==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER (IRON-SULFUR) 17-JAN-95 1HRR . COMPND 2 MOLECULE: REDUCED HIGH POTENTIAL IRON SULFUR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ALLOCHROMATIUM VINOSUM; . AUTHOR L.BANCI,I.BERTINI,A.DIKIY,D.H.W.KASTRAU,C.LUCHINAT, . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 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 . 2 2.4 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 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 8.2 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 . 3 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 S 0 0 86 0, 0.0 57,-0.3 0, 0.0 58,-0.2 0.000 360.0 360.0 360.0 135.8 -1.1 9.4 12.9 2 2 A A - 0 0 76 55,-0.1 4,-0.1 56,-0.1 2,-0.1 -0.587 360.0-142.2 -79.8 123.6 -3.6 6.5 12.0 3 3 A P > - 0 0 20 0, 0.0 3,-0.8 0, 0.0 67,-0.1 -0.352 22.2-118.7 -70.3 161.8 -6.9 7.6 10.4 4 4 A A T 3 S+ 0 0 106 1,-0.3 2,-1.4 -2,-0.1 65,-0.0 0.952 118.0 56.3 -61.6 -46.2 -10.1 5.8 11.3 5 5 A N T 3 S+ 0 0 71 63,-0.1 65,-2.3 64,-0.1 2,-0.4 -0.286 81.8 143.9 -82.8 49.9 -10.3 4.8 7.6 6 6 A A B < -a 70 0A 28 -2,-1.4 2,-0.9 -3,-0.8 65,-0.2 -0.784 57.4-121.6 -85.6 133.9 -6.9 3.2 7.8 7 7 A V - 0 0 0 63,-3.1 65,-0.3 -2,-0.4 2,-0.2 -0.709 34.7-148.5 -71.2 110.4 -6.3 0.0 5.8 8 8 A A > - 0 0 44 -2,-0.9 3,-2.1 1,-0.1 6,-0.2 -0.529 20.8-119.5 -75.4 147.4 -5.3 -2.4 8.5 9 9 A A T 3 S+ 0 0 42 1,-0.3 10,-0.2 -2,-0.2 -1,-0.1 0.886 119.9 48.0 -48.9 -41.3 -2.9 -5.2 7.8 10 10 A D T 3 S+ 0 0 135 4,-0.1 -1,-0.3 5,-0.0 10,-0.0 0.208 82.4 131.1 -90.9 11.6 -5.8 -7.5 8.8 11 11 A D <> - 0 0 26 -3,-2.1 4,-2.9 1,-0.1 5,-0.1 -0.344 65.8-126.8 -58.6 150.0 -8.4 -5.7 6.6 12 12 A A H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.939 115.8 45.9 -66.9 -43.5 -10.4 -8.2 4.5 13 13 A T H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 111.2 53.0 -62.6 -42.8 -9.5 -6.1 1.4 14 14 A A H >>S+ 0 0 0 -6,-0.2 5,-2.6 2,-0.2 4,-1.1 0.933 108.0 50.6 -58.0 -46.7 -5.9 -6.0 2.7 15 15 A I H ><5S+ 0 0 91 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.954 110.1 49.4 -55.3 -52.4 -5.9 -9.8 2.9 16 16 A A H 3<5S+ 0 0 83 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.859 118.8 39.6 -54.0 -38.7 -7.2 -10.1 -0.6 17 17 A L H 3<5S- 0 0 42 -4,-2.3 