==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 29-MAR-06 2GIM . COMPND 2 MOLECULE: PLASTOCYANIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA VARIABILIS; . AUTHOR L.SCHMIDT,P.HARRIS,H.E.M.CHRISTENSEN . 212 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 20.8 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 . 2 0.9 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 . 31 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 2 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 2 0 2 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 5 0 0 2 2 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 4 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 M 0 0 172 0, 0.0 2,-0.3 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 138.3 -11.9 8.5 -11.2 2 1 A E - 0 0 112 23,-0.1 27,-3.0 2,-0.0 2,-0.5 -0.882 360.0-138.5-128.0 154.4 -9.4 7.1 -8.7 3 2 A T E -a 29 0A 92 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.956 18.7-169.8-112.7 126.5 -5.7 7.0 -8.1 4 3 A Y E -a 30 0A 79 25,-3.1 27,-3.1 -2,-0.5 2,-0.4 -0.969 11.8-142.6-115.8 139.9 -4.0 3.9 -7.1 5 4 A T E -a 31 0A 58 -2,-0.4 2,-0.5 25,-0.2 27,-0.2 -0.768 12.0-171.1-108.9 134.4 -0.4 3.7 -5.9 6 5 A V E -a 32 0A 0 25,-2.8 27,-2.4 -2,-0.4 2,-0.3 -0.994 19.2-139.0-123.1 119.1 2.0 0.9 -6.6 7 6 A K E -aB 33 18A 49 11,-3.4 11,-2.3 -2,-0.5 2,-0.9 -0.640 8.9-137.3 -77.1 137.5 5.3 1.0 -4.8 8 7 A L E S+aB 34 17A 0 25,-3.2 27,-2.2 -2,-0.3 28,-1.2 -0.849 89.7 12.6 -96.8 105.6 8.4 0.1 -6.8 9 8 A G S S- 0 0 0 7,-2.4 27,-0.3 -2,-0.9 6,-0.2 0.393 100.8-101.2 88.7 125.0 10.2 -2.1 -4.4 10 9 A S > - 0 0 8 4,-2.1 3,-2.6 25,-0.1 -2,-0.0 -0.349 29.5-106.0 -73.4 162.3 8.1 -3.2 -1.4 11 10 A D T 3 S+ 0 0 10 1,-0.3 -1,-0.1 2,-0.1 100,-0.0 0.816 123.7 56.2 -55.2 -30.4 8.4 -1.6 2.1 12 11 A K T 3 S- 0 0 104 24,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.365 123.1-106.5 -81.8 3.3 10.3 -4.7 3.1 13 12 A G < + 0 0 32 -3,-2.6 2,-0.3 1,-0.3 -2,-0.1 0.742 68.0 147.8 80.3 24.4 12.8 -4.3 0.3 14 13 A L - 0 0 103 1,-0.1 -4,-2.1 2,-0.0 2,-2.1 -0.663 59.3-112.3 -91.8 151.7 11.7 -7.1 -2.0 15 14 A L S S+ 0 0 49 -2,-0.3 2,-0.3 -6,-0.2 -1,-0.1 -0.548 80.9 102.5 -80.6 74.0 12.0 -6.7 -5.7 16 15 A V S S- 0 0 50 -2,-2.1 -7,-2.4 82,-0.1 2,-0.4 -0.942 77.5-103.0-143.5 168.9 8.3 -6.5 -6.4 17 16 A F E -B 8 0A 2 82,-0.4 -9,-0.2 -2,-0.3 -7,-0.1 -0.800 45.0-118.3 -89.3 139.1 5.6 -4.1 -7.1 18 17 A E E S+B 7 0A 61 -11,-2.3 -11,-3.4 -2,-0.4 2,-0.1 -0.941 105.8 18.8-123.0 107.0 3.5 -3.4 -4.0 19 18 A P S S- 0 0 43 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.648 81.9-166.1 -81.5 165.3 0.8 -4.3 -4.7 20 19 A A S S+ 0 0 47 1,-0.2 81,-2.2 -2,-0.1 2,-0.4 0.483 73.8 38.6 -96.6 -8.8 1.5 -6.6 -7.7 21 20 A K E +d 101 0B 134 79,-0.2 2,-0.3 -4,-0.0 81,-0.2 -0.995 64.7 165.5-139.7 138.6 -2.1 -6.9 -8.8 22 21 A L E -d 102 