==== 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 14-MAY-02 1LQX . 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) . 5756.0 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 . 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 . 15 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 22.0 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 1 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 0 162 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.5 33.7 0.2 14.7 2 4 A V - 0 0 66 2,-0.0 2,-0.5 73,-0.0 73,-0.1 -1.000 360.0-139.8-139.8 136.9 30.1 -0.9 14.4 3 5 A K - 0 0 133 -2,-0.4 73,-2.7 71,-0.1 2,-0.5 -0.829 18.0-155.4 -98.6 130.0 27.0 -0.0 16.5 4 6 A Y E -a 76 0A 95 -2,-0.5 2,-0.3 71,-0.2 73,-0.2 -0.906 6.8-166.8-111.3 133.1 24.6 -2.8 17.2 5 7 A Y E -a 77 0A 23 71,-2.7 73,-3.0 -2,-0.5 2,-0.2 -0.880 15.3-131.6-115.5 147.0 20.9 -2.3 18.0 6 8 A T > - 0 0 38 -2,-0.3 4,-2.2 71,-0.2 3,-0.3 -0.551 25.3-114.1 -92.2 161.3 18.4 -4.8 19.4 7 9 A L H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.870 116.4 61.2 -59.3 -36.3 15.0 -5.4 18.0 8 10 A E H 4 S+ 0 0 134 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.895 109.1 39.2 -59.2 -42.4 13.6 -4.1 21.2 9 11 A E H >4 S+ 0 0 75 -3,-0.3 3,-0.7 1,-0.2 4,-0.3 0.852 112.6 56.3 -79.7 -30.6 15.2 -0.7 20.7 10 12 A I H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 10,-0.3 0.881 98.2 61.6 -67.0 -36.9 14.5 -0.5 17.0 11 13 A Q T 3< S+ 0 0 114 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.724 92.2 67.5 -63.6 -20.8 10.7 -1.0 17.4 12 14 A K T < S+ 0 0 143 -3,-0.7 2,-1.3 -4,-0.4 -1,-0.3 0.689 83.1 78.1 -72.5 -17.8 10.6 2.2 19.4 13 15 A H < + 0 0 47 -3,-1.8 7,-2.3 -4,-0.3 36,-0.4 -0.515 61.9 100.6 -95.7 71.0 11.4 4.2 16.3 14 16 A N E +E 19 0B 94 -2,-1.3 2,-0.2 5,-0.2 5,-0.2 -0.320 57.5 92.7-147.0 52.0 8.0 4.2 14.6 15 17 A N E > S-E 18 0B 67 3,-1.9 3,-0.5 -3,-0.0 -2,-0.0 -0.698 91.0 -76.0-133.9-172.8 6.4 7.6 15.3 16 18 A S T 3 S+ 0 0 115 1,-0.2 3,-0.1 -2,-0.2 -3,-0.0 0.711 126.5 41.0 -64.2 -20.2 6.2 11.0 13.8 17 19 A K T 3 S+ 0 0 171 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.618 119.7 32.2-105.7 -10.6 9.7 12.0 14.8 18 20 A S E < -E 15 0B 15 -3,-0.5 -3,-1.9 -6,-0.1 2,-0.5 -0.948 53.0-179.3-151.4 126.6 11.7 8.9 14.1 19 21 A T E +E 14 0B 2 -2,-0.3 11,-2.1 -5,-0.2 12,-0.6 -0.954 14.1 166.6-128.1 111.4 11.4 6.1 11.5 20 22 A W E +B 29 0A 21 -7,-2.3 29,-3.6 -2,-0.5 30,-0.4 -0.877 3.9 171.1-119.3 154.3 13.8 3.2 11.5 21 23 A L E -B 28 0A 5 7,-1.7 7,-2.8 -2,-0.3 2,-0.4 -0.979 28.0-115.0-157.1 162.9 13.7 -0.1 9.8 22 24 A I E +Bc 27 51A 0 28,-2.9 30,-2.8 -2,-0.3 2,-0.4 -0.864 24.9 175.7-107.9 136.3 15.9 -3.1 9.1 23 25 A L E > S-B 26 0A 10 3,-2.4 3,-1.6 -2,-0.4 -2,-0.0 -0.955 76.3 -19.2-138.3 117.0 17.1 -4.3 5.7 24 26 A H T 3 S- 0 0 85 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.901 126.1 -53.1 52.7 47.6 19.5 -7.2 5.4 25 27 A Y T 3 S+ 0 0 111 1,-0.2 52,-2.5 51,-0.1 2,-0.4 0.555 115.5 114.6 66.0 11.0 20.5 -6.9 9.1 26 28 A K