==== 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 09-OCT-97 1AW3 . 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) . 7141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 3.2 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 . 13 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 13.8 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 1 2 0 1 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 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 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 0 168 0, 0.0 2,-1.8 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 179.1 2.9 -14.4 -14.9 2 2 A K + 0 0 170 1,-0.2 3,-0.1 3,-0.1 0, 0.0 -0.162 360.0 58.7 70.4 -77.9 2.1 -11.8 -17.3 3 3 A D S S- 0 0 120 -2,-1.8 -1,-0.2 3,-0.0 2,-0.2 0.944 104.5 -41.9 -98.5 -66.6 -0.4 -9.4 -16.1 4 4 A V S S- 0 0 51 -3,-0.5 2,-0.3 74,-0.1 73,-0.2 -0.387 78.1 -76.4-138.6-146.8 0.0 -7.3 -13.0 5 5 A K - 0 0 113 -2,-0.2 2,-0.9 24,-0.1 73,-0.6 -0.689 44.1-166.8-127.6 81.2 1.5 -8.7 -9.7 6 6 A Y E -a 78 0A 92 -2,-0.3 2,-0.3 -5,-0.3 73,-0.2 -0.568 17.7-176.5 -62.5 102.3 -1.3 -10.8 -8.2 7 7 A Y E -a 79 0A 54 71,-2.7 73,-2.5 -2,-0.9 2,-0.1 -0.838 20.8-124.0-109.4 143.9 0.1 -11.2 -4.6 8 8 A T > - 0 0 53 -2,-0.3 4,-2.7 71,-0.2 5,-0.2 -0.436 25.9-110.1 -83.0 160.7 -1.4 -13.3 -1.9 9 9 A L H > S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.941 118.7 48.8 -55.6 -52.4 -2.3 -11.9 1.6 10 10 A E H > S+ 0 0 124 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.898 111.2 50.4 -57.6 -45.7 0.5 -13.9 3.3 11 11 A E H >> S+ 0 0 98 2,-0.2 4,-1.4 1,-0.2 3,-1.4 0.978 113.5 44.5 -54.9 -56.9 3.1 -12.8 0.7 12 12 A I H 3< S+ 0 0 3 -4,-2.7 10,-0.2 1,-0.3 -2,-0.2 0.887 107.3 60.7 -58.2 -37.9 2.1 -9.1 1.2 13 13 A Q H 3< S+ 0 0 126 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.766 100.6 54.2 -62.6 -26.7 2.0 -9.6 5.0 14 14 A K H X< S+ 0 0 139 -3,-1.4 2,-2.5 -4,-1.3 3,-0.9 0.913 94.3 76.2 -67.2 -43.0 5.7 -10.5 4.8 15 15 A H T 3< S+ 0 0 49 -4,-1.4 7,-1.8 1,-0.2 36,-0.9 -0.353 73.3 78.5 -73.9 66.7 6.3 -7.2 3.0 16 16 A K T 3 S+ 0 0 112 -2,-2.5 -1,-0.2 34,-0.2 5,-0.2 0.289 70.1 105.5-136.1 -3.8 6.1 -4.9 6.0 17 17 A D S X S- 0 0 115 -3,-0.9 3,-1.3 3,-0.2 34,-0.1 0.133 90.0 -44.4 -74.8-169.5 9.5 -5.4 7.6 18 18 A S T 3 S+ 0 0 86 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.623 131.2 2.5 -7.9 -58.7 12.7 -3.2 7.7 19 19 A K T 3 S+ 0 0 172 1,-0.1 -1,-0.2 0, 0.0 -2,-0.1 -0.108 109.8 75.9-154.0 38.9 12.6 -2.1 4.1 20 20 A S < - 0 0 31 -3,-1.3 2,-1.5 -6,-0.1 -3,-0.2 -0.454 51.9-179.3-149.2 70.9 9.7 -3.3 2.0 21 21 A