==== 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 28-JUL-97 1AQA . COMPND 2 MOLECULE: CYTOCHROME B5; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR L.BANCI,I.BERTINI,F.FERRONI,A.ROSATO . 84 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5878.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 7.1 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 . 1 1.2 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 . 8 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 26.2 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 2 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A K 0 0 192 0, 0.0 73,-2.7 0, 0.0 24,-0.2 0.000 360.0 360.0 360.0 147.8 -6.4 -12.2 5.0 2 6 A Y - 0 0 155 71,-0.2 2,-0.3 72,-0.2 74,-0.0 -0.604 360.0-176.6 -91.4 155.5 -3.5 -13.0 2.8 3 7 A Y - 0 0 65 -2,-0.2 73,-2.7 4,-0.0 2,-0.3 -0.945 21.3-125.3-143.7 152.2 -2.9 -11.9 -0.8 4 8 A T > - 0 0 55 -2,-0.3 4,-2.3 71,-0.2 3,-0.4 -0.728 27.4-109.7 -99.9 153.8 -0.0 -12.8 -3.2 5 9 A L H > S+ 0 0 64 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.797 116.4 64.1 -47.3 -35.4 2.3 -10.4 -5.0 6 10 A E H > S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.975 107.2 37.3 -54.1 -61.8 0.5 -11.4 -8.2 7 11 A E H > S+ 0 0 65 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.921 117.8 53.2 -60.9 -44.4 -2.9 -9.9 -7.2 8 12 A I H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 10,-0.4 0.969 108.1 49.3 -50.3 -62.1 -1.2 -7.0 -5.5 9 13 A Q H 3< S+ 0 0 115 -4,-3.2 3,-0.2 1,-0.3 -1,-0.2 0.814 109.1 53.0 -50.9 -42.0 0.8 -6.1 -8.7 10 14 A K H 3< S+ 0 0 111 -4,-2.1 2,-2.4 1,-0.2 3,-0.5 0.932 97.9 68.6 -56.0 -47.4 -2.4 -6.3 -10.8 11 15 A H << + 0 0 35 -4,-2.0 7,-2.8 -3,-0.6 36,-0.6 -0.379 63.4 123.3 -80.9 64.5 -4.1 -3.8 -8.4 12 16 A K S S- 0 0 98 -2,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.917 73.2 -16.7 -83.3 -56.5 -1.9 -0.8 -9.3 13 17 A D S S+ 0 0 57 -3,-0.5 -1,-0.3 1,-0.2 4,-0.1 -0.997 97.2 48.3-164.9 146.3 -4.5 1.8 -10.4 14 18 A S S S- 0 0 103 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.889 122.0 -12.5 78.8 94.9 -8.1 2.5 -11.5 15 19 A K S S+ 0 0 162 -3,-0.1 2,-0.2 2,-0.1 14,-0.1 0.306 139.3 51.6 77.0 -8.5 -10.7 0.8 -9.3 16 20 A S + 0 0 41 -6,-0.1 2,-0.4 12,-0.1 -3,-0.0 -0.716 59.6 155.1-157.6 