==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 11-SEP-06 2IBJ . COMPND 2 MOLECULE: CYTOCHROME B5; . SOURCE 2 ORGANISM_SCIENTIFIC: MUSCA DOMESTICA; . AUTHOR S.TERZYAN,X.C.ZHANG,D.R.BENSON,L.WANG . 86 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 15.1 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 2.3 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 . 5 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 19.8 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 1 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 . 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 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 1 A S 0 0 180 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 22.0 -17.0 19.7 34.7 2 2 A E - 0 0 159 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.646 360.0-162.2 -83.3 152.0 -14.2 17.4 33.5 3 3 A D + 0 0 158 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 -0.093 32.9 145.2-131.7 39.2 -13.3 18.3 29.8 4 4 A V - 0 0 51 73,-0.0 2,-0.4 1,-0.0 73,-0.1 -0.540 40.0-143.4 -74.8 137.0 -11.5 15.2 28.8 5 5 A K - 0 0 133 71,-0.3 73,-2.1 -2,-0.2 2,-0.4 -0.876 14.2-143.1-101.2 136.7 -11.9 14.0 25.1 6 6 A Y E -a 78 0A 113 -2,-0.4 2,-0.3 71,-0.2 73,-0.2 -0.884 17.5-170.4-108.9 134.1 -12.0 10.3 24.6 7 7 A F E -a 79 0A 14 71,-2.5 73,-2.3 -2,-0.4 2,-0.2 -0.805 17.2-130.2-119.0 155.3 -10.5 8.6 21.5 8 8 A T > - 0 0 36 -2,-0.3 4,-2.3 71,-0.2 5,-0.2 -0.648 29.2-114.4 -96.9 164.2 -10.5 5.1 20.1 9 9 A R H > S+ 0 0 74 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.873 118.6 56.7 -66.9 -31.4 -7.4 3.2 19.1 10 10 A A H > S+ 0 0 65 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.903 106.9 49.3 -66.3 -38.9 -8.5 3.5 15.4 11 11 A E H >4 S+ 0 0 89 1,-0.2 3,-1.2 2,-0.2 4,-0.5 0.933 111.1 48.9 -64.1 -43.9 -8.7 7.3 15.7 12 12 A V H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 10,-0.3 0.884 103.6 61.5 -60.4 -40.4 -5.2 7.3 17.2 13 13 A A H 3< S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.665 93.7 63.5 -61.7 -18.2 -3.9 5.1 14.4 14 14 A K T << S+ 0 0 157 -3,-1.2 2,-1.1 -4,-0.6 -1,-0.3 0.694 92.3 66.2 -74.8 -21.6 -4.8 7.8 11.8 15 15 A N S < S+ 0 0 23 -3,-1.8 7,-1.7 -4,-0.5 36,-0.7 -0.651 70.6 131.3-100.7 75.8 -2.3 10.1 13.5 16 16 A N E +E 21 0B 92 -2,-1.1 2,-0.3 34,-0.2 5,-0.2 -0.007 40.1 72.6-125.1 25.3 0.7 7.9 12.5 17 17 A T E > S-E 20 0B 57 3,-0.9 3,-1.9 32,-0.1 5,-0.1 -0.881 89.7 -96.9-133.6 166.9 