==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 31-MAY-13 3WCQ . COMPND 2 MOLECULE: FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CYANIDIOSCHYZON MEROLAE; . AUTHOR Y.UENO,T.MATSUMOTO,A.YAMANO,T.IMAI,Y.MORIMOTO . 97 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5312.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 1 1.0 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 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.1 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 M 0 0 133 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 140.3 4.9 2.3 -23.2 2 2 A Y E -A 19 0A 78 17,-2.0 17,-2.3 80,-0.1 2,-0.5 -0.677 360.0-139.5 -84.5 142.8 5.5 4.0 -19.9 3 3 A K E -A 18 0A 104 -2,-0.3 83,-2.4 15,-0.2 2,-0.5 -0.867 16.7-166.5-102.8 129.9 6.5 1.9 -16.9 4 4 A I E -Ab 17 86A 0 13,-2.9 13,-2.7 -2,-0.5 2,-0.6 -0.962 7.5-156.9-123.2 111.0 4.8 2.9 -13.6 5 5 A Q E -Ab 16 87A 69 81,-2.8 83,-2.9 -2,-0.5 2,-0.5 -0.821 11.5-159.1 -87.5 121.0 6.3 1.5 -10.3 6 6 A L E +Ab 15 88A 0 9,-3.2 9,-2.2 -2,-0.6 2,-0.4 -0.887 17.8 177.5-106.1 124.6 3.5 1.6 -7.7 7 7 A V E +Ab 14 89A 27 81,-2.4 83,-2.1 -2,-0.5 7,-0.2 -0.977 28.9 123.8-131.1 140.8 4.8 1.5 -4.1 8 8 A N - 0 0 34 5,-2.7 2,-0.4 -2,-0.4 3,-0.2 0.243 33.0-160.2-136.1 -69.9 3.5 1.6 -0.5 9 9 A Q S > S+ 0 0 158 1,-0.6 3,-2.4 0, 0.0 2,-0.2 -0.756 81.5 71.5 118.2 -58.0 4.6 -1.3 1.6 10 10 A K G > S+ 0 0 161 -2,-0.4 3,-0.7 1,-0.3 -1,-0.6 -0.515 104.3 37.8 -66.2 143.2 1.9 -1.0 4.2 11 11 A E G 3 S- 0 0 107 1,-0.2 -1,-0.3 -3,-0.2 80,-0.0 0.203 132.0-104.1 85.3 -10.1 -1.0 -2.1 1.9 12 12 A G G < + 0 0 63 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.323 66.2 166.1 86.3 1.2 1.8 -4.4 0.9 13 13 A I < + 0 0 25 -3,-0.7 -5,-2.7 2,-0.0 -1,-0.2 -0.341 23.7 124.4-103.4 127.9 2.7 -2.7 -2.4 14 14 A D E +A 7 0A 114 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.569 35.1 135.0-161.5 98.5 5.5 -2.8 -4.8 15 15 A V E -A 6 0A 54 -9,-2.2 -9,-3.2 -2,-0.1 2,-0.5 -0.999 41.1-140.3-148.5 141.6 4.5 -3.7 -8.3 16 16 A T E +A 5 0A 82 -2,-0.3 2,-0.2 -11,-0.3 -11,-0.2 -0.893 23.1 176.7-106.3 136.8 5.3 -2.3 -11.8 17 17 A I E -A 4 0A 5 -13,-2.7 -13,-2.9 -2,-0.5 2,-0.3 -0.745 25.6-121.9-122.6 169.0 2.7 -1.9 -14.4 18 18 A Q E -A 3 0A 90 -2,-0.2 2,-0.3 -15,-0.2 -15,-0.2 -0.850 26.4-173.2-108.4 157.4 2.8 -0.4 -18.0 19 19 A C E -A 2 0A 0 -17,-2.3 -17,-2.0 -2,-0.3 2,-0.1 -0.973 18.7-131.3-151.0 131.7 0.5 2.5 -19.1 20 20 A A > - 0 0 22 -2,-0.3 3,-1.6 -19,-0.2 8,-0.1 -0.367 31.5-110.4 -75.6 160.8 -0.1 4.1 -22.4 21 21 A G T 3 S+ 0 0 43 1,-0.3 -1,-0.1 60,-0.1 60,-0.0 0.715 119.1 49.1 -66.6 -16.7 0.0 7.9 -22.8 22 22 A