==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 18-FEB-99 2CUA . COMPND 2 MOLECULE: PROTEIN (CUA); . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR P.A.WILLIAMS,N.J.BLACKBURN,D.SANDERS,H.BELLAMY,E.A.STURA, . 254 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13755.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 26.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 . 2 0.8 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 . 48 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 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 RESIDUES PER ALPHA HELIX . 2 0 0 2 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 PARALLEL BRIDGES PER LADDER . 2 2 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 47 A A 0 0 163 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -53.8 30.8 -2.6 -3.8 2 48 A G - 0 0 52 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.881 360.0 -72.7-113.3-102.9 28.7 -1.7 -5.6 3 49 A K S S+ 0 0 116 1,-0.4 2,-0.3 2,-0.0 85,-0.0 0.458 94.7 42.1 -90.7 -74.3 26.3 1.0 -7.7 4 50 A L + 0 0 34 1,-0.2 -1,-0.4 81,-0.0 3,-0.1 -0.555 59.0 136.0 -72.0 131.5 23.8 3.0 -5.7 5 51 A E + 0 0 122 1,-0.5 81,-2.5 -2,-0.3 2,-0.4 0.493 63.4 33.8-136.6 -54.7 25.0 4.3 -2.3 6 52 A R B +A 85 0A 174 79,-0.2 -1,-0.5 2,-0.0 2,-0.3 -0.871 61.3 167.0-110.2 140.9 23.9 7.9 -1.8 7 53 A V - 0 0 19 77,-1.8 79,-0.0 -2,-0.4 -3,-0.0 -0.952 40.1-104.1-145.6 163.3 20.6 9.5 -2.9 8 54 A D >> - 0 0 54 -2,-0.3 4,-1.7 1,-0.1 3,-0.7 -0.829 22.5-160.0 -94.6 110.8 18.7 12.7 -2.2 9 55 A P T 34 S+ 0 0 45 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.743 87.9 57.8 -62.3 -25.5 15.7 12.0 0.1 10 56 A T T 34 S+ 0 0 104 1,-0.2 3,-0.2 2,-0.1 -2,-0.0 0.770 118.3 28.2 -80.2 -26.0 14.0 15.2 -0.9 11 57 A T T X> S+ 0 0 39 -3,-0.7 3,-2.8 1,-0.1 4,-2.8 0.568 87.2 103.7-111.8 -5.5 13.9 14.5 -4.6 12 58 A V T 3< S+ 0 0 6 -4,-1.7 6,-0.2 1,-0.3 -1,-0.1 0.731 83.4 52.0 -44.2 -30.1 13.8 10.7 -4.6 13 59 A R T 34 S+ 0 0 125 -4,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.581 121.3 27.8 -88.7 -8.9 10.1 10.7 -5.4 14 60 A Q T <4 S+ 0 0 118 -3,-2.8 2,-0.4 1,-0.3 -2,-0.2 0.642 119.3 42.7-128.2 -17.7 10.3 13.0 -8.4 15 61 A E S < S+ 0 0 126 -4,-2.8 -1,-0.3 4,-0.0 3,-0.3 -0.994 96.8 11.5-131.5 131.9 13.7 12.6 -9.9 16 62 A G S >> S- 0 0 51 -2,-0.4 3,-2.2 1,-0.2 4,-0.6 -0.485 103.3 -32.0 