3.4 10.0 10.9 18 18 A K T > S+ 0 0 119 -2,-0.3 3,-0.5 1,-0.3 18,-0.2 0.773 121.2 57.7 -58.2 -24.2 5.9 12.5 12.2 19 19 A D T 3 S+ 0 0 117 1,-0.3 -1,-0.3 15,-0.0 14,-0.1 0.526 123.7 22.1 -84.6 -4.6 3.7 15.4 11.3 20 20 A K E < S+E 17 0B 103 -3,-1.9 2,-1.3 13,-0.1 -3,-0.9 -0.519 85.7 175.8-153.1 71.3 0.8 14.1 13.4 21 21 A N E < +E 16 0B 0 -3,-0.5 11,-2.5 -5,-0.2 2,-0.2 -0.636 9.3 158.9 -98.7 87.5 2.7 11.9 15.8 22 22 A W E +B 31 0A 25 -7,-1.7 29,-3.4 -2,-1.3 30,-0.5 -0.647 8.0 165.8-103.2 157.2 0.3 10.6 18.4 23 23 A F E -Bc 30 52A 13 7,-2.2 7,-3.2 -2,-0.2 2,-0.4 -0.985 30.6-116.7-159.6 165.7 0.6 7.6 20.7 24 24 A I E +Bc 29 53A 3 28,-2.4 30,-2.5 -2,-0.3 31,-0.6 -0.908 23.8 178.3-107.1 135.3 -1.0 6.0 23.7 25 25 A I E > S-B 28 0A 5 3,-2.4 3,-2.1 -2,-0.4 -2,-0.0 -0.970 76.9 -16.6-136.0 121.9 0.8 5.5 27.0 26 26 A H T 3 S- 0 0 88 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.886 126.6 -56.1 51.0 44.0 -1.2 4.0 29.9 27 27 A N T 3 S+ 0 0 13 1,-0.2 52,-2.6 51,-0.1 2,-0.3 0.521 113.7 116.9 69.0 4.2 -4.5 4.8 28.2 28 28 A N E < -BD 25 78A 36 -3,-2.1 -3,-2.4 50,-0.2 2,-0.5 -0.808 61.3-134.9 -95.9 146.4 -3.7 8.5 27.9 29 29 A V E -BD 24 77A 0 48,-2.9 47,-3.2 -2,-0.3 48,-1.4 -0.903 23.0-170.7-105.1 128.5 -3.4 9.9 24.3 30 30 A Y E -BD 23 75A 17 -7,-3.2 -7,-2.2 -2,-0.5 2,-0.6 -0.924 19.7-155.1-119.6 143.1 -0.5 12.1 23.5 31 31 A D E +B 22 0A 48 43,-2.9 3,-0.3 -2,-0.4 -9,-0.2 -0.961 19.9 170.1-112.6 105.7 0.3 14.3 20.5 32 32 A V >> + 0 0 6 -11,-2.5 3,-1.8 -2,-0.6 4,-1.0 0.156 36.7 119.3-102.7 23.1 4.1 14.7 20.5 33 33 A T G >4 S+ 0 0 46 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.892 83.0 42.5 -56.2 -39.2 4.5 16.3 17.0 34 34 A A G 34 S+ 0 0 85 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.440 111.2 56.9 -89.7 2.6 6.0 19.4 18.6 35 35 A F G X> S+ 0 0 21 -3,-1.8 3,-2.2 1,-0.1 4,-1.3 0.569 73.5 100.5-103.7 -11.1 8.2 17.5 21.0 36 36 A L T << S+ 0 0 8 -4,-1.0 3,-0.4 -3,-0.6 10,-0.1 0.837 90.2 36.5 -48.5 -44.4 10.1 15.3 18.4 37 37 A N T 34 S+ 0 0 129 1,-0.2 -1,-0.3 6,-0.1 -2,-0.1 0.404 114.2 57.3 -90.9 2.8 13.3 17.5 18.5 38 38 A E T <4 S+ 0 0 138 -3,-2.2 -1,-0.2 4,-0.1 -2,-0.2 0.528 78.9 109.0-101.7 -14.4 13.1 18.3 22.2 39 39 A H >< - 0 0 27 -4,-1.3 3,-2.3 -3,-0.4 7,-0.1 -0.507 62.4-148.4 -70.9 125.9 13.1 14.6 23.3 40 40 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.778 100.2 56.7 -64.0 -23.3 16.4 13.6 24.9 41 41 A G T 3 S- 0 0 51 1,-0.2 4,-0.4 2,-0.0 -2,-0.1 