==== 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 22-OCT-97 1AXX . 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) . 6912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 11.7 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 2.1 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 . 10 10.6 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 . 21 22.3 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 0 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 . 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 0 209 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.9 4.3 -14.6 -16.3 2 2 A K + 0 0 195 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.711 360.0 76.4-110.2 -36.5 1.4 -13.2 -18.4 3 3 A D S S- 0 0 132 1,-0.1 0, 0.0 3,-0.0 0, 0.0 0.005 90.6-100.4 -58.8 177.6 -0.9 -11.9 -15.6 4 4 A V - 0 0 98 1,-0.1 73,-0.1 0, 0.0 -1,-0.1 0.662 62.9 -63.2 -74.2-125.2 -0.1 -8.6 -13.7 5 5 A K + 0 0 112 2,-0.1 73,-0.7 24,-0.0 2,-0.6 -0.529 60.8 177.7-130.3 61.2 1.5 -8.9 -10.2 6 6 A Y E -a 78 0A 70 71,-0.2 2,-0.3 73,-0.1 73,-0.2 -0.620 11.0-174.6 -66.2 111.7 -1.3 -10.6 -8.4 7 7 A Y E -a 79 0A 56 71,-3.0 73,-2.8 -2,-0.6 2,-0.1 -0.881 17.9-125.1-116.5 144.7 0.2 -11.1 -4.8 8 8 A T > - 0 0 42 -2,-0.3 4,-2.9 71,-0.2 5,-0.3 -0.427 25.4-109.3 -87.9 163.2 -1.4 -13.0 -1.9 9 9 A L H > S+ 0 0 48 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.916 118.4 49.6 -58.1 -48.8 -2.0 -11.7 1.7 10 10 A E H > S+ 0 0 153 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.941 112.5 47.1 -57.8 -49.7 0.7 -13.8 3.2 11 11 A E H >> S+ 0 0 101 2,-0.2 4,-1.4 1,-0.2 3,-1.4 0.969 115.1 45.1 -58.2 -52.6 3.3 -12.6 0.6 12 12 A I H 3< S+ 0 0 1 -4,-2.9 3,-0.5 1,-0.3 10,-0.3 0.909 108.8 57.7 -58.5 -41.0 2.3 -9.0 1.0 13 13 A Q H 3< S+ 0 0 92 -4,-3.1 -1,-0.3 1,-0.3 3,-0.2 0.716 103.4 53.8 -62.4 -21.5 2.3 -9.4 4.8 14 14 A K H << S+ 0 0 157 -3,-1.4 2,-1.8 -4,-1.1 -1,-0.3 0.797 94.2 72.8 -81.8 -27.4 6.0 -10.5 4.4 15 15 A H S < S+ 0 0 62 -4,-1.4 7,-2.6 -3,-0.5 36,-0.4 -0.334 78.5 81.9 -81.7 58.4 6.7 -7.2 2.5 16 16 A K E S+B 21 0B 70 -2,-1.8 2,-0.3 5,-0.2 5,-0.2 -0.141 80.9 58.8-152.3 49.2 6.4 -5.2 5.7 17 17 A D E > S+B 20 0B 97 3,-1.3 3,-2.2 -3,-0.2 2,-1.6 -0.942 85.4 25.1-161.4-178.9 9.9 -5.5 7.4 18 18 A S T 3 S- 0 0 124 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.387 132.8 -35.2 56.5 -83.1 13.6 -4.9 7.1 19 19 A K T 3 S+ 0 0 172 -2,-1.6 2,-0.4 1,-0.1 -1,-0.3 -0.079 116.9 96.7-159.5 42.4 13.2 -2.1 4.5 20 20 A S E < +B 17 0B 46 -3,-2.2 -3,-1.3 -6,-0.1 2,-0.6 -0.909 43.8 