==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 22-OCT-97 2AXX . COMPND 2 MOLECULE: CYTOCHROME B5; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR F.ARNESANO,L.BANCI,I.BERTINI,I.C.FELLI . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7504.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 13.8 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 2.1 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 . 11 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 22.3 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+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 1 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 RESIDUES PER ALPHA HELIX . 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 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 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 0 181 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.2 5.0 -14.6 -11.8 2 2 A K + 0 0 197 1,-0.2 0, 0.0 4,-0.1 0, 0.0 0.799 360.0 70.9 43.2 51.8 6.7 -11.3 -12.7 3 3 A D S S+ 0 0 126 3,-0.0 -1,-0.2 0, 0.0 0, 0.0 0.144 107.8 12.3-147.9 -85.2 3.9 -10.1 -14.9 4 4 A V S S- 0 0 65 -3,-0.1 74,-0.1 2,-0.0 -2,-0.0 0.706 91.0-131.7 -80.4 -24.7 0.6 -9.0 -13.2 5 5 A K - 0 0 93 1,-0.2 73,-2.5 72,-0.2 2,-0.6 0.980 32.7-175.8 63.2 63.3 2.2 -9.0 -9.7 6 6 A Y E -a 78 0A 95 71,-0.2 2,-0.4 73,-0.0 -1,-0.2 -0.817 2.7-179.8 -90.4 119.5 -0.5 -11.1 -8.0 7 7 A Y E -a 79 0A 65 71,-2.1 73,-2.5 -2,-0.6 2,-0.1 -0.953 21.8-129.2-122.4 140.8 0.2 -11.4 -4.2 8 8 A T > - 0 0 53 -2,-0.4 4,-2.8 71,-0.2 5,-0.3 -0.475 29.2-107.8 -83.3 158.3 -2.0 -13.2 -1.6 9 9 A L H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.931 119.9 44.3 -52.9 -54.7 -3.1 -11.6 1.7 10 10 A E H 4 S+ 0 0 126 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.907 111.6 54.4 -61.5 -41.6 -0.8 -13.6 3.9 11 11 A E H >4 S+ 0 0 89 1,-0.2 3,-2.4 2,-0.2 -1,-0.2 0.963 110.3 45.6 -54.3 -53.1 2.1 -13.1 1.4 12 12 A I H >< S+ 0 0 1 -4,-2.8 3,-2.6 1,-0.3 -1,-0.2 0.891 102.4 66.4 -61.5 -34.2 1.6 -9.3 1.6 13 13 A Q T 3< S+ 0 0 124 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.446 98.8 54.4 -64.5 0.8 1.4 -9.7 5.4 14 14 A K T < S+ 0 0 143 -3,-2.4 2,-0.8 -5,-0.2 -1,-0.3 0.209 84.2 92.7-114.3 11.6 5.1 -10.7 5.1 15 15 A H < + 0 0 38 -3,-2.6 7,-1.4 1,-0.2 36,-0.7 -0.671 52.4 95.4-106.2 76.1 6.1 -7.5 3.3 16 16 A K E +D 21 0B 141 -2,-0.8 5,-0.2 5,-0.2 -1,-0.2 -0.034 52.0 133.7-145.5 31.2 7.1 -5.2 6.2 17 17 A D E > S-D 20 0B 116 3,-0.7 3,-1.2 1,-0.2 2,-0.6 0.099 72.4 -56.9 -71.8-172.4 10.9 -5.8 6.2 18 18 A S T 3 S- 0 0 95 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 -0.630 127.9 -5.1 -67.4 