==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 22-MAR-05 1X0G . COMPND 2 MOLECULE: ISCA; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS ELONGATUS; . AUTHOR K.MORIMOTO,E.YAMASHITA,Y.KONDOU,S.J.LEE,T.TSUKIHARA,M.NAKAI . 427 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 25.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 . 51 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 10.5 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 3 1 1 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 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 PARALLEL BRIDGES PER LADDER . 0 4 3 0 4 0 5 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 2 3 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 67 0, 0.0 66,-2.5 0, 0.0 67,-0.5 0.000 360.0 360.0 360.0 -39.2 -24.5 21.7 57.4 2 2 A V - 0 0 5 65,-0.2 2,-0.3 64,-0.1 67,-0.2 -0.988 360.0-155.7-141.7 144.8 -22.9 24.6 59.2 3 3 A E E -a 69 0A 115 65,-3.0 67,-2.6 -2,-0.4 2,-0.4 -0.938 5.9-160.9-126.3 153.5 -23.8 26.8 62.2 4 4 A L E -a 70 0A 10 -2,-0.3 67,-0.2 65,-0.2 65,-0.0 -0.984 24.5-125.1-122.3 136.6 -23.0 30.2 63.5 5 5 A T >> - 0 0 24 65,-2.7 4,-1.8 -2,-0.4 3,-0.7 -0.514 29.6-113.0 -71.6 145.3 -23.4 31.2 67.1 6 6 A P H 3> S+ 0 0 84 0, 0.0 4,-0.8 0, 0.0 5,-0.1 0.807 120.0 62.2 -46.5 -30.3 -25.6 34.4 67.6 7 7 A A H >> S+ 0 0 49 2,-0.2 4,-1.6 1,-0.2 3,-0.9 0.948 103.4 45.8 -66.1 -45.8 -22.4 35.9 68.8 8 8 A A H <> S+ 0 0 0 -3,-0.7 4,-2.0 62,-0.3 3,-0.2 0.929 106.1 60.2 -60.4 -50.2 -20.7 35.4 65.3 9 9 A I H 3< S+ 0 0 13 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.739 108.0 45.6 -39.1 -37.3 -23.7 36.7 63.4 10 10 A Q H X< S+ 0 0 133 -3,-0.9 3,-0.9 -4,-0.8 -1,-0.2 0.804 105.5 53.8 -99.8 -30.7 -23.4 40.0 65.1 11 11 A E H 3< S+ 0 0 57 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.801 103.7 65.6 -56.7 -30.3 -19.8 40.5 64.8 12 12 A L T 3< S+ 0 0 0 -4,-2.0 2,-0.9 -5,-0.2 -2,-0.3 0.576 75.7 83.1 -74.5 -8.5 -21.0 39.9 61.2 13 13 A E < + 0 0 120 -3,-0.9 -1,-0.1 1,-0.3 3,-0.0 -0.929 59.4 110.2 -94.4 109.2 -22.9 43.1 61.4 14 14 A R + 0 0 106 -2,-0.9 2,-2.5 0, 0.0 -1,-0.3 -0.238 22.3 130.3 155.2 -13.8 -19.6 44.3 60.5 15 15 A L 0 0 102 -3,-0.2 -2,-0.1 1,-0.1 -3,-0.1 -0.568 360.0 360.0 -65.7 59.5 -21.1 45.1 57.2 16 16 A Q 0 0 207 -2,-2.5 -1,-0.1 -3,-0.0 -3,-0.1 -0.140 360.0 360.0 61.2 360.0 -19.2 48.3 58.3 17 ! 