178.1-135.8 105.8 10.2 -3.1 2.4 21 21 A T E +B 16 0B 2 -2,-0.4 11,-1.5 -5,-0.2 -5,-0.2 -0.940 8.6 171.2-110.9 102.7 6.9 -1.5 3.4 22 22 A W E -C 31 0C 13 -7,-2.6 29,-3.0 -2,-0.6 2,-0.3 -0.648 11.5-165.1 -96.5 166.3 4.0 -2.5 1.2 23 23 A V E -C 30 0C 1 7,-2.0 7,-2.4 27,-0.2 2,-0.5 -0.971 17.9-136.2-147.3 143.1 0.3 -1.7 1.7 24 24 A I E +Cd 29 53C 5 28,-1.7 30,-2.0 -2,-0.3 31,-0.7 -0.903 27.4 177.8 -96.7 125.1 -2.8 -3.1 0.1 25 25 A L - 0 0 13 3,-1.7 3,-0.1 -2,-0.5 28,-0.1 -0.962 56.7 -37.4-134.4 111.4 -5.2 -0.3 -0.6 26 26 A H S S- 0 0 72 -2,-0.4 2,-2.4 1,-0.2 -1,-0.2 -0.135 117.9 -25.6 58.7-163.3 -8.5 -1.2 -2.4 27 27 A H S S+ 0 0 95 -3,-0.1 2,-0.3 51,-0.1 -1,-0.2 -0.328 126.9 62.9 -76.1 54.2 -8.4 -4.0 -5.0 28 28 A K S S- 0 0 47 -2,-2.4 -3,-1.7 50,-0.2 2,-0.4 -0.931 76.8-120.1-170.0 158.6 -4.7 -3.4 -5.8 29 29 A V E -CE 24 77C 0 48,-2.2 47,-1.8 -2,-0.3 48,-1.1 -0.903 21.7-161.7-114.5 139.0 -1.2 -3.5 -4.1 30 30 A Y E -CE 23 75C 9 -7,-2.4 -7,-2.0 -2,-0.4 2,-0.5 -0.974 10.5-150.7-125.1 127.5 1.1 -0.5 -3.7 31 31 A D E +C 22 0C 43 43,-1.7 -9,-0.2 -2,-0.4 3,-0.1 -0.857 20.8 168.2 -89.6 128.4 4.9 -0.5 -2.9 32 32 A L >> + 0 0 9 -11,-1.5 3,-1.9 -2,-0.5 4,-1.0 0.022 35.7 122.0-126.1 25.1 5.8 2.7 -1.0 33 33 A T T 34 S+ 0 0 31 1,-0.3 3,-0.2 2,-0.2 -11,-0.1 0.846 87.7 32.1 -63.9 -37.3 9.3 1.5 -0.0 34 34 A K T 34 S+ 0 0 196 1,-0.1 -1,-0.3 2,-0.1 4,-0.2 0.109 115.8 63.1-100.8 19.0 10.9 4.6 -1.8 35 35 A F T <> S+ 0 0 18 -3,-1.9 4,-2.9 3,-0.1 -2,-0.2 0.417 70.9 100.5-116.0 -5.2 7.8 6.7 -1.0 36 36 A L T < S+ 0 0 28 -4,-1.0 6,-0.2 -3,-0.2 10,-0.1 0.928 98.3 21.4 -48.4 -64.0 8.1 6.6 2.9 37 37 A E T 4 S+ 0 0 183 1,-0.2 4,-0.3 6,-0.1 -1,-0.2 0.904 121.0 61.4 -73.3 -41.4 9.7 10.0 3.4 38 38 A E T 4 S+ 0 0 142 -4,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.809 77.7 105.7 -54.5 -36.4 8.5 11.4 0.0 39 39 A H S >< S- 0 0 29 -4,-2.9 3,-2.5 -7,-0.2 2,-2.4 -0.321 81.3-127.5 -48.8 113.4 4.8 10.8 1.2 40 40 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.423 106.1 42.5 -69.1 78.0 3.5 14.4 2.0 41 41 A G T 3 S- 0 0 57 -2,-2.4 4,-0.2 -4,-0.3 2,-0.1 0.080 117.9 -90.9 164.0 -30.4 2.4 13.2 5.4 42 42 A G < - 0 0 24 -3,-2.5 4,-0.3 -6,-0.2 -5,-0.1 -0.411 20.8 -95.0 127.0 168.7 5.4 11.1 6.6 43 43 A E S >> S+ 0 0 75 2,-0.1 4,-2.7 -2,-0.1 3,-1.3 0.933 112.7 54.3 -80.9 -53.3 6.9 7.7 6.8 44 44 A E H 3> S+ 0 0 140 1,-0.3 4,-2.1 2,-0.2 3,-0.1 0.917 105.9 50.7 -57.6 -52.2 5.7 6.6 10.2 45 45 A V H 34 S+ 0 0 88 1,-0.2 -1,-0.3 -4,-0.2 4,-0.3 0.777 117.7 43.2 -50.1 -30.9 2.0 7.2 9.5 46 46 A L H <> S+ 0 0 27 -3,-1.3 4,-0.5 -4,-0.3 3,-0.4 0.825 117.1 43.3 -87.0 -36.2 2.5 5.1 6.3 47 47 A R H < S+ 0 0 91 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.549 87.6 98.8 -86.5 -9.5 4.7 2.3 8.0 48 48 A E T < S+ 0 0 102 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.1 0.844 105.2 4.9 -45.2 -52.1 2.3 2.2 11.0 49 49 A Q T 4 S+ 0 0 72 -3,-0.4 -2,-0.1 -4,-0.3 -1,-0.1 0.853 88.7 170.4 -96.2 -68.9 0.5 -0.8 9.7 50 50 A A < + 0 0 7 -4,-0.5 -27,-0.2 2,-0.1 -34,-0.1 0.438 56.0 34.4 59.2 153.9 2.2 -2.0 6.6 51 51 A G S S+ 0 0 9 -29,-3.0 2,-0.3 -36,-0.4 -28,-0.2 0.828 107.6 69.8 39.1 56.7 1.5 -5.3 4.7 52 52 A G S S- 0 0 24 -30,-0.1 -28,-1.7 -28,-0.1 2,-1.0 -0.927 103.8 -49.6-174.3 174.0 -2.3 -5.3 5.5 53 53 A D B +d 24 0C 34 -2,-0.3 4,-0.2 1,-0.2 -28,-0.2 -0.543 52.4 161.5 -64.7 100.6 -5.5 -3.5 4.6 54 54 A A > + 0 0 12 -30,-2.0 4,-3.1 -2,-1.0 5,-0.2 0.312 52.0 99.4 -94.1 1.4 -4.5 0.1 5.1 55 55 A T H > S+ 0 0 16 -31,-0.7 4,-3.0 1,-0.2 5,-0.3 0.947 80.2 51.4 -50.2 -54.8 -7.5 1.0 2.9 56 56 A E H > S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.906 113.5 44.8 -47.8 -47.7 -9.6 1.8 6.0 57 57 A N H > S+ 0 0 46 -4,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.940 114.9 47.1 -65.4 -48.1 -6.8 4.1 7.3 58 58 A F H < S+ 0 0 21 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.867 116.7 44.6 -58.5 -41.0 -6.3 5.7 3.8 59 59 A E H < S+ 0 0 79 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.805 104.3 62.4 -79.7 -32.8 -10.2 6.2 3.5 60 60 A D H < S+ 0 0 117 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.979 113.6 36.4 -51.2 -55.1 -10.6 7.4 7.1 61 61 A V S < S- 0 0 101 -4,-1.9 2,-2.0 1,-0.2 -1,-0.3 0.667 102.4-151.9 -71.7 -17.9 -8.3 10.4 6.1 62 62 A G - 0 0 22 -4,-0.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.260 20.5-143.2 83.0 -52.6 -10.1 10.2 2.7 63 63 A H - 0 0 66 -2,-2.0 2,-0.1 4,-0.1 -1,-0.0 0.503 17.9 -86.2 65.2 150.1 -7.1 11.6 0.7 64 64 A S >> - 0 0 81 1,-0.1 4,-1.0 3,-0.0 3,-0.7 -0.345 40.2-104.9 -78.4 165.3 -7.2 14.0 -2.2 65 65 A T H 3> S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.850 117.6 70.9 -64.7 -30.5 -7.6 12.7 -5.8 66 66 A D H >> S+ 0 0 121 1,-0.3 4,-3.2 2,-0.2 3,-0.7 0.924 98.6 49.5 -43.3 -52.0 -3.9 13.5 -6.4 67 67 A A H <> S+ 0 0 26 -3,-0.7 4,-2.9 1,-0.2 -1,-0.3 0.881 104.4 58.3 -59.2 -40.4 -3.2 10.5 -4.1 68 68 A R H 3X S+ 0 0 95 -4,-1.0 4,-0.7 2,-0.2 -1,-0.2 0.797 115.0 36.7 -61.1 -32.9 -5.6 8.3 -6.1 69 69 A E H XX S+ 0 0 133 -4,-1.6 4,-1.7 -3,-0.7 3,-0.5 0.902 115.3 52.0 -82.0 -49.8 -3.6 8.9 -9.2 70 70 A L H 3X S+ 0 0 76 -4,-3.2 4,-0.7 1,-0.3 -2,-0.2 