==== 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 15-MAY-02 1LR6 . COMPND 2 MOLECULE: CYTOCHROME B5; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.-H.GAN,J.WU,Z.-Q.WANG,Y.-H.WANG,Z.-X.HUANG,Z.-X.XIA . 82 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 15.9 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 . 3 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 20.7 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 2 0 0 2 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 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 3 A A 0 0 164 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.6 33.0 0.3 14.8 2 4 A V - 0 0 68 73,-0.0 2,-0.5 2,-0.0 73,-0.1 -0.978 360.0-136.5-130.0 142.0 29.3 -0.7 14.4 3 5 A K - 0 0 133 -2,-0.4 73,-2.5 71,-0.2 2,-0.5 -0.851 19.6-154.0 -99.7 129.3 26.3 0.1 16.5 4 6 A Y E -a 76 0A 96 -2,-0.5 2,-0.3 71,-0.2 73,-0.2 -0.891 7.6-166.4-109.0 133.0 23.9 -2.7 17.2 5 7 A Y E -a 77 0A 21 71,-2.7 73,-3.3 -2,-0.5 2,-0.2 -0.870 14.6-132.6-115.0 148.1 20.2 -2.3 17.9 6 8 A T > - 0 0 38 -2,-0.3 4,-2.2 71,-0.2 3,-0.2 -0.593 26.0-114.1 -94.9 161.2 17.8 -4.8 19.3 7 9 A L H > S+ 0 0 76 1,-0.2 4,-2.2 -2,-0.2 5,-0.1 0.854 116.4 61.6 -60.6 -34.2 14.3 -5.5 17.9 8 10 A E H 4 S+ 0 0 128 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.925 108.3 39.5 -60.0 -46.9 12.9 -4.1 21.1 9 11 A E H >4 S+ 0 0 70 -3,-0.2 3,-0.8 1,-0.2 4,-0.3 0.863 113.0 55.6 -73.2 -33.7 14.5 -0.6 20.6 10 12 A I H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 10,-0.3 0.907 98.1 62.1 -64.7 -40.6 13.8 -0.6 16.8 11 13 A Q T 3< S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.731 94.7 63.9 -58.3 -23.0 10.0 -1.2 17.3 12 14 A K T < S+ 0 0 127 -3,-0.8 2,-1.2 -4,-0.5 -1,-0.3 0.627 83.9 79.8 -76.8 -14.2 9.8 2.1 19.3 13 15 A H < + 0 0 50 -3,-2.2 7,-2.2 -4,-0.3 36,-0.3 -0.533 61.3 99.1 -97.1 69.7 10.8 4.1 16.2 14 16 A N E +E 19 0B 92 -2,-1.2 2,-0.2 5,-0.2 5,-0.2 -0.302 58.1 97.2-146.8 51.0 7.5 4.2 14.4 15 17 A N E > S-E 18 0B 66 3,-2.2 3,-0.7 -3,-0.0 -2,-0.0 -0.668 89.4 -77.4-129.5-174.0 6.0 7.6 15.3 16 18 A S T 3 S+ 0 0 113 1,-0.2 3,-0.1 -2,-0.2 -3,-0.0 0.742 127.5 37.8 -61.9 -25.5 5.7 11.1 13.8 17 19 A K T 3 S+ 0 0 171 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.541 120.6 37.9-106.0 -4.6 9.3 12.1 14.6 18 20 A S E < +E 15 0B 16 -3,-0.7 -3,-2.2 -6,-0.1 2,-0.4 -0.942 51.6 174.8-151.9 126.4 11.1 8.8 14.0 19 21 A T E +E 14 0B 1 -2,-0.3 11,-2.1 -5,-0.2 12,-0.6 -0.962 13.4 165.1-132.7 113.9 10.8 6.0 11.4 20 22 A W E +B 29 0A 23 -7,-2.2 29,-3.5 -2,-0.4 30,-0.4 -0.866 4.8 172.8-122.8 158.0 13.3 3.2 11.3 21 23 A L E -B 28 0A 5 7,-1.6 7,-2.8 -2,-0.3 2,-0.4 -0.967 27.2-115.6-158.6 163.6 13.1 -0.2 9.6 22 24 A I E +Bc 27 51A 0 28,-2.7 30,-3.1 -2,-0.3 2,-0.4 -0.890 24.5 175.6-110.7 137.9 15.3 -3.2 8.9 23 25 A L E > S-B 26 0A 11 3,-2.1 3,-1.9 -2,-0.4 -2,-0.0 -0.961 77.8 -18.1-138.7 117.3 16.5 -4.4 5.5 24 26 A H T 3 S- 0 0 103 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.898 126.1 -53.8 51.6 48.6 19.0 -7.3 5.4 25 27 A Y T 3 S+ 0 0 106 1,-0.2 