==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 06-MAY-12 4F1E . COMPND 2 MOLECULE: CDGSH IRON-SULFUR DOMAIN-CONTAINING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.I.BAXTER,J.A.ZURIS,C.WANG,H.L.AXELROD,A.E.COHEN,M.L.PADDOC . 1167 18 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 614 52.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 11.8 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 . 0 0.0 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 . 54 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 11.1 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 1 0 0 17 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 1 17 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 . 24 0 0 18 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 12 6 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 42 A K 0 0 99 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.8 15.3 17.5 23.8 2 43 A A - 0 0 71 1,-0.1 117,-0.1 117,-0.0 116,-0.1 -0.653 360.0-117.0 -93.8 143.1 14.2 16.7 20.2 3 44 A M - 0 0 70 -2,-0.3 -1,-0.1 115,-0.2 3,-0.1 -0.244 3.3-147.3 -73.2 158.3 10.6 16.5 18.9 4 45 A I S S+ 0 0 2 1,-0.2 2,-0.4 65,-0.0 -1,-0.1 0.867 90.2 53.5 -88.6 -53.6 8.8 13.5 17.4 5 46 A N + 0 0 0 1,-0.1 -1,-0.2 2,-0.1 116,-0.1 -0.750 61.4 170.3 -86.5 130.1 6.6 15.5 15.0 6 47 A L S S+ 0 0 75 28,-0.5 -1,-0.1 -2,-0.4 29,-0.1 0.726 72.7 5.8-111.2 -33.1 8.7 17.8 12.7 7 48 A H S > S+ 0 0 156 27,-0.4 3,-0.5 2,-0.0 2,-0.3 0.587 88.6 111.8-130.9 -17.8 6.3 19.1 10.0 8 49 A I T 3 S- 0 0 25 26,-0.3 7,-0.1 1,-0.2 4,-0.1 -0.529 99.3 -37.8 -75.6 125.9 2.6 18.1 10.6 9 50 A Q T > + 0 0 63 -2,-0.3 3,-1.9 1,-0.2 -1,-0.2 0.730 68.1 176.6 28.6 62.6 0.2 21.0 11.6 10 51 A K T < S+ 0 0 79 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.624 72.9 69.1 -70.5 -7.9 2.7 22.8 13.7 11 52 A D T 3 S+ 0 0 107 2,-0.0 -1,-0.3 110,-0.0 -2,-0.1 0.679 85.2 84.0 -78.4 -19.6 0.1 25.6 14.3 12 53 A N S < S- 0 0 2 -3,-1.9 3,-0.3 1,-0.1 811,-0.1 -0.760 71.3-152.6 -87.2 121.8 -1.9 23.0 16.4 13 54 A P S S+ 0 0 81 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.699 86.9 15.8 -69.3 -20.6 -0.7 22.8 20.1 14 55 A K S S- 0 0 61 806,-0.1 808,-2.5 2,-0.1 2,-0.8 -0.767 74.7-147.3-156.0 102.7 -1.8 19.1 20.5 15 56 A I E +aB 122 821A 1 106,-3.2 108,-0.7 -3,-0.3 2,-0.4 -0.666 29.1 167.1 -79.8 109.9 -2.7 17.0 17.4 16 57 A V E - 0 0 8 -2,-0.8 2,-0.4 804,-0.6 109,-0.2 -0.967 18.9-160.9-123.6 135.0 -5.5 14.6 18.4 17 58 A H E -a 125 0A 8 107,-1.6 109,-3.5 -2,-0.4 2,-0.4 -0.990 6.8-173.2-120.5 126.3 -7.5 12.4 15.9 18 59 A A E +a 126 0A 0 -2,-0.4 2,-0.3 107,-0.2 109,-0.2 -0.984 8.3 175.9-122.4 125.5 -10.9 11.0 17.0 19 60 A F E -a 127 0A 2 107,-2.9 109,-2.6 -2,-0.4 2,-0.3 -0.943 29.8-126.1-125.2 152.2 -12.8 8.6 14.7 