLECULE: MONO-HEME C-TYPE CYTOCHROME SCYA; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA PUTREFACIENS; . AUTHOR I.BARTALESI,I.BERTINI,P.HAJIEVA,A.ROSATO,P.R.VASOS . 81 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 42 51.9 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 . 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 . 3 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.7 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 0 1 0 1 0 1 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 -3 A A 0 0 85 0, 0.0 2,-0.3 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 -68.6 2.1 -2.9 -15.7 2 -2 A D - 0 0 103 3,-0.1 3,-0.3 6,-0.1 2,-0.2 -0.954 360.0-164.1-159.8 125.9 5.1 -5.0 -14.4 3 -1 A L + 0 0 39 -2,-0.3 3,-0.1 1,-0.2 63,-0.1 -0.508 54.6 118.1-109.1 58.1 5.7 -6.5 -10.9 4 1 A Q S S+ 0 0 150 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.627 80.5 30.2 -95.4 -20.1 9.4 -7.1 -11.3 5 2 A D > - 0 0 83 -3,-0.3 4,-2.5 1,-0.1 -1,-0.3 -0.957 63.0-149.8-145.0 122.8 10.2 -4.8 -8.4 6 3 A A H > S+ 0 0 15 -2,-0.3 4,-2.5 2,-0.2 5,-0.3 0.865 106.2 54.6 -53.9 -39.1 8.2 -4.0 -5.3 7 4 A E H > S+ 0 0 72 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.958 108.8 47.3 -58.7 -47.4 9.8 -0.6 -5.4 8 5 A A H > S+ 0 0 46 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.873 109.6 54.9 -67.3 -31.8 8.6 -0.1 -9.0 9 6 A I H X>S+ 0 0 9 -4,-2.5 4,-2.2 2,-0.2 5,-0.6 0.976 117.2 33.7 -66.3 -51.0 5.1 -1.3 -8.0 10 7 A Y H <5S+ 0 0 28 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.958 119.8 51.8 -68.2 -43.1 4.7 1.3 -5.2 11 8 A N H <5S+ 0 0 88 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.687 119.9 35.7 -69.0 -22.6 6.7 4.0 -7.1 12 9 A K H <5S+ 0 0 109 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.719 136.9 18.0 -91.3 -31.6 4.6 3.5 -10.2 13 10 A A T ><5S+ 0 0 12 -4,-2.2 2,-1.5 -5,-0.2 3,-0.7 0.848 125.4 43.1-109.5 -65.9 1.2 2.8 -8.4 14 11 A C T 3 >S+ 0 0 36 4,-0.1 4,-2.7 3,-0.1 5,-2.4 0.904 130.9 41.0 -91.0 -64.0 -1.6 9.7 -3.2 18 15 A H T 45S+ 0 0 22 1,-0.2 10,-1.8 3,-0.2 11,-0.2 0.677 101.5 70.1 -73.3 -22.9 0.8 8.2 -0.7 19 16 A S T 45S+ 0 0 36 8,-0.2 -1,-0.2 1,-0.2 9,-0.2 0.946 125.1 7.6 -57.7 -53.7 4.1 9.7 -2.1 20 17 A M T 45S- 0 0 158 -3,-0.5 -2,-0.2 -4,-0.2 -1,-0.2 0.640 110.7-104.5-102.1 -23.8 3.1 13.2 -0.9 21 18 A G T <5 + 0 0 29 -4,-2.7 3,-0.5 5,-0.1 -3,-0.2 0.846 59.8 164.5 92.1 49.1 -0.0 12.4 1.2 22 19 A V > < + 0 0 86 -5,-2.4 3,-2.2 1,-0.2 -1,-0.1 -0.475 58.1 27.9 -93.8 161.4 -2.8 13.6 -1.3 23 20 A A T 3 S- 0 0 70 1,-0.3 -1,-0.2 -2,-0.2 32,-0.1 0.675 