==== 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 29-JAN-02 1KWJ . COMPND 2 MOLECULE: CYTOCHROME C7; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFUROMONAS ACETOXIDANS; . AUTHOR M.ASSFALG,I.BERTINI,P.TURANO,M.BRUSCHI,M.C.DURAND, . 68 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 69.1 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 . 3 4.4 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 . 14 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.9 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 1 0 1 0 0 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 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 ANTIPARALLEL 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 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 A 0 0 107 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-165.9 -11.0 -8.3 -2.4 2 2 A D + 0 0 91 1,-0.2 15,-0.6 15,-0.1 2,-0.3 0.450 360.0 1.8 -82.3-133.6 -8.1 -10.3 -0.7 3 3 A V E S-A 16 0A 86 13,-0.2 2,-0.5 14,-0.1 -1,-0.2 -0.386 71.1-170.4 -62.4 115.7 -4.5 -10.2 -2.1 4 4 A V E -A 15 0A 55 11,-2.7 11,-3.3 -2,-0.3 2,-0.6 -0.939 7.4-155.8-111.5 123.0 -4.5 -7.8 -5.2 5 5 A T - 0 0 54 -2,-0.5 2,-1.0 9,-0.2 7,-0.1 -0.867 6.2-148.9-106.5 113.1 -1.4 -7.7 -7.4 6 6 A Y - 0 0 98 -2,-0.6 2,-1.7 1,-0.1 7,-0.4 -0.672 11.0-154.3 -83.3 96.3 -0.8 -4.5 -9.5 7 7 A E + 0 0 153 -2,-1.0 2,-0.2 5,-0.2 5,-0.1 -0.521 32.3 154.7 -81.6 83.9 1.1 -5.7 -12.7 8 8 A N > - 0 0 66 -2,-1.7 3,-1.1 3,-0.2 4,-0.0 -0.532 56.8-101.4-101.6 170.4 3.0 -2.5 -13.7 9 9 A A T 3 S+ 0 0 115 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.761 114.4 58.8 -66.3 -28.1 6.2 -2.2 -15.8 10 10 A A T 3 S- 0 0 70 1,-0.3 -1,-0.2 58,-0.0 56,-0.1 0.176 127.8 -62.1 -92.8 16.9 8.5 -1.6 -12.8 11 11 A G < - 0 0 14 -3,-1.1 -1,-0.3 55,-0.1 -3,-0.2 0.226 61.8 -87.9 106.3 127.8 7.7 -4.9 -10.9 12 12 A N - 0 0 42 55,-0.2 55,-2.9 54,-0.2 -5,-0.2 -0.245 36.5-157.9 -68.7 160.1 4.4 -6.0 -9.5 13 13 A V - 0 0 39 -7,-0.4 -1,-0.1 53,-0.2 -8,-0.1 0.663 14.2-136.8-127.8 -26.5 3.6 -4.8 -6.0 14 14 A T - 0 0 48 1,-0.2 2,-0.9 -11,-0.0 -9,-0.2 0.972 2.6-149.3 63.5 93.3 1.0 -6.9 -4.1 15 15 A F E -A 4 0A 52 -11,-3.3 -11,-2.7 -13,-0.1 2,-2.5 -0.820 9.9-154.9 -82.7 100.9 -1.7 -5.1 -2.0 16 16 A D E >> +A 3 0A 43 -2,-0.9 4,-2.7 -13,-0.2 5,-0.7 -0.441 21.3 173.7 -80.6 69.1 -2.3 -7.7 