==== 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 24-JUN-02 1M2I . COMPND 2 MOLECULE: CYTOCHROME B5; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.WU,Y.-H.WANG,J.-H.GAN,W.-H.WANG,B.-Y.SUN,Z.-X.HUANG,Z.- . 82 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5670.0 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 . 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 . 4 4.9 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 . 16 19.5 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 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 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 . 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 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 0.000 360.0 360.0 360.0 168.8 33.7 0.2 14.8 2 4 A V - 0 0 72 2,-0.0 2,-0.4 73,-0.0 73,-0.1 -0.999 360.0-137.1-142.6 137.7 30.1 -0.8 14.4 3 5 A K - 0 0 134 -2,-0.4 73,-2.4 71,-0.2 2,-0.4 -0.786 19.4-155.5 -95.1 133.4 27.0 0.0 16.5 4 6 A Y E -a 76 0A 96 -2,-0.4 2,-0.3 71,-0.2 73,-0.2 -0.927 6.3-166.1-114.9 135.9 24.5 -2.8 17.2 5 7 A Y E -a 77 0A 23 71,-2.6 73,-3.3 -2,-0.4 2,-0.2 -0.871 14.9-132.0-117.1 148.7 20.9 -2.4 18.0 6 8 A T > - 0 0 35 -2,-0.3 4,-2.3 71,-0.2 3,-0.3 -0.574 27.0-112.7 -94.7 162.2 18.4 -4.9 19.4 7 9 A L H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.876 118.3 59.7 -59.3 -36.5 14.9 -5.5 18.0 8 10 A E H 4 S+ 0 0 142 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.892 108.2 43.1 -59.9 -41.5 13.5 -4.1 21.2 9 11 A E H >4 S+ 0 0 79 -3,-0.3 3,-1.1 1,-0.2 4,-0.3 0.923 113.1 50.9 -70.3 -46.4 15.3 -0.8 20.6 10 12 A I H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 10,-0.3 0.857 99.0 65.5 -60.6 -37.2 14.4 -0.5 16.9 11 13 A Q T 3< S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.737 92.0 64.9 -58.6 -24.5 10.7 -1.2 17.5 12 14 A K T < S+ 0 0 147 -3,-1.1 2,-1.3 -4,-0.5 -1,-0.3 0.663 83.5 79.7 -74.3 -17.8 10.5 2.1 19.4 13 15 A H < + 0 0 51 -3,-1.9 7,-2.3 -4,-0.3 36,-0.3 -0.530 60.8 99.2 -95.6 70.9 11.3 4.2 16.3 14 16 A N B +E 19 0B 91 -2,-1.3 2,-0.2 5,-0.2 5,-0.2 -0.325 56.9 93.4-148.4 54.0 7.9 4.2 14.6 15 17 A N S S- 0 0 72 3,-2.0 3,-0.3 -3,-0.0 33,-0.0 -0.710 92.7 -80.7-133.7-174.1 6.3 7.6 15.4 16 18 A S S S+ 0 0 112 -2,-0.2 3,-0.1 1,-0.2 -3,-0.0 0.702 126.8 51.3 -66.3 -17.0 6.1 11.0 13.8 17 19 A K S S+ 0 0 176 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.779 119.0 16.9 -91.1 -31.7 9.6 11.8 15.2 18 20 A S - 0 0 16 -3,-0.3 -3,-2.0 -6,-0.1 2,-0.4 -0.995 52.4-171.7-150.0 138.5 11.6 8.8 14.1 19 21 A T B +E 14 0B 2 -2,-0.3 11,-2.3 -5,-0.2 12,-0.5 -0.939 16.9 166.8-133.0 108.9 11.2 6.0 11.5 20 22 A W E +B 29 0A 21 -7,-2.3 29,-3.9 -2,-0.4 30,-0.3 -0.859 4.2 172.7-117.3 154.8 13.8 3.2 11.5 21 23 A L E -B 28 0A 5 7,-1.7 7,-2.7 -2,-0.3 2,-0.4 -0.972 27.2-116.4-155.0 163.0 13.6 -0.1 9.7 22 24 A I E +Bc 27 51A 0 28,-2.9 30,-2.9 -2,-0.3 31,-0.4 -0.888 25.3 175.2-110.1 137.0 15.8 -3.1 9.1 23 25 A L E > S-B 26 0A 11 3,-2.3 3,-1.6 -2,-0.4 -2,-0.0 -0.962 75.4 -18.6-139.6 118.4 17.1 -4.3 5.7 24 26 A H T 3 S- 0 0 97 