0.371 118.7-109.9 -90.1 10.1 16.0 10.1 23.6 42 42 A G < - 0 0 31 -3,-2.3 4,-0.5 1,-0.1 -1,-0.2 0.016 23.0 -86.7 86.1 164.5 15.7 11.5 20.0 43 43 A E S >> S+ 0 0 65 1,-0.2 4,-2.5 2,-0.1 3,-0.7 0.844 110.8 67.0 -80.5 -31.5 13.0 11.8 17.5 44 44 A E H 3> S+ 0 0 101 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.864 95.5 55.3 -63.7 -35.9 13.1 8.3 15.8 45 45 A V H 34 S+ 0 0 72 -4,-0.4 4,-0.5 1,-0.2 -1,-0.3 0.866 113.7 44.0 -65.3 -26.2 12.0 6.3 18.8 46 46 A L H X4 S+ 0 0 16 -3,-0.7 3,-0.7 -4,-0.5 4,-0.2 0.888 111.3 50.7 -81.9 -40.1 8.9 8.6 18.9 47 47 A I H >< S+ 0 0 34 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.883 104.6 60.4 -64.2 -37.5 8.2 8.5 15.2 48 48 A E T 3< S+ 0 0 111 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.780 107.0 46.9 -59.3 -29.4 8.4 4.6 15.3 49 49 A Q T X S+ 0 0 23 -3,-0.7 3,-2.4 -4,-0.5 -1,-0.3 0.394 79.4 137.0 -93.9 7.2 5.5 4.7 17.8 50 50 A A T < S+ 0 0 7 -3,-1.7 -34,-0.2 1,-0.3 -27,-0.2 -0.252 79.7 7.2 -61.1 127.8 3.3 7.1 15.8 51 51 A G T 3 S+ 0 0 12 -29,-3.4 -1,-0.3 -36,-0.7 -28,-0.2 0.380 114.4 102.3 84.4 -1.4 -0.3 5.9 15.9 52 52 A K E < S-c 23 0A 109 -3,-2.4 -28,-2.4 -30,-0.5 2,-0.8 -0.584 83.5-101.4-113.3 172.6 0.5 3.1 18.4 53 53 A D E +c 24 0A 50 -30,-0.2 3,-0.2 -2,-0.2 -28,-0.2 -0.846 39.6 179.8 -90.3 110.7 0.1 2.1 22.0 54 54 A A > + 0 0 4 -30,-2.5 4,-2.5 -2,-0.8 5,-0.3 0.219 41.4 118.0 -97.2 11.3 3.8 2.9 23.1 55 55 A T H > S+ 0 0 24 -31,-0.6 4,-2.5 1,-0.2 5,-0.2 0.895 74.4 45.0 -52.0 -50.3 3.2 1.9 26.8 56 56 A E H > S+ 0 0 138 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.906 114.6 48.3 -63.9 -42.2 5.6 -1.0 26.9 57 57 A H H > S+ 0 0 98 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.891 112.3 49.3 -64.4 -37.6 8.4 0.9 25.1 58 58 A F H X>S+ 0 0 22 -4,-2.5 4,-0.9 1,-0.2 5,-0.5 0.923 113.5 46.4 -66.1 -46.5 7.9 3.9 27.4 59 59 A E H ><5S+ 0 0 81 -4,-2.5 3,-0.6 -5,-0.3 -2,-0.2 0.874 102.9 62.4 -65.3 -37.6 8.0 1.7 30.5 60 60 A D H 3<5S+ 0 0 118 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.847 102.6 53.0 -57.9 -33.0 11.1 -0.2 29.4 61 61 A V H 3<5S- 0 0 99 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.834 98.4-141.3 -73.0 -30.7 13.0 3.1 29.5 62 62 A G T <<5 - 0 0 57 -4,-0.9 -3,-0.1 -3,-0.6 -2,-0.1 0.995 22.2-148.8 65.2 61.8 12.0 3.9 33.1 63 63 A H < - 0 0 43 -5,-0.5 -1,-0.1 1,-0.1 2,-0.0 -0.208 12.7-110.1 -62.9 152.0 11.5 7.7 32.6 64 64 A S > - 0 0 69 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.177 