==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 06-SEP-02 1MNY . COMPND 2 MOLECULE: CYTOCHROME B5; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR L.BANCI,I.BERTINI,B.R.BRANCHINI,P.HAJIEVA,G.A.SPYROULIAS, . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 8.5 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 1.1 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 . 10 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 4 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 D 0 0 176 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 8.2 11.3 12.0 9.1 2 2 A K + 0 0 184 1,-0.2 2,-0.4 0, 0.0 0, 0.0 0.429 360.0 45.1-134.2 -60.8 13.6 13.8 6.6 3 3 A D S S- 0 0 111 1,-0.0 -1,-0.2 3,-0.0 2,-0.2 -0.818 70.5-114.0-128.3 141.7 13.0 12.2 3.3 4 4 A V - 0 0 74 -2,-0.4 2,-0.9 1,-0.1 73,-0.1 -0.473 30.8-143.4 -46.5 129.1 10.8 10.8 0.7 5 5 A K - 0 0 95 -2,-0.2 73,-0.9 24,-0.1 2,-0.7 -0.676 24.7-166.9-101.6 68.1 11.5 7.1 0.7 6 6 A Y E -a 78 0A 76 -2,-0.9 2,-0.4 71,-0.2 73,-0.2 -0.526 4.0-166.4 -59.7 107.7 11.0 7.2 -3.1 7 7 A Y E -a 79 0A 67 71,-2.2 73,-2.1 -2,-0.7 2,-0.1 -0.849 17.2-124.7-104.5 134.5 10.7 3.5 -4.0 8 8 A T > - 0 0 48 -2,-0.4 4,-1.8 71,-0.2 5,-0.2 -0.388 21.8-117.6 -72.2 156.1 11.0 2.3 -7.6 9 9 A L H > S+ 0 0 60 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.826 116.1 58.9 -69.1 -26.4 8.2 0.3 -9.0 10 10 A E H 4 S+ 0 0 144 2,-0.2 4,-0.4 1,-0.1 -1,-0.2 0.944 105.1 50.1 -56.4 -51.7 10.7 -2.6 -9.5 11 11 A E H >4 S+ 0 0 92 1,-0.2 3,-2.2 2,-0.2 4,-0.3 0.975 111.3 45.8 -55.5 -62.8 11.4 -2.6 -5.8 12 12 A I H >< S+ 0 0 5 -4,-1.8 3,-1.9 1,-0.3 10,-0.3 0.781 99.7 69.5 -51.5 -34.2 7.8 -2.7 -4.6 13 13 A Q T 3< S+ 0 0 121 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.635 93.3 59.2 -67.2 -11.3 6.8 -5.4 -7.1 14 14 A K T X S+ 0 0 137 -3,-2.2 2,-1.8 -4,-0.4 3,-0.5 0.678 82.1 93.3 -82.2 -20.0 8.9 -7.9 -5.1 15 15 A H T < + 0 0 38 -3,-1.9 7,-0.9 -4,-0.3 36,-0.2 -0.451 64.3 69.6 -92.0 71.5 6.9 -7.4 -1.9 16 16 A K T 3 + 0 0 109 -2,-1.8 -1,-0.2 5,-0.2 5,-0.1 0.201 65.9 99.7-155.9 16.4 4.2 -10.1 -1.9 17 17 A D S < S- 0 0 144 -3,-0.5 -2,-0.1 3,-0.4 4,-0.1 0.818 102.0 -33.3 -86.4 -35.6 6.1 -13.3 -1.4 18 18 A S S S- 0 0 92 2,-0.3 3,-0.1 0, 0.0 -3,-0.1 0.464 120.2 -16.0-155.6 -52.2 5.8 -14.2 2.3 19 19 A K S S+ 0 0 159 1,-0.3 2,-0.3 17,-0.0 17,-0.1 0.495 103.0 84.7-143.8 -64.2 5.5 -11.4 4.8 20 20 A S + 0 0 64 -6,-0.1 -3,-0.4 14,-0.0 2,-0.4 -0.438 53.8 167.8 -61.0 115.9 6.7 -8.0 3.4 21 21 A T - 0 0 4 -2,-0.3 11,-1.8 -5,-0.1 