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.903 126.0 -52.9 50.7 50.6 19.5 -7.2 5.4 25 27 A Y T 3 S+ 0 0 109 1,-0.2 52,-2.3 51,-0.1 2,-0.4 0.568 115.4 114.3 63.6 12.4 20.6 -7.0 9.1 26 28 A K E < -BD 23 76A 79 -3,-1.6 -3,-2.3 50,-0.2 2,-0.5 -0.885 63.2-131.3-112.2 146.6 21.4 -3.3 8.7 27 29 A V E -BD 22 75A 0 48,-3.2 47,-2.8 -2,-0.4 48,-1.0 -0.856 21.5-165.7-101.5 127.3 19.5 -0.5 10.5 28 30 A Y E -BD 21 73A 14 -7,-2.7 -7,-1.7 -2,-0.5 2,-0.8 -0.920 15.6-150.4-115.2 134.5 18.3 2.5 8.5 29 31 A D E +B 20 0A 52 43,-2.5 3,-0.3 -2,-0.4 -9,-0.2 -0.887 24.0 168.3-101.2 103.5 17.0 5.8 9.8 30 32 A L >> + 0 0 14 -11,-2.3 3,-1.6 -2,-0.8 4,-1.3 0.220 35.2 118.8-101.5 14.4 14.6 7.0 7.1 31 33 A T T 34 S+ 0 0 42 -12,-0.5 3,-0.3 1,-0.3 4,-0.2 0.872 83.7 35.2 -45.6 -49.6 13.0 9.8 9.1 32 34 A K T 34 S+ 0 0 198 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.405 112.9 60.6 -90.1 2.5 14.1 12.5 6.6 33 35 A F T X> S+ 0 0 33 -3,-1.6 4,-1.8 1,-0.1 3,-1.4 0.591 76.1 93.8-101.8 -16.0 13.7 10.4 3.5 34 36 A L T 3< S+ 0 0 9 -4,-1.3 3,-0.3 -3,-0.3 -2,-0.1 0.862 89.8 40.4 -45.1 -51.1 10.0 9.7 4.0 35 37 A E T 34 S+ 0 0 170 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.621 115.9 51.5 -78.3 -12.1 8.8 12.6 1.8 36 38 A E T <4 S+ 0 0 143 -3,-1.4 -1,-0.2 4,-0.1 -2,-0.2 0.646 78.7 114.8 -96.6 -18.1 11.4 12.0 -0.9 37 39 A H >< - 0 0 27 -4,-1.8 3,-2.5 -3,-0.3 7,-0.1 -0.350 60.7-146.5 -59.2 118.1 10.8 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 0.808 99.6 55.7 -54.7 -32.1 9.5 7.7 -4.9 39 41 A G T 3 S- 0 0 53 1,-0.2 4,-0.3 2,-0.0 -2,-0.1 0.390 119.5-106.8 -83.6 4.5 7.4 4.8 -3.6 40 42 A G < - 0 0 31 -3,-2.5 4,-0.3 1,-0.1 -1,-0.2 -0.044 19.9 -95.1 92.4 163.6 5.7 7.1 -1.1 41 43 A E S > S+ 0 0 75 1,-0.1 4,-2.5 2,-0.1 3,-0.5 0.722 111.2 71.1 -90.9 -22.2 6.0 7.5 2.7 42 44 A A H > S+ 0 0 64 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.860 95.6 52.7 -61.7 -38.4 3.0 5.2 3.5 43 45 A V H 4 S+ 0 0 67 -4,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.766 112.5 46.7 -69.8 -24.4 4.9 2.1 2.5 44 46 A L H >> S+ 0 0 19 -3,-0.5 4,-1.0 -4,-0.3 3,-0.7 0.900 109.2 50.9 -83.3 -44.3 7.8 3.0 4.7 45 47 A R H 3< S+ 0 0 107 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.849 104.8 59.2 -62.0 -34.0 5.7 3.9 7.8 46 48 A E T 3< S+ 0 0 151 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.794 112.0 39.3 -65.4 -28.6 3.9 0.6 7.6 47 49 A Q T X4 S+ 0 0 54 -3,-0.7 3,-1.7 -4,-0.5 -25,-0.3 0.537 87.8 132.0 -97.1 -8.8 7.2 -1.3 7.9 48 50 A A T 3< + 0 0 16 -4,-1.0 -27,-0.2 -3,-0.3 -34,-0.1 -0.094 69.3 19.7 -48.3 134.3 8.7 1.1 10.5 49 51 A G T 3 S+ 0 0 15 -29,-3.9 -1,-0.2 -36,-0.3 2,-0.2 0.423 118.0 63.1 86.4 -1.1 10.3 -0.5 13.5 50 52 A G S < S- 0 0 23 -3,-1.7 -28,-2.9 -30,-0.3 2,-0.5 -0.701 94.4 -64.1-139.5-168.7 10.7 -3.9 11.9 51 53 A D B +c 22 0A 80 -2,-0.2 -28,-0.2 -30,-0.2 4,-0.1 -0.745 40.1 169.5 -87.3 122.0 12.4 -6.0 9.2 52 54 A A > + 0 0 6 -30,-2.9 4,-2.3 -2,-0.5 5,-0.2 0.155 38.8 117.8-116.6 16.8 11.3 -4.9 5.7 53 55 A T H > S+ 0 0 23 -31,-0.4 4,-2.4 1,-0.2 5,-0.3 0.908 75.2 47.6 -51.8 -51.9 13.8 -6.9 