T + 0 0 0 -5,-0.2 11,-2.5 -3,-0.1 2,-0.2 -0.605 12.8 167.4 -79.4 89.2 6.7 -1.2 3.0 22 22 A W E -B 31 0A 16 -7,-1.8 29,-2.5 -2,-1.5 2,-0.3 -0.652 9.7-176.2 -90.8 158.6 3.8 -2.6 0.9 23 23 A V E -B 30 0A 4 7,-1.8 7,-2.8 -2,-0.2 2,-0.6 -0.970 22.9-132.8-150.6 152.6 0.2 -1.7 1.5 24 24 A I E +B 29 0A 6 28,-2.1 31,-1.0 -2,-0.3 2,-0.6 -0.948 23.9 179.4-112.1 113.5 -3.1 -2.8 -0.0 25 25 A L E > S-B 28 0A 14 3,-2.5 3,-0.8 -2,-0.6 28,-0.0 -0.945 72.0 -21.3-119.3 103.8 -5.5 0.1 -0.8 26 26 A H T 3 S- 0 0 76 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.981 127.0 -45.7 57.1 66.6 -8.8 -1.0 -2.4 27 27 A H T 3 S+ 0 0 102 -3,-0.1 52,-2.8 1,-0.1 2,-0.4 0.327 118.7 107.7 70.5 -7.9 -7.7 -4.5 -3.8 28 28 A K E < -BC 25 78A 82 -3,-0.8 -3,-2.5 50,-0.3 2,-0.5 -0.872 63.5-137.7-114.4 135.6 -4.5 -3.0 -5.2 29 29 A V E -BC 24 77A 0 48,-2.3 47,-2.6 -2,-0.4 48,-1.8 -0.824 20.4-171.8 -97.6 123.7 -1.0 -3.6 -3.9 30 30 A Y E -BC 23 75A 19 -7,-2.8 -7,-1.8 -2,-0.5 2,-0.6 -0.969 17.6-146.1-115.8 128.2 1.3 -0.6 -3.8 31 31 A D E +B 22 0A 42 43,-1.6 -9,-0.2 -2,-0.4 3,-0.1 -0.864 23.5 170.0 -84.7 125.8 5.1 -0.6 -2.9 32 32 A L >> + 0 0 10 -11,-2.5 3,-1.7 -2,-0.6 4,-1.3 0.069 36.6 120.3-122.6 22.7 5.8 2.6 -1.1 33 33 A T T 34 S+ 0 0 32 1,-0.3 3,-0.3 2,-0.2 4,-0.2 0.882 86.3 33.7 -56.5 -46.2 9.3 1.6 0.0 34 34 A K T 34 S+ 0 0 193 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.284 115.0 61.5 -92.6 9.4 10.8 4.6 -1.8 35 35 A F T <> S+ 0 0 18 -3,-1.7 4,-3.1 2,-0.1 -2,-0.2 0.553 73.9 96.4-107.2 -13.9 7.8 6.8 -1.1 36 36 A L T < S+ 0 0 29 -4,-1.3 6,-0.2 -3,-0.3 5,-0.2 0.880 95.9 29.0 -43.8 -60.4 8.1 6.7 2.7 37 37 A E T 4 S+ 0 0 189 -4,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.869 120.0 55.8 -72.8 -38.0 9.9 10.0 3.1 38 38 A E T 4 S+ 0 0 140 -4,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.849 79.2 108.4 -61.5 -39.5 8.4 11.6 -0.0 39 39 A H S >< S- 0 0 24 -4,-3.1 3,-2.6 1,-0.2 2,-2.5 -0.215 75.7-132.7 -46.1 113.4 4.8 11.0 1.2 40 40 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.467 106.8 45.1 -71.7 76.8 3.4 14.5 2.1 41 41 A G T 3 S- 0 0 56 -2,-2.5 4,-0.3 -4,-0.2 -2,-0.1 0.067 117.4-104.8 162.2 -27.7 2.2 13.0 5.4 42 42 A G <> - 0 0 25 -3,-2.6 4,-0.7 -6,-0.2 -5,-0.1 -0.155 17.8 -86.2 112.8 169.9 5.3 11.0 6.4 43 43 A E H > S+ 0 0 85 2,-0.2 4,-2.8 3,-0.1 3,-0.4 0.922 112.4 58.7 -76.7 -48.2 7.0 7.6 6.6 44 44 A E H > S+ 0 0 145 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.908 102.0 51.7 -57.8 -50.5 5.7 6.6 10.1 45 45 A V H > S+ 0 0 77 -4,-0.3 4,-0.6 1,-0.2 -1,-0.3 0.876 116.3 44.1 -54.4 -39.1 1.9 6.7 9.3 46 46 A L H