==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 31-AUG-99 1CXY . COMPND 2 MOLECULE: CYTOCHROME B5; . SOURCE 2 ORGANISM_SCIENTIFIC: ECTOTHIORHODOSPIRA SHAPOSHNIKOVII; . AUTHOR V.KOSTANJEVECKI,D.LEYS,G.VAN DRIESSCHE,T.E.MEYER, . 81 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 16.0 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 . 2 2.5 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 . 4 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 19.8 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 1 0 1 0 0 1 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 . 2 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 T 0 0 191 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.4 48.1 10.6 26.6 2 7 A L - 0 0 78 1,-0.1 77,-0.1 77,-0.1 78,-0.1 -0.470 360.0-117.2 -64.2 132.0 44.6 11.5 25.7 3 8 A P - 0 0 69 0, 0.0 77,-2.6 0, 0.0 2,-0.5 -0.198 26.4-132.1 -55.9 150.8 41.9 10.6 28.3 4 9 A V B -a 80 0A 104 75,-0.2 2,-0.3 22,-0.0 77,-0.2 -0.945 26.6-178.2-113.8 132.8 39.4 8.1 27.2 5 10 A F - 0 0 29 75,-2.9 2,-0.3 -2,-0.5 74,-0.0 -0.809 19.1-132.3-120.9 164.9 35.7 8.7 27.7 6 11 A T > - 0 0 60 -2,-0.3 4,-2.2 75,-0.2 3,-0.5 -0.741 30.7-110.4-107.1 168.9 32.5 6.8 27.0 7 12 A L H > S+ 0 0 70 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.826 119.1 60.5 -63.6 -29.7 29.3 8.1 25.3 8 13 A E H 4 S+ 0 0 139 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.865 105.2 46.5 -64.8 -38.0 27.6 7.9 28.7 9 14 A Q H >4 S+ 0 0 87 -3,-0.5 3,-1.6 2,-0.2 4,-0.3 0.931 110.6 52.2 -69.1 -44.3 30.1 10.3 30.2 10 15 A V H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.3 10,-0.4 0.912 102.1 62.0 -57.2 -36.8 29.8 12.7 27.3 11 16 A A T 3< S+ 0 0 35 -4,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.653 90.2 67.1 -66.8 -15.3 26.0 12.6 27.8 12 17 A E T < S+ 0 0 142 -3,-1.6 2,-0.6 -4,-0.4 -1,-0.3 0.584 94.3 61.6 -75.9 -14.2 26.3 14.1 31.4 13 18 A H < + 0 0 39 -3,-1.9 7,-2.3 -4,-0.3 36,-0.6 -0.635 67.8 131.0-113.7 76.1 27.5 17.3 29.7 14 19 A H E +E 19 0B 114 -2,-0.6 5,-0.2 -3,-0.2 34,-0.1 0.103 42.2 81.3-121.3 26.0 24.4 18.1 27.8 15 20 A S E > S-E 18 0B 39 3,-2.0 3,-2.0 -3,-0.1 34,-0.1 -0.844 84.4-104.4-128.8 167.6 23.5 21.7 28.4 16 21 A P T 3 S+ 0 0 71 0, 0.0 3,-0.3 0, 0.0 18,-0.2 0.862 122.5 46.8 -58.4 -33.2 24.6 25.2 27.1 17 22 A D T 3 S+ 0 0 131 1,-0.3 2,-0.1 17,-0.1 14,-0.0 0.416 126.6 27.6 -91.9 8.0 26.6 25.8 30.3 18 23 A D E < S+E 15 0B 61 -3,-2.0 -3,-2.0 13,-0.1 2,-0.6 -0.593 81.3 165.2-165.8 77.7 28.2 22.3 30.3 19 24 A a E +E 14 0B 0 -3,-0.3 11,-2.1 -5,-0.2 12,-0.6 -0.905 6.2 165.2-116.9 104.1 28.5 21.1 26.7 20 25 A W E -B 29 0A 34 -7,-2.3 29,-3.4 -2,-0.6 30,-0.4 -0.811 12.0-171.8-109.1 151.7 30.6 18.2 25.5 21 26 A M E -B 28 0A 8 7,-2.1 7,-2.6 -2,-0.3 2,-0.5 -0.984 20.5-137.9-136.5 160.1 30.3 16.5 22.2 22 27 A A E +Bc 27 51A 0 28,-2.2 30,-3.1 -2,-0.3 2,-0.4 -0.968 29.1 169.3-114.0 127.5 31.8 13.4 20.5 23 28 A I E > -B 26 0A 4 3,-2.4 3,-1.9 -2,-0.5 58,-0.1 -0.991 68.3 -9.3-138.8 126.8 32.7 13.9 16.8 24 29 A H T 3 