==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 23-MAY-98 1BFX . COMPND 2 MOLECULE: CYTOCHROME B5; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR F.ARNESANO,L.BANCI,I.BERTINI,I.C.FELLI . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 10.6 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 . 1 1.1 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 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 2 1 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 . 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 . 0 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 1 A D 0 0 188 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.5 -0.5 18.7 -7.6 2 2 A K - 0 0 165 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.779 360.0-178.8 177.3 160.9 -1.1 15.0 -7.9 3 3 A D - 0 0 131 1,-0.3 0, 0.0 -2,-0.2 0, 0.0 -0.770 24.1-127.1-139.5 172.9 -2.2 12.4 -10.4 4 4 A V - 0 0 45 -2,-0.3 -1,-0.3 73,-0.0 24,-0.0 0.484 8.6-143.1 -96.7-118.7 -2.6 8.6 -10.1 5 5 A K - 0 0 121 2,-0.0 2,-0.2 74,-0.0 75,-0.1 0.137 26.7-132.0 134.8 73.5 -1.1 6.1 -12.6 6 6 A Y - 0 0 119 71,-0.2 2,-0.3 73,-0.1 73,-0.2 -0.432 32.6-172.0 -51.6 114.6 -3.8 3.4 -12.9 7 7 A Y B -a 79 0A 58 71,-2.7 73,-2.6 -2,-0.2 2,-0.1 -0.894 17.9-122.2-119.0 145.6 -1.8 0.2 -12.3 8 8 A T > - 0 0 47 -2,-0.3 4,-2.7 71,-0.2 5,-0.3 -0.447 28.0-107.1 -84.3 160.3 -3.0 -3.4 -12.8 9 9 A L H > S+ 0 0 60 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.933 120.2 49.0 -50.0 -55.4 -3.0 -6.1 -10.1 10 10 A E H > S+ 0 0 128 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 111.6 48.7 -51.6 -51.4 -0.1 -8.0 -11.8 11 11 A E H > S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.972 116.0 42.6 -55.8 -55.1 2.0 -4.8 -12.2 12 12 A I H < S+ 0 0 2 -4,-2.7 10,-0.3 1,-0.2 -2,-0.2 0.910 110.9 56.5 -57.4 -45.0 1.5 -3.8 -8.5 13 13 A Q H < S+ 0 0 111 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.859 103.2 54.3 -58.6 -40.4 2.0 -7.5 -7.4 14 14 A K H >< S+ 0 0 139 -4,-2.4 2,-2.5 -3,-0.3 3,-0.9 0.939 97.4 69.4 -57.1 -46.5 5.4 -7.5 -9.1 15 15 A H T 3< S+ 0 0 59 -4,-1.8 7,-2.0 1,-0.2 36,-0.3 -0.425 76.9 87.4 -73.4 71.8 6.2 -4.3 -7.1 16 16 A K T 3 S+ 0 0 102 -2,-2.5 -1,-0.2 5,-0.2 -2,-0.1 0.547 70.6 72.1-126.9 -39.9 6.4 -6.2 -3.7 17 17 A D S X S- 0 0 107 -3,-0.9 2,-2.5 -4,-0.2 3,-1.5 -0.292 100.8 -21.8 -81.8 165.1 10.0 -7.4 -3.4 18 18 A S T 3 S+ 0 0 92 1,-0.2 3,-0.1 3,-0.1 -1,-0.1 -0.136 130.6 8.5 53.7 -64.7 13.4 -5.7 -2.7 19 19 A K T 3 S+ 0 0 170 -2,-2.5 -1,-0.2 1,-0.2 2,-0.1 0.207 