105.7-176.3 15.6 9.4 -10.6 17 63 A P T 34 S+ 0 0 58 0, 0.0 19,-0.2 0, 0.0 -1,-0.2 0.652 133.0 45.2 -61.8 -24.4 15.1 5.6 -10.6 18 64 A W T 34 S+ 0 0 7 -3,-0.3 -2,-0.1 -6,-0.2 20,-0.1 0.440 93.3 82.0 -93.4 -4.6 12.5 5.6 -7.8 19 65 A A T <4 S+ 0 0 25 -3,-2.2 -1,-0.1 1,-0.2 5,-0.1 0.906 90.6 46.9 -75.3 -37.2 10.5 8.5 -9.1 20 66 A D >< - 0 0 67 -4,-0.6 3,-2.2 1,-0.1 -1,-0.2 -0.847 66.6-167.6-107.5 104.7 8.4 6.5 -11.6 21 67 A P G > S+ 0 0 55 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.683 84.4 68.0 -64.6 -19.1 7.1 3.3 -10.0 22 68 A A G 3 S+ 0 0 92 1,-0.3 3,-0.3 2,-0.1 -2,-0.0 0.795 103.9 46.9 -65.4 -23.8 6.1 1.9 -13.4 23 69 A Q G < S+ 0 0 125 -3,-2.2 -1,-0.3 1,-0.2 13,-0.1 0.082 76.3 114.5-105.2 25.5 9.8 1.6 -14.1 24 70 A A < + 0 0 4 -3,-1.4 12,-2.7 1,-0.1 2,-0.6 0.855 67.0 62.4 -69.5 -33.7 10.8 0.1 -10.8 25 71 A V E +B 35 0B 54 -3,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.847 66.3 174.7 -98.6 119.4 11.9 -3.2 -12.3 26 72 A V E -B 34 0B 57 8,-3.0 8,-3.6 -2,-0.6 2,-0.4 -0.982 31.3-128.0-122.9 121.9 14.8 -2.8 -14.7 27 73 A Q E +B 33 0B 112 -2,-0.4 6,-0.3 6,-0.2 -2,-0.0 -0.595 32.0 170.7 -72.5 128.3 16.6 -5.7 -16.4 28 74 A T E + 0 0 63 4,-1.9 5,-0.2 -2,-0.4 -1,-0.2 0.275 61.3 15.9-122.3 5.0 20.3 -5.1 -15.7 29 75 A G E > S-B 32 0B 18 3,-1.4 3,-1.8 1,-0.1 -1,-0.2 -0.971 90.3 -86.9-168.7 166.2 21.8 -8.4 -16.9 30 76 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.850 131.0 11.0 -53.5 -33.6 20.9 -11.5 -19.1 31 77 A N T 3 S+ 0 0 98 -3,-0.0 25,-2.5 24,-0.0 2,-0.4 -0.205 115.8 93.4-134.0 45.7 19.3 -13.1 -16.0 32 78 A Q E < -Bc 29 56B 47 -3,-1.8 -4,-1.9 23,-0.2 -3,-1.4 -0.997 46.4-169.6-145.7 135.0 19.2 -10.2 -13.6 33 79 A Y E -Bc 27 57B 63 23,-2.5 25,-3.1 -2,-0.4 2,-0.5 -0.983 12.8-148.2-124.9 135.4 16.7 -7.5 -12.6 34 80 A T E -Bc 26 58B 5 -8,-3.6 -8,-3.0 -2,-0.4 2,-0.5 -0.872 14.2-160.7 -98.9 137.0 17.2 -4.5 -10.5 35 81 A V E -Bc 25 59B 0 23,-2.8 25,-2.9 -2,-0.5 2,-0.8 -0.965 7.7-149.9-120.9 116.7 14.2 -3.5 -8.5 36 82 A Y E - c 0 60B 40 -12,-2.7 2,-0.5 -2,-0.5 25,-0.2 -0.778 22.8-173.0 -85.3 110.3 14.0 0.1 -7.2 37 83 A V E - c 0 61B 0 23,-2.5 25,-1.8 -2,-0.8 2,-0.6 -0.915 15.3-156.5-109.7 130.6 12.0 -0.1 -4.0 38 84 A L E -Dc 45 62B 0 7,-2.7 7,-2.1 -2,-0.5 2,-0.6 -0.946 4.9-163.1-103.3 121.4 10.8 2.9 -1.9 39 85 A A E +D 44 0B 0 23,-2.6 26,-0.4 -2,-0.6 2,-0.3 -0.933 28.7 153.4 -98.1 120.0 10.1 2.1 1.7 40 86 A F E > -D 43 0B 48 3,-2.3 3,-2.8 -2,-0.6 2,-0.9 -0.851 49.6 -46.6-139.7 173.6 8.0 5.0 3.1 41 87 A A T 3 S- 0 0 40 1,-0.3 70,-0.1 -2,-0.3 3,-0.0 -0.762 124.8 -3.9 -89.3 113.9 5.4 5.5 5.9 42 88 A F T 3 S+ 0 0 90 -2,-0.9 -1,-0.3 68,-0.1 73,-0.3 -0.083 122.4 5.8-132.5 91.2 3.6 3.2 5.6 43 89 A G E < -D 40 0B 8 -3,-2.8 -3,-2.3 71,-0.2 2,-0.4 -0.994 63.3 -87.3 170.8-171.1 4.2 0.9 2.7 44 90 A Y E -D 39 0B 8 71,-0.4 -5,-0.2 -2,-0.3 73,-0.1 -0.962 35.3-114.3-133.7 145.8 6.4 -0.2 -0.2 45 91 A Q E S+D 38 0B 36 -7,-2.1 -7,-2.7 -2,-0.4 2,-0.2 -1.000 93.7 31.3-127.7 133.1 6.6 0.9 -3.8 46 92 A P S S- 0 0 22 0, 0.0 71,-0.2 0, 0.0 3,-0.2 0.623 86.3-146.5 -79.3 171.6 6.1 -0.8 -6.1 47 93 A N S S+ 0 0 85 1,-0.4 71,-0.1 -2,-0.2 2,-0.1 -0.863 84.1 25.4-145.1 111.3 3.4 -3.1 -4.7 48 94 A P S S- 0 0 50 0, 0.0 2,-0.6 0, 0.0 -1,-0.4 0.430 81.1-152.6 -84.6 160.9 3.4 -5.8 -5.8 49 95 A I E -f 118 0C 0 68,-3.0 70,-3.4 -3,-0.2 2,-0.5 -0.834 17.6-158.4 -85.9 125.5 7.0 -6.3 -6.9 50 96 A E E +f 119 0C 102 -2,-0.6 70,-0.2 68,-0.2 68,-0.0 -0.932 21.0 158.6-113.7 122.1 6.8 -8.9 -9.7 51 97 A V E -f 120 0C 1 68,-2.6 70,-2.7 -2,-0.5 2,-0.2 -0.966 37.8-109.5-139.4 156.3 9.9 -10.9 -10.6 52 98 A P E > -f 121 0C 43 0, 0.0 3,-1.2 0, 0.0 41,-0.3 -0.536 37.5-107.8 -83.0 147.9 10.6 -14.2 -12.4 53 99 A Q T 3 S+ 0 0 56 68,-1.3 41,-0.2 1,-0.2 3,-0.1 -0.470 101.1 25.7 -71.5 145.0 11.9 -17.2 -10.5 54 100 A G T 3 S+ 0 0 30 39,-2.7 2,-0.3 1,-0.3 -1,-0.2 0.223 92.3 115.7 90.3 -12.8 15.6 -18.1 -11.1 55 101 A A S < S- 0 0 0 -3,-1.2 38,-0.6 38,-0.2 2,-0.4 -0.675 73.6-112.3 -87.3 142.0 16.7 -14.6 -12.0 56 102 A E E -cE 32 92B 67 -25,-2.5 -23,-2.5 -2,-0.3 2,-0.5 -0.610 34.2-155.0 -70.9 126.1 19.1 -12.7 -9.7 57 103 A I E -cE 33 91B 0 34,-2.7 34,-2.9 -2,-0.4 2,-0.7 -0.904 8.4-162.1-108.3 127.8 17.2 -9.8 -8.2 58 104 A V E -cE 34 90B 1 -25,-3.1 -23,-2.8 -2,-0.5 2,-0.4 -0.910 12.0-157.5-111.2 102.2 19.1 -6.8 -7.1 59 105 A F E -cE 35 89B 0 30,-3.2 30,-1.9 -2,-0.7 2,-0.5 -0.696 6.7-167.7 -82.5 131.8 16.9 -4.8 -4.7 60 106 A K E -cE 36 88B 1 -25,-2.9 -23,-2.5 -2,-0.4 2,-0.4 -0.962 16.8-177.4-121.7 107.2 17.8 -1.1 -4.3 61 107 A I E +cE 37 87B 0 26,-3.0 26,-3.4 -2,-0.5 2,-0.3 -0.900 12.2 154.5-122.5 132.5 15.9 0.3 -1.4 62 108 A T E -c 38 0B 0 -25,-1.8 -23,-2.6 -2,-0.4 24,-0.1 -0.921 29.6-126.7-143.8 171.3 15.7 3.7 0.1 63 109 