12,-0.4 -0.994 12.8-177.1-138.8 126.9 3.7 -6.5 1.6 22 22 A W E -B 31 0B 13 -7,-0.9 29,-2.5 -2,-0.4 30,-0.3 -0.879 6.2-164.4-118.8 151.3 3.5 -2.9 0.4 23 23 A V E -B 30 0B 6 7,-2.5 7,-2.3 -2,-0.3 2,-0.5 -0.998 14.6-133.6-145.2 134.3 0.4 -1.5 -1.3 24 24 A I E +Bc 29 53B 11 28,-1.6 30,-0.9 25,-0.5 31,-0.5 -0.816 20.5 178.7-106.7 130.5 0.2 1.8 -3.3 25 25 A L S S- 0 0 13 3,-2.1 28,-0.1 -2,-0.5 4,-0.0 -0.771 71.7 -28.9-135.5 82.8 -2.5 4.4 -2.7 26 26 A H S S- 0 0 90 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.995 125.1 -38.0 68.1 76.3 -2.2 7.5 -4.9 27 27 A H S S+ 0 0 74 1,-0.2 2,-0.3 51,-0.1 -1,-0.1 0.844 117.8 109.9 47.6 41.2 1.5 7.9 -5.6 28 28 A K - 0 0 82 50,-0.2 -3,-2.1 2,-0.0 2,-0.7 -0.985 63.5-140.4-144.1 132.2 2.3 6.8 -2.0 29 29 A V E -BD 24 77B 1 48,-1.3 47,-2.5 -2,-0.3 48,-0.7 -0.874 21.5-165.9 -93.2 112.9 3.9 3.5 -1.0 30 30 A Y E -BD 23 75B 19 -7,-2.3 -7,-2.5 -2,-0.7 2,-0.7 -0.899 12.7-143.0-100.6 127.9 2.1 2.3 2.2 31 31 A D E +B 22 0B 45 43,-2.4 -9,-0.2 -2,-0.5 3,-0.1 -0.837 27.7 166.6 -89.7 121.0 3.8 -0.5 4.1 32 32 A L > + 0 0 18 -11,-1.8 3,-1.6 -2,-0.7 -10,-0.2 0.075 37.8 117.0-123.2 23.1 1.1 -2.8 5.5 33 33 A T G > S+ 0 0 42 -12,-0.4 3,-0.9 1,-0.3 2,-0.8 0.963 88.1 41.4 -50.9 -54.7 3.3 -5.7 6.5 34 34 A K G 3 S+ 0 0 166 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 -0.328 112.9 58.1 -90.3 52.5 2.2 -5.0 10.1 35 35 A F G < S+ 0 0 51 -3,-1.6 4,-0.4 -2,-0.8 -1,-0.2 0.137 71.6 103.5-157.8 26.5 -1.4 -4.4 8.9 36 36 A L S X S+ 0 0 25 -3,-0.9 3,-1.3 2,-0.2 6,-0.3 0.965 101.5 11.3 -72.0 -83.2 -2.3 -7.7 7.2 37 37 A E T 3 S+ 0 0 174 1,-0.3 4,-0.2 4,-0.1 5,-0.1 0.801 124.5 67.6 -65.8 -27.6 -4.6 -9.5 9.7 38 38 A E T 3 S+ 0 0 129 2,-0.1 -1,-0.3 3,-0.1 -2,-0.2 0.739 79.8 96.7 -61.2 -24.8 -4.7 -6.2 11.6 39 39 A H S X S- 0 0 28 -3,-1.3 2,-1.6 -4,-0.4 3,-1.2 -0.574 86.2-124.7 -67.3 125.5 -6.7 -4.8 8.7 40 40 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.533 99.5 52.8 -75.8 87.7 -10.4 -5.0 9.5 41 41 A G T 3 S- 0 0 67 -2,-1.6 2,-0.3 1,-0.2 -4,-0.1 0.072 117.1 -78.5 175.5 -42.6 -11.5 -7.0 6.4 42 42 A G < - 0 0 36 -3,-1.2 -1,-0.2 -6,-0.3 -3,-0.2 -0.894 44.3 -97.7 163.4-123.9 -9.2 -10.0 6.3 43 43 A E S >> S+ 0 0 61 -2,-0.3 3,-2.1 -5,-0.1 4,-1.0 0.228 106.5 57.3-149.7 -65.4 -5.6 -10.3 5.1 44 44 A E H 3> S+ 0 0 108 1,-0.3 4,-1.6 2,-0.2 -2,-0.0 0.769 92.0 74.7 -54.2 -32.5 -5.3 -11.5 1.5 45 45 A V H 34 S+ 0 0 84 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.817 99.6 44.3 -52.1 -37.2 -7.5 -8.6 0.2 46 46 A L H X4 S+ 0 0 22 -3,-2.1 3,-1.7 1,-0.2 -1,-0.3 0.907 109.8 56.2 -70.4 -42.5 -4.6 -6.2 0.7 47 47 A R H >< S+ 0 0 95 -4,-1.0 3,-2.1 1,-0.3 -2,-0.2 0.749 86.2 82.2 -60.1 -24.8 -2.3 -8.8 -0.9 48 48 A E T 3< S+ 0 0 138 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.732 109.3 23.3 -53.1 -27.9 -4.6 -8.7 -4.0 49 49 A Q T X S+ 0 0 63 -3,-1.7 3,-1.1 -4,-0.2 -25,-0.5 -0.139 89.8 151.7-131.7 37.6 -2.7 -5.6 -5.1 50 50 A A T < + 0 0 11 -3,-2.1 -27,-0.2 1,-0.2 3,-0.1 -0.491 68.9 16.0 -69.5 139.3 0.6 -6.1 -3.2 51 51 A G T 3 S+ 0 0 8 -29,-2.5 2,-0.3 1,-0.2 -1,-0.2 0.780 129.8 15.9 69.0 31.1 3.6 -4.5 -4.9 52 52 A G S < S+ 0 0 13 -3,-1.1 -28,-1.6 -30,-0.3 2,-1.4 -0.915 102.5 16.9 174.6-148.9 1.5 -2.3 -7.2 53 53 A D B +c 24 0B 120 -2,-0.3 4,-0.3 1,-0.2 -28,-0.1 -0.337 54.0 138.5 -66.8 82.8 -1.8 -0.6 -8.2 54 54 A A + 0 0 6 -2,-1.4 -1,-0.2 -30,-0.9 5,-0.2 0.556 48.7 93.6 -99.3 -8.5 -4.0 -0.8 -5.1 55 55 A T S >> S+ 0 0 37 -31,-0.5 4,-2.3 1,-0.2 3,-1.6 0.910 89.4 38.1 -45.7 -64.9 -5.3 2.8 -5.7 56 56 A E H 3> S+ 0 0 162 1,-0.3 4,-1.2 2,-0.2 5,-0.2 0.932 115.5 56.7 -62.9 -37.1 -8.4 2.1 -7.7 57 57 A N H 34 S+ 0 0 99 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.099 116.1 35.2 -81.0 26.7 -9.0 -1.0 -5.4 58 58 A F H <>>S+ 0 0 30 -3,-1.6 4,-0.6 -2,-0.1 5,-0.5 0.492 112.3 48.4-142.1 -52.1 -9.0 1.1 -2.3 59 59 A E H ><5S+ 0 0 73 -4,-2.3 3,-1.5 1,-0.2 -3,-0.1 0.894 107.8 59.5 -67.2 -36.4 -10.6 4.6 -2.8 60 60 A D T 3<5S+ 0 0 144 -4,-1.2 -1,-0.2 -5,-0.4 -3,-0.1 0.859 94.6 63.2 -54.0 -39.7 -13.5 2.9 -4.5 61 61 A V T 345S- 0 0 92 -3,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 0.729 97.6-148.0 -64.9 -21.9 -14.2 1.0 -1.3 62 62 A G T <<5 - 0 0 54 -3,-1.5 -3,-0.1 -4,-0.6 -2,-0.1 0.881 17.8-171.0 63.3 47.0 -14.8 4.4 0.2 63 63 A H < - 0 0 81 -5,-0.5 2,-0.3 1,-0.1 -4,-0.1 0.813 42.5 -76.7 -40.8 -69.9 -13.5 3.5 3.7 64 64 A S - 0 0 67 2,-0.0 4,-0.2 0, 0.0 -1,-0.1 -0.920 35.5 -95.5-172.2-168.5 -14.4 6.5 5.7 65 65 A T S S+ 0 0 133 -2,-0.3 -2,-0.0 3,-0.1 -3,-0.0 0.014 120.0 40.7-113.2 25.6 -13.2 10.2 6.2 66 66 A D S > S+ 0 0 114 3,-0.0 4,-1.2 0, 0.0 3,-0.0 0.519 111.1 48.5-133.9 -45.9 -11.2 9.2 9.3 67 67 A A H > S+ 0 0 47 1,-0.2 4,-0.7 2,-0.2 -2,-0.1 0.834 103.4 59.3 -77.7 -38.2 -9.5 5.8 8.6 68 68 A R H >4 S+ 0 0 115 -4,-0.2 3,-0.8 1,-0.2 4,-0.2 0.878 104.1 53.8 -63.1 -31.6 -8.1 6.7 5.2 69 69 A E H >4 S+ 0 0 143 1,-0.2 3,-2.4 2,-0.2 4,-0.3 0.922 96.1 67.4 -65.0 -39.3 -6.2 9.5 6.9 70 70 A L H >< S+ 0 0 102 -4,-1.2 3,-1.4 1,-0.3 4,-0.3 0.756 82.6 76.5 -50.4 -27.3 -4.7 6.9 9.4 