X S+ 0 0 23 -4,-0.7 4,-0.7 -3,-0.4 3,-0.4 0.944 114.8 47.4 -61.4 -54.2 2.7 4.5 6.2 47 47 A R H < S+ 0 0 97 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.653 93.6 80.8 -72.8 -18.7 5.0 2.2 8.2 48 48 A E H < S+ 0 0 142 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 0.944 112.6 11.0 -48.4 -64.4 2.5 1.8 11.1 49 49 A Q H < S+ 0 0 69 -4,-0.6 -2,-0.1 -3,-0.4 -3,-0.1 0.953 89.6 154.9 -79.7 -76.2 0.3 -0.8 9.4 50 50 A A < + 0 0 4 -4,-0.7 -27,-0.2 2,-0.2 -34,-0.2 0.400 52.7 41.3 51.6 161.9 2.3 -1.9 6.3 51 51 A G S S+ 0 0 5 -29,-2.5 2,-0.3 -36,-0.9 -28,-0.2 0.858 115.7 36.8 36.6 56.9 1.9 -5.3 4.5 52 52 A G S S- 0 0 13 -30,-0.2 2,-2.4 -37,-0.1 -28,-2.1 -0.985 107.3 -13.0 164.9-168.6 -1.9 -5.3 4.9 53 53 A D > + 0 0 66 -2,-0.3 3,-0.7 1,-0.2 4,-0.4 -0.321 51.9 150.9 -68.1 70.3 -5.2 -3.4 4.9 54 54 A A T 3> + 0 0 13 -2,-2.4 4,-3.0 -30,-0.3 -1,-0.2 0.484 54.1 95.0 -76.6 -0.4 -4.0 0.2 5.0 55 55 A T H 3> S+ 0 0 32 -31,-1.0 4,-2.9 2,-0.2 5,-0.3 0.940 80.1 53.7 -51.3 -52.6 -7.3 0.9 3.1 56 56 A E H <> S+ 0 0 76 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.946 114.4 39.1 -46.0 -60.1 -9.1 1.6 6.5 57 57 A N H > S+ 0 0 60 -4,-0.4 4,-2.0 37,-0.3 5,-0.3 0.908 114.7 53.8 -63.7 -43.9 -6.5 4.2 7.5 58 58 A F H X S+ 0 0 20 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.904 114.5 41.0 -53.7 -47.2 -6.2 5.7 4.0 59 59 A E H < S+ 0 0 75 -4,-2.9 -2,-0.2 2,-0.3 -1,-0.2 0.761 104.8 64.5 -80.6 -27.9 -10.0 6.2 3.7 60 60 A D H < S+ 0 0 128 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.970 115.5 33.2 -51.6 -50.9 -10.3 7.5 7.4 61 61 A V H < S- 0 0 96 -4,-2.0 2,-1.3 -5,-0.1 -2,-0.3 0.761 103.4-152.6 -74.0 -29.4 -8.1 10.3 6.0 62 62 A G < - 0 0 22 -4,-1.2 -1,-0.1 -5,-0.3 -2,-0.1 -0.346 21.4-136.5 93.4 -53.7 -10.0 9.9 2.6 63 63 A H - 0 0 60 -2,-1.3 -1,-0.1 -3,-0.1 2,-0.0 0.636 16.2 -90.8 69.2 138.5 -7.1 11.2 0.5 64 64 A S >> - 0 0 82 1,-0.1 4,-1.8 4,-0.0 3,-0.6 -0.295 36.1-103.3 -73.6 157.0 -7.3 13.7 -2.5 65 65 A T H 3> S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.875 121.9 60.2 -40.4 -50.3 -7.7 12.8 -6.2 66 66 A D H 3> S+ 0 0 126 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.911 103.8 49.0 -46.5 -53.3 -4.0 13.6 -6.6 67 67 A A H <> S+ 0 0 25 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.905 107.5 56.1 -58.6 -43.3 -3.1 10.8 -4.1 68 68 A R H X S+ 0 0 139 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.958 112.6 40.1 -54.8 -53.7 -5.4 8.4 -6.0 69 69 A E H >X S+ 0 0 142 -4,-2.4 4,-1.3 1,-0.2 3,-0.7 0.941 113.3 55.0 -60.5 -44.9 -3.6 8.9 -9.3 70 70 A L H 3X S+ 0 0 74 -4,-3.0 4,-0.8 1,-0.3 -1,-0.2 0.848 99.0 63.1 -60.8 -31.7 -0.2 8.9 -7.5 71 71 A S H >< S+ 0 0 15 -4,-2.6 3,-1.8 1,-0.2 4,-0.4 0.944 98.6 55.7 -50.3 -49.5 -1.2 5.5 -6.0 72 72 A K H X< S+ 0 0 143 -4,-1.2 3,-2.0 -3,-0.7 -2,-0.2 0.907 99.2 58.6 -56.7 -43.7 -1.2 4.2 -9.6 73 73 A T H 3< S+ 0 0 108 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.758 112.9 41.4 -52.4 -27.0 2.4 5.4 -10.1 74 74 A Y T << S+ 0 0 51 -3,-1.8 -43,-1.6 -4,-0.8 -1,-0.3 0.314 85.1 129.5-103.1 1.8 3.3 3.1 -7.1 75 75 A I E < + C 0 30A 58 -3,-2.0 -45,-0.2 -4,-0.4 3,-0.1 -0.448 23.5 168.1 -65.6 123.3 1.0 0.2 -8.2 76 76 A I E - 0 0 37 -47,-2.6 2,-0.2 1,-0.3 -46,-0.2 0.795 60.2 -59.7 -97.4 -43.5 2.9 -3.1 -8.2 77 77 A G E - C 0 29A 0 -48,-1.8 -48,-2.3 -73,-0.2 -1,-0.3 -0.798 55.4 -80.6-172.5-151.1 -0.1 -5.4 -8.6 78 78 A E E -aC 6 28A 54 -73,-0.6 -71,-2.7 -50,-0.3 2,-0.3 -0.815 47.5 -77.9-134.4 166.9 -3.4 -6.7 -7.0 79 79 A L E -a 7 0A 8 -52,-2.8 -71,-0.2 -2,-0.3 -73,-0.1 -0.566 66.6 -90.3 -65.1 133.5 -4.7 -9.0 -4.4 80 80 A H > - 0 0 69 -73,-2.5 4,-2.6 -2,-0.3 3,-0.3 -0.136 32.9-123.5 -45.7 135.0 -4.6 -12.6 -5.6 81 81 A P H > S+ 0 0 65 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.799 105.9 69.6 -59.9 -32.0 -7.9 -13.5 -7.4 82 82 A D H 4 S+ 0 0 123 2,-0.2 4,-0.4 1,-0.2 3,-0.3 0.962 112.0 27.4 -43.3 -68.8 -8.4 -16.4 -5.0 83 83 A D H >4 S+ 0 0 52 -3,-0.3 3,-2.0 1,-0.2 -1,-0.2 0.904 115.2 67.2 -66.7 -39.3 -9.1 -14.2 -2.0 84 84 A R H >< S+ 0 0 164 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.875 97.8 50.9 -49.6 -47.3 -10.4 -11.4 -4.3 85 85 A S T 3< S+ 0 0 106 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.682 123.3 33.5 -62.9 -20.4 -13.5 -13.4 -5.3 86 86 A K T < + 0 0 151 -3,-2.0 2,-2.9 -4,-0.4 -1,-0.3 -0.528 65.9 173.4-140.6 64.9 -14.2 -14.1 -1.6 87 87 A I < - 0 0 73 -3,-0.9 2,-0.1 3,-0.0 -3,-0.1 -0.525 21.8-167.4 -70.4 70.9 -13.1 -11.0 0.4 88 88 A A - 0 0 64 -2,-2.9 -2,-0.1 -5,-0.2 -3,-0.0 -0.415 45.2 -75.0 -56.4 144.2 -14.6 -12.7 3.4 89 89 A K - 0 0 160 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 -0.322 48.3-113.0 -83.5 133.6 -14.6 -9.9 5.7 90 90 A P - 0 0 51 0, 0.0 2,-2.3 0, 0.0 -1,-0.2 -0.257 23.8-119.2 -52.3 135.0 -11.4 -8.6 7.3 91 91 A S - 0 0 122 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.633 62.0-138.7 -69.8 71.1 -11.0 -8.9 11.0 92 92 A E + 0 0 123 -2,-2.3 -1,-0.1 -36,-0.0 -39,-0.0 0.883 35.2 154.4 61.5 147.4 -10.8 -5.2 11.2 93 93 A T 0 0 61 -3,-0.1 -36,-0.1 -40,-0.0 -37,-0.1 0.724 360.0 360.0 134.9 126.4 -9.3 -2.4 12.6 94 94 A L 0 0 152 -38,-0.1 -37,-0.3 -37,-0.0 -34,-0.1 0.864 360.0 360.0 101.1 360.0 -7.9 1.0 13.1