==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 07-JAN-96 1NOE . COMPND 2 MOLECULE: HIGH POTENTIAL IRON SULFUR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ALLOCHROMATIUM VINOSUM; . AUTHOR D.BENTROP,I.BERTINI,F.CAPOZZI,A.DIKIY,L.ELTIS,C.LUCHINAT . 86 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4963.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 14.0 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 2.3 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 . 9 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 18.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 8.1 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+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 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 . 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 PARALLEL BRIDGES PER LADDER . 2 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 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 0 A A 0 0 103 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -76.8 -10.2 -11.9 -4.1 2 1 A S - 0 0 109 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.097 360.0-116.2 -49.4 130.7 -11.9 -9.6 -6.7 3 2 A A - 0 0 65 1,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.369 32.1-109.8 -67.5 148.7 -10.5 -6.1 -6.9 4 3 A P > - 0 0 31 0, 0.0 3,-2.5 0, 0.0 67,-0.1 -0.454 26.3-109.5 -78.5 154.3 -12.9 -3.2 -5.9 5 4 A A T 3 S+ 0 0 119 1,-0.3 -2,-0.1 -2,-0.1 65,-0.0 0.814 121.6 46.6 -51.5 -34.8 -14.2 -0.8 -8.6 6 5 A N T 3 S+ 0 0 67 2,-0.0 65,-1.5 64,-0.0 -1,-0.3 0.010 77.9 155.3 -99.4 21.5 -12.0 1.9 -7.0 7 6 A A B < -a 71 0A 30 -3,-2.5 2,-0.2 63,-0.2 65,-0.2 -0.312 55.6-106.9 -42.3 126.4 -8.8 -0.2 -6.7 8 7 A V - 0 0 2 63,-3.0 2,-0.3 1,-0.1 65,-0.2 -0.464 38.0-121.3 -55.5 126.2 -5.9 2.2 -6.6 9 8 A A > - 0 0 53 -2,-0.2 3,-2.3 1,-0.1 6,-0.3 -0.604 6.4-136.7 -74.6 130.6 -4.2 1.8 -10.1 10 9 A A T 3 S+ 0 0 56 -2,-0.3 10,-0.2 1,-0.3 -1,-0.1 0.756 108.4 49.0 -55.3 -26.8 -0.6 0.8 -9.9 11 10 A D T 3 S+ 0 0 134 4,-0.1 -1,-0.3 8,-0.1 2,-0.1 0.061 81.8 125.5-103.6 19.6 0.1 3.4 -12.6 12 11 A D S <> S- 0 0 36 -3,-2.3 4,-2.9 1,-0.1 5,-0.2 -0.506 77.8-109.9 -70.7 154.1 -1.8 6.2 -10.9 13 12 A A H > S+ 0 0 71 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.928 123.5 45.6 -50.3 -47.7 0.3 9.4 -10.4 14 13 A T H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.908 111.5 50.4 -62.0 -44.5 0.3 8.7 -6.7 15 14 