52,-2.7 51,-0.1 2,-0.4 0.498 114.0 116.7 65.8 6.2 19.9 -7.0 9.1 26 28 A K E < -BD 23 76A 67 -3,-1.9 -3,-2.1 50,-0.2 2,-0.5 -0.852 62.1-132.7-104.9 143.0 20.8 -3.3 8.6 27 29 A V E -BD 22 75A 0 48,-3.1 47,-2.7 -2,-0.4 48,-1.1 -0.826 21.5-165.6 -98.3 128.0 18.9 -0.5 10.4 28 30 A Y E -BD 21 73A 5 -7,-2.8 -7,-1.6 -2,-0.5 2,-0.8 -0.935 15.9-150.9-116.3 133.8 17.8 2.5 8.4 29 31 A D E +B 20 0A 55 43,-2.6 3,-0.3 -2,-0.4 -9,-0.2 -0.888 23.3 168.6-101.3 103.7 16.5 5.8 9.7 30 32 A L >> + 0 0 13 -11,-2.1 4,-1.7 -2,-0.8 3,-1.1 0.178 35.2 119.9-101.7 16.2 14.1 7.0 7.0 31 33 A T T 34 S+ 0 0 42 -12,-0.6 4,-0.3 1,-0.3 3,-0.3 0.893 84.1 34.2 -46.0 -51.7 12.6 9.8 9.0 32 34 A K T 34 S+ 0 0 194 -3,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.521 114.2 60.6 -85.3 -5.7 13.7 12.5 6.5 33 35 A F T X> S+ 0 0 32 -3,-1.1 4,-1.8 1,-0.1 3,-1.5 0.711 76.7 89.1 -93.2 -22.6 13.3 10.2 3.4 34 36 A L T 3< S+ 0 0 9 -4,-1.7 3,-0.3 1,-0.3 -1,-0.1 0.840 91.4 44.5 -41.2 -50.9 9.5 9.5 3.8 35 37 A E T 34 S+ 0 0 165 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.711 115.2 48.5 -71.3 -22.9 8.4 12.6 1.8 36 38 A E T <4 S+ 0 0 142 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.654 79.9 116.9 -91.6 -19.5 11.1 12.0 -1.0 37 39 A H >< - 0 0 30 -4,-1.8 3,-2.1 -3,-0.3 7,-0.1 -0.307 59.3-146.7 -56.4 118.3 10.3 8.2 -1.5 38 40 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.885 98.4 55.8 -53.0 -41.6 9.1 7.7 -5.1 39 41 A G T 3 S- 0 0 37 1,-0.2 4,-0.3 2,-0.0 3,-0.1 0.549 117.4-110.9 -70.9 -5.8 6.8 4.8 -3.9 40 42 A G < - 0 0 31 -3,-2.1 4,-0.3 1,-0.1 -1,-0.2 -0.324 23.4 -89.2 100.1 173.5 5.1 7.1 -1.4 41 43 A E S > S+ 0 0 75 2,-0.1 4,-2.9 1,-0.1 5,-0.3 0.678 109.1 75.9 -98.9 -18.5 5.2 7.1 2.4 42 44 A E H > S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.892 96.0 50.9 -58.4 -41.1 2.3 4.8 3.2 43 45 A Y H 4 S+ 0 0 158 -4,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.831 114.3 44.7 -66.6 -31.9 4.5 1.8 2.2 44 46 A L H >> S+ 0 0 20 -4,-0.3 4,-0.9 -3,-0.2 3,-0.7 0.914 113.0 47.0 -78.8 -46.3 7.3 2.9 4.5 45 47 A R H 3< S+ 0 0 96 -4,-2.9 3,-0.5 1,-0.2 -2,-0.2 0.865 106.9 59.7 -63.7 -36.0 5.2 3.9 7.6 46 48 A E T 3< S+ 0 0 142 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.774 113.1 38.0 -62.8 -27.0 3.3 0.6 7.3 47 49 A Q T X4 S+ 0 0 42 -3,-0.7 3,-1.4 -4,-0.5 -25,-0.3 0.507 88.3 129.2-101.9 -7.5 6.6 -1.2 7.7 48 50 A A T 3< + 0 0 18 -4,-0.9 -27,-0.2 -3,-0.5 -34,-0.1 -0.157 68.0 24.5 -52.9 136.2 8.2 1.1 10.3 49 51 A G T 3 S+ 0 0 15 -29,-3.5 -1,-0.2 -36,-0.3 2,-0.2 0.450 117.6 57.0 89.1 1.0 9.6 -0.4 13.4 50 52 A G S < S- 0 0 22 -3,-1.4 -28,-2.7 -30,-0.4 2,-0.6 -0.764 95.6 -59.6-146.0-168.5 10.2 -3.8 11.9 51 53 A D B +c 22 0A 84 -2,-0.2 -28,-0.2 -30,-0.2 4,-0.1 -0.725 39.9 169.8 -86.3 119.9 11.9 -5.9 9.2 52 54 A A > + 0 0 5 -30,-3.1 4,-2.5 -2,-0.6 5,-0.2 0.111 39.9 116.3-115.1 20.0 10.8 -4.9 5.7 53 55 A T H > S+ 0 0 21 -31,-0.3 4,-2.5 1,-0.2 5,-0.3 0.946 76.7 46.5 -54.8 -55.2 13.4 -6.9 3.7 54 56 A E H > S+ 0 0 167 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 114.4 46.8 -57.1 -43.2 10.8 -9.2 2.0 55 57 A N H > S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.904 111.7 52.7 -64.9 -41.1 8.6 -6.3 1.0 56 58 A F H X>S+ 0 0 31 -4,-2.5 4,-0.9 1,-0.2 5,-0.6 0.906 115.1 39.7 -58.9 -47.8 11.6 -4.3 -0.3 57 59 A E H <5S+ 0 0 73 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.799 109.1 62.8 -74.0 -30.8 12.8 -7.2 -2.5 58 60 A D H <5S+ 0 0 145 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.883 104.5 45.6 -62.5 -41.4 9.2 -8.1 -3.5 59 61 A V H <5S- 0 0 102 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.806 111.9-128.2 -72.2 -29.6 8.7 -4.7 -5.2 60 62 A G T <5 - 0 0 51 -4,-0.9 -3,-0.2 -5,-0.2 2,-0.1 0.981 21.5-146.7 80.4 75.1 12.1 -5.0 -6.8 61 63 A H < - 0 0 55 -5,-0.6 -1,-0.1 1,-0.1 -5,-0.0 -0.426 16.6-113.6 -75.6 146.2 14.2 -1.9 -6.2 62 64 A S > - 0 0 65 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.161 27.5-107.1 -70.6 166.8 16.7 -0.6 -8.8 63 65 A T H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.834 121.2 55.8 -64.4 -32.6 20.5 -0.6 -8.3 64 66 A D H > S+ 0 0 131 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 105.7 48.9 -67.1 -43.6 20.3 3.2 -7.8 65 67 A A H > S+ 0 0 30 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.919 111.7 50.2 -62.3 -43.0 17.7 3.0 -5.0 66 68 A R H X S+ 0 0 73 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.884 109.6 50.6 -62.7 -39.2 19.8 0.4 -3.2 67 69 A E H < S+ 0 0 126 -4,-2.0 3,-0.3 1,-0.2 4,-0.3 0.892 112.9 47.3 -65.1 -38.6 22.9 2.6 -3.6 68 70 A L H >< S+ 0 0 83 -4,-2.2 3,-1.9 1,-0.2 4,-0.3 0.889 100.9 64.1 -69.4 -41.1 20.9 5.5 -2.2 69 71 A S H >< S+ 0 0 18 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.806 88.8 72.4 -54.2 -30.3 19.5 3.5 0.8 70 72 A K G >< S+ 0 0 93 -4,-1.0 3,-1.1 -3,-0.3 -1,-0.3 0.762 85.1 63.6 -59.4 -27.3 23.0 3.1 2.1 71 73 A T G < S+ 0 0 102 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.670 99.6 56.1 -72.4 -13.7 23.2 6.8 3.2 72 74 A F G < S+ 0 0 48 -3,-1.9 -43,-2.6 -4,-0.3 2,-0.3 0.344 76.7 119.3 -99.7 4.7 20.4 6.1 5.7 73 75 A I E < + D 0 28A 55 -3,-1.1 -45,-0.2 -45,-0.2 3,-0.1 -0.540 27.9 169.0 -73.9 133.3 22.1 3.2 7.6 74 76 A I E - 0 0 57 -47,-2.7 2,-0.3 1,-0.3 -71,-0.2 0.435 61.8 -47.8-120.3 -7.5 22.6 3.9 11.3 75 77 A G E - D 0 27A 5 -48,-1.1 -48,-3.1 -73,-0.1 -1,-0.3 -0.990 59.9 -80.8 167.9-163.6 23.6 0.4 12.4 76 78 A E E -aD 4 26A 61 -73,-2.5 -71,-2.7 -2,-0.3 -50,-0.2 -0.898 43.5 -89.8-132.9 162.0 22.8 -3.3 12.4 77 79 A L E -a 5 0A 6 -52,-2.7 -71,-0.2 -2,-0.3 5,-0.1 -0.518 55.5 -99.5 -70.9 133.3 20.4 -5.7 14.1 78 80 A H > - 0 0 60 -73,-3.3 3,-2.1 -2,-0.2 4,-0.4 -0.272 28.6-123.6 -55.1 133.7 22.0 -7.2 17.2 79 81 A P G > S+ 0 0 63 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.820 109.2 60.9 -47.3 -39.5 23.4 -10.7 16.5 80 82 A D G 3 S+ 0 0 132 1,-0.3 -2,-0.1 2,-0.2 -74,-0.1 0.726 102.9 50.7 -65.3 -22.9 21.3 -12.2 19.3 81 83 A D G < 0 0 63 -3,-2.1 -1,-0.3 1,-0.1 -3,-0.1 0.454 360.0 360.0 -94.0 -1.4 18.0 -11.1 17.6 82 84 A R < 0 0 134 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.1 0.897 360.0 360.0 -82.2 360.0 19.0 -12.6 14.2