E < -BD 23 76A 67 -3,-1.6 -3,-2.4 50,-0.2 2,-0.5 -0.877 62.6-132.5-110.6 145.6 21.4 -3.3 8.7 27 29 A V E -BD 22 75A 0 48,-2.9 47,-2.7 -2,-0.4 48,-1.0 -0.855 21.1-166.2-101.3 129.2 19.5 -0.5 10.5 28 30 A Y E -BD 21 73A 10 -7,-2.8 -7,-1.7 -2,-0.5 2,-0.8 -0.926 16.7-149.3-117.4 136.8 18.4 2.5 8.5 29 31 A D E +B 20 0A 53 43,-2.4 3,-0.3 -2,-0.4 -9,-0.2 -0.901 24.5 168.5-102.8 103.5 17.1 5.8 9.8 30 32 A L >> + 0 0 14 -11,-2.1 4,-1.5 -2,-0.8 3,-1.2 0.204 35.2 119.1-101.2 14.3 14.7 7.0 7.1 31 33 A T T 34 S+ 0 0 41 -12,-0.6 3,-0.3 1,-0.3 4,-0.2 0.867 83.6 35.9 -45.0 -49.5 13.1 9.8 9.1 32 34 A K T 34 S+ 0 0 193 -3,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.529 112.6 60.7 -86.0 -7.4 14.2 12.5 6.6 33 35 A F T X> S+ 0 0 34 -3,-1.2 4,-1.8 1,-0.1 3,-1.6 0.652 76.4 92.0 -93.3 -18.3 13.8 10.3 3.5 34 36 A L T 3< S+ 0 0 10 -4,-1.5 3,-0.2 -3,-0.3 -1,-0.1 0.851 90.2 42.4 -44.4 -48.9 10.0 9.7 3.9 35 37 A E T 34 S+ 0 0 162 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.613 116.2 48.9 -78.9 -10.6 8.9 12.6 1.8 36 38 A E T <4 S+ 0 0 139 -3,-1.6 -2,-0.2 -4,-0.1 -1,-0.2 0.637 79.0 115.4-100.4 -18.6 11.6 12.0 -0.9 37 39 A H >< - 0 0 28 -4,-1.8 3,-2.3 -3,-0.2 7,-0.1 -0.344 60.3-146.3 -57.8 116.8 10.9 8.3 -1.4 38 40 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.810 98.0 57.8 -54.2 -31.8 9.6 7.7 -4.9 39 41 A G T 3 S- 0 0 45 1,-0.3 4,-0.3 2,-0.0 -2,-0.1 0.354 118.2-104.9 -83.1 7.5 7.4 4.9 -3.6 40 42 A G < - 0 0 33 -3,-2.3 4,-0.4 1,-0.1 -1,-0.3 -0.093 22.6 -94.2 92.3 166.1 5.6 7.1 -1.2 41 43 A E S > S+ 0 0 66 2,-0.1 4,-2.6 1,-0.1 5,-0.2 0.696 111.8 69.3 -93.6 -20.9 5.9 7.4 2.6 42 44 A E H > S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.850 94.4 56.7 -65.7 -35.3 3.1 5.0 3.6 43 45 A E H > S+ 0 0 112 -4,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.865 113.0 42.1 -63.3 -35.8 5.1 2.0 2.4 44 46 A L H >> S+ 0 0 20 -4,-0.4 4,-0.9 2,-0.2 3,-0.8 0.909 111.5 52.2 -78.2 -45.4 7.9 3.0 4.8 45 47 A R H >< S+ 0 0 94 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.891 104.6 57.2 -59.3 -41.0 5.8 4.0 7.8 46 48 A E H 3< S+ 0 0 136 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.778 113.2 40.2 -61.7 -27.5 3.9 0.7 7.7 47 49 A Q H X< S+ 0 0 52 -3,-0.8 3,-1.7 -4,-0.5 -25,-0.3 0.501 86.2 129.7 -99.0 -7.0 7.2 -1.2 8.1 48 50 A A T << + 0 0 18 -4,-0.9 -27,-0.2 -3,-0.7 -34,-0.1 -0.148 69.0 24.0 -51.8 138.3 8.8 1.2 10.6 49 51 A G T 3 S+ 0 0 14 -29,-3.6 -1,-0.2 -36,-0.4 2,-0.2 0.400 118.1 57.7 87.4 -2.3 10.3 -0.5 13.7 50 52 A G S < S- 0 0 23 -3,-1.7 -28,-2.9 -30,-0.4 2,-0.6 -0.693 95.1 -60.6-141.5-165.5 10.8 -3.8 12.0 51 53 A D B +c 22 0A 77 -2,-0.2 -28,-0.2 -30,-0.2 3,-0.1 -0.762 39.3 169.7 -89.6 120.0 12.4 -5.9 9.3 52 54 A A > + 0 0 6 -30,-2.8 4,-2.4 -2,-0.6 5,-0.2 0.098 39.3 117.6-115.7 21.1 11.3 -4.8 5.8 53 55 A T H > S+ 0 0 23 -31,-0.3 4,-2.2 1,-0.2 5,-0.2 0.903 75.9 47.0 -56.4 -48.1 13.8 -6.9 3.8 54 56 A E H > S+ 0 0 169 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 114.2 47.2 -62.2 -44.1 11.3 -9.1 2.0 