A A H >>S+ 0 0 1 -6,-0.3 5,-2.5 2,-0.2 4,-0.8 0.855 112.1 49.4 -66.6 -31.0 1.1 5.0 -7.2 16 15 A I H ><5S+ 0 0 97 -4,-2.9 3,-1.3 3,-0.2 -2,-0.2 0.987 113.7 43.7 -66.5 -59.8 4.0 5.9 -9.5 17 16 A A H 3<5S+ 0 0 80 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.870 121.9 40.2 -53.5 -42.6 5.5 8.5 -7.1 18 17 A L H 3<5S- 0 0 21 -4,-2.8 61,-3.2 -5,-0.2 62,-0.3 0.602 103.7-129.0 -79.9 -13.9 5.0 6.0 -4.2 19 18 A K T <<5 - 0 0 111 -3,-1.3 2,-0.7 -4,-0.8 -3,-0.2 0.959 38.4-178.0 48.5 56.6 6.1 2.9 -6.1 20 19 A Y < - 0 0 6 -5,-2.5 58,-0.3 -10,-0.2 -1,-0.2 -0.760 13.1-175.4 -83.6 112.6 2.8 1.2 -5.0 21 20 A N - 0 0 53 56,-2.1 2,-2.0 -2,-0.7 -1,-0.1 0.611 21.1-146.5 -87.0 -15.8 3.0 -2.3 -6.4 22 21 A Q S S+ 0 0 66 55,-0.6 2,-0.6 51,-0.1 53,-0.1 -0.195 85.8 66.6 70.9 -43.2 -0.5 -3.5 -5.3 23 22 A D > - 0 0 39 -2,-2.0 4,-1.8 1,-0.1 53,-0.3 -0.935 68.0-163.7-103.0 117.3 1.0 -7.0 -4.9 24 23 A A T 4 S+ 0 0 4 51,-3.0 52,-0.1 -2,-0.6 -1,-0.1 0.767 87.0 64.7 -64.4 -28.6 3.6 -7.2 -2.1 25 24 A T T 4 S+ 0 0 106 50,-0.3 -1,-0.2 1,-0.2 5,-0.1 0.965 114.4 30.3 -64.2 -46.6 4.9 -10.5 -3.5 26 25 A K T 4 S+ 0 0 170 -3,-0.1 -1,-0.2 -5,-0.1 -2,-0.2 0.741 98.6 124.4 -77.3 -28.9 6.1 -8.9 -6.7 27 26 A S S >< S- 0 0 2 -4,-1.8 3,-1.2 1,-0.2 4,-0.1 0.083 74.1-122.3 -35.8 141.3 6.8 -5.5 -5.0 28 27 A E T >> S+ 0 0 49 1,-0.3 4,-2.8 -9,-0.2 3,-1.6 0.497 89.4 107.2 -59.3 -6.9 10.2 -3.8 -5.1 29 28 A R H 3> + 0 0 28 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.867 68.2 64.9 -38.7 -47.5 9.9 -4.0 -1.3 30 29 A V H <4 S+ 0 0 88 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.858 114.5 29.0 -44.4 -48.2 12.6 -6.8 -1.5 31 30 A A H <4 S+ 0 0 91 -3,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.883 118.7 54.9 -81.2 -45.1 15.1 -4.2 -2.9 32 31 A A H < S- 0 0 35 -4,-2.8 -2,-0.2 1,-0.0 -3,-0.2 0.683 80.4-176.6 -66.4 -23.9 13.7 -1.1 -1.1 33 32 A A < - 0 0 53 -4,-2.7 -3,-0.1 -5,-0.3 -4,-0.1 0.704 14.6-150.9 27.4 70.0 14.0 -3.0 2.3 34 33 A R - 0 0 89 -5,-0.2 3,-0.4 1,-0.1 -1,-0.1 -0.299 19.9-102.6 -62.2 151.8 12.5 -0.3 4.6 35 34 A P S S+ 0 0 110 0, 0.0 48,-0.6 0, 0.0 2,-0.6 -0.195 95.8 50.8 -68.1 166.2 13.7 -0.2 8.2 36 35 A G S S+ 0 0 65 46,-0.1 -2,-0.0 49,-0.0 48,-0.0 -0.526 115.6 15.4 106.7 -61.6 11.6 -1.7 11.1 37 36 A L S S- 0 0 60 -2,-0.6 46,-0.1 -3,-0.4 45,-0.1 -0.945 93.6 -85.3-145.7 152.9 10.8 -5.2 9.7 38 37 A P > - 0 0 61 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.331 