0B 17 79,-1.8 81,-2.5 -2,-0.4 2,-0.4 -0.984 25.0-142.4-148.3 152.7 -4.8 -4.2 -8.9 23 22 A T E +d 103 0B 88 -2,-0.3 2,-0.3 79,-0.2 81,-0.2 -0.955 32.0 160.4-116.8 131.1 -8.2 -3.8 -10.6 24 23 A I E -d 104 0B 3 79,-2.7 81,-2.5 -2,-0.4 3,-0.0 -0.816 34.7-109.0-137.5 177.1 -9.2 -0.4 -11.8 25 24 A K > - 0 0 113 -2,-0.3 3,-2.0 79,-0.2 52,-0.2 -0.774 45.8 -88.3-106.0 158.2 -11.6 1.3 -14.2 26 25 A P T 3 S+ 0 0 43 0, 0.0 53,-0.2 0, 0.0 3,-0.1 -0.388 118.6 35.3 -57.0 147.6 -10.7 2.9 -17.5 27 26 A G T 3 S+ 0 0 15 50,-0.8 52,-0.1 51,-0.6 2,-0.1 0.292 92.6 122.4 85.7 -9.4 -9.9 6.5 -16.7 28 27 A D < - 0 0 2 -3,-2.0 49,-2.6 50,-0.2 2,-0.4 -0.472 57.3-128.0 -81.6 166.1 -8.3 5.6 -13.5 29 28 A T E -aC 3 76A 24 -27,-3.0 -25,-3.1 47,-0.2 2,-0.5 -0.929 10.9-159.7-119.0 137.7 -4.6 6.4 -12.6 30 29 A V E -aC 4 75A 0 45,-2.2 45,-2.7 -2,-0.4 2,-0.5 -0.977 12.8-157.0-110.8 119.0 -1.9 4.2 -11.4 31 30 A E E -aC 5 74A 47 -27,-3.1 -25,-2.8 -2,-0.5 2,-0.6 -0.887 2.6-154.3 -95.9 126.4 0.9 6.1 -9.7 32 31 A F E -aC 6 73A 0 41,-3.4 41,-2.4 -2,-0.5 2,-0.5 -0.926 13.5-165.2-104.4 123.1 4.2 4.2 -9.7 33 32 A L E -aC 7 72A 48 -27,-2.4 -25,-3.2 -2,-0.6 2,-0.3 -0.928 22.5-125.8-119.7 119.6 6.4 5.4 -6.8 34 33 A N E +a 8 0A 14 37,-3.3 36,-0.3 -2,-0.5 -25,-0.1 -0.518 48.7 151.6 -61.5 125.3 10.1 4.7 -6.4 35 34 A N - 0 0 54 -27,-2.2 2,-0.3 1,-0.4 -26,-0.2 0.616 47.8 -3.1-127.2 -78.0 10.4 3.1 -3.0 36 35 A K S S+ 0 0 52 -28,-1.2 -1,-0.4 -27,-0.3 -24,-0.1 -0.895 106.0 14.9-128.2 162.1 13.1 0.6 -2.2 37 36 A V S S- 0 0 55 -2,-0.3 -1,-0.2 -28,-0.1 -27,-0.1 0.924 89.4-112.5 49.1 70.8 16.0 -1.1 -4.0 38 37 A P S S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 -0.085 75.4 59.1 -66.3 166.8 16.6 0.8 -7.2 39 38 A P + 0 0 41 0, 0.0 2,-0.4 0, 0.0 54,-0.2 0.526 58.9 157.3-106.1 151.7 16.6 1.0 -10.1 40 39 A H + 0 0 0 26,-0.5 26,-2.6 52,-0.1 2,-0.2 -0.939 13.3 174.3-125.8 152.3 13.1 0.4 -11.4 41 40 A N - 0 0 1 -2,-0.4 2,-0.3 24,-0.2 22,-0.2 -0.750 27.8-124.7-133.8-171.4 11.1 1.2 -14.4 42 41 A V B +G 62 0C 0 20,-2.2 20,-3.1 -2,-0.2 2,-0.5 -0.814 28.0 175.5-142.0 102.7 7.6 0.2 -15.6 43 42 A V E -E 89 0B 5 46,-3.2 46,-2.7 -2,-0.3 2,-0.3 -0.903 20.8-144.1-115.5 118.3 7.2 -1.5 -19.0 44 43 A F E -E 88 0B 6 -2,-0.5 44,-0.3 13,-0.5 2,-0.2 -0.645 30.3-107.5 -76.4 140.4 3.8 -2.7 -20.1 45 44 A D - 0 0 26 42,-3.3 42,-0.2 -2,-0.3 8,-0.1 -0.486 19.8-142.8 -71.8 136.4 4.0 -6.0 -22.2 46 45 A A S S+ 0 0 43 -2,-0.2 11,-0.2 1,-0.2 3,-0.2 0.700 97.7 29.5 -72.5 -20.7 3.3 -5.4 -25.9 47 46 A A S S+ 0 0 50 1,-0.1 2,-1.8 7,-0.1 -1,-0.2 0.743 105.5 72.8-108.8 -32.7 1.4 -8.5 -26.4 48 47 A L S S+ 0 0 87 39,-0.1 39,-2.1 4,-0.1 -3,-0.3 -0.351 76.8 91.5 -89.2 55.3 -0.2 -9.1 -23.0 49 48 A N S > S- 0 0 5 -2,-1.8 3,-2.1 37,-0.2 37,-0.2 -0.952 91.2-101.5-137.2 163.4 -2.8 -6.5 -23.0 50 49 A P T 3 S+ 0 0 51 0, 0.0 33,-0.1 0, 0.0 36,-0.1 0.776 121.9 