20 61 A D E > -a 128 0A 0 -2,-0.3 3,-1.8 107,-0.2 4,-0.3 -0.716 33.9-117.7 -86.0 145.6 -16.0 6.5 15.0 21 62 A M G > S+ 0 0 19 107,-2.2 3,-1.1 -2,-0.3 4,-0.5 0.778 115.3 62.7 -58.5 -23.9 -15.4 2.8 14.2 22 63 A E G > S+ 0 0 82 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.740 93.4 63.2 -71.4 -25.9 -17.8 3.1 11.2 23 64 A D G < S+ 0 0 28 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.507 95.8 61.5 -75.4 -8.6 -15.3 5.7 9.6 24 65 A L G X S- 0 0 14 -3,-1.1 3,-0.8 -4,-0.3 -1,-0.2 0.748 82.7-167.7 -90.2 -27.7 -12.6 3.0 9.4 25 66 A G T < - 0 0 31 -3,-0.5 -1,-0.2 -4,-0.5 3,-0.1 -0.525 64.9 -23.4 70.3-137.3 -14.5 0.6 7.1 26 67 A G T 3 S- 0 0 43 1,-0.3 38,-2.4 -2,-0.2 2,-0.3 0.783 133.2 -1.7 -75.5 -32.1 -12.9 -2.8 6.9 27 68 A K E < -E 63 0B 86 -3,-0.8 2,-0.4 36,-0.3 -1,-0.3 -0.939 54.7-166.7-162.7 137.3 -9.4 -1.8 7.9 28 69 A A E -E 62 0B 7 34,-2.5 34,-2.7 -2,-0.3 2,-0.6 -0.990 8.3-158.3-128.3 135.5 -7.5 1.4 8.9 29 70 A V E -E 61 0B 44 -2,-0.4 13,-2.5 32,-0.2 2,-0.4 -0.971 17.8-158.8-116.6 108.6 -3.7 1.6 9.1 30 71 A Y E -EF 60 41B 2 30,-3.5 30,-2.3 -2,-0.6 2,-0.3 -0.769 14.6-122.5 -98.8 137.5 -2.6 4.6 11.4 31 72 A C + 0 0 2 9,-2.3 11,-0.0 -2,-0.4 -1,-0.0 -0.563 27.5 173.1 -75.0 134.2 0.8 6.3 11.4 32 73 A R S S+ 0 0 2 -2,-0.3 -1,-0.1 1,-0.0 26,-0.1 0.203 74.5 65.0-122.7 12.0 2.7 6.4 14.7 33 74 A C S S- 0 0 3 24,-0.1 -2,-0.0 36,-0.0 -1,-0.0 0.517 91.1-135.7-111.4 -13.2 5.9 7.9 13.2 34 75 A W S S+ 0 0 3 1,-0.1 -28,-0.5 -29,-0.1 -27,-0.4 0.771 80.8 101.5 61.8 31.3 4.5 11.4 12.2 35 76 A R + 0 0 59 -30,-0.1 -1,-0.1 -29,-0.1 2,-0.1 0.427 48.4 115.9-117.7 -7.9 6.4 11.1 8.8 36 77 A S > - 0 0 7 1,-0.1 3,-0.7 2,-0.1 6,-0.1 -0.376 58.1-150.2 -67.1 141.3 3.4 10.1 6.6 37 78 A K T 3 S+ 0 0 143 1,-0.2 -1,-0.1 -2,-0.1 5,-0.1 0.534 102.6 51.3 -84.7 -11.1 2.2 12.4 3.8 38 79 A K T > S- 0 0 65 3,-0.4 3,-2.3 2,-0.0 -1,-0.2 -0.087 99.1-160.5-110.9 22.9 -1.4 11.0 4.5 39 80 A F T < S+ 0 0 11 -3,-0.7 3,-0.1 1,-0.3 -9,-0.0 -0.178 72.6 33.3 -50.2 133.5 -1.3 11.6 8.3 40 81 A P T 3 S+ 0 0 0 0, 0.0 -9,-2.3 0, 0.0 -1,-0.3 -0.975 118.0 70.3 -84.4 3.7 -3.1 10.2 10.4 41 82 A F B < S-F 30 0B 50 -3,-2.3 -3,-0.4 -11,-0.3 -11,-0.3 -0.620 88.2-113.4 -88.8 145.3 -2.9 7.2 8.0 42 83 A C + 0 0 28 -13,-2.5 -13,-0.1 -2,-0.2 -1,-0.1 -0.566 30.6 175.8 -71.7 132.2 0.3 5.2 7.5 43 84 A D - 0 0 69 -2,-0.3 -1,-0.1 -13,-0.0 -13,-0.0 0.228 62.2 -95.5-118.8 8.2 1.8 5.6 3.9 44 85 A G S >> S+ 0 0 25 3,-0.0 3,-1.3 4,-0.0 4,-0.6 0.479 87.0 130.6 88.6 7.8 4.9 3.4 4.7 45 86 A A H 3> + 0 0 24 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.689 59.6 75.1 -64.5 -17.5 7.1 6.5 5.6 46 87 A H H 3> S+ 0 0 14 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.806 86.7 61.0 -63.6 -33.2 8.1 4.6 8.8 47 88 A T H <> S+ 0 0 68 