==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 13-JAN-10 2KSU . COMPND 2 MOLECULE: CYTOCHROME C3; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO DESULFURICANS; . AUTHOR D.L.TURNER,V.B.PAIXAO . 107 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 43.0 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 . 5 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.8 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 . 7 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 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 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 108 0, 0.0 3,-0.1 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0 163.5 4.3 14.0 -11.6 2 2 A P - 0 0 93 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.121 360.0 -83.1 -57.2 158.4 5.4 10.9 -13.6 3 3 A A - 0 0 99 1,-0.1 3,-0.0 3,-0.0 0, 0.0 -0.564 50.1-113.4 -71.7 120.5 2.8 9.3 -16.0 4 4 A V - 0 0 68 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.1 -0.339 31.1-122.7 -58.1 123.7 0.6 7.0 -13.9 5 5 A P - 0 0 43 0, 0.0 17,-0.3 0, 0.0 18,-0.1 -0.568 10.2-152.6 -71.6 124.9 1.3 3.4 -15.1 6 6 A D S S+ 0 0 146 -2,-0.3 17,-0.2 16,-0.1 -2,-0.1 0.464 77.8 81.7 -77.1 -1.3 -1.9 1.7 -16.3 7 7 A K S S- 0 0 122 14,-0.1 2,-0.2 15,-0.1 15,-0.1 -0.803 85.9-115.3-107.9 148.1 -0.1 -1.5 -15.3 8 8 A P - 0 0 47 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.550 25.6-137.5 -79.0 142.8 0.1 -2.9 -11.8 9 9 A V E -A 20 0A 59 11,-1.9 11,-2.2 -2,-0.2 2,-0.2 -0.894 16.9-121.1-108.1 133.5 3.5 -3.2 -10.1 10 10 A E E -A 19 0A 105 -2,-0.4 2,-0.4 9,-0.2 9,-0.3 -0.469 15.7-158.4 -71.8 139.1 4.6 -6.3 -8.2 11 11 A V - 0 0 54 7,-3.2 2,-1.3 -2,-0.2 7,-0.3 -0.625 6.1-160.3-119.2 69.7 5.5 -5.7 -4.6 12 12 A K + 0 0 161 -2,-0.4 5,-0.2 5,-0.2 4,-0.1 -0.293 22.6 176.9 -53.1 89.2 7.6 -8.8 -3.8 13 13 A G - 0 0 29 -2,-1.3 42,-0.1 3,-0.9 -1,-0.1 0.720 54.5 -46.5 -66.1-124.2 7.2 -8.4 -0.0 14 14 A S S S- 0 0 99 2,-0.1 3,-0.1 50,-0.1 41,-0.1 0.972 115.7 -37.0 -78.1 -63.0 8.8 -11.1 2.2 15 15 A Q S S+ 0 0 177 1,-0.2 2,-0.0 2,-0.0 -2,-0.0 0.596 120.2 72.9-127.9 -59.0 7.7 -14.2 0.5 16 16 A K S S- 0 0 106 -4,-0.1 -3,-0.9 1,-0.1 2,-0.4 -0.322 77.3-128.0 -64.6 146.5 4.2 -13.9 -0.9 17 17 A T - 0 0 65 -5,-0.2 2,-0.4 -4,-0.1 -5,-0.2 -0.843 25.7-177.1-102.5 134.3 3.9 -11.7 -4.0 18 18 A V - 0 0 29 -2,-0.4 -7,-3.2 -7,-0.3 2,-0.5 -0.997 9.5-157.6-134.1 129.0 1.4 -8.9 -4.2 19 19 A M E -A 10 0A 109 -2,-0.4 -9,-0.2 -9,-0.3 -2,-0.0 -0.909 6.2-152.5-110.1 131.5 0.7 -6.6 -7.1 20 20 A F E -A 9 0A 60 -11,-2.2 -11,-1.9 -2,-0.5 2,-0.3 -0.897 8.3-146.7-108.0 125.4 -0.9 -3.2 -6.8 21 21 A P - 0 0 45 0, 0.0 -15,-0.1 0, 0.0 -14,-0.1 -0.689 6.6-160.4 -88.9 139.4 -2.9 -1.7 -9.6 22 22 A H S > S+ 0 0 27 -17,-0.3 3,-2.4 -2,-0.3 -16,-0.1 0.778 86.8 68.9 -87.6 -33.4 -2.9 2.1 -10.2 23 23 A A G > S+ 0 0 65 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.939 100.7 47.5 -47.9 -54.9 -6.1 2.1 -12.2 24 24 A P G 3 S+ 0 0 83 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.509 119.4 44.1 -65.2 -5.2 -8.1 1.2 -9.1 25 25 A H G < S+ 0 0 51 -3,-2.4 -2,-0.2 1,-0.1 -3,-0.1 -0.230 78.0 106.5-134.2 41.0 -6.1 4.0 -7.5 26 26 A E S < S+ 0 0 130 -3,-1.6 -3,-0.1 1,-0.1 -1,-0.1 0.237 80.5 52.2-102.8 9.8 -6.3 6.6 -10.2 27 27 A K S S+ 0 0 210 -3,-0.1 2,-0.5 2,-0.1 -1,-0.1 0.362 91.1 88.2-121.1 -4.1 -8.7 8.7 -8.2 28 28 A V S S- 0 0 65 1,-0.1 5,-0.1 2,-0.0 -3,-0.0 -0.884 89.7-105.7-103.2 124.5 -6.7 8.8 -5.0 29 29 A E > - 0 0 127 -2,-0.5 4,-0.8 1,-0.1 5,-0.2 -0.125 24.5-128.1 -46.2 136.0 -4.1 11.6 -4.7 30 30 A C H >> S+ 0 0 53 1,-0.2 4,-3.6 2,-0.2 3,-3.1 0.962 110.3 56.0 -51.2 -59.7 -0.6 10.4 -5.2 31 31 A V H 34 S+ 0 0 35 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.870 94.0 69.8 -38.7 -49.6 0.5 11.9 -1.9 32 32 A T H 34 S+ 0 0 49 1,-0.2 45,-0.5 2,-0.2 -1,-0.3 0.828 124.2 11.3 -37.8 -42.7 -2.2 9.9 -0.3 33 33 A C H << S+ 0 0 72 -3,-3.1 2,-1.9 -4,-0.8 -2,-0.2 0.825 130.2 55.5-101.8 -54.6 -0.1 6.9 -1.0 34 34 A H S < S- 0 0 75 -4,-3.6 8,-0.3 -5,-0.2 -1,-0.2 -0.518 86.6-161.4 -82.5 69.9 3.2 8.5 -2.1 35 35 A H - 0 0 77 -2,-1.9 7,-0.3 -3,-0.2 2,-0.1 0.040 23.5 -95.4 -47.5 160.8 3.6 10.6 1.1 36 36 A L - 0 0 96 5,-0.1 2,-0.5 7,-0.1 5,-0.2 -0.474 29.5-141.8 -82.6 155.6 6.0 13.5 1.0 37 37 A V B > S-B 40 0B 74 3,-0.9 3,-1.3 -2,-0.1 -1,-0.0 -0.959 77.2 -25.0-124.3 112.5 9.6 13.3 2.2 38 38 A D T 3 S- 0 0 171 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.877 120.7 -60.4 54.1 40.2 11.1 16.2 4.1 39 39 A G T 3 S+ 0 0 73 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.815 115.1 121.9 57.2 32.5 8.5 18.4 2.4 40 40 A K B < -B 37 0B 157 -3,-1.3 -3,-0.9 2,-0.0 -1,-0.2 -0.906 68.4-122.8-131.0 102.8 10.1 17.3 -0.9 41 41 A E + 0 0 154 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.1 -0.124 44.5 166.8 -43.9 128.7 7.8 15.6 -3.4 42 42 A S - 0 0 50 -7,-0.3 -1,-0.0 -8,-0.3 -2,-0.0 -0.981 33.9-168.8-148.5 156.6 9.2 12.2 -4.3 43 43 A Y + 0 0 86 -2,-0.3 2,-0.3 -7,-0.0 3,-0.1 -0.315 33.0 150.5-143.4 54.5 8.1 9.0 -6.0 44 44 A A - 0 0 41 1,-0.2 4,-0.2 2,-0.1 -2,-0.1 -0.664 58.5 -80.5 -92.1 147.1 10.8 6.5 -5.2 45 45 A K > - 0 0 166 -2,-0.3 3,-1.2 2,-0.2 7,-0.2 0.016 47.0-104.6 -40.3 148.0 10.1 2.8 -5.0 46 46 A C T 3 S+ 0 0 73 1,-0.3 6,-1.6 5,-0.1 2,-0.4 0.825 126.4 45.2 -46.7 -33.6 8.6 1.8 -1.7 47 47 A G T 3 S+ 0 0 15 4,-0.2 -1,-0.3 6,-0.1 -2,-0.2 -0.536 87.7 143.0-112.1 63.1 12.1 0.4 -1.1 48 48 A S X - 0 0 36 -3,-1.2 3,-0.8 -2,-0.4 5,-0.1 -0.519 64.4 -54.9 -97.9 167.6 14.2 3.3 -2.3 49 49 A S T 3 S+ 0 0 116 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.111 129.2 2.9 -42.3 126.7 17.5 4.6 -0.9 50 50 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.938 119.9 91.4 55.4 52.5 16.9 5.4 2.7 51 51 A C S < S- 0 0 43 -3,-0.8 2,-1.1 11,-0.1 -4,-0.2 -0.436 93.9 -39.2-141.9-144.7 13.4 4.1 2.7 52 52 A H S S+ 0 0 35 -6,-1.6 10,-0.1 -7,-0.2 11,-0.1 -0.719 79.6 125.4 -97.2 81.8 11.5 0.9 3.3 53 53 A D + 0 0 110 -2,-1.1 2,-0.2 -6,-0.1 -1,-0.1 -0.347 48.2 83.1-134.5 51.3 13.8 -1.7 1.8 54 54 A D > + 0 0 86 1,-0.0 3,-0.5 8,-0.0 4,-0.4 -0.722 35.0 168.7-158.8 100.5 14.3 -4.1 4.7 55 55 A L T 3 S+ 0 0 58 -2,-0.2 8,-0.1 1,-0.2 -1,-0.0 0.069 70.1 83.4 -99.3 21.4 11.8 -6.9 5.5 56 56 A T T 3 S+ 0 0 131 6,-0.3 -1,-0.2 1,-0.1 7,-0.1 0.403 84.2 57.8-101.4 -1.9 14.3 -8.4 7.8 57 57 A A S < S- 0 0 49 -3,-0.5 2,-0.2 5,-0.3 -2,-0.1 0.875 76.4-163.3 -91.9 -49.1 13.3 -6.1 10.7 58 58 A K S S+ 0 0 153 -4,-0.4 2,-0.4 4,-0.1 5,-0.1 -0.164 76.4 43.4 90.1 -39.0 9.6 -7.0 10.9 59 59 A K S S+ 0 0 172 -2,-0.2 2,-0.2 3,-0.1 3,-0.1 -0.964 87.3 69.3-143.5 121.7 9.0 -3.8 12.8 60 60 A G S > S- 0 0 29 -2,-0.4 3,-1.4 3,-0.1 6,-0.3 -0.648 87.2 -83.8 147.7 156.7 10.5 -0.4 12.1 61 61 A E T 3 S+ 0 0 149 1,-0.3 -1,-0.1 -2,-0.2 6,-0.0 0.685 125.3 65.0 -57.4 -17.5 10.5 2.5 9.7 62 62 A K T 3 S+ 0 0 126 -10,-0.1 2,-0.4 -3,-0.1 -1,-0.3 -0.099 89.2 92.5 -96.6 33.0 12.9 0.4 7.7 63 63 A S < - 0 0 0 -3,-1.4 -8,-0.2 -10,-0.1 4,-0.2 -0.984 62.2-154.8-130.8 140.2 10.2 -2.2 7.2 64 64 A L S S+ 0 0 25 -2,-0.4 -9,-0.1 -10,-0.2 -50,-0.1 -0.212 91.8 60.9-103.6 39.8 7.8 -2.6 4.3 65 65 A Y S >>S+ 0 0 120 -5,-0.3 4,-1.5 3,-0.1 5,-0.5 0.549 97.1 50.8-131.4 -34.2 5.3 -4.5 6.5 66 66 A Y T 45S+ 0 0 111 -6,-0.3 -2,-0.1 1,-0.2 12,-0.1 0.483 116.0 45.1 -86.9 -3.9 4.4 -2.0 9.2 67 67 A V T 45S+ 0 0 41 -4,-0.2 12,-0.4 -7,-0.1 -1,-0.2 0.290 111.5 52.7-117.5 2.9 3.7 0.6 6.6 68 68 A V T 45S+ 0 0 39 -3,-0.3 12,-1.2 10,-0.1 11,-0.7 0.801 127.6 10.5-102.1 -46.7 1.7 -1.7 4.3 69 69 A H T <5S+ 0 0 61 -4,-1.5 12,-0.3 10,-0.2 11,-0.2 0.864 78.8 125.2 -95.6 -80.1 -0.9 -3.1 6.8 70 70 A A < - 0 0 17 -5,-0.5 8,-0.3 1,-0.2 11,-0.3 0.652 37.1-172.3 11.7 91.5 -0.7 -1.1 10.1 71 71 A R + 0 0 190 9,-0.1 -1,-0.2 10,-0.1 2,-0.1 0.105 55.1 91.1 -92.1 20.5 -4.4 -0.2 10.1 72 72 A G S S- 0 0 46 1,-0.1 