0.7 17 17 A H H >5S+ 0 0 91 -2,-2.5 4,-0.8 -15,-0.6 -1,-0.2 0.870 81.6 33.9 -46.9 -42.9 -5.8 -6.3 1.2 18 18 A K H >5S+ 0 0 100 -3,-0.2 4,-2.5 2,-0.1 5,-0.2 0.986 119.5 45.4 -67.0 -75.2 -6.2 -9.2 3.6 19 19 A A H >5S+ 0 0 54 1,-0.3 4,-0.8 2,-0.2 -2,-0.2 0.829 114.8 48.0 -56.0 -40.3 -2.8 -9.7 5.2 20 20 A H H >X5S+ 0 0 73 -4,-2.7 4,-3.1 1,-0.2 3,-1.3 0.973 115.1 47.3 -56.3 -53.3 -2.2 -6.0 5.9 21 21 A A H 3X> S+ 0 0 72 1,-0.2 3,-2.9 -9,-0.2 4,-0.5 -0.308 121.5 79.8 62.5 -59.5 -9.2 -1.8 7.7 27 27 A D G >4 S+ 0 0 118 -2,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.830 78.9 71.6 -44.6 -44.0 -9.4 1.6 9.4 28 28 A A G 3< S+ 0 0 65 -4,-1.1 -1,-0.3 1,-0.3 3,-0.1 0.696 115.6 22.2 -41.7 -32.8 -5.6 2.0 9.0 29 29 A C G <4 S+ 0 0 78 -3,-2.9 2,-0.3 1,-0.2 -1,-0.3 0.285 126.5 54.6-115.3 0.4 -6.2 2.4 5.2 30 30 A H S << S- 0 0 32 -3,-1.7 2,-1.9 -4,-0.5 -1,-0.2 -0.824 73.2-137.0-153.5 100.4 -9.9 3.6 5.3 31 31 A E S S- 0 0 200 -2,-0.3 2,-2.3 1,-0.2 -3,-0.1 -0.346 74.6 -62.9 -66.3 82.0 -11.4 6.5 7.3 32 32 A G S S+ 0 0 64 -2,-1.9 -1,-0.2 -5,-0.1 -5,-0.1 -0.330 131.0 65.7 77.8 -60.3 -14.6 4.8 8.5 33 33 A T S S- 0 0 119 -2,-2.3 2,-0.3 -6,-0.1 -2,-0.2 -0.846 80.1-145.0 -96.8 105.9 -16.1 4.2 5.1 34 34 A P + 0 0 89 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.537 36.7 144.7 -74.1 133.9 -14.0 1.7 3.0 35 35 A A - 0 0 65 -2,-0.3 2,-1.3 0, 0.0 -2,-0.0 -0.947 57.2 -65.3-158.9 170.7 -13.9 2.5 -0.7 36 36 A K - 0 0 212 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.525 46.0-160.8 -74.5 95.3 -11.6 2.4 -3.8 37 37 A I - 0 0 92 -2,-1.3 2,-1.0 1,-0.1 -1,-0.0 -0.580 29.1-112.1 -67.6 130.0 -8.8 4.8 -3.2 38 38 A A - 0 0 84 -2,-0.3 2,-0.4 5,-0.0 5,-0.2 -0.559 38.0-167.2 -73.5 103.2 -7.1 5.7 -6.5 39 39 A I + 0 0 38 -2,-1.0 2,-0.3 4,-0.1 -3,-0.0 -0.764 22.5 138.4 -93.1 135.2 -3.6 4.2 -6.4 40 40 A D S > S- 0 0 85 -2,-0.4 4,-2.8 0, 0.0 5,-0.4 -0.928 71.2 -79.5-159.8 171.1 -1.1 5.2 -9.0 41 41 A K T 4 S+ 0 0 167 -2,-0.3 -2,-0.0 2,-0.2 4,-0.0 0.523 131.9 52.4 -60.7 -8.3 2.6 6.2 -9.3 42 42 A K T >> S+ 0 0 162 3,-0.1 4,-1.5 2,-0.1 3,-0.9 0.881 117.7 31.8 -82.2 -68.3 1.5 9.6 -8.0 43 43 A S H >>>S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 3,-0.6 0.920 118.0 52.3 -57.7 -55.3 -0.4 8.3 -4.8 44 44 A A H 3<5S+ 0 0 24 -4,-2.8 6,-0.5 1,-0.3 -1,-0.2 0.594 117.5 38.9 -60.9 -21.6 1.7 5.3 -4.0 45 45 