115.9 13.6 -3.2 6.5 19 19 A K T 3 S+ 0 0 157 -2,-0.6 -1,-0.3 -3,-0.1 -2,-0.1 0.883 113.4 100.6 62.0 44.2 13.0 -0.8 3.6 20 20 A S E < +D 17 0B 47 -3,-1.2 -3,-0.7 13,-0.1 2,-0.6 -0.536 41.9 161.1-154.7 73.0 10.2 -2.9 2.2 21 21 A T E +D 16 0B 0 -5,-0.2 11,-1.9 29,-0.1 2,-0.2 -0.916 10.7 174.9-107.6 112.0 6.8 -1.4 3.2 22 22 A W E -B 31 0A 18 -7,-1.4 29,-2.0 -2,-0.6 2,-0.3 -0.707 10.0-169.4-108.6 162.3 3.9 -2.5 1.1 23 23 A V E -B 30 0A 2 7,-2.0 7,-2.9 -2,-0.2 2,-0.9 -0.961 18.7-143.6-156.2 137.1 0.1 -1.7 1.5 24 24 A I E -B 29 0A 8 28,-2.1 31,-0.4 -2,-0.3 2,-0.3 -0.674 22.9-168.8-105.9 75.5 -2.9 -3.2 -0.2 25 25 A L E > -B 28 0A 11 -2,-0.9 3,-1.9 3,-0.6 2,-1.2 -0.522 65.7 -35.1 -72.1 124.9 -5.2 -0.2 -0.6 26 26 A H T 3 S- 0 0 70 -2,-0.3 29,-0.1 1,-0.3 -2,-0.1 -0.480 128.4 -31.4 66.0 -91.0 -8.7 -1.4 -1.6 27 27 A H T 3 S+ 0 0 83 -2,-1.2 52,-1.0 52,-0.0 2,-0.4 -0.063 118.8 91.5-146.1 31.6 -7.8 -4.3 -3.8 28 28 A K E < -BC 25 78A 70 -3,-1.9 2,-0.6 50,-0.2 -3,-0.6 -0.997 68.9-130.6-135.8 136.5 -4.4 -3.1 -5.3 29 29 A V E -BC 24 77A 0 48,-1.8 47,-2.4 -2,-0.4 48,-2.1 -0.801 27.7-171.8 -92.9 115.4 -0.9 -3.8 -3.9 30 30 A Y E -BC 23 75A 20 -7,-2.9 -7,-2.0 -2,-0.6 2,-0.6 -0.900 15.3-146.3-109.2 136.1 1.1 -0.5 -3.8 31 31 A D E +B 22 0A 43 43,-1.8 -9,-0.2 -2,-0.4 3,-0.1 -0.928 22.4 169.6-102.0 121.9 4.8 -0.4 -2.9 32 32 A L >> + 0 0 12 -11,-1.9 3,-2.1 -2,-0.6 4,-0.9 0.062 38.0 120.1-119.7 22.0 5.7 2.8 -1.0 33 33 A T G >4 S+ 0 0 22 1,-0.3 3,-0.7 2,-0.2 4,-0.2 0.910 85.9 36.0 -53.3 -50.9 9.3 1.7 -0.1 34 34 A K G 34 S+ 0 0 182 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.157 115.9 59.7 -89.6 18.8 10.8 4.8 -1.9 35 35 A F G <> S+ 0 0 34 -3,-2.1 4,-2.9 3,-0.1 -2,-0.2 0.403 70.7 99.8-121.4 -5.0 7.8 6.9 -0.8 36 36 A L T << S+ 0 0 23 -4,-0.9 6,-0.2 -3,-0.7 10,-0.2 0.947 102.9 19.1 -49.7 -59.7 8.2 6.5 3.0 37 37 A E T 4 S+ 0 0 183 -4,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.912 121.4 61.5 -77.0 -44.5 9.9 9.9 3.3 38 38 A E T 4 S+ 0 0 141 -4,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.828 79.4 104.3 -52.3 -37.4 8.7 11.4 -0.0 39 39 A H S >< S- 0 0 26 -4,-2.9 2,-2.5 -7,-0.2 3,-2.2 -0.302 82.0-126.7 -48.3 116.5 5.1 11.0 1.2 40 40 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.423 106.1 42.5 -71.1 77.1 3.8 14.6 2.1 41 41 A G T 3 S- 0 0 61 -2,-2.5 2,-0.2 -4,-0.3 4,-0.2 0.053 116.7 -93.8 170.1 -35.1 2.8 13.3 5.6 42 42 A G < - 0 0 25 -3,-2.2 4,-0.2 -6,-0.2 -3,-0.1 -0.624 23.9 -91.4 128.9 176.6 5.7 11.1 6.6 43 43 A E S >> S+ 0 0 72 -2,-0.2 4,-2.5 2,-0.1 3,-0.9 0.817 109.6 63.7 -93.7 -44.4 6.9 7.5 6.7 44 44 A E H 3> S+ 0 0 140 1,-0.3 4,-1.0 2,-0.3 -2,-0.1 0.927 100.1 