45.2-109.2 -68.9 148.8 12.3 -7.3 6.8 39 38 A P G > S+ 0 0 18 0, 0.0 3,-2.5 0, 0.0 -9,-0.1 0.825 116.5 63.2 -48.9 -41.3 10.8 -6.6 3.4 40 39 A E G 3 S+ 0 0 116 1,-0.3 -10,-0.1 -10,-0.1 -11,-0.0 0.807 105.0 47.4 -53.5 -33.4 9.0 -10.0 3.3 41 40 A E G < S+ 0 0 112 -3,-2.2 2,-0.4 5,-0.0 -1,-0.3 0.257 94.6 101.7 -93.4 10.1 6.9 -8.9 6.3 42 41 A Q < + 0 0 0 -3,-2.5 2,-0.3 -4,-0.2 -13,-0.1 -0.828 37.2 128.3-101.0 136.7 6.1 -5.4 4.9 43 42 A H S > S- 0 0 42 -2,-0.4 3,-2.8 1,-0.1 34,-0.3 -0.908 70.6 -87.7-171.6 162.7 2.7 -4.5 3.3 44 43 A C G > S+ 0 0 11 32,-2.3 3,-2.6 29,-0.4 6,-0.2 0.802 119.2 69.9 -45.9 -39.9 0.1 -1.7 3.6 45 44 A A G 3 S+ 0 0 46 29,-2.8 -1,-0.3 31,-0.3 30,-0.1 0.788 106.8 38.4 -46.5 -34.1 -1.7 -3.7 6.4 46 45 A N G < S+ 0 0 47 -3,-2.8 38,-2.8 28,-0.3 2,-0.4 0.223 89.9 125.9-101.6 6.2 1.3 -2.9 8.6 47 46 A C B X -B 83 0B 14 -3,-2.6 3,-1.9 36,-0.2 36,-0.2 -0.612 56.0-146.8 -82.6 122.4 1.8 0.7 7.4 48 47 A Q T 3 S+ 0 0 69 34,-2.9 -1,-0.1 -2,-0.4 34,-0.1 0.868 99.6 50.8 -46.6 -43.1 1.8 3.5 10.0 49 48 A F T 3 S+ 0 0 72 32,-0.7 16,-0.9 33,-0.3 2,-0.3 0.431 80.8 121.8 -81.6 -4.0 0.1 5.9 7.5 50 49 A M E < -C 64 0C 34 -3,-1.9 2,-1.5 -6,-0.2 14,-0.2 -0.466 57.8-142.0 -70.9 128.7 -2.8 3.6 6.4 51 50 A Q E +C 63 0C 80 12,-1.5 12,-1.8 -2,-0.3 3,-0.3 -0.679 23.8 176.4 -81.8 88.8 -6.3 4.9 7.0 52 51 A A S S+ 0 0 49 -2,-1.5 2,-1.9 1,-0.3 -1,-0.2 0.913 76.2 64.6 -55.0 -42.5 -7.9 1.6 8.0 53 52 A D S S+ 0 0 158 -3,-0.2 2,-0.3 9,-0.1 -1,-0.3 -0.431 78.0 160.8 -81.8 58.7 -11.1 3.6 8.5 54 53 A A > - 0 0 8 -2,-1.9 3,-2.8 -3,-0.3 2,-1.9 -0.682 54.9-103.7 -81.9 141.1 -11.4 4.5 4.8 55 54 A A T 3 S+ 0 0 118 -2,-0.3 -1,-0.1 1,-0.3 14,-0.1 -0.444 116.8 11.8 -65.3 84.0 -14.8 5.6 3.5 56 55 A G T 3 S+ 0 0 55 -2,-1.9 -1,-0.3 1,-0.2 5,-0.1 0.424 92.0 160.5 120.8 10.3 -15.6 2.2 1.8 57 56 A A < - 0 0 37 -3,-2.8 2,-0.3 -5,-0.1 5,-0.2 -0.170 13.6-178.3 -56.9 153.5 -12.8 0.0 3.3 58 57 A T B > -D 61 0C 72 3,-2.8 3,-1.5 1,-0.1 -4,-0.0 -0.937 44.6 -90.0-147.9 161.4 -13.1 -3.8 3.2 59 58 A D T 3 S+ 0 0 137 1,-0.3 15,-0.1 -2,-0.3 3,-0.1 0.844 126.0 36.2 -43.1 -56.3 -10.7 -6.5 4.6 60 59 A E T 3 S+ 0 0 84 1,-0.2 14,-2.7 13,-0.1 2,-0.4 0.699 122.6 47.1 -67.5 -25.5 -8.6 -6.9 1.5 61 60 A W E < +DE 58 73C 5 -3,-1.5 -3,-2.8 12,-0.3 12,-0.2 -0.933 64.1 163.4-135.8 106.4 -8.7 -3.2 0.5 62 61 A K E - E 0 72C 49 10,-1.9 10,-2.5 -2,-0.4 2,-0.4 -0.469 39.1 -94.5-111.5 179.4 -8.1 -0.3 3.0 63 62 A