S- 0 0 86 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.865 128.8 -54.7 52.3 41.3 34.8 11.4 14.7 25 30 A G T 3 S+ 0 0 34 1,-0.2 56,-2.6 55,-0.1 2,-0.3 0.586 117.1 109.6 72.2 9.1 35.6 9.4 17.8 26 31 A K E < -BD 23 80A 75 -3,-1.9 -3,-2.4 54,-0.3 2,-0.4 -0.857 61.6-134.5-117.8 152.7 37.1 12.4 19.7 27 32 A V E -BD 22 79A 0 52,-3.0 51,-3.2 -2,-0.3 52,-1.5 -0.894 20.8-171.7-112.0 133.8 35.6 14.2 22.7 28 33 A Y E -BD 21 77A 9 -7,-2.6 -7,-2.1 -2,-0.4 2,-0.9 -0.978 23.1-143.8-127.5 140.7 35.5 18.0 22.9 29 34 A D E +B 20 0A 51 47,-2.4 -9,-0.2 -2,-0.4 4,-0.2 -0.863 28.4 169.8-104.1 95.5 34.5 20.4 25.8 30 35 A L >> + 0 0 5 -11,-2.1 4,-1.8 -2,-0.9 3,-0.7 0.355 37.6 112.8 -95.1 10.5 32.7 23.1 23.8 31 36 A T T 34 S+ 0 0 35 -12,-0.6 3,-0.4 1,-0.3 -1,-0.2 0.898 80.5 45.5 -50.4 -49.6 31.3 25.0 26.7 32 37 A P T 34 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.844 112.3 53.5 -65.9 -28.6 33.5 28.2 26.2 33 38 A Y T X4 S+ 0 0 34 -3,-0.7 3,-2.4 1,-0.2 4,-0.5 0.814 83.4 91.5 -79.5 -24.8 32.8 28.1 22.4 34 39 A V G >< S+ 0 0 27 -4,-1.8 3,-1.7 -3,-0.4 -1,-0.2 0.796 86.6 44.1 -36.3 -59.7 28.9 28.0 22.7 35 40 A P G 3 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.648 111.4 56.8 -69.3 -12.9 28.2 31.7 22.6 36 41 A N G < S+ 0 0 109 -3,-2.4 -2,-0.2 -4,-0.2 -3,-0.1 0.444 72.7 121.2 -95.9 -6.6 30.7 32.2 19.7 37 42 A H < - 0 0 56 -3,-1.7 5,-0.1 -4,-0.5 6,-0.1 -0.510 58.6-134.4 -63.4 127.8 29.2 29.8 17.2 38 43 A P + 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.120 61.9 42.4 -71.7 171.3 28.2 31.6 14.0 39 44 A G S S+ 0 0 61 3,-0.1 3,-0.1 4,-0.0 4,-0.0 -0.277 101.7 0.2 89.5-171.7 24.8 31.1 12.2 40 45 A P S > S- 0 0 100 0, 0.0 3,-1.4 0, 0.0 -3,-0.0 -0.199 90.2 -90.8 -55.5 133.6 21.3 30.7 13.5 41 46 A A T 3 S+ 0 0 105 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 -0.126 101.7 4.1 -50.2 133.3 21.0 31.0 17.3 42 47 A G T 3> S+ 0 0 42 -5,-0.1 4,-0.7 -8,-0.1 -1,-0.2 0.450 78.4 130.3 70.3 17.6 21.3 27.8 19.2 43 48 A M T <4 S+ 0 0 78 -3,-1.4 4,-0.2 1,-0.2 3,-0.2 0.794 77.3 48.6 -69.1 -31.3 22.0 25.2 16.4 44 49 A M T >4 S+ 0 0 27 1,-0.2 3,-2.1 2,-0.1 4,-0.4 0.864 96.4 73.9 -79.1 -28.0 24.9 23.6 18.3 45 50 A L G >4 S+ 0 0 64 1,-0.3 3,-1.6 2,-0.2 -2,-0.2 0.839 84.3 63.8 -59.0 -31.1 23.0 23.4 21.5 46 51 A V G 3< S+ 0 0 97 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.739 104.0 50.9 -64.5 -20.2 20.8 20.4 20.4 47 52 A W G X S+ 0 0 75 -3,-2.1 3,-2.4 -4,-0.2 -1,-0.3 0.502 75.0 125.1 -98.4 -1.1 24.0 18.4 20.1 48 53 A a T < S+ 0 0 6 -3,-1.6 -27,-0.2 -4,-0.4 -34,-0.2 -0.314 83.0 15.5 -59.8 134.9 25.5 19.0 23.6 49 54 A G T 3 S+ 0 0 1 -29,-3.4 2,-0.3 -36,-0.6 -1,-0.3 0.418 112.8 103.5 83.6 3.9 26.1 15.7 25.3 50 55 A Q S < S- 0 0 97 -3,-2.4 -28,-2.2 -30,-0.4 2,-0.5 -0.765 82.6-103.2-118.1 164.2 25.8 13.7 22.0 51 56 A E B +c 22 0A 71 -2,-0.3 -28,-0.2 -30,-0.2 3,-0.1 -0.680 48.1 172.8 -73.2 117.8 27.7 11.9 19.3 52 57 A S > + 0 0 3 -30,-3.1 4,-2.4 -2,-0.5 5,-0.2 0.070 28.2 125.7-128.3 24.8 27.3 14.6 16.7 53 58 A T H > S+ 0 0 29 -31,-0.3 4,-2.6 1,-0.2 