137.1 -64.8 59.1 18.9 -6.5 12.6 -1.0 24 21 A G T 3 S+ 0 0 79 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.650 90.5 169.9 78.3 18.4 -5.8 12.3 2.8 25 22 A A < - 0 0 18 -3,-2.2 2,-0.2 -8,-0.1 -1,-0.2 -0.326 38.5-107.6 -71.6 145.5 -3.5 9.4 2.0 26 23 A P - 0 0 37 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 -0.507 49.4 -90.7 -76.9 137.2 -1.2 7.9 4.8 27 24 A K - 0 0 90 -2,-0.2 3,-0.2 1,-0.1 -8,-0.2 -0.030 20.0-128.3 -63.2 139.7 2.5 8.7 4.4 28 25 A S S S+ 0 0 26 -10,-1.8 2,-0.4 1,-0.2 -1,-0.1 0.796 105.5 29.0 -51.3 -32.5 4.8 6.5 2.4 29 26 A H S S+ 0 0 140 -11,-0.2 2,-0.3 -10,-0.1 -1,-0.2 -0.970 85.3 121.7-134.2 115.3 7.2 6.6 5.4 30 27 A N - 0 0 63 -2,-0.4 0, 0.0 -3,-0.2 0, 0.0 -0.955 44.0-152.3-154.6 166.2 5.7 7.0 8.9 31 28 A T S > S+ 0 0 119 -2,-0.3 4,-2.5 3,-0.1 3,-0.1 0.720 98.4 44.5-110.1 -36.0 5.6 5.2 12.3 32 29 A A T 4 S+ 0 0 80 2,-0.2 -2,-0.0 1,-0.2 0, 0.0 0.703 111.8 53.4 -82.5 -21.4 2.2 6.4 13.7 33 30 A D T 4 S+ 0 0 45 2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.751 117.6 38.4 -78.7 -30.6 0.4 5.9 10.4 34 31 A W T >> S+ 0 0 2 -3,-0.1 4,-2.6 2,-0.1 3,-1.8 0.798 100.7 75.5 -92.7 -35.4 1.7 2.3 10.3 35 32 A E T 3< S+ 0 0 136 -4,-2.5 4,-0.2 1,-0.3 -2,-0.1 0.897 95.1 48.3 -43.2 -56.8 1.3 1.5 14.1 36 33 A P T 34 S+ 0 0 64 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.580 115.1 48.3 -67.9 -7.5 -2.6 1.1 14.1 37 34 A R T X> S+ 0 0 116 -3,-1.8 4,-1.8 2,-0.1 3,-1.5 0.874 106.8 52.8 -93.4 -51.6 -2.1 -1.2 11.0 38 35 A L T 3< S+ 0 0 72 -4,-2.6 -3,-0.1 1,-0.2 -1,-0.1 0.328 95.0 77.3 -61.8 8.8 0.6 -3.4 12.6 39 36 A A T 34 S+ 0 0 76 -5,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.823 108.1 24.1 -89.3 -37.9 -1.8 -3.8 15.6 40 37 A K T <4 S- 0 0 183 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.770 124.1 -95.4 -93.1 -38.7 -3.9 -6.4 13.8 41 38 A G < - 0 0 24 -4,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.987 32.1 -84.2 157.3-143.6 -1.3 -7.6 11.3 42 39 A V S >> S+ 0 0 35 -2,-0.3 3,-2.8 -4,-0.1 4,-0.8 0.631 109.9 60.1-127.0 -60.5 -0.2 -7.0 7.7 43 40 A D H 3> S+ 0 0 82 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.788 89.1 78.7 -45.0 -33.6 -2.3 -9.0 5.2 44 41 A N H 3> S+ 0 0 63 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.698 100.7 40.7 -48.3 -24.3 -5.4 -7.1 6.6 45 42 A L H <> S+ 0 0 18 -3,-2.8 4,-3.1 35,-0.2 5,-0.3 0.858 106.5 58.9 -94.7 -47.0 -4.1 -4.2 4.3 46 43 A V H X S+ 0 0 11 -4,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.851 109.8 48.4 -52.0 -34.7 -3.2 -6.3 1.2 47 44 A K H X S+ 0 0 124 