61,-3.0 -5,-0.1 62,-0.3 0.557 106.3-128.5 -83.7 -10.7 -4.4 -7.6 -1.7 18 18 A K T <<5 + 0 0 105 -3,-1.2 9,-0.2 -4,-1.1 -3,-0.2 0.922 49.4 174.1 47.2 49.6 -1.8 -9.3 0.6 19 19 A Y < - 0 0 10 -5,-2.6 2,-0.4 58,-0.2 58,-0.3 -0.537 22.4-167.0 -76.3 147.5 -1.2 -5.8 1.8 20 20 A N B -B 76 0B 35 56,-2.6 56,-2.1 -2,-0.2 3,-0.1 -0.990 20.8-145.5-129.0 139.9 1.1 -4.9 4.7 21 21 A Q S S+ 0 0 67 -2,-0.4 2,-0.7 54,-0.2 -1,-0.1 0.825 100.0 48.2 -59.3 -42.5 1.2 -1.5 6.4 22 22 A D S > S- 0 0 58 1,-0.1 3,-2.4 53,-0.1 53,-0.3 -0.913 74.8-161.7-105.9 104.0 4.9 -2.0 6.9 23 23 A A G > S+ 0 0 1 51,-2.8 3,-2.2 -2,-0.7 5,-0.3 0.775 87.0 70.8 -55.2 -28.3 6.5 -3.1 3.7 24 24 A T G 3 S+ 0 0 78 1,-0.3 -1,-0.3 50,-0.2 51,-0.1 0.652 104.2 43.4 -68.2 -10.8 9.6 -4.4 5.6 25 25 A K G < S+ 0 0 133 -3,-2.4 -1,-0.3 3,-0.0 2,-0.2 0.086 96.1 108.6-115.3 16.3 7.2 -7.1 6.9 26 26 A S S X S- 0 0 16 -3,-2.2 3,-0.6 -6,-0.1 4,-0.1 -0.603 79.5-123.5 -80.2 158.0 5.6 -7.7 3.5 27 27 A E T >> S+ 0 0 62 -9,-0.2 4,-2.5 -2,-0.2 3,-1.2 0.267 80.1 117.8 -71.9 3.9 6.2 -10.8 1.4 28 28 A R H 3> + 0 0 3 -5,-0.3 4,-2.9 1,-0.3 5,-0.4 0.830 69.5 56.5 -47.0 -40.2 7.3 -8.3 -1.3 29 29 A V H <4 S+ 0 0 87 -3,-0.6 -1,-0.3 2,-0.2 -2,-0.1 0.885 111.0 43.3 -57.5 -43.5 10.8 -9.9 -1.3 30 30 A A H <4 S+ 0 0 86 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.914 116.4 46.8 -69.2 -45.8 9.2 -13.3 -2.1 31 31 A A H < S- 0 0 51 -4,-2.5 -2,-0.2 1,-0.0 -1,-0.2 0.868 82.2-174.1 -61.5 -40.9 6.9 -11.8 -4.7 32 32 A A < - 0 0 59 -4,-2.9 -3,-0.1 -5,-0.3 -4,-0.1 0.851 12.2-164.6 38.6 55.2 9.8 -9.8 -6.3 33 33 A R - 0 0 84 -5,-0.4 3,-0.4 1,-0.1 -1,-0.1 -0.300 22.9-103.8 -59.1 146.9 7.5 -7.9 -8.7 34 34 A P S S+ 0 0 111 0, 0.0 48,-0.2 0, 0.0 2,-0.2 -0.241 91.6 70.8 -66.2 163.8 9.3 -6.2 -11.6 35 35 A G S S- 0 0 41 46,-0.1 46,-0.1 49,-0.0 -2,-0.0 -0.616 110.6 -9.9 128.8 -66.3 9.7 -2.4 -11.5 36 36 A L S S- 0 0 67 -3,-0.4 5,-0.1 -2,-0.2 46,-0.0 -0.902 94.9 -67.9-154.7 165.8 12.4 -1.9 -8.8 37 37 A P >> - 0 0 69 0, 0.0 3,-1.7 0, 0.0 4,-0.7 -0.303 54.7-105.1 -71.2 151.7 13.9 -4.3 -6.2 38 38 A P G >4 S+ 0 0 30 0, 0.0 3,-2.0 0, 0.0 -9,-0.1 0.831 115.9 57.3 -52.0 -44.4 11.5 -5.5 -3.5 39 39 A E G 34 S+ 0 0 87 1,-0.3 -10,-0.0 -11,-0.1 -16,-0.0 0.813 106.6 49.8 -63.6 -25.7 12.8 -3.3 -0.6 40 40 A E G <4 S+ 0 0 99 -3,-1.7 2,-0.6 -17,-0.0 -1,-0.3 0.604 90.5 102.9 -80.2 -13.2 12.2 -0.1 -2.6 41 41 A Q << + 0 0 0 -3,-2.0 2,-0.3 -4,-0.7 -13,-0.1 -0.624 45.0 126.7 -77.1 118.6 8.6 -1.3 -3.4 42 42 A H S > S- 0 0 53 -2,-0.6 3,-2.1 1,-0.1 34,-0.3 -0.967 73.9 -94.0-160.7 167.0 5.9 0.4 -1.3 43 43 A C G > S+ 0 0 7 32,-2.3 3,-2.3 29,-0.4 30,-0.2 0.844 116.1 74.2 -48.8 -38.8 2.6 2.4 -1.7 44 44 A A G 3 S+ 0 0 44 29,-3.0 -1,-0.3 31,-0.3 30,-0.1 0.812 112.6 23.6 -36.9 -47.0 4.8 5.6 -1.5 45 45 A N G < S+ 0 0 30 -3,-2.1 38,-2.2 28,-0.3 -1,-0.3 0.043 92.9 135.1-117.1 23.0 6.0 4.8 -5.1 46 46 A C B X -C 82 0C 5 -3,-2.3 3,-2.0 36,-0.2 36,-0.2 -0.540 64.7-112.8 -81.2 139.5 3.0 2.7 -6.2 47 47 A Q T 3 S+ 0 0 44 34,-2.7 -1,-0.1 1,-0.3 35,-0.1 0.824 106.3 19.9 -48.7 -62.4 1.7 3.7 -9.6 48 48 A F T 3 S+ 0 0 135 33,-0.1 -1,-0.3 2,-0.1 2,-0.3 -0.017 84.7 140.4-102.5 27.6 -1.8 5.2 -9.0 49 49 A M < - 0 0 27 -3,-2.0 2,-0.4 14,-0.2 14,-0.2 -0.615 38.8-156.3 -66.4 132.4 -1.2 6.0 -5.3 50 50 A Q B -D 62 0D 71 12,-3.2 12,-2.8 -2,-0.3 3,-0.2 -0.939 33.7-175.7-118.2 131.7 -2.8 9.4 -4.7 51 51 A A S > S+ 0 0 58 -2,-0.4 3,-0.5 10,-0.2 5,-0.3 0.720 87.8 70.9 -82.1 -26.9 -2.2 12.0 -2.1 52 52 A D T 3 + 0 0 148 1,-0.2 -1,-0.1 10,-0.1 3,-0.1 0.363 65.6 100.2 -73.1 -2.5 -5.1 13.9 -3.6 53 53 A A T 3 S- 0 0 48 -3,-0.2 -1,-0.2 1,-0.1 15,-0.1 0.399 86.0-121.6 -75.0 2.2 -7.8 11.5 -2.3 54 54 A A S < S+ 0 0 76 -3,-0.5 2,-1.0 1,-0.1 -1,-0.1 0.208 93.3 53.6 61.5 159.8 -8.8 13.7 0.7 55 55 A G S S+ 0 0 52 1,-0.2 -1,-0.1 -3,-0.1 5,-0.1 0.044 74.2 140.8 76.2 -31.9 -8.6 12.3 4.2 56 56 A A - 0 0 32 -2,-1.0 5,-0.2 -5,-0.3 -1,-0.2 -0.142 29.9-176.8 -40.6 127.4 -4.9 11.5 3.5 57 57 A T - 0 0 54 3,-1.0 -1,-0.1 -3,-0.1 -55,-0.1 0.194 43.6 -54.4-107.1-136.0 -2.8 12.3 6.7 58 58 A D S S+ 0 0 80 -57,-0.3 -56,-0.1 1,-0.1 -2,-0.0 0.989 133.4 7.3 -76.8 -72.1 0.9 12.1 7.6 59 59 A E S S+ 0 0 68 -58,-0.2 14,-2.9 13,-0.1 2,-0.4 0.453 118.1 91.9 -86.8 -5.5 1.8 8.5 6.7 60 60 A W E +E 72 0E 8 12,-0.2 -3,-1.0 -59,-0.2 12,-0.2 -0.853 46.2 158.3-117.6 126.9 -1.6 7.8 5.1 61 61 A K E -E 71 0E 42 10,-2.9 10,-1.9 -2,-0.4 2,-0.5 -0.742 43.6 -84.5-135.8 175.7 -2.6 8.2 1.4 62 62 A G B -D 50 0D 4 -12,-2.8 -12,-3.2 8,-0.2 2,-0.6 -0.799 37.5-142.5 -93.2 122.0 -5.2 7.0 -1.1 63 63 A C > - 0 