==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 20-NOV-02 1J0Q . COMPND 2 MOLECULE: CYTOCHROME B5; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.WU,Z.HUANG,C.CAO,Q.ZHANG,Y.-H.WANG,J.-B.MA,L.-L.XUE . 82 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5517.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 55 67.1 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 . 12 14.6 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 2.4 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 . 6 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 28.0 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 3 0 0 0 1 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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 152 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.2 -4.6 19.1 4.6 2 4 A V - 0 0 85 1,-0.1 73,-0.0 74,-0.0 74,-0.0 -0.838 360.0-155.7-140.7 174.5 -5.5 15.8 2.8 3 5 A K - 0 0 112 -2,-0.3 72,-0.1 2,-0.0 -1,-0.1 0.652 32.4-163.4-121.4 -43.5 -5.3 14.7 -0.8 4 6 A Y - 0 0 79 1,-0.1 2,-0.3 23,-0.1 73,-0.2 0.588 13.9-161.1 53.5 152.8 -7.9 11.8 -1.0 5 7 A Y B -a 77 0A 66 71,-1.8 73,-2.6 70,-0.0 2,-0.2 -0.955 19.5-119.8-162.7 139.9 -8.5 9.1 -3.5 6 8 A T >> - 0 0 43 -2,-0.3 4,-3.0 71,-0.2 3,-0.7 -0.544 23.4-115.5 -95.2 156.5 -11.6 7.0 -4.1 7 9 A L H 3> S+ 0 0 76 1,-0.3 4,-3.0 2,-0.2 5,-0.4 0.912 118.1 65.8 -54.9 -39.4 -12.0 3.2 -3.9 8 10 A E H 3> S+ 0 0 124 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.887 111.8 32.7 -39.6 -55.5 -12.7 3.6 -7.7 9 11 A E H <> S+ 0 0 58 -3,-0.7 4,-3.0 2,-0.2 -2,-0.2 0.893 114.7 57.8 -71.7 -46.0 -9.0 4.7 -8.1 10 12 A I H < S+ 0 0 2 -4,-3.0 10,-0.4 1,-0.2 -2,-0.2 0.927 109.9 43.3 -63.6 -42.0 -7.5 2.6 -5.3 11 13 A Q H < S+ 0 0 113 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.918 115.1 51.9 -59.8 -46.4 -8.7 -0.7 -6.8 12 14 A K H < S+ 0 0 103 -4,-1.1 2,-2.2 -5,-0.4 -2,-0.2 0.886 93.5 73.2 -58.5 -45.6 -7.7 0.5 -10.2 13 15 A H S < S+ 0 0 39 -4,-3.0 7,-2.8 1,-0.2 36,-0.3 -0.462 73.1 98.5 -74.9 75.7 -4.1 1.4 -9.1 14 16 A N B +B 19 0B 28 -2,-2.2 5,-0.2 5,-0.3 -1,-0.2 0.142 57.2 74.4-151.0 18.2 -3.1 -2.2 -8.9 15 17 A N S S- 0 0 117 3,-1.1 4,-0.1 -3,-0.2 -1,-0.1 -0.354 106.8 -65.9-156.5 69.6 -1.2 -3.3 -12.0 16 18 A S S S+ 0 0 89 1,-0.2 3,-0.1 2,-0.1 -3,-0.0 0.916 124.8 68.0 67.6 48.9 2.4 -2.4 -12.9 17 19 A K S S- 0 0 181 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.148 119.8 -12.6-169.4 -58.0 1.6 1.3 -13.3 18 20 A S - 0 0 28 -6,-0.1 -3,-1.1 13,-0.1 2,-0.4 -0.910 58.6-156.4-154.3 151.7 0.7 2.2 -9.8 19 21 A T B -B 14 0B 0 -2,-0.3 11,-1.9 -5,-0.2 12,-0.3 -0.912 20.3-178.3-137.3 106.8 0.1 -0.1 -6.8 20 22 A W E +C 29 0C 10 -7,-2.8 29,-3.1 -10,-0.4 2,-0.3 -0.729 4.4 178.9-106.4 147.8 -2.0 1.5 -4.1 21 23 A L E -C 28 0C 5 7,-1.8 7,-2.8 -2,-0.3 2,-0.6 -0.979 27.4-122.9-147.0 158.7 -3.1 0.1 -0.6 22 24 A I E +Cd 27 51C 7 28,-2.4 30,-2.0 -2,-0.3 31,-0.8 -0.929 27.5 173.7-106.3 117.8 -5.1 1.3 2.4 23 25 A L E > S-C 26 0C 7 3,-1.5 3,-0.6 -2,-0.6 28,-0.0 -0.911 81.8 -18.5-123.5 94.7 -3.2 1.2 5.7 24 26 A H T 3 S- 0 0 99 -2,-0.5 2,-1.2 1,-0.2 -1,-0.1 0.937 121.4 -61.7 70.5 48.1 -5.4 2.9 8.4 25 27 A Y T 3 S+ 0 0 121 1,-0.2 52,-3.2 51,-0.1 -1,-0.2 0.089 115.6 110.1 61.0 -21.6 -7.6 4.7 5.8 26 28 A K E < S-CE 23 76C 72 -2,-1.2 -3,-1.5 -3,-0.6 2,-0.4 -0.439 72.1-123.4 -63.0 156.6 -4.6 6.7 4.5 27 29 A V E -CE 22 75C 0 48,-2.2 47,-2.1 -5,-0.2 48,-1.4 -0.919 22.5-161.0-115.6 136.6 -3.6 5.6 1.0 28 30 A Y E -CE 21 73C 17 -7,-2.8 -7,-1.8 -2,-0.4 2,-0.4 -0.978 4.5-165.2-127.8 115.4 -0.1 4.3 0.2 29 31 A D E +C 20 0C 35 43,-1.8 -9,-0.2 -2,-0.5 46,-0.0 -0.848 23.0 151.2 -97.6 141.3 1.5 4.1 -3.2 30 32 A L + 0 0 17 -11,-1.9 2,-2.9 -2,-0.4 3,-0.2 0.450 8.7 145.0-125.3 -77.2 4.6 2.1 -3.6 31 33 A T S S+ 0 0 38 -12,-0.3 4,-0.2 1,-0.3 -13,-0.1 -0.244 81.9 47.7 67.2 -52.7 5.1 0.6 -7.1 32 34 A K S >> S+ 0 0 170 -2,-2.9 3,-2.4 2,-0.2 4,-0.5 0.888 103.4 60.9 -75.3 -43.3 8.9 1.0 -7.0 33 35 A F H >> S+ 0 0 47 1,-0.3 4,-3.2 2,-0.2 3,-0.6 0.760 84.3 79.7 -62.1 -26.4 9.2 -0.6 -3.5 34 36 A L H 34 S+ 0 0 9 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.815 92.2 52.5 -42.9 -39.1 7.7 -3.7 -5.0 35 37 A E H <4 S+ 0 0 185 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.889 117.5 35.4 -63.2 -47.0 11.2 -4.3 -6.3 36 38 A E H << S+ 0 0 121 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.1 0.931 86.6 113.5 -74.5 -53.7 12.8 -3.9 -2.8 37 39 A H >< - 0 0 29 -4,-3.2 3,-2.4 1,-0.1 7,-0.1 0.092 58.3-147.7 -39.4 117.7 10.2 -5.5 -0.6 38 40 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.846 102.8 58.6 -51.0 -37.6 11.3 -8.7 1.2 39 41 A G T 3 S- 0 0 43 1,-0.2 4,-0.3 2,-0.0 5,-0.2 0.610 110.2-136.1 -66.4 -13.8 7.6 -9.8 1.0 40 42 A G < - 0 0 29 -3,-2.4 4,-0.5 -7,-0.1 -1,-0.2 -0.061 17.3 -84.4 78.1 175.4 7.9 -9.4 -2.8 41 43 A E S >> S+ 0 0 76 3,-0.1 4,-3.0 2,-0.1 3,-0.8 0.974 109.9 64.3 -79.5 -67.3 5.4 -7.9 -5.2 42 44 A E H 3> S+ 0 0 168 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.744 108.7 39.0 -30.8 -67.7 2.8 -10.6 -6.1 43 45 A V H 3> S+ 0 0 80 -4,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.897 122.3 44.8 -50.7 -47.5 1.3 -11.0 -2.5 44 46 A L H <> S+ 0 0 25 -3,-0.8 4,-1.8 -4,-0.5 -1,-0.2 0.872 111.3 52.9 -66.6 -38.0 1.5 -7.3 -1.9 45 47 A R H < S+ 0 0 53 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.819 109.1 50.6 -70.4 -31.3 0.1 -6.5 -5.3 46 48 A E H < S+ 0 0 123 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.833 112.0 45.1 -77.9 -33.6 -2.8 -8.8 -4.5 47 49 A Q H < S+ 0 0 71 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.738 99.5 97.7 -73.5 -26.7 -3.5 -7.0 -1.2 48 50 A A < + 0 0 6 -4,-1.8 -27,-0.3 1,-0.2 3,-0.1 -0.180 69.5 42.3 -60.0 159.3 -3.1 -3.7 -3.1 49 51 A G S S+ 0 0 18 -29,-3.1 2,-0.3 -36,-0.3 -1,-0.2 0.880 117.4 49.1 56.3 47.1 -6.2 -1.9 -4.2 50 52 A G S S- 0 0 25 -30,-0.3 -28,-2.4 -3,-0.2 2,-0.7 -0.947 108.3 -49.9-178.1-179.1 -7.8 -2.6 -0.9 51 53 A D B +d 22 0C 89 -2,-0.3 4,-0.2 -30,-0.2 -28,-0.2 -0.617 46.4 165.3 -65.3 108.9 -7.3 -2.5 2.8 52 54 A A > + 0 0 5 -30,-2.0 4,-2.7 -2,-0.7 5,-0.2 0.094 47.0 107.8-107.1 16.2 -4.0 -4.1 3.5 53 55 A T H > S+ 0 0 21 -31,-0.8 4,-2.4 2,-0.2 5,-0.2 0.960 79.3 41.0 -61.2 -58.0 -4.1 -2.6 7.0 54 56 A E H > S+ 0 0 174 