0.874 104.2 61.3 -55.2 -36.4 -0.1 8.9 -7.5 71 71 A S H >< S+ 0 0 14 -4,-2.9 3,-1.9 -5,-0.3 4,-0.3 0.944 100.2 52.7 -50.9 -51.4 -1.3 5.6 -6.0 72 72 A K H X< S+ 0 0 111 -4,-0.7 3,-2.3 -3,-0.5 -2,-0.2 0.917 101.7 59.4 -55.4 -43.4 -1.5 4.2 -9.6 73 73 A T H 3< S+ 0 0 113 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.720 109.4 44.8 -56.2 -20.4 2.1 5.4 -10.1 74 74 A Y T << S+ 0 0 51 -3,-1.9 -43,-1.7 -4,-0.7 2,-0.5 0.303 82.3 129.3-102.5 3.3 3.0 3.0 -7.2 75 75 A I E < +E 30 0C 67 -3,-2.3 -45,-0.2 -4,-0.3 3,-0.1 -0.477 25.2 170.0 -66.7 113.7 0.9 0.1 -8.4 76 76 A I E - 0 0 37 -47,-1.8 2,-0.2 -2,-0.5 -1,-0.2 0.800 62.5 -59.9 -89.0 -34.6 3.1 -2.9 -8.4 77 77 A G E -E 29 0C 1 -48,-1.1 -48,-2.2 -73,-0.1 -1,-0.3 -0.861 64.9 -70.7 176.5-152.8 0.3 -5.4 -9.1 78 78 A E E -a 6 0A 45 -73,-0.7 -71,-3.0 -50,-0.3 2,-0.4 -0.707 43.6 -84.6-131.7 170.8 -3.0 -6.6 -7.5 79 79 A L E -a 7 0A 14 -73,-0.2 -71,-0.2 -2,-0.2 -73,-0.1 -0.720 61.8 -97.9 -79.5 125.8 -4.5 -8.6 -4.6 80 80 A H > - 0 0 70 -73,-2.8 3,-0.5 -2,-0.4 -1,-0.1 -0.077 26.1-120.1 -48.2 141.1 -4.6 -12.3 -5.5 81 81 A P G >> S+ 0 0 73 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.640 104.3 79.6 -63.8 -12.6 -8.0 -13.6 -6.9 82 82 A D G >4 S+ 0 0 115 1,-0.2 3,-1.0 2,-0.2 2,-1.0 0.991 97.1 37.0 -49.6 -69.0 -8.0 -16.0 -3.9 83 83 A D G <4 S+ 0 0 27 -3,-0.5 -1,-0.2 1,-0.2 -3,-0.0 -0.018 99.3 88.6 -82.4 34.5 -9.2 -13.4 -1.3 84 84 A R G X4 S+ 0 0 129 -3,-1.0 3,-0.9 -2,-1.0 -1,-0.2 0.753 71.7 64.5-106.1 -34.4 -11.5 -11.8 -3.9 85 85 A S T << S+ 0 0 118 -3,-1.0 -2,-0.1 -4,-0.6 -1,-0.1 0.736 119.0 31.7 -54.9 -24.7 -14.6 -13.9 -3.4 86 86 A K T 3 + 0 0 150 -4,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.568 65.9 168.1-136.8 73.6 -14.5 -12.2 0.1 87 87 A I < + 0 0 73 -3,-0.9 -1,-0.1 -2,-0.1 2,-0.1 0.798 51.4 109.5 -50.8 -32.1 -13.0 -8.7 -0.3 88 88 A A + 0 0 69 -4,-0.1 -2,-0.0 -3,-0.1 -3,-0.0 -0.318 44.8 174.1 -50.1 121.3 -14.2 -8.2 3.3 89 89 A K - 0 0 100 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.781 19.3-155.0-137.7 85.6 -11.2 -8.0 5.5 90 90 A P + 0 0 128 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.530 38.7 140.6 -66.8 118.4 -11.9 -7.1 9.2 91 91 A S - 0 0 66 -2,-0.4 2,-0.1 1,-0.1 -37,-0.0 -0.636 56.0 -42.9-138.1-166.0 -8.7 -5.6 10.5 92 92 A E - 0 0 102 -2,-0.2 -35,-0.2 1,-0.1 -36,-0.1 -0.455 39.9-167.1 -69.2 143.5 -7.6 -2.7 12.8 93 93 A T 0 0 74 -2,-0.1 -1,-0.1 -37,-0.1 -33,-0.1 0.830 360.0 360.0 -93.7 -47.2 -9.5 0.6 12.4 94 94 A L 0 0 121 -37,-0.0 -1,-0.1 -38,-0.0 0, 0.0 -0.312 360.0 360.0 70.3 360.0 -7.2 2.9 14.4