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.930 107.4 43.5 -61.0 -46.2 10.4 2.2 6.7 48 89 A K H X S+ 0 0 55 -4,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.871 115.0 50.2 -67.5 -39.3 12.5 5.2 5.6 49 90 A H H X S+ 0 0 8 -4,-1.7 4,-2.5 2,-0.2 6,-0.5 0.913 111.8 47.1 -63.3 -47.4 12.5 6.7 9.2 50 91 A N H X S+ 0 0 19 -4,-3.1 4,-1.8 1,-0.2 5,-0.2 0.876 113.0 49.9 -62.1 -41.0 13.6 3.3 10.7 51 92 A E H < S+ 0 0 165 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.866 117.5 39.1 -64.8 -41.8 16.4 2.9 8.0 52 93 A E H < S+ 0 0 157 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.809 128.5 29.2 -81.0 -36.4 17.8 6.5 8.6 53 94 A T H < S- 0 0 40 -4,-2.5 15,-0.2 -5,-0.2 -3,-0.2 0.592 100.1-119.8-101.9 -14.9 17.5 6.7 12.4 54 95 A G < + 0 0 59 -4,-1.8 -4,-0.2 -5,-0.3 -3,-0.2 0.631 64.8 147.6 81.0 15.5 17.9 3.0 13.4 55 96 A D - 0 0 7 -6,-0.5 -1,-0.2 -5,-0.2 16,-0.1 -0.153 46.8-148.6 -77.3 171.8 14.3 3.2 15.0 56 97 A N + 0 0 7 14,-0.1 24,-3.4 17,-0.1 700,-0.1 -0.049 43.7 141.2-135.0 31.4 11.8 0.3 15.1 57 98 A V E + g 0 80B 0 22,-0.2 -7,-0.2 -11,-0.2 24,-0.1 -0.454 21.9 173.3 -78.1 149.8 8.4 2.2 15.0 58 99 A G E - 0 0 3 22,-0.7 22,-0.1 -2,-0.1 23,-0.1 -0.933 29.4 -83.7-147.9 170.4 5.5 0.8 13.0 59 100 A P E - 0 0 9 0, 0.0 23,-1.5 0, 0.0 2,-0.5 -0.046 31.1-116.7 -76.7 175.7 1.8 1.6 12.4 60 101 A L E -Eg 30 82B 1 -30,-2.3 -30,-3.5 21,-0.2 2,-0.5 -0.976 26.7-157.4-111.3 123.7 -1.4 0.7 14.3 61 102 A I E -Eg 29 83B 6 21,-3.3 23,-2.9 -2,-0.5 2,-0.5 -0.925 11.4-177.9-109.3 124.1 -3.9 -1.5 12.4 62 103 A I E +Eg 28 84B 0 -34,-2.7 -34,-2.5 -2,-0.5 2,-0.3 -0.988 19.7 162.9-119.1 120.2 -7.6 -1.6 13.3 63 104 A K E -Eg 27 85B 27 21,-2.6 23,-2.0 -2,-0.5 2,-0.3 -0.869 41.1 -95.3-134.4 168.7 -9.7 -4.0 11.3 64 105 A K 0 0 126 -38,-2.4 -38,-0.0 -2,-0.3 21,-0.0 -0.679 360.0 360.0 -81.9 138.4 -13.1 -5.9 11.2 65 106 A K 0 0 93 -2,-0.3 -1,-0.1 682,-0.0 683,-0.1 0.971 360.0 360.0 -66.7 360.0 -13.1 -9.5 12.6 66 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 67 43 B A 0 0 104 0, 0.0 -14,-0.1 0, 0.0 -13,-0.1 0.000 360.0 360.0 360.0 131.3 17.1 11.0 15.9 68 44 B M - 0 0 73 -15,-0.2 3,-0.1 1,-0.1 -18,-0.0 -0.324 360.0-153.7 -74.2 155.3 14.8 8.1 16.9 69 45 B I S S+ 0 0 2 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.857 85.9 53.4 -92.5 -50.8 11.1 8.5 18.0 70 46 B N + 0 0 0 1,-0.1 -1,-0.2 2,-0.1 -14,-0.1 -0.765 60.2 170.6 -90.0 131.9 10.9 5.4 20.2 71 47 B L S S+ 0 0 101 28,-0.5 -1,-0.1 -2,-0.5 29,-0.1 0.732 72.1 11.5-111.4 -31.0 13.6 5.2 22.8 72 48 B H S S+ 0 0 112 27,-0.4 3,-0.4 2,-0.1 2,-0.4 0.530 86.7 111.8-128.2 -14.8 12.7 2.2 25.1 73 49 B I S S- 0 0 13 1,-0.2 4,-0.1 26,-0.2 7,-0.1 -0.613 97.5 -39.4 -81.4 132.0 9.9 0.0 23.8 74 50 B Q > + 0 0 64 -2,-0.4 3,-1.8 1,-0.2 -1,-0.2 0.730 67.2 178.2 26.8 61.7 