5,-0.2 0.904 77.1 49.5 -56.5 -46.3 29.4 13.6 13.6 54 59 A E H > S+ 0 0 155 1,-0.2 4,-1.7 2,-0.2 6,-0.4 0.933 112.0 47.8 -61.1 -45.2 26.6 13.9 11.1 55 60 A A H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 113.2 49.7 -61.1 -40.9 25.6 17.4 12.3 56 61 A W H < S+ 0 0 44 -4,-2.4 9,-0.6 1,-0.2 -1,-0.2 0.877 113.2 46.2 -60.8 -45.0 29.3 18.4 12.2 57 62 A E H < S+ 0 0 89 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.750 129.5 20.5 -70.5 -29.4 29.7 17.1 8.7 58 63 A T H >X>S- 0 0 46 -4,-1.7 4,-2.8 -5,-0.2 5,-2.1 0.434 86.7-129.1-117.8 -10.8 26.6 18.6 7.2 59 64 A K T 3<5 - 0 0 70 -4,-2.1 -4,-0.2 1,-0.3 -3,-0.1 0.744 68.0 -79.2 60.4 17.7 25.5 21.5 9.4 60 65 A S T 345S+ 0 0 73 -6,-0.4 -1,-0.3 -5,-0.2 -5,-0.1 0.434 132.4 58.3 66.6 9.8 22.2 19.6 9.2 61 66 A Y T <45S- 0 0 184 -3,-1.9 -2,-0.2 2,-0.2 -1,-0.1 0.472 121.5 -79.3-138.5 -11.0 21.3 21.1 5.8 62 67 A G T <5S+ 0 0 64 -4,-2.8 -3,-0.2 1,-0.3 -4,-0.1 0.759 88.6 107.3 115.7 37.0 24.2 20.0 3.5 63 68 A E < - 0 0 21 -5,-2.1 -1,-0.3 3,-0.0 -2,-0.2 -0.989 57.2-132.2-138.1 135.2 27.3 22.2 3.9 64 69 A P - 0 0 91 0, 0.0 2,-0.2 0, 0.0 -7,-0.1 -0.327 28.5-100.4 -76.3 163.4 30.5 21.1 5.6 65 70 A H - 0 0 42 -9,-0.6 5,-0.0 1,-0.1 -9,-0.0 -0.619 47.0-109.3 -76.2 146.2 32.4 23.1 8.2 66 71 A S > - 0 0 62 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.155 23.4-105.8 -69.9 173.1 35.3 24.9 6.8 67 72 A S H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.894 124.8 55.5 -65.0 -39.4 39.0 24.1 7.4 68 73 A L H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.946 107.7 48.4 -56.2 -50.6 39.0 27.2 9.7 69 74 A A H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.879 108.2 54.5 -59.7 -36.5 36.1 25.7 11.7 70 75 A A H X S+ 0 0 46 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.898 107.9 49.6 -68.1 -33.6 37.9 22.3 11.9 71 76 A R H X S+ 0 0 166 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.900 111.5 49.2 -68.8 -38.8 41.0 24.1 13.4 72 77 A L H X S+ 0 0 77 -4,-2.1 4,-0.6 -5,-0.2 3,-0.4 0.923 109.2 52.2 -67.4 -40.8 38.8 25.8 15.9 73 78 A L H >< S+ 0 0 17 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.930 103.6 58.1 -59.4 -45.0 37.0 22.5 16.8 74 79 A Q H >< S+ 0 0 138 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.832 93.5 66.1 -59.7 -30.9 40.4 20.8 17.5 75 80 A R H 3< S+ 0 0 96 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.806 98.8 53.8 -57.5 -30.8 41.3 23.4 20.1 76 81 A Y T << S+ 0 0 55 -3,-1.8 -47,-2.4 -4,-0.6 -1,-0.3 0.347 79.8 131.9 -91.6 11.1 38.5 22.2 22.4 77 82 A L E < + D 0 28A 50 -3,-1.9 -49,-0.3 -49,-0.2 3,-0.1 -0.288 21.5 164.4 -59.1 135.1 39.7 18.5 22.2 78 83 A I E - 0 0 47 -51,-3.2 2,-0.3 1,-0.4 -50,-0.2 0.506 58.2 -43.0-126.8 -11.7 39.8 16.8 25.6 79 84 A G E - D 0 27A 0 -52,-1.5 -52,-3.0 -77,-0.1 -1,-0.4 -0.986 60.3 -75.4 174.1-170.6 40.1 13.1 24.8 80 85 A T E aD 4 26A 44 -77,-2.6 -75,-2.9 -2,-0.3 -54,-0.3 -0.763 360.0 360.0-113.9 164.5 39.0 10.1 22.7 81 86 A L 0 0 71 -56,-2.6 -75,-0.2 -2,-0.3 -77,-0.0 -0.834 360.0 360.0 -96.6 360.0 35.8 8.0 22.7