41.5 -62.3 -27.8 -6.3 -6.9 -24.2 51 50 A A T 3 S- 0 0 60 2,-0.1 3,-0.1 31,-0.1 -3,-0.1 0.481 100.0-132.6 -87.2 -8.1 -5.8 -5.3 -27.6 52 51 A K < + 0 0 146 -3,-2.1 2,-0.6 1,-0.2 -4,-0.1 0.863 54.7 156.7 52.4 37.3 -2.4 -7.0 -28.0 53 52 A S > - 0 0 35 1,-0.1 4,-2.3 -8,-0.1 -1,-0.2 -0.837 43.1-162.8-102.2 117.6 -1.3 -3.5 -29.0 54 53 A A H > S+ 0 0 39 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.839 95.1 54.9 -63.9 -29.8 2.3 -2.5 -28.8 55 54 A D H > S+ 0 0 121 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.890 106.5 49.2 -73.3 -39.6 1.2 1.2 -29.0 56 55 A L H > S+ 0 0 25 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.974 113.2 47.9 -60.1 -51.9 -1.2 0.9 -26.1 57 56 A A H >X S+ 0 0 2 -4,-2.3 4,-0.9 1,-0.2 3,-0.7 0.917 112.1 48.7 -56.5 -47.5 1.5 -0.7 -24.1 58 57 A K H >< S+ 0 0 114 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.938 107.6 56.1 -55.8 -45.6 4.0 2.0 -25.0 59 58 A S H 3< S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.780 111.8 42.1 -60.8 -24.8 1.5 4.7 -24.1 60 59 A L H << S+ 0 0 3 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.533 101.2 92.9 -96.1 -9.7 1.1 3.3 -20.5 61 60 A S << - 0 0 23 -3,-1.1 2,-0.4 -4,-0.9 -18,-0.2 -0.385 57.7-154.3 -91.9 158.6 4.8 2.6 -19.9 62 61 A H B +G 42 0C 43 -20,-3.1 -20,-2.2 -2,-0.1 4,-0.1 -0.854 17.3 176.6-126.5 93.3 7.7 4.5 -18.3 63 62 A K + 0 0 93 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.1 0.773 52.8 91.1 -72.3 -27.8 10.8 3.1 -19.9 64 63 A Q S S- 0 0 142 -22,-0.1 -22,-0.2 1,-0.1 2,-0.1 -0.518 85.9-114.1 -70.6 130.2 13.2 5.5 -18.2 65 64 A L - 0 0 59 -2,-0.3 2,-0.9 -24,-0.1 -24,-0.2 -0.399 27.9-116.6 -58.2 136.3 14.5 4.2 -14.9 66 65 A L + 0 0 1 -26,-2.6 -26,-0.5 1,-0.1 -1,-0.1 -0.715 39.0 177.6 -76.4 107.1 13.4 6.3 -11.9 67 66 A M + 0 0 139 -2,-0.9 -1,-0.1 -28,-0.1 -2,-0.1 0.272 48.8 74.6-104.0 7.9 16.7 7.7 -10.6 68 67 A S S > S- 0 0 65 4,-0.0 3,-2.1 0, 0.0 -34,-0.1 -0.960 90.9 -95.5-121.1 146.8 15.7 9.9 -7.8 69 68 A P T 3 S+ 0 0 129 0, 0.0 -34,-0.1 0, 0.0 -2,-0.1 -0.340 108.6 0.6 -58.8 130.9 14.6 8.9 -4.3 70 69 A G T 3 S+ 0 0 49 -36,-0.3 -35,-0.1 1,-0.2 -3,-0.1 0.589 88.5 166.5 62.9 14.3 10.8 8.8 -4.2 71 70 A Q < - 0 0 52 -3,-2.1 -37,-3.3 -38,-0.1 2,-0.3 -0.388 20.8-151.6 -57.0 141.8 10.4 9.8 -7.8 72 71 A S E +C 33 0A 60 -39,-0.2 2,-0.3 -2,-0.0 -39,-0.2 -0.876 20.3 175.5-117.6 144.1 6.9 9.3 -9.0 73 72 A T E -C 32 0A 24 -41,-2.4 -41,-3.4 -2,-0.3 2,-0.3 -0.932 13.3-158.5-136.1 162.2 5.4 8.5 -12.4 74 73 A S E -C 31 0A 66 -2,-0.3 2,-0.5 -43,-0.3 -43,-0.2 -0.981 13.7-151.1-144.5 152.0 1.8 7.8 -13.3 75 74 A T E -C 30 0A 11 -45,-2.7 -45,-2.2 -2,-0.3 2,-0.7 -0.970 10.3-160.4-121.4 110.8 -0.2 6.2 -16.0 76 75 A T E -C 29 0A 87 -2,-0.5 -47,-0.2 -47,-0.2 -48,-0.1 -0.846 24.4-131.0 -90.3 115.2 -3.7 7.5 -16.6 77 76 A F - 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