28.3-100.1 -78.5 171.8 12.2 10.1 35.4 65 65 A S H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 125.2 51.1 -55.9 -44.0 9.8 12.2 37.5 66 66 A D H > S+ 0 0 129 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 110.1 48.2 -66.5 -37.0 10.7 15.2 35.3 67 67 A A H > S+ 0 0 22 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.919 111.1 51.4 -66.8 -42.4 10.0 13.3 32.1 68 68 A R H X S+ 0 0 123 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.888 113.2 45.0 -62.4 -40.7 6.6 12.0 33.5 69 69 A E H >< S+ 0 0 116 -4,-2.4 3,-1.1 -5,-0.2 4,-0.4 0.925 109.0 56.3 -71.1 -38.0 5.7 15.6 34.4 70 70 A M H >< S+ 0 0 81 -4,-2.4 3,-0.9 1,-0.3 4,-0.3 0.796 98.2 64.8 -58.8 -32.8 6.8 16.9 30.9 71 71 A M H >< S+ 0 0 26 -4,-1.6 3,-2.1 1,-0.2 4,-0.4 0.833 84.6 72.8 -63.1 -30.8 4.5 14.5 29.3 72 72 A K G X< S+ 0 0 128 -3,-1.1 3,-1.3 -4,-0.6 -1,-0.2 0.826 87.4 61.2 -58.0 -33.0 1.4 16.1 30.6 73 73 A Q G < S+ 0 0 132 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.601 104.9 50.3 -69.5 -12.2 1.6 19.1 28.3 74 74 A Y G < S+ 0 0 40 -3,-2.1 -43,-2.9 -4,-0.3 2,-0.3 0.426 81.3 117.1-104.7 -1.0 1.3 16.8 25.4 75 75 A K E < + D 0 30A 79 -3,-1.3 -45,-0.3 -4,-0.4 3,-0.1 -0.527 31.0 171.5 -69.8 131.9 -1.8 14.9 26.6 76 76 A V E - 0 0 57 -47,-3.2 -71,-0.3 -2,-0.3 2,-0.3 0.500 58.5 -48.0-116.4 -11.8 -4.8 15.4 24.3 77 77 A G E - D 0 29A 4 -48,-1.4 -48,-2.9 -73,-0.1 2,-0.3 -0.979 55.7 -89.8 171.9-160.0 -7.3 12.8 25.7 78 78 A E E -aD 6 28A 53 -73,-2.1 -71,-2.5 -2,-0.3 -50,-0.2 -0.927 40.3 -93.5-140.0 157.6 -7.8 9.3 27.0 79 79 A L E -a 7 0A 3 -52,-2.6 -71,-0.2 -2,-0.3 5,-0.1 -0.483 45.4 -99.8 -74.0 146.7 -8.9 6.0 25.5 80 80 A V > - 0 0 35 -73,-2.3 3,-1.6 -2,-0.2 4,-0.4 -0.382 39.9-118.4 -55.2 142.6 -12.6 5.0 25.5 81 81 A A G > S+ 0 0 71 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.820 108.3 63.2 -63.1 -33.4 -12.8 2.5 28.4 82 82 A E G 3 S+ 0 0 179 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.736 109.2 42.3 -65.4 -17.1 -13.9 -0.5 26.4 83 83 A E G < S+ 0 0 55 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.365 89.1 126.5-106.1 1.9 -10.5 -0.4 24.5 84 84 A R < - 0 0 103 -3,-1.4 2,-0.8 -4,-0.4 -3,-0.0 -0.242 67.0-120.9 -63.1 149.1 -8.4 0.3 27.6 85 85 A S 0 0 57 1,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.812 360.0 360.0 -81.7 114.1 -5.4 -1.8 28.5 86 86 A N 0 0 177 -2,-0.8 -59,-0.0 -3,-0.0 -60,-0.0 -0.314 360.0 360.0 -99.2 360.0 -6.5 -3.0 32.0