53.5 -56.8 -48.4 5.6 6.4 10.2 45 45 A V H 34 S+ 0 0 80 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.846 115.0 43.9 -50.5 -35.5 2.0 6.7 9.1 46 46 A L H <4 S+ 0 0 24 -3,-0.9 4,-0.4 -4,-0.2 3,-0.3 0.871 116.5 44.3 -75.4 -39.9 3.0 4.5 6.1 47 47 A R H < S+ 0 0 81 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.352 89.4 95.7 -88.0 4.8 5.0 2.0 8.2 48 48 A E S < S- 0 0 118 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.1 0.955 111.0 -8.2 -60.7 -57.8 2.2 1.9 10.9 49 49 A Q S S+ 0 0 127 -4,-0.4 -2,-0.1 -3,-0.3 -3,-0.1 0.822 87.0 167.6-101.8 -64.1 0.5 -1.2 9.6 50 50 A A + 0 0 8 -4,-0.4 -27,-0.2 2,-0.1 -34,-0.1 0.139 54.9 47.7 56.5 172.0 2.2 -2.0 6.3 51 51 A G S S+ 0 0 7 -29,-2.0 2,-0.3 -36,-0.7 -28,-0.2 0.790 107.2 55.9 34.4 61.8 1.6 -5.4 4.5 52 52 A G S S- 0 0 22 -30,-0.1 -28,-2.1 -37,-0.1 2,-1.6 -0.952 107.4 -41.7 166.8 174.3 -2.2 -5.4 4.9 53 53 A D > + 0 0 85 -2,-0.3 3,-0.7 1,-0.2 4,-0.2 -0.510 50.7 168.7 -70.0 88.4 -5.3 -3.4 4.2 54 54 A A T 3> + 0 0 13 -2,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.379 53.1 100.0 -79.8 3.3 -4.2 0.1 5.0 55 55 A T H 3> S+ 0 0 17 -31,-0.4 4,-3.4 2,-0.2 5,-0.4 0.892 71.4 66.0 -54.8 -40.2 -7.4 1.4 3.3 56 56 A E H <> S+ 0 0 132 -3,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.943 112.7 31.2 -44.6 -57.5 -8.8 1.8 6.9 57 57 A N H > S+ 0 0 72 -4,-0.2 4,-1.7 2,-0.2 5,-0.3 0.911 118.0 55.4 -66.0 -49.6 -6.2 4.6 7.6 58 58 A F H X S+ 0 0 27 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.895 116.7 37.5 -52.5 -44.3 -6.0 5.9 4.0 59 59 A E H < S+ 0 0 80 -4,-3.4 -1,-0.2 2,-0.3 -2,-0.2 0.732 101.5 72.4 -81.6 -30.1 -9.8 6.4 4.0 60 60 A D H < S+ 0 0 134 -4,-2.1 -2,-0.2 -5,-0.4 -1,-0.2 0.912 117.6 25.5 -49.0 -41.3 -9.9 7.6 7.6 61 61 A V H < S- 0 0 113 -4,-1.7 2,-1.0 -5,-0.1 -2,-0.3 0.726 99.2-151.8 -89.1 -32.0 -8.2 10.6 6.0 62 62 A G < - 0 0 23 -4,-1.3 -2,-0.1 -5,-0.3 -3,-0.1 -0.313 23.8-141.0 93.6 -51.3 -9.8 10.0 2.6 63 63 A H - 0 0 72 -2,-1.0 2,-0.1 -4,-0.1 -5,-0.0 0.342 23.5 -77.8 67.7 156.2 -6.9 11.7 0.7 64 64 A S >> - 0 0 88 1,-0.1 4,-1.7 4,-0.0 3,-0.8 -0.474 37.8-111.4 -78.7 160.5 -7.4 13.9 -2.4 65 65 A T H 3> S+ 0 0 106 1,-0.3 4,-2.4 2,-0.2 5,-0.4 0.836 116.9 67.4 -58.4 -34.1 -8.1 12.5 -5.9 66 66 A D H 3> S+ 0 0 122 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.926 105.3 42.2 -51.9 -45.9 -4.6 13.7 -6.9 67 67 A A H <> S+ 0 0 34 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.875 108.6 60.8 -69.9 -40.6 -3.2 11.1 -4.5 68 68 A R H X S+ 0 0 108 -4,-1.7 4,-1.0 2,-0.2 3,-0.4 0.957 109.5 39.8 -50.6 -59.1 -5.8 8.4 -5.6 69 69 A E H X S+ 0 0 125 -4,-2.4 4,-1.2 1,-0.2 3,-0.3 0.874 110.8 61.1 -64.3 -31.3 -4.6 8.4 -9.2 70 70 A L H X S+ 0 0 67 -4,-1.5 4,-1.0 -5,-0.4 3,-0.4 0.896 93.4 64.1 -59.1 -40.0 -1.0 8.7 -7.9 71 71 A S H >< S+ 0 0 20 -4,-2.3 3,-1.7 -3,-0.4 4,-0.3 0.931 98.0 56.1 -47.8 -47.6 -1.6 5.3 -6.1 72 72 A K H >< S+ 0 0 150 -4,-1.0 3,-1.8 -3,-0.3 -1,-0.2 0.894 101.9 54.3 -54.0 -44.8 -1.9 3.8 -9.6 73 73 A T H 3< S+ 0 0 113 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.747 112.9 45.2 -58.5 -23.6 1.6 5.2 -10.6 74 74 A Y T << S+ 0 0 59 -3,-1.7 -43,-1.8 -4,-1.0 2,-0.3 0.233 83.9 127.0-105.2 6.2 2.9 3.3 -7.4 75 75 A I E < + C 0 30A 59 -3,-1.8 -45,-0.2 -4,-0.3 3,-0.1 -0.534 24.0 165.5 -67.1 125.7 0.9 0.1 -8.2 76 76 A I E - 0 0 45 -47,-2.4 2,-0.2 1,-0.3 -46,-0.2 0.706 63.6 -21.7-106.4 -33.3 3.3 -2.8 -8.2 77 77 A G E - C 0 29A 3 -48,-2.1 -48,-1.8 -70,-0.0 -1,-0.3 -0.822 61.9-113.3-161.1-173.1 0.8 -5.7 -8.0 78 78 A E E -aC 6 28A 45 -73,-2.5 -71,-2.1 -50,-0.3 -50,-0.2 -0.945 40.8 -81.6-142.6 155.6 -2.8 -6.6 -7.1 79 79 A L E -a 7 0A 11 -52,-1.0 -71,-0.2 -2,-0.3 5,-0.1 -0.425 66.9 -86.9 -60.9 132.7 -4.6 -8.8 -4.6 80 80 A H > - 0 0 58 -73,-2.5 4,-3.1 1,-0.1 3,-0.4 -0.065 33.2-134.3 -43.5 134.3 -4.5 -12.4 -5.7 81 81 A P H > S+ 0 0 36 0, 0.0 4,-3.0 0, 0.0 5,-0.4 0.894 103.4 63.4 -68.4 -35.9 -7.6 -13.1 -8.0 82 82 A D H > S+ 0 0 124 1,-0.2 4,-0.5 2,-0.2 -2,-0.1 0.900 116.2 32.7 -52.2 -40.4 -8.4 -16.3 -6.2 83 83 A D H >4 S+ 0 0 51 -3,-0.4 3,-0.9 2,-0.2 -1,-0.2 0.965 121.3 46.9 -75.8 -59.9 -9.0 -14.2 -3.1 84 84 A R H >< S+ 0 0 126 -4,-3.1 3,-1.1 1,-0.3 -2,-0.2 0.905 108.8 54.6 -56.4 -49.7 -10.3 -10.9 -4.8 85 85 A S H 3< S+ 0 0 88 -4,-3.0 -1,-0.3 1,-0.3 -3,-0.2 0.829 126.7 23.7 -49.8 -37.7 -12.8 -12.8 -7.1 86 86 A K T << S- 0 0 148 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 -0.502 89.5-146.9-133.2 65.8 -14.3 -14.4 -4.0 87 87 A I < - 0 0 121 -3,-1.1 2,-0.3 1,-0.1 -3,-0.1 -0.030 19.6-155.5 -38.1 100.2 -13.4 -12.0 -1.0 88 88 A A - 0 0 50 -5,-0.1 -1,-0.1 1,-0.1 -2,-0.0 -0.671 25.3-102.1 -89.1 139.7 -13.0 -14.6 1.8 89 89 A K - 0 0 187 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 -0.496 42.8-129.7 -66.6 114.8 -13.5 -13.4 5.3 90 90 A P - 0 0 97 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.267 19.5-113.6 -67.9 149.8 -9.9 -12.9 6.8 91 91 A S + 0 0 114 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.541 40.0 169.0 -78.6 152.8 -9.1 -14.5 10.1 92 92 A E - 0 0 173 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.942 22.1-178.5-155.6 166.6 -8.3 -12.3 13.2 93 93 A T 0 0 136 1,-0.4 -1,-0.1 -2,-0.3 0, 0.0 0.538 360.0 360.0-130.9 -69.9 -7.8 -12.7 17.0 94 94 A L 0 0 216 0, 0.0 -1,-0.4 0, 0.0 0, 0.0 -0.894 360.0 360.0-164.5 360.0 -7.1 -9.4 18.8