0 17 -2,-0.5 3,-2.8 6,-0.3 -14,-0.2 -0.778 37.6 -89.6 -86.6 122.6 -4.4 3.7 -2.9 64 64 A Q T 3 S- 0 0 39 -2,-0.6 -1,-0.0 1,-0.3 -2,-0.0 0.280 111.9 -7.5 31.4 -94.1 -5.4 3.4 -6.6 65 65 A L T 3 S+ 0 0 168 2,-0.1 -1,-0.3 -16,-0.0 -16,-0.1 -0.435 94.2 125.9-130.1 54.1 -9.0 2.0 -6.3 66 66 A F < - 0 0 14 -3,-2.8 -3,-0.3 3,-0.1 5,-0.1 -0.801 54.0-149.7-109.3 79.8 -9.2 1.4 -2.5 67 67 A P - 0 0 111 0, 0.0 2,-2.0 0, 0.0 3,-0.1 -0.233 62.8 -7.6 -67.7 143.3 -12.3 3.4 -1.8 68 68 A G S S+ 0 0 69 -15,-0.1 -63,-0.1 1,-0.1 2,-0.1 -0.222 114.0 88.3 79.1 -48.5 -12.9 5.2 1.5 69 69 A K - 0 0 60 -2,-2.0 2,-0.4 -6,-0.1 -6,-0.3 -0.340 66.8-142.1 -80.2 161.9 -9.9 3.6 3.2 70 70 A L B -a 6 0A 4 -65,-2.3 -63,-3.1 -8,-0.1 -8,-0.2 -0.990 9.3-146.7-125.1 134.9 -6.3 5.0 3.2 71 71 A I E -E 61 0E 0 -10,-1.9 -10,-2.9 -2,-0.4 2,-0.4 -0.580 25.7-107.5 -92.6 161.6 -3.1 2.9 3.0 72 72 A N E > -E 60 0E 16 -65,-0.3 3,-2.7 -12,-0.2 -29,-0.4 -0.787 20.8-132.7 -87.1 133.4 0.2 3.8 4.7 73 73 A V T 3 S+ 0 0 30 -14,-2.9 -29,-3.0 -2,-0.4 -28,-0.3 0.817 108.4 59.3 -50.4 -36.0 2.9 5.0 2.2 74 74 A N T 3 S+ 0 0 85 -15,-0.4 -51,-2.8 -31,-0.2 -1,-0.3 0.491 94.5 89.8 -72.9 -6.2 5.3 2.6 3.9 75 75 A G < - 0 0 0 -3,-2.7 -32,-2.3 -53,-0.3 -31,-0.3 -0.097 58.4-157.5 -85.6-176.8 3.0 -0.3 3.0 76 76 A W B -B 20 0B 3 -56,-2.1 -56,-2.6 -34,-0.3 2,-0.3 -0.951 5.5-170.0-154.0 154.8 2.9 -2.7 0.0 77 77 A C > - 0 0 7 -2,-0.3 3,-2.5 -58,-0.3 -59,-0.2 -0.932 42.7 -99.0-142.1 168.9 0.4 -5.0 -1.7 78 78 A A T 3 S+ 0 0 42 -61,-3.0 -60,-0.1 1,-0.3 -61,-0.1 0.762 121.2 59.9 -56.7 -29.4 0.5 -7.7 -4.5 79 79 A S T 3 S+ 0 0 51 -62,-0.3 -1,-0.3 2,-0.0 -61,-0.1 0.487 74.6 141.0 -77.4 -4.9 -0.8 -5.0 -7.0 80 80 A W < + 0 0 0 -3,-2.5 2,-0.3 -34,-0.1 -34,-0.1 -0.120 22.2 170.6 -46.7 128.8 2.3 -2.8 -6.3 81 81 A T - 0 0 35 -39,-0.1 -34,-2.7 -38,-0.1 -46,-0.1 -0.975 35.9-106.0-141.9 137.2 3.4 -1.3 -9.7 82 82 A L B > -C 46 0C 30 3,-3.0 3,-2.5 -2,-0.3 2,-0.8 -0.428 39.7 -94.9 -70.0 145.5 6.1 1.5 -9.8 83 83 A K T 3 S- 0 0 87 -38,-2.2 -1,-0.1 1,-0.3 -37,-0.1 -0.504 122.6 -0.2 -45.6 100.6 5.1 5.1 -10.6 84 84 A A T 3 0 0 93 -2,-0.8 -1,-0.3 -3,-0.0 -2,-0.1 0.885 360.0 360.0 61.6 50.3 5.8 4.6 -14.3 85 85 A G < 0 0 60 -3,-2.5 -3,-3.0 -51,-0.1 -2,-0.1 -0.123 360.0 360.0-173.1 360.0 6.9 0.9 -14.0