100.2 -8.1 -1.4 -7.5 17 21 A T + 0 0 0 -2,-0.2 11,-2.4 -4,-0.1 -5,-0.2 -0.847 18.7 173.1-136.7 82.6 -5.1 0.5 -6.1 18 22 A W E -A 27 0A 32 -7,-2.8 29,-3.0 -2,-0.4 30,-0.4 -0.640 13.5-164.3-101.5 159.0 -3.6 -1.6 -3.3 19 23 A V E -A 26 0A 4 7,-2.1 7,-1.6 -2,-0.2 2,-1.0 -0.995 22.6-132.0-140.7 138.1 -0.4 -1.0 -1.3 20 24 A I E -A 25 0A 0 28,-2.5 31,-2.7 -2,-0.3 2,-0.7 -0.825 35.4-179.3 -91.3 99.1 1.6 -3.3 1.0 21 25 A L - 0 0 10 3,-3.0 -2,-0.1 -2,-1.0 28,-0.1 -0.886 67.3 -27.3-107.9 107.3 2.1 -1.0 4.0 22 26 A H S S- 0 0 100 -2,-0.7 -1,-0.2 1,-0.2 3,-0.1 0.911 127.8 -47.7 56.9 49.3 4.1 -2.4 6.9 23 27 A H S S+ 0 0 65 -3,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.973 120.4 108.6 52.2 63.1 3.0 -5.9 5.9 24 28 A K - 0 0 64 50,-0.1 -3,-3.0 2,-0.1 2,-0.6 -0.847 62.9-134.8-167.4 121.9 -0.7 -4.9 5.6 25 29 A V E +AB 20 73A 0 48,-2.1 47,-2.6 -2,-0.3 48,-1.6 -0.772 24.2 177.3 -85.9 121.2 -2.8 -4.5 2.4 26 30 A Y E -A 19 0A 12 -7,-1.6 -7,-2.1 -2,-0.6 2,-0.3 -0.978 23.7-140.5-111.6 134.2 -4.9 -1.4 2.2 27 31 A D E +A 18 0A 55 -2,-0.5 -9,-0.2 -9,-0.2 44,-0.1 -0.709 22.1 176.5 -71.4 143.6 -6.9 -0.8 -0.8 28 32 A L > + 0 0 15 -11,-2.4 2,-2.7 -2,-0.3 4,-1.2 0.018 23.5 143.6-139.9 33.5 -6.7 3.0 -1.6 29 33 A T T 4 S+ 0 0 33 1,-0.2 -11,-0.1 2,-0.2 -14,-0.1 -0.272 81.6 28.1 -64.9 57.3 -8.7 3.0 -4.9 30 34 A K T >4 S+ 0 0 122 -2,-2.7 3,-2.4 -13,-0.1 4,-0.4 -0.017 102.2 73.9-174.2 -51.1 -10.3 6.4 -4.0 31 35 A F G >> S+ 0 0 47 1,-0.3 4,-2.8 2,-0.2 3,-1.5 0.705 78.3 83.7 -55.4 -24.9 -7.8 8.2 -1.7 32 36 A L G 3< S+ 0 0 23 -4,-1.2 -1,-0.3 1,-0.3 10,-0.1 0.862 95.2 43.1 -34.4 -49.7 -5.8 8.7 -4.9 33 37 A E G <4 S+ 0 0 158 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.657 117.9 47.1 -74.1 -22.1 -8.0 11.8 -5.5 34 38 A E T <4 S+ 0 0 129 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.1 0.800 80.5 101.7-100.3 -41.3 -7.8 12.9 -1.8 35 39 A H S >< S- 0 0 36 -4,-2.8 3,-2.4 1,-0.1 4,-0.0 -0.212 74.4-127.7 -50.2 137.8 -4.1 12.7 -0.8 36 40 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.786 115.0 49.1 -61.5 -24.9 -2.4 16.2 -0.8 37 41 A G T 3> S- 0 0 39 1,-0.2 4,-0.6 2,-0.1 5,-0.1 0.277 107.7-146.9 -92.8 8.3 0.2 14.7 -3.0 38 42 A G H <> - 0 0 25 -3,-2.4 4,-0.6 1,-0.2 -1,-0.2 -0.012 41.1 -41.1 57.4-160.3 -2.5 13.2 -5.3 39 