D T 3 S+ 0 0 137 2,-0.1 2,-0.4 59,-0.1 -1,-0.3 0.058 97.8 84.6-107.6 23.7 -3.7 7.9 -23.4 23 23 A Q S < S- 0 0 35 -3,-1.6 2,-0.1 59,-0.2 56,-0.1 -0.984 77.7-121.0-128.4 135.9 -4.6 5.7 -20.4 24 24 A Y > - 0 0 50 -2,-0.4 4,-2.4 57,-0.2 5,-0.2 -0.468 24.8-120.0 -72.0 148.6 -5.2 6.8 -16.8 25 25 A I H > S+ 0 0 0 55,-2.5 4,-2.6 1,-0.2 5,-0.2 0.898 111.6 51.0 -53.6 -47.9 -2.9 5.3 -14.1 26 26 A L H > S+ 0 0 0 51,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.915 110.4 48.5 -59.8 -46.1 -5.9 3.8 -12.2 27 27 A D H > S+ 0 0 59 50,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.913 112.0 49.0 -61.4 -43.2 -7.4 2.1 -15.3 28 28 A A H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.909 110.3 51.1 -61.1 -45.0 -4.0 0.7 -16.3 29 29 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.7 -5,-0.2 3,-1.0 0.938 110.9 48.3 -58.5 -45.7 -3.5 -0.7 -12.8 30 30 A E H ><5S+ 0 0 66 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.886 107.3 55.0 -63.0 -39.8 -6.9 -2.4 -12.8 31 31 A E H 3<5S+ 0 0 153 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.676 110.9 48.4 -64.5 -21.1 -6.3 -3.9 -16.2 32 32 A Q T <<5S- 0 0 77 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.033 125.1 -96.7-111.9 22.4 -3.1 -5.5 -14.8 33 33 A G T < 5S+ 0 0 73 -3,-1.6 2,-0.6 1,-0.2 -3,-0.2 0.633 78.6 134.7 81.3 19.3 -4.5 -6.9 -11.6 34 34 A V < - 0 0 18 -5,-2.7 2,-0.8 -6,-0.2 -1,-0.2 -0.900 45.0-148.0-110.2 121.1 -3.7 -4.1 -9.2 35 35 A D + 0 0 141 -2,-0.6 -9,-0.0 -5,-0.0 -5,-0.0 -0.788 24.9 173.7 -89.9 100.5 -6.4 -3.0 -6.8 36 36 A L - 0 0 2 -2,-0.8 2,-0.1 -10,-0.2 12,-0.1 -0.848 35.9 -97.0-106.1 154.1 -6.0 0.7 -6.1 37 37 A P + 0 0 34 0, 0.0 2,-0.3 0, 0.0 54,-0.1 -0.360 52.9 147.4 -73.8 144.9 -8.4 2.8 -4.1 38 38 A Y + 0 0 112 -2,-0.1 8,-0.0 10,-0.1 0, 0.0 -0.981 20.7 167.0-163.2 163.3 -11.1 4.9 -5.7 39 39 A S S S+ 0 0 69 -2,-0.3 -1,-0.0 6,-0.0 6,-0.0 0.260 82.6 24.2-138.4 -74.2 -14.6 6.3 -5.3 40 40 A C S S- 0 0 57 1,-0.1 -2,-0.0 2,-0.0 6,-0.0 0.740 71.6-159.0 -72.2 -36.4 -15.7 9.1 -7.8 41 41 A R + 0 0 85 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.687 69.3 95.3 58.9 24.7 -13.3 8.3 -10.6 42 42 A A S S- 0 0 63 37,-0.0 -1,-0.1 19,-0.0 37,-0.0 0.294 100.7-105.6-130.3 8.4 -13.8 11.9 -11.7 43 43 A G S S+ 0 0 0 19,-0.1 20,-3.3 20,-0.1 21,-0.4 0.585 92.5 107.2 76.4 14.7 -11.0 13.9 -10.2 44 44 A A S S+ 0 0 51 18,-0.2 2,-0.2 19,-0.1 -1,-0.1 0.067 73.7 33.9-117.6 25.1 -13.3 15.5 -7.6 45 45 A C S S- 0 0 24 20,-0.0 19,-0.2 -6,-0.0 18,-0.1 -0.862 74.8-116.3-156.0-173.6 -12.2 13.7 -4.4 46 46 A S S > S+ 0 0 18 -2,-0.2 3,-2.0 1,-0.1 47,-0.1 0.355 76.8 106.9-117.9 9.1 -9.1 12.4 -2.7 47 