119.7 55.1-147.3 5.2 12.8 -2.0 -3.6 20 20 A S < + 0 0 30 -3,-1.5 2,-1.9 -6,-0.1 -1,-0.2 -0.570 54.8 179.6-146.9 77.6 9.2 -1.3 -4.4 21 21 A T + 0 0 1 -3,-0.1 11,-2.7 -2,-0.1 -5,-0.2 -0.622 23.1 164.5 -80.9 80.5 7.0 -2.4 -1.5 22 22 A W E -B 31 0B 23 -7,-2.0 29,-3.0 -2,-1.9 2,-0.3 -0.478 12.6-176.9 -89.5 169.7 3.7 -1.3 -3.1 23 23 A V E -B 30 0B 3 7,-2.0 7,-2.8 27,-0.2 2,-0.5 -0.966 28.4-116.0-157.4 158.8 0.3 -2.4 -1.8 24 24 A I E -Bc 29 53B 38 28,-1.4 30,-1.5 -2,-0.3 31,-0.8 -0.901 33.4-178.7 -97.4 127.1 -3.4 -2.1 -2.7 25 25 A L E > -B 28 0B 7 3,-3.0 2,-2.8 -2,-0.5 3,-2.4 -0.999 63.5 -31.9-127.8 133.7 -5.4 -0.2 -0.1 26 26 A H T 3 S- 0 0 89 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.309 128.8 -37.0 61.4 -61.6 -9.3 0.4 -0.3 27 27 A H T 3 S+ 0 0 101 -2,-2.8 52,-1.4 1,-0.1 2,-0.3 0.032 124.2 75.1-176.0 32.4 -9.2 0.6 -4.2 28 28 A K E < S-BD 25 78B 59 -3,-2.4 -3,-3.0 50,-0.2 2,-0.4 -0.947 75.6-103.8-151.0 166.8 -5.9 2.4 -4.9 29 29 A V E -BD 24 77B 0 48,-2.6 47,-2.9 -2,-0.3 48,-1.5 -0.794 28.6-171.0-104.1 137.7 -2.1 1.8 -4.9 30 30 A Y E -BD 23 75B 15 -7,-2.8 -7,-2.0 -2,-0.4 2,-0.4 -0.948 17.3-142.1-121.4 144.8 0.4 2.9 -2.2 31 31 A D E +B 22 0B 41 43,-2.8 -9,-0.2 -2,-0.3 -11,-0.0 -0.910 23.4 168.5 -94.0 132.5 4.2 2.8 -2.2 32 32 A L > + 0 0 15 -11,-2.7 4,-1.5 -2,-0.4 7,-0.1 0.035 38.0 118.9-127.3 25.5 5.5 2.0 1.3 33 33 A T T >4 S+ 0 0 33 2,-0.2 3,-0.9 1,-0.2 4,-0.3 0.972 87.6 23.6 -57.4 -69.5 9.2 1.4 0.2 34 34 A K T >> S+ 0 0 187 1,-0.2 4,-0.8 2,-0.1 3,-0.7 0.841 118.1 66.6 -67.6 -28.9 11.0 4.1 2.3 35 35 A F H 3> S+ 0 0 29 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.754 75.4 94.5 -62.1 -26.0 8.1 4.0 4.7 36 36 A L H << S+ 0 0 16 -4,-1.5 -1,-0.2 -3,-0.9 6,-0.2 0.803 98.1 23.7 -29.1 -63.5 9.1 0.4 5.7 37 37 A E H <4 S+ 0 0 183 -3,-0.7 -1,-0.2 -4,-0.3 4,-0.2 0.884 119.5 59.4 -81.4 -40.5 11.2 1.5 8.7 38 38 A E H < S+ 0 0 147 -4,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.853 78.2 108.2 -51.2 -42.6 9.5 4.9 9.4 39 39 A H S >< S- 0 0 26 -4,-3.1 2,-2.6 1,-0.2 3,-1.4 -0.210 71.9-139.7 -46.5 106.3 6.1 3.1 9.8 40 40 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.407 95.5 49.3 -75.3 74.2 5.4 3.3 13.6 41 41 A G T 3 S- 0 0 68 -2,-2.6 2,-0.2 -4,-0.2 4,-0.1 0.102 118.2 -72.4-176.6 -42.6 4.1 -0.3 13.8 42 42 A G <> - 0 0 27 -3,-1.4 4,-0.6 -6,-0.2 -5,-0.1 -0.487 20.4-119.6 144.3 153.3 6.8 -2.3 12.0 43 43 A E H >> S+ 0 0 82 -2,-0.2 4,-2.4 2,-0.1 3,-0.6 0.907 102.2 63.3 -69.8 -50.2 8.3 -3.2 8.6 44 44 A E H 3> S+ 0 0 152 