2,-1.2 0, 0.0 6,-0.3 -0.136 98.2 -57.1 -99.0-163.6 -3.8 2.1 13.1 73 73 A E + 0 0 197 -2,-0.1 2,-0.2 4,-0.1 4,-0.1 -0.699 68.5 167.5 -84.1 98.3 -2.9 5.7 13.4 74 74 A L - 0 0 34 -2,-1.2 -7,-0.0 2,-0.5 -3,-0.0 -0.542 52.7 -95.6-105.4 172.9 0.3 6.1 11.4 75 75 A K S S+ 0 0 215 -2,-0.2 -1,-0.1 2,-0.0 2,-0.1 0.928 110.8 6.0 -51.5 -51.0 2.2 9.2 10.2 76 76 A H S S- 0 0 65 -43,-0.0 2,-0.5 -41,-0.0 -2,-0.5 0.120 107.0 -66.3-106.8-139.4 0.4 8.9 6.9 77 77 A T - 0 0 74 -45,-0.5 -42,-0.1 -44,-0.1 -4,-0.1 -0.917 45.5-151.1-127.0 104.3 -2.4 6.6 5.7 78 78 A S > - 0 0 8 -2,-0.5 4,-2.1 -6,-0.3 5,-0.2 -0.137 26.3-110.8 -65.7 166.4 -1.6 2.9 5.4 79 79 A C H > S+ 0 0 59 -11,-0.7 4,-2.1 -12,-0.4 5,-0.4 0.996 121.2 46.1 -61.6 -66.5 -3.3 0.7 2.8 80 80 A L H > S+ 0 0 48 -12,-1.2 4,-0.7 1,-0.2 -1,-0.2 0.729 110.2 64.0 -48.7 -21.7 -5.3 -1.3 5.3 81 81 A A H >> S+ 0 0 17 -12,-0.3 3,-1.2 -11,-0.3 4,-0.9 0.999 108.5 32.0 -65.8 -70.4 -6.0 2.1 6.7 82 82 A C H >X S+ 0 0 61 -4,-2.1 3,-2.2 1,-0.3 4,-1.9 0.962 115.3 59.2 -49.7 -61.3 -7.9 3.6 3.9 83 83 A H H 3X S+ 0 0 38 -4,-2.1 4,-2.6 1,-0.3 -1,-0.3 0.754 97.7 65.6 -39.1 -30.5 -9.3 0.2 2.9 84 84 A S H << S+ 0 0 68 -3,-1.2 4,-0.4 -4,-0.7 -1,-0.3 0.934 104.4 40.5 -60.5 -49.0 -10.7 0.4 6.5 85 85 A K H X< S+ 0 0 168 -3,-2.2 3,-1.1 -4,-0.9 -2,-0.2 0.853 111.4 59.2 -67.5 -35.8 -12.9 3.4 5.6 86 86 A V H >X S+ 0 0 54 -4,-1.9 3,-3.4 1,-0.3 4,-1.4 0.929 97.4 58.0 -57.7 -48.2 -13.7 1.7 2.3 87 87 A V T 3< S+ 0 0 23 -4,-2.6 -1,-0.3 1,-0.3 6,-0.2 0.713 95.1 68.0 -54.9 -19.7 -15.1 -1.3 4.1 88 88 A A T <4 S+ 0 0 77 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.362 104.7 42.8 -81.4 5.3 -17.4 1.3 5.6 89 89 A E T <4 S+ 0 0 145 -3,-3.4 -2,-0.2 1,-0.1 -1,-0.2 0.690 125.5 27.0-115.7 -40.6 -18.9 1.6 2.2 90 90 A K >< + 0 0 95 -4,-1.4 3,-2.2 1,-0.1 -2,-0.1 -0.604 63.0 175.5-127.7 69.2 -19.2 -1.9 1.0 91 91 A P G > S+ 0 0 96 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.704 80.8 68.2 -45.0 -23.5 -19.6 -4.0 4.2 92 92 A E G 3 S+ 0 0 146 1,-0.2 -5,-0.0 -3,-0.1 -2,-0.0 0.109 95.2 56.1 -86.7 21.5 -20.0 -6.9 1.8 93 93 A L G <>> + 0 0 60 -3,-2.2 2,-3.1 -6,-0.2 4,-1.2 0.106 63.2 138.4-135.1 16.2 -16.4 -6.4 0.8 94 94 A K T <45S+ 0 0 140 -3,-1.1 -10,-0.0 1,-0.2 -2,-0.0 -0.389 81.3 24.6 -67.2 73.9 -14.8 -6.8 4.2 95 95 A K T >5S+ 0 0 142 -2,-3.1 4,-0.9 4,-0.1 -1,-0.2 -0.243 98.1 77.4 168.6 -64.5 -12.0 -8.9 2.9 96 96 A D T 45S+ 0 0 57 1,-0.3 8,-1.1 2,-0.3 -2,-0.1 0.774 122.9 21.5 -39.9 -29.9 -11.4 -8.3 -0.8 97 97 A L T <5S+ 0 0 45 -4,-1.2 -1,-0.3 6,-0.1 -3,-0.1 0.618 139.4 34.7-110.9 -25.6 -9.7 -5.2 0.6 98 98 A T T 4