3.7 54 56 A A H > S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.933 113.6 46.6 -58.4 -48.6 11.3 -9.1 1.9 55 57 A N H > S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.864 111.7 53.3 -62.1 -35.8 9.1 -6.2 0.8 56 58 A F H <>S+ 0 0 31 -4,-2.3 5,-1.0 1,-0.2 4,-0.3 0.920 115.0 39.1 -64.5 -46.5 12.1 -4.2 -0.3 57 59 A E H ><5S+ 0 0 71 -4,-2.4 3,-0.7 -5,-0.2 -2,-0.2 0.806 107.0 67.3 -73.2 -31.0 13.4 -7.0 -2.5 58 60 A D H 3<5S+ 0 0 142 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.864 103.1 43.4 -58.4 -39.9 9.8 -7.9 -3.6 59 61 A V T 3<5S- 0 0 101 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.574 110.7-130.0 -82.8 -9.6 9.5 -4.6 -5.5 60 62 A G T < 5 - 0 0 47 -3,-0.7 -3,-0.2 -4,-0.3 -2,-0.1 0.931 21.4-144.8 63.0 55.2 13.0 -5.1 -6.9 61 63 A H < - 0 0 54 -5,-1.0 -1,-0.1 1,-0.1 -5,-0.0 -0.061 18.6-111.7 -51.1 147.7 14.7 -1.8 -6.2 62 64 A S > - 0 0 70 1,-0.1 4,-1.9 4,-0.0 5,-0.2 -0.125 26.2-102.4 -75.7 172.5 17.3 -0.6 -8.7 63 65 A T H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 122.8 52.2 -62.4 -43.2 21.0 -0.3 -8.3 64 66 A D H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.892 107.8 51.8 -60.8 -41.2 20.8 3.5 -7.8 65 67 A A H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.902 111.2 47.2 -62.5 -41.8 18.2 3.0 -5.1 66 68 A R H X S+ 0 0 81 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.890 110.3 51.7 -68.3 -39.5 20.4 0.5 -3.2 67 69 A E H < S+ 0 0 106 -4,-2.4 3,-0.4 1,-0.2 4,-0.3 0.903 111.6 47.8 -63.7 -39.7 23.5 2.8 -3.5 68 70 A L H >< S+ 0 0 86 -4,-2.1 3,-1.8 1,-0.2 4,-0.3 0.869 100.8 65.5 -68.2 -38.0 21.5 5.7 -2.1 69 71 A S H >< S+ 0 0 21 -4,-1.9 3,-2.0 1,-0.3 4,-0.2 0.817 86.8 71.7 -56.0 -31.8 20.1 3.6 0.8 70 72 A K G >< S+ 0 0 116 -4,-1.0 3,-1.3 -3,-0.4 -1,-0.3 0.781 85.5 65.9 -56.9 -28.1 23.7 3.2 2.2 71 73 A T G < S+ 0 0 98 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.725 98.6 54.0 -68.5 -18.4 23.7 6.9 3.3 72 74 A F G < S+ 0 0 48 -3,-2.0 -43,-2.5 -4,-0.3 2,-0.3 0.369 77.5 120.1 -97.2 3.2 20.9 6.1 5.8 73 75 A I E < + D 0 28A 55 -3,-1.3 -45,-0.2 -45,-0.2 3,-0.1 -0.539 27.2 168.0 -72.0 129.9 22.6 3.2 7.6 74 76 A I E - 0 0 57 -47,-2.8 2,-0.3 1,-0.3 -46,-0.2 0.427 61.4 -47.4-118.4 -5.3 23.1 3.9 11.4 75 77 A G E - D 0 27A 7 -48,-1.0 -48,-3.2 -73,-0.1 -1,-0.3 -0.993 59.9 -80.7 166.6-165.3 24.1 0.4 12.5 76 78 A E E -aD 4 26A 60 -73,-2.4 -71,-2.6 -2,-0.3 2,-0.3 -0.887 42.9 -91.7-130.9 162.6 23.4 -3.3 12.4 77 79 A L E -a 5 0A 6 -52,-2.3 -71,-0.2 -2,-0.3 5,-0.1 -0.565 53.5-101.0 -74.8 131.2 21.1 -5.7 14.1 78 80 A H > - 0 0 59 -73,-3.3 3,-2.2 -2,-0.3 4,-0.4 -0.257 28.1-124.5 -53.5 131.2 22.6 -7.3 17.2 79 81 A P G > S+ 0 0 62 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.800 108.2 62.2 -47.4 -36.9 23.9 -10.8 16.5 80 82 A D G 3 S+ 0 0 136 1,-0.3 -2,-0.1 2,-0.2 -74,-0.1 0.747 102.8 50.0 -65.8 -23.7 21.8 -12.3 19.3 81 83 A D G < 0 0 63 -3,-2.2 -1,-0.3 1,-0.1 -3,-0.1 0.409 360.0 360.0 -94.2 1.3 18.6 -11.2 17.6 82 84 A R < 0 0 135 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.1 0.909 360.0 360.0 -85.1 360.0 19.5 -12.6 14.2