55 57 A N H > S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.878 111.5 52.2 -63.4 -39.2 9.1 -6.1 1.0 56 58 A F H X>S+ 0 0 30 -4,-2.4 5,-0.9 1,-0.2 4,-0.6 0.895 116.3 38.6 -63.7 -43.1 12.1 -4.2 -0.2 57 59 A E H <5S+ 0 0 71 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.793 107.3 64.8 -78.7 -29.8 13.3 -7.1 -2.4 58 60 A D H <5S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.843 105.2 45.1 -62.4 -33.7 9.7 -8.0 -3.5 59 61 A V H <5S- 0 0 96 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.707 109.8-131.5 -82.1 -21.2 9.4 -4.6 -5.2 60 62 A G T <5 - 0 0 50 -4,-0.6 -3,-0.2 -3,-0.1 -2,-0.1 0.988 19.9-146.8 70.3 65.4 12.9 -5.0 -6.7 61 63 A H < - 0 0 55 -5,-0.9 -1,-0.1 1,-0.1 -5,-0.0 -0.255 17.5-112.9 -63.1 146.8 14.8 -1.8 -6.1 62 64 A S > - 0 0 68 1,-0.1 4,-1.9 4,-0.0 5,-0.1 -0.156 27.1-103.8 -74.0 170.6 17.3 -0.6 -8.7 63 65 A T H > S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.867 122.4 53.9 -62.6 -38.4 21.1 -0.4 -8.2 64 66 A D H > S+ 0 0 133 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.884 107.0 50.2 -64.7 -39.3 20.8 3.4 -7.8 65 67 A A H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 111.4 49.2 -65.7 -39.4 18.3 3.0 -5.0 66 68 A R H X S+ 0 0 75 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.877 109.5 50.9 -68.6 -37.4 20.5 0.5 -3.2 67 69 A E H < S+ 0 0 109 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.911 111.9 48.2 -66.2 -40.1 23.5 2.8 -3.5 68 70 A L H >< S+ 0 0 82 -4,-2.1 3,-1.8 1,-0.2 4,-0.3 0.862 100.6 64.8 -67.3 -37.2 21.5 5.7 -2.0 69 71 A S H >< S+ 0 0 18 -4,-2.0 3,-2.1 1,-0.3 4,-0.3 0.824 87.8 71.5 -56.4 -32.0 20.2 3.6 0.9 70 72 A K G >< S+ 0 0 124 -4,-0.9 3,-1.1 -3,-0.5 -1,-0.3 0.761 85.1 66.3 -57.4 -26.8 23.7 3.2 2.2 71 73 A T G < S+ 0 0 99 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.680 99.4 53.0 -70.2 -15.1 23.7 6.9 3.3 72 74 A F G < S+ 0 0 48 -3,-2.1 -43,-2.4 -4,-0.3 -1,-0.2 0.423 77.1 120.3-100.6 0.1 21.0 6.1 5.8 73 75 A I E < + D 0 28A 60 -3,-1.1 -45,-0.2 -4,-0.3 3,-0.1 -0.464 28.0 169.8 -68.3 130.6 22.7 3.2 7.6 74 76 A I E - 0 0 58 -47,-2.7 2,-0.3 1,-0.3 -46,-0.2 0.458 61.2 -49.9-117.5 -6.6 23.2 3.9 11.4 75 77 A G E - D 0 27A 8 -48,-1.0 -48,-2.9 -73,-0.1 -1,-0.3 -0.988 61.0 -78.5 165.5-164.0 24.3 0.5 12.5 76 78 A E E -aD 4 26A 65 -73,-2.7 -71,-2.7 -2,-0.3 2,-0.3 -0.856 43.0 -90.5-130.1 164.7 23.4 -3.2 12.4 77 79 A L E -a 5 0A 5 -52,-2.5 -71,-0.2 -2,-0.3 5,-0.1 -0.577 54.5-100.6 -75.2 133.2 21.1 -5.7 14.1 78 80 A H > - 0 0 60 -73,-3.0 3,-2.0 -2,-0.3 4,-0.4 -0.261 28.2-124.7 -54.0 133.2 22.6 -7.2 17.3 79 81 A P G > S+ 0 0 66 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.800 108.2 63.5 -50.4 -34.2 23.9 -10.7 16.5 80 82 A D G 3 S+ 0 0 133 1,-0.2 -2,-0.1 2,-0.2 -74,-0.1 0.747 102.8 48.9 -65.1 -24.8 21.8 -12.2 19.3 81 83 A D G < 0 0 63 -3,-2.0 -1,-0.2 1,-0.2 -3,-0.1 0.427 360.0 360.0 -95.2 -1.2 18.6 -11.1 17.5 82 84 A R < 0 0 138 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.2 0.854 360.0 360.0 -81.7 360.0 19.5 -12.6 14.1