43 A E H >> S+ 0 0 109 1,-0.2 4,-2.8 2,-0.1 3,-1.5 0.927 114.9 76.0 -68.1 -54.7 -2.3 10.0 -7.3 40 44 A E H 3> S+ 0 0 149 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.742 98.2 43.7 -29.0 -65.1 1.3 9.9 -8.6 41 45 A V H 3< S+ 0 0 60 -4,-0.6 4,-0.5 1,-0.2 -1,-0.3 0.824 121.5 40.9 -58.7 -38.0 3.1 9.0 -5.4 42 46 A L H XX S+ 0 0 23 -3,-1.5 3,-1.7 -4,-0.6 4,-0.6 0.972 115.2 51.1 -69.3 -56.8 0.5 6.3 -4.6 43 47 A R H >< S+ 0 0 132 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.885 106.2 53.2 -50.6 -52.0 0.2 5.1 -8.1 44 48 A E T 3< S+ 0 0 136 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.670 117.7 37.9 -64.3 -17.2 3.9 4.5 -8.7 45 49 A Q T X4 S+ 0 0 54 -3,-1.7 3,-0.8 -4,-0.5 5,-0.4 0.293 91.4 121.6-111.6 4.5 4.1 2.4 -5.5 46 50 A A T << S+ 0 0 5 -3,-1.7 -27,-0.2 -4,-0.6 -34,-0.2 -0.370 76.9 19.4 -79.0 151.6 0.8 0.7 -6.0 47 51 A G T 3 S+ 0 0 10 -29,-3.0 -1,-0.3 -36,-0.6 2,-0.3 0.884 118.8 104.4 47.4 43.3 0.7 -3.1 -6.2 48 52 A G S < S- 0 0 14 -3,-0.8 -28,-2.5 -30,-0.4 2,-2.2 -0.893 93.7 -88.3-145.4 169.8 4.1 -2.7 -4.5 49 53 A D > + 0 0 63 -2,-0.3 3,-1.1 1,-0.2 4,-0.4 -0.345 56.8 158.7 -77.6 55.6 6.1 -2.9 -1.3 50 54 A A T 3> + 0 0 5 -2,-2.2 4,-2.5 -5,-0.4 5,-0.2 0.650 40.8 102.2 -66.3 -18.3 5.1 0.6 -0.4 51 55 A T H 3> S+ 0 0 13 -31,-2.7 4,-2.5 1,-0.2 -1,-0.3 0.788 90.2 36.4 -17.5 -59.9 5.9 -0.1 3.3 52 56 A E H <> S+ 0 0 80 -3,-1.1 4,-3.0 2,-0.2 5,-0.3 0.982 115.8 47.4 -75.4 -62.3 9.2 1.8 2.9 53 57 A N H 4 S+ 0 0 71 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.622 116.8 52.1 -64.2 -12.3 8.4 4.6 0.5 54 58 A F H >< S+ 0 0 20 -4,-2.5 3,-1.4 2,-0.1 5,-0.5 0.922 118.7 27.6 -74.9 -71.9 5.4 5.2 2.7 55 59 A E H >< S+ 0 0 61 -4,-2.5 3,-0.6 1,-0.3 4,-0.5 0.832 120.2 53.9 -79.1 -23.2 6.8 5.5 6.2 56 60 A D T 3< S+ 0 0 137 -4,-3.0 -1,-0.3 -5,-0.2 -3,-0.2 0.521 84.9 88.8 -76.7 -4.1 10.3 6.7 5.2 57 61 A V T < S- 0 0 84 -3,-1.4 -1,-0.2 -5,-0.3 -2,-0.1 0.421 114.7 -99.9 -78.9 7.3 8.7 9.6 3.2 58 62 A G < + 0 0 67 -3,-0.6 2,-0.2 1,-0.2 -2,-0.1 0.806 62.6 176.6 73.2 33.6 8.7 11.8 6.4 59 63 A H - 0 0 63 -4,-0.5 -1,-0.2 -5,-0.5 2,-0.2 -0.471 32.2-117.8 -65.1 138.3 5.0 11.0 7.0 60 64 A S >> - 0 0 77 -2,-0.2 3,-1.7 1,-0.1 4,-0.8 -0.504 30.6-107.9 -69.1 146.1 3.6 12.4 10.2 61 65 A T H >> S+ 0 0 111 1,-0.3 