G E -C 51 0C 0 -12,-1.8 -12,-1.5 8,-0.2 2,-0.4 -0.812 23.6-145.7-105.6 145.1 -7.4 3.4 2.4 64 63 A C E > -CE 50 67C 14 3,-0.5 3,-2.1 -2,-0.4 -14,-0.2 -0.874 24.6-121.6-104.3 140.2 -4.0 5.1 2.2 65 64 A Q T 3 S+ 0 0 128 -16,-0.9 -1,-0.1 -2,-0.4 -15,-0.1 0.839 114.0 43.1 -45.8 -44.7 -3.6 8.7 3.4 66 65 A L T 3 S+ 0 0 86 1,-0.2 -1,-0.3 -17,-0.0 -52,-0.1 0.519 107.7 64.4 -83.2 -6.3 -2.4 9.9 0.0 67 66 A F E X +E 64 0C 5 -3,-2.1 3,-0.8 3,-0.1 -3,-0.5 -0.615 67.2 174.1-123.1 71.1 -5.0 7.9 -2.0 68 67 A P E 3 + 0 0 94 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.377 65.6 23.0 -75.5 154.6 -8.5 9.2 -1.2 69 68 A G E 3 S+ 0 0 80 1,-0.2 2,-0.3 -14,-0.1 -6,-0.0 0.639 118.8 65.3 63.7 16.6 -11.6 7.9 -3.0 70 69 A K E < S- 0 0 82 -3,-0.8 2,-0.3 -6,-0.1 -63,-0.2 -0.845 77.8-128.2-145.5 178.4 -9.8 4.7 -4.0 71 70 A L E -a 7 0A 6 -65,-1.5 -63,-3.0 -2,-0.3 2,-0.3 -0.987 7.9-139.5-135.6 146.2 -8.4 1.8 -1.8 72 71 A I E -E 62 0C 1 -10,-2.5 -10,-1.9 -2,-0.3 2,-0.2 -0.816 32.6-106.1-102.0 141.8 -4.9 0.1 -1.6 73 72 A N E > -E 61 0C 22 -2,-0.3 3,-2.4 -12,-0.2 -29,-0.4 -0.519 21.5-138.1 -64.7 131.0 -4.6 -3.7 -1.3 74 73 A V T 3 S+ 0 0 22 -14,-2.7 -29,-2.8 1,-0.3 -28,-0.3 0.786 108.5 52.0 -65.4 -25.6 -3.6 -4.5 2.3 75 74 A N T 3 S+ 0 0 89 -15,-0.4 -51,-3.0 -31,-0.2 -50,-0.3 0.087 98.4 90.4 -94.4 19.8 -1.2 -7.1 0.9 76 75 A G < - 0 0 0 -3,-2.4 -32,-2.3 -53,-0.3 -31,-0.3 -0.333 62.0-162.2 -93.9-174.2 0.1 -4.3 -1.4 77 76 A W - 0 0 0 -34,-0.3 -56,-2.1 -2,-0.1 -55,-0.6 -0.953 9.7-166.7-166.3 152.1 3.1 -2.1 -0.5 78 77 A S > - 0 0 11 -2,-0.3 3,-0.5 -58,-0.3 -59,-0.2 -0.879 38.8 -96.9-141.4 174.8 4.7 1.2 -1.4 79 78 A A T 3 S+ 0 0 30 -61,-3.2 2,-1.8 1,-0.3 3,-0.3 0.912 116.4 52.8 -58.4 -54.1 8.0 3.1 -0.7 80 79 A S T 3 S+ 0 0 51 -62,-0.3 -1,-0.3 1,-0.2 -31,-0.2 -0.362 76.2 129.6 -83.9 55.8 6.9 5.3 2.1 81 80 A W < - 0 0 2 -2,-1.8 -32,-0.7 -3,-0.5 -33,-0.3 0.989 35.5-176.9 -73.6 -75.2 5.6 2.3 4.1 82 81 A T - 0 0 66 -3,-0.3 -34,-2.9 -35,-0.2 -33,-0.3 0.833 37.5-100.0 68.8 108.5 7.0 2.6 7.6 83 82 A L B -B 47 0B 43 -48,-0.6 2,-0.5 -36,-0.2 -36,-0.2 -0.326 48.2 -94.6 -49.9 127.6 6.2 -0.2 10.0 84 83 A K + 0 0 131 -38,-2.8 -1,-0.2 1,-0.2 -37,-0.1 -0.375 62.5 154.7 -45.9 101.0 3.4 0.8 12.4 85 84 A A 0 0 96 -2,-0.5 -1,-0.2 -3,-0.1 -2,-0.1 -0.302 360.0 360.0-123.2 38.8 5.5 2.0 15.3 86 85 A G 0 0 72 -38,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.211 360.0 360.0 134.2 360.0 2.7 4.3 16.4