A H H <45S+ 0 0 105 -3,-0.9 -1,-0.3 -5,-0.4 -2,-0.2 0.601 116.9 49.3-103.2 -20.2 5.0 7.3 -4.0 46 46 A K H <<5S- 0 0 153 -4,-1.5 -2,-0.2 -3,-0.6 -3,-0.2 0.953 132.3 -42.6 -82.5 -58.7 3.7 10.5 -2.4 47 47 A D T X5S+ 0 0 89 -4,-2.0 4,-2.7 1,-0.2 5,-0.5 0.479 104.4 94.4-148.8 -59.4 1.8 9.5 0.7 48 48 A A T 4 S+ 0 0 64 1,-0.2 4,-2.5 -3,-0.1 3,-0.2 -0.395 130.7 72.1 67.6 -62.3 1.5 3.3 1.4 50 50 A K H > S+ 0 0 69 -2,-2.6 4,-3.3 -6,-0.5 5,-0.3 0.878 92.0 49.5 -42.5 -63.8 4.7 5.4 1.7 51 51 A T H X S+ 0 0 62 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.875 113.5 46.6 -58.4 -40.1 3.9 7.5 4.9 52 52 A C H > S+ 0 0 67 -5,-0.5 4,-0.6 -3,-0.2 -1,-0.2 0.977 114.6 47.4 -61.4 -53.2 2.8 4.4 6.9 53 53 A H H ><>S+ 0 0 43 -4,-2.5 5,-1.7 1,-0.2 3,-1.5 0.931 113.4 48.8 -51.1 -52.4 6.0 2.5 5.7 54 54 A K H 3<5S+ 0 0 129 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.861 104.2 60.5 -49.9 -46.0 8.1 5.6 6.6 55 55 A S H 3<5S+ 0 0 90 -4,-2.3 -1,-0.3 -5,-0.3 2,-0.2 0.556 117.1 27.2 -66.2 -11.6 6.4 5.8 10.1 56 56 A N T <<5S- 0 0 109 -3,-1.5 2,-1.7 -4,-0.6 0, 0.0 -0.675 113.3 -70.0-128.6-168.7 7.8 2.2 10.8 57 57 A N T 5S+ 0 0 176 -2,-0.2 -3,-0.1 2,-0.1 -4,-0.1 -0.310 76.3 167.8 -79.7 52.8 10.8 0.1 9.8 58 58 A G < - 0 0 18 -2,-1.7 2,-2.5 -5,-1.7 6,-0.0 -0.190 53.8 -90.3 -69.8 163.9 9.1 -0.2 6.3 59 59 A P - 0 0 64 0, 0.0 2,-2.6 0, 0.0 5,-0.2 -0.434 49.0-172.0 -73.7 72.9 10.8 -1.5 3.1 60 60 A T + 0 0 103 -2,-2.5 2,-0.3 -7,-0.1 3,-0.1 -0.362 50.1 85.7 -71.1 65.9 12.0 2.0 2.2 61 61 A K S >> S- 0 0 169 -2,-2.6 3,-1.0 1,-0.2 4,-0.7 -0.964 84.5-115.0-165.1 147.3 13.4 1.0 -1.3 62 62 A C H >> S+ 0 0 104 -2,-0.3 4,-2.9 1,-0.3 3,-2.1 0.968 121.9 44.7 -54.1 -57.4 11.9 0.5 -4.8 63 63 A G H 34 S+ 0 0 38 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.574 98.7 75.9 -61.4 -12.1 12.6 -3.3 -4.8 64 64 A G H <4 S+ 0 0 34 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.740 116.7 15.7 -69.9 -25.8 11.1 -3.1 -1.3 65 65 A C H << S+ 0 0 46 -3,-2.1 2,-0.5 -4,-0.7 -2,-0.2 0.724 121.4 66.2-107.2 -49.9 7.7 -2.8 -3.0 66 66 A H S < S- 0 0 33 -4,-2.9 -53,-0.2 -5,-0.2 2,-0.2 -0.658 82.3-122.5 -84.9 124.8 8.3 -3.9 -6.6 67 67 A I 0 0 116 -55,-2.9 -55,-0.2 -2,-0.5 -3,-0.1 -0.447 360.0 360.0 -58.8 125.0 9.3 -7.5 -7.5 68 68 A K 0 0 207 -2,-0.2 -58,-0.0 -5,-0.2 -57,-0.0 -0.974 360.0 360.0-155.5 360.0 12.7 -7.2 -9.3