71 71 A S G X< S+ 0 0 22 -3,-0.8 3,-1.8 -4,-0.7 4,-0.3 0.754 77.5 75.0 -56.6 -26.8 -2.8 5.4 6.4 72 72 A K G X S+ 0 0 147 -3,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.845 86.4 59.2 -61.0 -33.8 -0.3 8.3 6.6 73 73 A T G < S+ 0 0 126 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.650 109.2 47.4 -68.1 -11.6 1.4 6.8 9.8 74 74 A Y G < S+ 0 0 86 -3,-1.8 -43,-2.4 -4,-0.3 2,-0.4 0.328 78.7 124.6-110.0 -0.9 2.1 3.8 7.5 75 75 A I E < +D 30 0B 63 -3,-1.2 -45,-0.2 -4,-0.3 3,-0.1 -0.515 30.4 175.4 -59.5 121.4 3.5 5.7 4.5 76 76 A I E - 0 0 47 -47,-2.5 2,-0.3 -2,-0.4 -46,-0.2 0.157 61.6 -58.9-108.7 11.7 6.9 4.3 3.9 77 77 A G E -D 29 0B 5 -48,-0.7 -48,-1.3 -73,-0.1 2,-0.3 -0.993 52.6-102.9 149.4-158.3 7.4 6.4 0.7 78 78 A E E -a 6 0A 54 -73,-0.9 -71,-2.2 -50,-0.3 -50,-0.2 -0.925 55.0 -52.7-162.5 171.9 6.0 7.2 -2.7 79 79 A L E -a 7 0A 15 -2,-0.3 -71,-0.2 -73,-0.2 -73,-0.1 -0.375 68.3 -99.1 -60.5 129.5 6.7 6.3 -6.4 80 80 A H > - 0 0 61 -73,-2.1 4,-2.6 1,-0.1 5,-0.2 -0.202 30.5-126.2 -49.7 134.1 10.3 7.1 -7.4 81 81 A P H > S+ 0 0 53 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.599 105.1 62.9 -72.7 -14.4 10.4 10.5 -9.1 82 82 A D H >> S+ 0 0 117 2,-0.2 3,-1.0 3,-0.1 4,-0.7 0.987 114.5 31.8 -63.7 -65.6 12.2 9.1 -12.2 83 83 A D H >> S+ 0 0 57 1,-0.3 4,-1.3 2,-0.2 3,-1.0 0.876 121.2 53.3 -56.9 -39.8 9.3 6.8 -13.1 84 84 A R H 3< S+ 0 0 114 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.690 98.1 61.6 -81.9 -13.9 6.8 9.3 -11.6 85 85 A S H << S+ 0 0 91 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.685 105.0 53.7 -68.3 -21.7 8.3 12.1 -13.8 86 86 A K H X< S+ 0 0 121 -3,-1.0 3,-1.8 -4,-0.7 2,-0.6 0.817 82.7 85.5 -88.6 -30.4 7.1 9.7 -16.6 87 87 A I T 3< + 0 0 66 -4,-1.3 5,-0.0 1,-0.2 0, 0.0 -0.642 69.6 80.8 -67.6 117.6 3.5 9.4 -15.3 88 88 A A T 3 S+ 0 0 88 -2,-0.6 -1,-0.2 0, 0.0 -2,-0.1 -0.379 105.4 30.2 160.6 -61.0 2.6 12.5 -17.2 89 89 A K S < S- 0 0 117 -3,-1.8 2,-1.2 2,-0.2 -4,-0.0 -0.854 79.1-157.8-114.0 94.2 2.3 10.4 -20.2 90 90 A P + 0 0 94 0, 0.0 -3,-0.1 0, 0.0 2,-0.0 -0.924 55.6 129.4 -67.8 97.5 1.3 7.0 -19.3 91 91 A S + 0 0 59 -2,-1.2 -2,-0.2 -5,-0.0 0, 0.0 -0.728 45.0 177.3 -45.3 86.6 2.6 5.8 -22.1 92 92 A E - 0 0 122 2,-0.1 -5,-0.0 -4,-0.1 -6,-0.0 0.812 10.1-178.3 -45.3 -38.8 3.7 3.8 -19.1 93 93 A T 0 0 105 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.276 360.0 360.0 -58.0 116.3 5.5 1.7 -21.3 94 94 A L 0 0 197 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.978 360.0 360.0-156.2 360.0 6.9 -0.5 -19.7