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.942 116.7 50.7 -57.5 -50.9 -4.8 -5.8 9.0 55 57 A N H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 108.7 51.4 -54.9 -47.1 -2.3 -7.8 6.8 56 58 A F H <>S+ 0 0 24 -4,-2.7 5,-1.2 1,-0.2 4,-0.3 0.950 116.4 40.1 -55.5 -52.0 0.5 -5.2 7.4 57 59 A E H ><5S+ 0 0 71 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.877 109.8 60.7 -63.2 -39.7 -0.0 -5.3 11.1 58 60 A D H 3<5S+ 0 0 134 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.899 101.1 53.5 -57.5 -44.5 -0.4 -9.1 11.0 59 61 A H T 3<5S- 0 0 120 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.568 110.1-128.3 -66.9 -11.7 3.1 -9.4 9.6 60 62 A G T < 5 - 0 0 50 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.897 31.8-156.0 64.5 43.8 4.3 -7.4 12.5 61 63 A H < - 0 0 49 -5,-1.2 -1,-0.1 1,-0.1 -5,-0.0 -0.162 12.4-113.1 -57.5 144.5 6.2 -4.9 10.3 62 64 A S > - 0 0 77 1,-0.1 4,-2.5 4,-0.0 3,-0.3 -0.178 26.1-101.8 -75.1 164.9 9.1 -3.0 11.8 63 65 A T H > S+ 0 0 85 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.939 121.7 57.1 -50.6 -50.8 9.4 0.8 12.6 64 66 A D H > S+ 0 0 112 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.883 110.7 43.5 -52.7 -42.7 11.6 1.3 9.4 65 67 A A H > S+ 0 0 30 -3,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.906 115.4 49.1 -67.1 -44.7 8.8 -0.2 7.3 66 68 A R H X S+ 0 0 78 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.980 112.2 47.5 -55.5 -62.6 6.2 1.8 9.3 67 69 A E H X S+ 0 0 90 -4,-3.3 4,-1.8 1,-0.2 3,-0.5 0.926 111.3 52.4 -35.8 -58.2 8.3 5.0 8.8 68 70 A L H X S+ 0 0 67 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.918 104.0 57.0 -50.3 -45.9 8.6 4.1 5.1 69 71 A S H X S+ 0 0 9 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.894 102.5 55.7 -54.7 -41.6 4.8 3.8 5.0 70 72 A K H >< S+ 0 0 114 -4,-1.8 3,-1.8 -3,-0.5 -1,-0.2 0.967 109.5 44.0 -56.4 -55.2 4.5 7.4 6.2 71 73 A T H 3< S+ 0 0 112 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.823 109.2 59.4 -63.7 -27.3 6.6 8.6 3.3 72 74 A F H 3< S+ 0 0 38 -4,-2.3 -43,-1.8 -5,-0.2 2,-0.4 0.617 76.0 117.5 -72.9 -15.7 4.6 6.4 1.0 73 75 A I E << +E 28 0C 63 -3,-1.8 -45,-0.3 -4,-0.8 3,-0.1 -0.437 24.9 153.2 -55.2 116.6 1.4 8.2 2.0 74 76 A I E - 0 0 53 -47,-2.1 2,-0.3 -2,-0.4 -46,-0.2 0.402 63.1 -15.4-108.5 -11.9 0.0 9.8 -1.2 75 77 A G E -E 27 0C 1 -48,-1.4 -48,-2.2 -72,-0.1 2,-0.3 -0.891 60.0-105.4-171.7 177.6 -3.6 9.9 -0.3 76 78 A E E -E 26 0C 12 -50,-0.3 -71,-1.8 -2,-0.3 2,-0.6 -0.946 38.8-103.8-139.8 158.9 -6.5 8.9 1.8 77 79 A L B -a 5 0A 5 -52,-3.2 -71,-0.2 -2,-0.3 -73,-0.0 -0.801 57.5-101.3 -87.3 116.1 -9.4 6.5 1.1 78 80 A H > - 0 0 62 -73,-2.6 4,-1.1 -2,-0.6 -1,-0.1 0.340 16.9-126.2 -41.0 157.9 -12.3 8.8 0.4 79 81 A P T 4 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.830 108.7 52.0 -79.3 -36.6 -15.2 9.7 2.8 80 82 A D T 4 S+ 0 0 138 2,-0.0 -74,-0.0 0, 0.0 -2,-0.0 0.956 121.6 41.1 -61.9 -40.4 -18.2 8.8 0.7 81 83 A D T 4 0 0 39 1,-0.1 -3,-0.1 0, 0.0 -75,-0.1 0.969 360.0 360.0 -56.1-105.8 -16.3 5.5 0.3 82 84 A R < 0 0 169 -4,-1.1 -1,-0.1 -57,-0.1 -5,-0.0 0.513 360.0 360.0 59.1 360.0 -14.6 4.2 3.6