A S B -j 83 0D 0 19,-0.9 21,-0.8 22,-0.4 22,-0.2 -0.964 5.4-162.2-123.3 141.0 13.4 5.9 2.2 64 110 A P S S+ 0 0 24 0, 0.0 -24,-0.1 0, 0.0 -1,-0.1 0.397 90.3 15.7 -93.2 0.0 11.9 9.4 1.5 65 111 A D S S- 0 0 52 1,-0.5 2,-0.2 -26,-0.4 -2,-0.1 0.367 117.2 -10.2-135.6 -90.6 11.0 9.9 5.2 66 112 A V S S- 0 0 16 1,-0.1 -1,-0.5 41,-0.1 2,-0.1 -0.585 80.6 -67.5-115.0 176.8 12.3 7.9 8.1 67 113 A I + 0 0 37 70,-0.2 2,-0.3 -2,-0.2 15,-0.2 -0.379 56.3 175.4 -58.4 134.7 14.2 4.7 8.8 68 114 A H E -G 81 0C 0 13,-2.9 13,-3.7 -2,-0.1 2,-0.3 -0.804 25.3-122.0-129.2 177.3 12.4 1.5 7.8 69 115 A G E -G 80 0C 0 36,-0.3 2,-0.4 -2,-0.3 11,-0.2 -0.890 10.3-157.6-117.9 150.0 13.1 -2.2 7.6 70 116 A F E +G 79 0C 0 9,-2.9 9,-2.5 -2,-0.3 2,-0.5 -0.870 25.1 160.5-130.4 99.7 12.9 -4.4 4.5 71 117 A H E -GH 78 102C 44 31,-2.0 31,-2.8 -2,-0.4 2,-0.7 -0.968 28.1-150.0-122.8 125.4 12.4 -8.0 5.5 72 118 A V E > - H 0 101C 0 5,-1.8 3,-1.4 -2,-0.5 5,-0.5 -0.867 27.3-121.2 -98.0 120.5 11.0 -10.6 3.1 73 119 A E T 3 S+ 0 0 94 27,-3.2 27,-0.3 -2,-0.7 3,-0.1 -0.421 94.4 21.6 -60.4 126.1 9.1 -13.3 5.0 74 120 A G T 3 S+ 0 0 69 1,-0.4 2,-0.3 -2,-0.2 -1,-0.2 0.365 114.6 76.8 97.9 8.1 10.5 -16.8 4.5 75 121 A T S < S- 0 0 20 -3,-1.4 -1,-0.4 2,-0.2 -3,-0.0 -0.830 88.1-108.4-137.6 173.8 13.9 -15.6 3.4 76 122 A N S S+ 0 0 130 -2,-0.3 2,-0.8 -3,-0.1 -3,-0.1 0.171 74.3 125.4 -88.3 13.9 17.2 -14.2 4.8 77 123 A I + 0 0 5 -5,-0.5 -5,-1.8 12,-0.0 2,-0.3 -0.656 26.9 145.8 -80.1 114.1 16.4 -10.8 3.3 78 124 A N E +G 71 0C 89 -2,-0.8 2,-0.4 -7,-0.2 -7,-0.2 -0.774 15.0 155.7-149.9 95.1 16.7 -8.5 6.2 79 125 A V E -G 70 0C 29 -9,-2.5 -9,-2.9 -2,-0.3 2,-0.3 -0.958 39.4-121.8-135.6 153.2 17.9 -4.9 5.7 80 126 A E E -G 69 0C 113 -2,-0.4 2,-0.6 -11,-0.2 -11,-0.2 -0.659 24.0-150.2 -80.6 135.2 17.8 -1.5 7.3 81 127 A V E -G 68 0C 0 -13,-3.7 -13,-2.9 -2,-0.3 -19,-0.1 -0.960 15.9-171.8-116.2 112.3 16.4 1.3 5.0 82 128 A L > - 0 0 53 -2,-0.6 3,-1.8 -21,-0.3 -19,-0.9 -0.767 29.1-109.1-105.1 141.8 17.8 4.7 5.8 83 129 A P B 3 S+j 63 0D 44 0, 0.0 3,-0.1 0, 0.0 -16,-0.1 -0.453 106.6 17.4 -62.9 137.8 16.7 8.0 4.3 84 130 A G T 3 S+ 0 0 13 -21,-0.8 -77,-1.8 1,-0.2 2,-0.3 0.441 113.2 91.7 84.1 -3.3 19.4 9.3 1.9 85 131 A E B < -A 6 0A 92 -3,-1.8 2,-0.5 -79,-0.2 -22,-0.4 -0.901 69.1-134.4-125.7 151.1 21.0 6.0 1.6 86 132 A V - 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