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.932 111.6 48.1 -67.6 -44.0 -6.8 -7.4 1.3 48 45 A S H X S+ 0 0 33 -4,-0.6 4,-2.0 -5,-0.3 11,-0.2 0.922 115.1 45.7 -64.1 -43.0 -8.1 -3.7 1.6 49 46 A V H < S+ 0 0 19 -4,-3.1 11,-1.5 2,-0.2 10,-1.2 0.943 113.3 47.4 -65.6 -48.8 -5.8 -2.6 -1.2 50 47 A K H < S+ 0 0 126 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.833 116.9 46.6 -62.6 -31.9 -6.7 -5.4 -3.5 51 48 A T H < S- 0 0 81 -4,-2.0 -2,-0.2 7,-0.2 -1,-0.2 0.831 115.8-118.3 -74.0 -33.9 -10.4 -4.7 -2.7 52 49 A G < - 0 0 19 -4,-2.0 -3,-0.2 6,-0.2 -2,-0.1 0.567 17.9-133.5 89.0 113.9 -10.1 -0.9 -3.1 53 50 A L - 0 0 97 4,-0.2 3,-0.3 -4,-0.1 7,-0.1 -0.099 43.5 -83.0 -74.3-170.0 -10.7 1.6 -0.3 54 51 A N S S+ 0 0 160 1,-0.3 -1,-0.0 -2,-0.0 0, 0.0 0.973 132.4 30.1 -66.6 -57.0 -12.9 4.7 -1.0 55 52 A A S S+ 0 0 72 -32,-0.1 -1,-0.3 2,-0.1 -30,-0.1 0.323 114.0 85.0 -80.7 1.7 -10.2 6.9 -2.6 56 53 A M S S- 0 0 53 -3,-0.3 3,-0.0 4,-0.0 0, 0.0 -0.891 81.5-118.3-109.7 140.7 -8.5 3.8 -3.9 57 54 A P > - 0 0 53 0, 0.0 3,-1.5 0, 0.0 2,-0.7 -0.431 45.3 -91.1 -69.9 149.2 -9.3 1.9 -7.2 58 55 A P T 3 S+ 0 0 115 0, 0.0 -6,-0.2 0, 0.0 -7,-0.2 -0.487 118.1 24.7 -65.6 104.9 -10.4 -1.8 -6.7 59 56 A G T > S- 0 0 14 -10,-1.2 3,-2.3 -2,-0.7 -9,-0.3 0.624 120.7 -86.6 110.7 22.4 -7.1 -3.7 -6.9 60 57 A G T < S- 0 0 13 -3,-1.5 -10,-0.1 -11,-1.5 3,-0.1 0.781 83.4 -63.0 50.8 33.3 -4.6 -1.0 -5.8 61 58 A M T 3 S+ 0 0 111 -4,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.752 116.5 113.5 60.2 29.9 -4.3 0.2 -9.5 62 59 A a < - 0 0 28 -3,-2.3 -1,-0.2 -5,-0.1 -2,-0.0 -0.459 43.3-177.8-114.6-177.9 -2.9 -3.3 -10.3 63 60 A T S S+ 0 0 108 -2,-0.2 -1,-0.1 -3,-0.1 -2,-0.0 0.266 82.4 20.6-146.0 -67.6 -4.1 -6.3 -12.4 64 61 A D S S+ 0 0 122 2,-0.1 2,-0.6 0, 0.0 -61,-0.1 -0.116 86.0 140.1-105.4 31.2 -1.8 -9.4 -12.5 65 62 A a - 0 0 18 -6,-0.1 2,-0.2 -63,-0.1 -3,-0.1 -0.707 40.6-148.5 -88.9 114.1 0.0 -8.4 -9.3 66 63 A T >> - 0 0 58 -2,-0.6 4,-2.8 -63,-0.1 3,-0.8 -0.484 26.5-109.0 -86.3 151.2 0.8 -11.3 -6.9 67 64 A D H 3>>S+ 0 0 87 1,-0.2 4,-3.1 2,-0.2 5,-0.5 0.793 116.1 66.0 -47.8 -35.5 1.0 -11.1 -3.1 68 65 A E H 3>5S+ 0 0 139 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.968 114.4 28.9 -49.3 -55.8 4.8 -11.6 -3.3 69 66 A D H <>5S+ 0 0 30 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.886 121.4 54.6 -76.3 -37.0 5.1 -8.2 -5.1 70 67 A Y H X5S+ 0 0 20 -4,-2.8 4,-2.0 2,-0.2 -3,-0.2 0.961 114.4 39.0 -60.2 -52.9 2.0 -6.7 -3.4 71 68 A K H X5S+ 0 0 46 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.938 113.7 55.6 -64.9 -46.4 3.3 -7.4 0.1 72 69 A A H X