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.877 97.7 52.3 -62.9 -47.8 7.6 -6.9 8.7 45 45 A V H 3> S+ 0 0 55 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.909 113.5 47.8 -47.4 -47.3 3.8 -6.7 8.7 46 46 A L H < S+ 0 0 41 -4,-1.8 3,-2.5 -3,-0.4 -2,-0.2 0.600 87.1 136.2 -83.5 -15.3 1.3 -7.6 3.0 50 50 A A T 3< S- 0 0 5 -4,-1.7 -27,-0.2 1,-0.3 -34,-0.1 -0.040 81.2 -2.7 -42.6 128.9 3.5 -6.3 0.2 51 51 A G T 3 S+ 0 0 15 -29,-3.0 -1,-0.3 -36,-0.3 2,-0.2 0.670 122.6 90.7 50.1 25.2 1.7 -6.3 -3.2 52 52 A G S < S- 0 0 28 -3,-2.5 -28,-1.4 -30,-0.2 2,-0.3 -0.664 95.4 -69.2-122.1-178.4 -1.3 -8.0 -1.5 53 53 A D B +c 24 0B 62 -2,-0.2 -28,-0.2 1,-0.2 -3,-0.0 -0.646 51.9 161.2 -74.0 133.0 -4.4 -6.5 0.2 54 54 A A >> + 0 0 10 -30,-1.5 4,-3.0 -2,-0.3 3,-0.9 0.421 61.1 78.4-128.1 -10.6 -3.5 -4.7 3.4 55 55 A T H 3> S+ 0 0 19 -31,-0.8 4,-3.2 1,-0.2 5,-0.3 0.935 88.4 63.5 -58.0 -44.4 -6.6 -2.5 3.8 56 56 A E H 34 S+ 0 0 54 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.719 113.1 33.6 -54.0 -24.3 -8.2 -5.7 5.2 57 57 A N H <> S+ 0 0 67 -3,-0.9 4,-1.8 37,-0.2 -2,-0.2 0.868 117.8 52.0 -94.3 -53.6 -5.6 -5.6 8.0 58 58 A F H X S+ 0 0 38 -4,-3.0 4,-2.3 1,-0.2 5,-0.4 0.864 106.9 54.1 -43.0 -54.0 -5.3 -1.8 8.4 59 59 A E H < S+ 0 0 93 -4,-3.2 -1,-0.2 2,-0.3 -3,-0.1 0.909 104.8 51.4 -61.6 -46.9 -9.1 -1.3 8.7 60 60 A D H 4 S+ 0 0 114 -4,-0.4 -1,-0.2 -5,-0.3 -2,-0.2 0.919 114.5 46.3 -52.4 -44.8 -9.6 -3.7 11.6 61 61 A V H < S- 0 0 95 -4,-1.8 -2,-0.3 0, 0.0 -1,-0.2 0.854 103.6-144.0 -66.5 -37.0 -6.7 -1.8 13.3 62 62 A G < - 0 0 47 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.999 16.0-134.0 69.5 72.7 -8.4 1.6 12.4 63 63 A H - 0 0 62 -5,-0.4 -1,-0.0 1,-0.1 5,-0.0 -0.114 28.9 -86.1 -58.3 156.5 -5.4 3.8 11.7 64 64 A S > - 0 0 86 1,-0.1 4,-1.4 3,-0.0 -1,-0.1 -0.085 32.7-110.1 -64.7 159.1 -5.2 7.3 13.1 65 65 A T T 4 S+ 0 0 117 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.582 117.4 57.8 -68.6 -9.2 -6.8 10.4 11.5 66 66 A D T >> S+ 0 0 106 2,-0.2 3,-2.4 1,-0.1 4,-1.9 0.915 99.5 53.6 -82.5 -54.3 -3.2 11.7 10.7 67 67 A A H 3> S+ 0 0 26 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.847 96.4 73.3 -46.8 -38.3 -2.2 8.7 8.7 68 68 A R H 3< S+ 0 0 187 -4,-1.4 -1,-0.3 1,-0.2 4,-0.3 0.820 106.0 32.8 -48.2 -37.2 -5.4 9.5 6.7 69 69 A E H X4 S+ 0 0 149 -3,-2.4 3,-2.1 -4,-0.3 4,-0.4 0.904 115.8 55.6 -84.6 -47.1 -3.6 12.5 5.2 70 70 A L H >X S+ 0 0 72 -4,-1.9 4,-1.8 1,-0.3 3,-1.7 0.814 96.0 69.4 -57.2 -28.7 -0.1 11.0 5.1 71 71 A S H 3X S+ 0 0 21 -4,-2.9 4,-1.7 1,-0.3 -1,-0.3 0.858 92.6 57.4 -52.3 -38.1 -1.6 8.2 3.1 72 72 A K H <4 S+ 0 0 170 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.593 103.9 52.7 -78.1 -12.4 -2.1 10.6 0.2 73 73 A T H <4 S+ 0 0 106 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.822 112.6 44.0 -81.3 -40.3 1.7 11.3 0.3 74 74 A Y H < S+ 0 0 51 -4,-1.8 -43,-2.8 -44,-0.1 -2,-0.2 0.680 87.2 117.0 -78.0 -21.1 2.3 7.5 0.0 75 75 A I E < +D 30 0B 44 -4,-1.7 -45,-0.3 -45,-0.3 3,-0.1 -0.239 36.4 175.8 -49.8 133.7 -0.3 7.0 -2.7 76 76 A I E - 0 0 33 -47,-2.9 2,-0.3 1,-0.5 -46,-0.2 0.693 56.2 -40.9-112.2 -38.7 1.3 5.8 -6.0 77 77 A G E -D 29 0B 0 -48,-1.5 -48,-2.6 -70,-0.0 -1,-0.5 -0.926 63.6 -85.4-176.7-177.4 -1.5 5.2 -8.4 78 78 A E E -D 28 0B 50 -50,-0.3 -71,-2.7 -2,-0.3 2,-0.5 -0.729 46.7 -89.2-116.1 165.5 -5.1 3.7 -8.6 79 79 A L B -a 7 0A 15 -52,-1.4 -71,-0.2 -2,-0.2 -73,-0.1 -0.632 55.9-106.3 -75.5 117.7 -6.4 0.2 -9.1 80 80 A H > - 0 0 67 -73,-2.6 4,-2.1 -2,-0.5 3,-0.2 -0.190 19.2-127.9 -54.8 136.1 -6.8 -0.2 -12.9 81 81 A P H > S+ 0 0 70 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.673 102.6 72.2 -61.2 -18.0 -10.5 -0.2 -14.0 82 82 A D H >> S+ 0 0 109 2,-0.2 3,-1.0 1,-0.2 4,-0.6 0.998 108.4 27.6 -52.2 -76.1 -9.8 -3.5 -15.8 83 83 A D H >> S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 3,-1.7 0.869 110.2 76.3 -61.3 -34.7 -9.6 -5.7 -12.7 84 84 A R H 3< S+ 0 0 162 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.841 91.4 52.1 -40.6 -49.7 -11.9 -3.2 -10.8 85 85 A S H << S+ 0 0 117 -4,-1.3 -1,-0.3 -3,-1.0 -2,-0.2 0.799 121.3 34.8 -63.5 -29.5 -15.0 -4.6 -12.7 86 86 A K H << + 0 0 150 -3,-1.7 3,-0.3 -4,-0.6 -2,-0.2 0.958 63.8 164.7 -76.6 -69.7 -13.9 -8.1 -11.6 87 87 A I < - 0 0 45 -4,-2.6 2,-0.3 1,-0.2 -3,-0.1 0.942 45.7-137.1 24.6 68.5 -12.4 -7.7 -8.1 88 88 A A - 0 0 69 1,-0.2 -1,-0.2 -5,-0.1 -2,-0.1 -0.376 36.3-109.9 -54.9 106.3 -12.9 -11.4 -8.1 89 89 A K - 0 0 125 -3,-0.3 -1,-0.2 -2,-0.3 2,-0.1 -0.298 12.8-133.7 -78.5 117.0 -14.0 -11.0 -4.7 90 90 A P - 0 0 61 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.545 47.0-119.0 -54.0 123.6 -12.0 -12.2 -1.7 91 91 A S - 0 0 100 -2,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.149 69.8 -35.5 -80.6 20.9 -15.2 -13.6 -0.5 92 92 A E S S+ 0 0 105 -2,-0.9 2,-0.0 2,-0.0 0, 0.0 -0.362 70.5 148.3-179.6-140.6 -15.3 -11.6 2.6 93 93 A T 0 0 90 -2,-0.2 -2,-0.1 -37,-0.1 -37,-0.0 -0.555 360.0 360.0-175.0 64.9 -13.0 -10.5 4.8 94 94 A L 0 0 135 -35,-0.0 -37,-0.2 -2,-0.0 -38,-0.1 -0.879 360.0 360.0 159.6 360.0 -12.3 -7.8 7.0