47 A T T 3 S+ 0 0 41 1,-0.3 46,-0.3 45,-0.1 -1,-0.1 0.866 87.6 41.0 -55.0 -44.2 -9.9 8.6 -2.4 48 48 A C T 3 S+ 0 0 4 44,-0.1 29,-1.4 43,-0.1 -1,-0.3 0.220 85.2 148.1 -88.6 11.9 -7.4 7.7 -5.3 49 49 A A E < +C 76 0A 1 -3,-2.0 43,-2.2 27,-0.2 44,-0.6 -0.178 15.6 166.2 -57.7 140.3 -4.7 10.1 -4.2 50 50 A G E -C 75 0A 0 25,-2.8 25,-2.3 42,-0.2 2,-0.4 -0.759 32.3-118.7-132.0 179.6 -1.1 9.1 -4.9 51 51 A K E -CD 74 89A 53 38,-2.2 38,-3.0 23,-0.2 2,-0.8 -0.984 14.1-141.9-129.6 122.6 2.2 10.9 -4.8 52 52 A L E + D 0 88A 33 21,-3.0 36,-0.2 -2,-0.4 3,-0.1 -0.740 28.7 166.3 -79.5 112.7 4.4 11.2 -7.9 53 53 A V E + 0 0 73 34,-2.3 2,-0.3 -2,-0.8 35,-0.2 0.483 68.8 20.8-111.5 -5.1 8.0 10.9 -6.6 54 54 A K E S+ D 0 87A 145 33,-1.2 33,-2.2 2,-0.0 -1,-0.4 -0.902 109.0 14.1-155.7 137.8 9.6 10.3 -10.0 55 55 A G S S- 0 0 34 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.482 76.8 -76.4 102.1-168.6 8.4 11.2 -13.5 56 56 A S + 0 0 63 29,-0.3 27,-2.6 -2,-0.2 28,-0.7 -0.977 33.6 179.7-139.0 146.1 5.7 13.3 -15.0 57 57 A V E -E 82 0B 32 -2,-0.3 2,-0.6 25,-0.3 23,-0.1 -0.948 26.7-135.4-134.9 161.7 1.9 13.2 -15.5 58 58 A N E +E 81 0B 82 23,-2.7 23,-2.7 -2,-0.3 3,-0.1 -0.976 35.7 157.3-114.3 109.8 -0.8 15.3 -17.0 59 59 A Q > + 0 0 20 -2,-0.6 3,-2.6 21,-0.2 21,-0.1 -0.189 16.8 141.7-118.1 35.5 -3.7 15.2 -14.4 60 60 A S T 3 + 0 0 92 1,-0.3 -1,-0.1 3,-0.1 20,-0.1 0.667 60.3 68.3 -63.1 -18.2 -5.3 18.4 -15.5 61 61 A D T 3 S+ 0 0 89 18,-0.5 -1,-0.3 -3,-0.1 19,-0.1 0.674 75.1 114.2 -69.3 -12.9 -8.9 17.1 -15.0 62 62 A Q < + 0 0 38 -3,-2.6 -18,-0.2 17,-0.2 -19,-0.1 -0.292 36.7 172.5 -62.1 135.5 -8.2 17.0 -11.3 63 63 A S + 0 0 89 -20,-3.3 -1,-0.1 -18,-0.1 -19,-0.1 0.108 63.5 63.3-129.1 22.4 -10.4 19.5 -9.4 64 64 A F S S+ 0 0 107 -21,-0.4 2,-0.4 -19,-0.2 -20,-0.1 0.588 77.8 80.7-124.4 -21.6 -9.6 18.7 -5.8 65 65 A L - 0 0 14 9,-0.1 2,-0.1 -20,-0.1 11,-0.0 -0.826 65.5-139.9-102.6 136.5 -5.9 19.3 -5.0 66 66 A D > - 0 0 85 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.218 33.5 -92.3 -87.1 173.3 -4.6 22.8 -4.2 67 67 A E H > S+ 0 0 177 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.901 125.1 49.7 -59.4 -39.5 -1.4 24.4 -5.3 68 68 A D H > S+ 0 0 83 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.940 112.3 47.9 -62.8 -45.2 0.5 23.3 -2.1 69 69 A Q H 4>S+ 0 0 18 1,-0.2 5,-2.0 2,-0.2 3,-0.5 0.922 112.3 48.5 -62.1 -42.9 -0.7 19.7 -2.6 70 70 A I H ><5S+ 0 0 68 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.922 108.1 55.4 -62.4 -41.6 0.3 19.7 -6.3 71 71 A S H 3<5S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.769 103.5 55.9 -62.5 -26.9 3.7 21.2 -5.4 72 72 A K T 