4,-2.7 2,-0.2 3,-1.1 0.815 119.0 68.3 -44.4 -38.5 2.4 9.6 12.6 62 66 A D H 3> S+ 0 0 122 1,-0.3 4,-2.1 2,-0.2 5,-0.3 0.888 95.6 52.6 -43.7 -52.3 -1.2 10.8 11.7 63 67 A A H <4 S+ 0 0 30 -3,-1.7 -1,-0.3 1,-0.2 4,-0.2 0.733 114.0 44.5 -64.5 -25.0 -0.7 9.4 8.2 64 68 A R H < S+ 0 0 120 -4,-2.7 3,-0.8 1,-0.3 -2,-0.2 0.941 106.9 46.7 -67.0 -45.1 -2.4 5.9 12.3 66 70 A L T >X S+ 0 0 70 -4,-2.1 3,-2.4 1,-0.2 4,-0.6 0.811 99.3 75.0 -58.9 -25.4 -5.3 6.2 9.9 67 71 A S H >> S+ 0 0 8 -3,-0.3 3,-1.0 1,-0.3 4,-0.5 0.907 91.0 53.1 -59.2 -40.9 -3.4 3.5 7.8 68 72 A K H << S+ 0 0 111 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.212 92.7 76.7 -80.9 16.3 -4.5 0.8 10.3 69 73 A T H <4 S+ 0 0 95 -3,-2.4 -1,-0.2 0, 0.0 -2,-0.2 0.794 98.3 40.0 -85.8 -35.9 -8.2 1.8 10.0 70 74 A Y H << + 0 0 106 -3,-1.0 -2,-0.1 -4,-0.6 -44,-0.1 0.978 69.2 159.2 -80.3 -83.9 -8.6 0.1 6.6 71 75 A I < + 0 0 68 -4,-0.5 -45,-0.2 -44,-0.1 3,-0.1 0.977 14.8 174.0 55.3 97.0 -6.8 -3.3 6.3 72 76 A I S S- 0 0 48 -47,-2.6 2,-0.3 1,-0.2 -46,-0.2 0.645 70.5 -34.5 -91.1 -20.4 -8.1 -5.7 3.6 73 77 A G B -B 25 0A 1 -48,-1.6 -48,-2.1 1,-0.1 -1,-0.2 -0.977 41.4-122.3-172.6-175.9 -5.2 -8.1 4.4 74 78 A E - 0 0 84 -73,-2.7 2,-0.2 -50,-0.3 -72,-0.2 0.703 58.5 -99.5-103.8 -84.6 -1.6 -8.9 5.5 75 79 A L - 0 0 12 -52,-0.1 -71,-0.2 -51,-0.1 -73,-0.1 -0.793 37.4 -67.7 169.2 162.0 0.1 -11.0 2.7 76 80 A H > - 0 0 79 -73,-2.7 2,-2.6 -2,-0.2 4,-1.4 -0.401 54.2-108.7 -57.8 139.1 1.1 -14.5 1.8 77 81 A P T 4 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -73,-0.1 -0.344 115.0 48.2 -74.8 62.9 3.8 -16.0 4.1 78 82 A D T >4 S+ 0 0 94 -2,-2.6 3,-2.8 0, 0.0 4,-0.2 0.044 101.7 57.0-150.7 -53.1 6.5 -15.8 1.3 79 83 A D G >> S+ 0 0 13 1,-0.3 3,-2.8 -3,-0.2 4,-1.4 0.802 88.5 85.0 -52.0 -30.4 6.0 -12.3 0.0 80 84 A R G 3< S+ 0 0 182 -4,-1.4 -1,-0.3 1,-0.3 -5,-0.0 0.612 91.6 45.1 -40.1 -25.4 6.7 -11.5 3.7 81 85 A S G <4 S+ 0 0 105 -3,-2.8 -1,-0.3 1,-0.1 -2,-0.2 0.312 101.0 65.8-110.3 5.9 10.5 -11.7 2.8 82 86 A K T <4 S+ 0 0 126 -3,-2.8 2,-0.8 -4,-0.2 -2,-0.2 0.856 82.4 80.4 -84.4 -46.9 10.3 -9.6 -0.4 83 87 A I < 0 0 12 -4,-1.4 -1,-0.1 1,-0.2 -33,-0.0 -0.518 360.0 360.0 -63.0 101.6 9.3 -6.4 1.5 84 88 A A 0 0 102 -2,-0.8 -1,-0.2 -35,-0.1 -2,-0.1 0.106 360.0 360.0 178.7 360.0 12.8 -5.5 2.6