10.7 -3.6 22.7 75 51 B K T 3 S+ 0 0 79 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.614 73.6 69.0 -71.6 -4.6 14.0 -2.6 21.1 76 52 B D T 3 S+ 0 0 112 2,-0.0 -1,-0.3 -20,-0.0 -2,-0.1 0.652 85.9 83.9 -80.3 -17.5 14.6 -6.3 20.2 77 53 B N S < S- 0 0 1 -3,-1.8 3,-0.3 1,-0.1 680,-0.1 -0.796 70.6-154.4 -88.5 120.2 11.7 -5.9 17.7 78 54 B P S S+ 0 0 89 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.673 86.8 17.3 -68.6 -19.5 12.9 -4.4 14.3 79 55 B K S S- 0 0 68 675,-0.1 677,-2.6 2,-0.1 2,-0.7 -0.753 74.1-148.3-156.0 103.7 9.3 -2.9 13.6 80 56 B I E +gH 57 755B 1 -24,-3.4 -22,-0.7 -3,-0.3 2,-0.4 -0.666 28.0 168.6 -80.8 110.5 6.7 -2.5 16.3 81 57 B V E - 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0 0 2 1,-0.1 3,-0.8 2,-0.1 6,-0.1 -0.385 59.2-148.8 -65.9 141.7 3.2 5.8 27.5 102 78 B K T 3 S+ 0 0 111 1,-0.2 -1,-0.1 -2,-0.1 5,-0.1 0.608 103.2 51.3 -83.0 -13.7 3.8 3.2 30.2 103 79 B K T > S- 0 0 121 3,-0.4 3,-2.2 2,-0.0 -1,-0.2 0.008 98.8-162.7-107.8 17.9 0.5 1.5 28.9 104 80 B F T < S+ 0 0 10 -3,-0.8 3,-0.1 1,-0.4 -9,-0.1 -0.114 73.0 34.3 -44.1 132.8 1.8 1.4 25.2 105 81 B P T 3 S+ 0 0 0 0, 0.0 -9,-2.2 0, 0.0 -1,-0.4 -0.981 119.4 68.9 -82.6 4.1 0.0 1.0 22.6 106 82 B F B < S-D 95 0A 44 -3,-2.2 -3,-0.4 -11,-0.3 -11,-0.3 -0.592 87.7-113.5 -90.1 146.9 -2.5 2.9 24.8 107 83 B C + 0 0 29 -13,-2.6 -13,-0.1 -2,-0.2 -1,-0.1 -0.590 30.9 174.4 -75.1 133.2 -2.2 6.6 25.8 108 84 B D - 0 0 69 -2,-0.3 -1,-0.1 -13,-0.0 -13,-0.0 0.215 63.5 -93.8-121.2 8.1 -1.7 7.3 29.5 109 85 B G S >> S+ 0 0 31 3,-0.0 3,-1.3 4,-0.0 4,-0.5 0.461 87.9 129.7 89.0 7.8 -1.2 11.1 29.1 110 86 B A H 3> + 0 0 23 1,-0.2 4,-1.7 2,-0.2 3,-0.1 0.671 60.0 74.3 -65.8 -17.8 2.7 10.9 28.9 111 87 B H H 3> S+ 0 0 13 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.815 87.5 61.7 -63.3 -32.9 2.5 13.1 25.7 112 88 B T H <> S+ 0 0 78 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.927 106.6 43.6 -59.1 -48.6 1.8 16.1 27.9 113 89 B K H X S+ 0 0 85 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.874 115.3 49.9 -65.2 -40.4 5.2 15.7 29.7 114 90 B H H X S+ 0 0 11 -4,-1.7 4,-2.5 2,-0.2 6,-0.5 0.911 111.9 47.0 -63.3 -47.4 6.9 15.1 26.2 115 91 B N H X S+ 0 0 22 -4,-3.1 4,-1.9 1,-0.2 5,-0.2 0.873 112.8 50.2 -62.5 -39.8 5.3 18.2 24.6 116 92 B E H < S+ 0 0 156 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.857 117.4 39.2 -66.1 -41.3 6.3 20.4 27.7 117 93 B E H < S+ 0 0 136 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.813 129.0 28.2 -81.0 -37.4 9.9 19.2 27.6 118 94 B T H < S- 0 0 23 -4,-2.5 -115,-0.2 -5,-0.2 -3,-0.2 0.622 100.0-119.9-101.2 -17.6 10.6 19.2 23.8 119 95 B G < + 0 0 59 -4,-1.9 -4,-0.2 -5,-0.3 -3,-0.2 0.636 63.9 148.7 82.6 17.2 8.1 21.9 22.7 120 96 B D - 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