3<5S- 0 0 116 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.332 123.6-103.6 -86.0 2.7 4.3 18.2 -3.0 73 73 A G T < 5 + 0 0 17 -3,-2.0 -21,-3.0 1,-0.3 -3,-0.2 0.439 65.6 155.1 94.2 0.6 3.7 15.7 -5.8 74 74 A F E < +C 51 0A 11 -5,-2.0 2,-0.3 -23,-0.2 -1,-0.3 -0.403 16.7 178.9 -70.2 143.7 0.1 14.6 -4.9 75 75 A I E -C 50 0A 4 -25,-2.3 -25,-2.8 -2,-0.1 2,-0.8 -0.955 34.6-123.8-137.3 155.9 -1.9 13.3 -7.8 76 76 A L E > -C 49 0A 0 -2,-0.3 3,-1.7 -27,-0.2 4,-0.3 -0.900 23.6-157.8-100.7 105.0 -5.4 11.9 -8.4 77 77 A T G > S+ 0 0 5 -29,-1.4 -51,-2.1 -2,-0.8 3,-0.7 0.743 84.4 65.9 -59.6 -27.1 -4.6 8.5 -10.0 78 78 A C G 3 S+ 0 0 5 1,-0.2 -1,-0.3 -53,-0.2 -54,-0.1 0.665 114.9 28.7 -69.7 -16.4 -8.1 8.2 -11.6 79 79 A V G < S+ 0 0 5 -3,-1.7 2,-0.6 -20,-0.1 -18,-0.5 0.132 93.5 114.2-129.8 21.5 -7.4 11.2 -13.9 80 80 A A < - 0 0 0 -3,-0.7 -55,-2.5 -4,-0.3 -21,-0.2 -0.822 42.9-166.5-101.1 122.8 -3.6 11.0 -14.3 81 81 A Y E -E 58 0B 72 -23,-2.7 -23,-2.7 -2,-0.6 -57,-0.2 -0.885 23.9-127.1 -98.8 127.1 -2.0 10.3 -17.7 82 82 A P E -E 57 0B 1 0, 0.0 -25,-0.3 0, 0.0 -59,-0.2 -0.499 24.0-177.4 -69.8 149.9 1.7 9.4 -17.5 83 83 A T S S+ 0 0 70 -27,-2.6 2,-0.3 1,-0.1 -26,-0.2 0.229 74.6 8.1-121.8 3.0 4.1 11.4 -19.8 84 84 A S S S- 0 0 33 -28,-0.7 -1,-0.1 -81,-0.0 2,-0.1 -0.935 103.3 -62.8-160.7 173.6 7.2 9.4 -18.7 85 85 A D - 0 0 95 -2,-0.3 2,-0.3 -83,-0.1 -29,-0.3 -0.490 66.6-167.2 -61.4 146.7 8.1 6.4 -16.7 86 86 A C E -b 4 0A 5 -83,-2.4 -81,-2.8 -31,-0.2 2,-0.4 -0.943 31.5-145.0-140.2 156.0 7.0 7.1 -13.1 87 87 A V E -bD 5 54A 27 -33,-2.2 -34,-2.3 -2,-0.3 -33,-1.2 -1.000 28.6-175.4-118.6 125.0 7.2 6.0 -9.5 88 88 A I E -bD 6 52A 0 -83,-2.9 -81,-2.4 -2,-0.4 2,-0.4 -0.986 21.1-143.2-126.4 124.1 4.0 6.6 -7.6 89 89 A Q E -bD 7 51A 59 -38,-3.0 -38,-2.2 -2,-0.4 3,-0.3 -0.738 28.9-146.3 -80.4 130.1 3.3 6.1 -3.9 90 90 A T + 0 0 3 -83,-2.1 -40,-0.2 -2,-0.4 -41,-0.1 -0.437 68.8 32.6 -93.6 169.9 -0.2 4.8 -3.6 91 91 A H > + 0 0 33 -42,-0.2 3,-0.5 -2,-0.1 -41,-0.2 0.877 69.9 149.6 56.6 45.5 -2.8 5.2 -0.9 92 92 A Q G > + 0 0 24 -43,-2.2 3,-1.9 -3,-0.3 4,-0.5 0.456 38.5 95.6 -95.5 3.7 -1.6 8.8 -0.1 93 93 A E G > S+ 0 0 72 -44,-0.6 3,-1.6 -46,-0.3 4,-0.3 0.900 83.6 57.5 -56.5 -41.8 -4.9 10.4 1.0 94 94 A E G < S+ 0 0 120 -3,-0.5 -1,-0.3 1,-0.3 3,-0.2 0.546 100.8 57.8 -64.2 -14.7 -3.8 9.6 4.6 95 95 A A G < S+ 0 0 51 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.504 84.3 82.4 -93.3 -6.5 -0.6 11.7 4.0 96 96 A L < 0 0 28 -3,-1.6 -2,-0.1 -4,-0.5 -1,-0.1 0.852 360.0 360.0 -68.6 -33.2 -2.4 14.9 3.1 97 97 A Y 0 0 230 -4,-0.3 -1,-0.1 -3,-0.2 0, 0.0 -0.946 360.0 360.0-137.3 360.0 -3.1 16.0 6.7