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 18 27 A I 0 0 84 0, 0.0 20,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 133.0 -24.6 36.2 53.0 19 28 A L E -Cd 37 55B 1 35,-3.2 37,-4.2 18,-0.2 2,-0.7 -0.844 360.0-153.3-119.6 141.0 -21.2 34.4 54.0 20 29 A R E -Cd 36 56B 19 16,-2.9 16,-2.2 -2,-0.4 2,-0.5 -0.904 7.6-170.6-127.0 112.2 -18.8 32.2 52.2 21 30 A I E +Cd 35 57B 0 35,-2.2 37,-2.0 -2,-0.7 2,-0.2 -0.874 22.2 142.6 -99.5 129.6 -16.7 29.8 53.9 22 31 A Q E -C 34 0B 40 12,-1.7 12,-2.9 -2,-0.5 2,-0.3 -0.842 37.1-118.8-144.8-175.1 -13.9 28.0 52.0 23 32 A V E -C 33 0B 10 10,-0.2 10,-0.2 -2,-0.2 8,-0.0 -0.912 15.8-164.4-126.7 158.0 -10.3 26.8 52.8 24 33 A Q E -C 32 0B 23 8,-2.7 8,-2.8 -2,-0.3 336,-0.1 -0.994 36.8 -92.1-138.5 155.8 -6.9 27.5 51.7 25 34 A P E -C 31 0B 16 0, 0.0 398,-2.7 0, 0.0 2,-0.3 -0.348 52.8-170.0 -58.1 144.7 -3.6 25.8 52.1 26 35 A S B -h 423 0C 2 4,-1.8 334,-0.2 396,-0.3 398,-0.2 -0.915 35.9-126.9-141.8 156.9 -1.8 27.1 55.1 27 36 A E S S+ 0 0 7 396,-2.5 331,-0.3 -2,-0.3 2,-0.2 0.967 101.5 58.3 -64.9 -60.9 1.5 27.0 57.0 28 37 A C S S- 0 0 29 395,-0.3 70,-0.2 2,-0.0 -2,-0.1 -0.548 128.4 -26.6 -60.2 131.3 0.1 26.0 60.4 29 38 A G S S- 0 0 15 68,-0.2 70,-0.2 -2,-0.2 329,-0.2 -0.084 95.5 -71.1 65.7-153.4 -1.7 22.8 59.7 30 39 A D S S+ 0 0 2 68,-3.3 330,-2.2 1,-0.4 -4,-1.8 0.764 107.7 29.9-109.6 -41.8 -3.1 22.0 56.3 31 40 A W E -CE 25 98B 2 67,-2.4 67,-2.9 -6,-0.3 2,-0.4 -0.960 56.4-161.4-128.8 138.7 -6.0 24.3 55.7 32 41 A R E -CE 24 97B 6 -8,-2.8 -8,-2.7 -2,-0.4 65,-0.2 -0.971 32.7-111.2-116.6 134.9 -6.9 27.7 57.0 33 42 A Y E -C 23 0B 0 63,-1.7 2,-0.4 -2,-0.4 -10,-0.2 -0.288 26.8-154.8 -58.6 141.5 -10.5 28.9 56.8 34 43 A D E -C 22 0B 33 -12,-2.9 -12,-1.7 2,-0.0 2,-0.5 -0.994 11.8-166.1-121.4 127.1 -11.1 31.7 54.3 35 44 A L E +C 21 0B 4 -2,-0.4 154,-0.6 -14,-0.2 2,-0.4 -0.954 10.5 171.6-123.4 122.9 -14.1 33.9 55.1 36 45 A A E -C 20 0B 39 -16,-2.2 -16,-2.9 -2,-0.5 2,-0.5 -0.961 31.0-135.6-130.2 151.9 -15.7 36.4 52.8 37 46 A L E -C 19 0B 58 -2,-0.4 2,-0.4 -18,-0.2 -18,-0.2 -0.873 41.3-170.3 -91.4 126.5 -18.8 38.5 52.8 38 47 A V - 0 0 46 -20,-2.5 -2,-0.0 -2,-0.5 0, 0.0 -0.950 41.1-144.5-134.2 151.2 -20.3 38.1 49.4 39 48 A A S S+ 0 0 116 -2,-0.4 -1,-0.1 1,-0.2 -20,-0.1 0.805 94.2 12.0 -70.0 -29.6 -23.0 39.6 47.1 40 49 A E S S- 0 0 149 -22,-0.1 2,-0.2 -3,-0.1 -1,-0.2 -1.000 73.8-118.5-153.6 146.6 -23.6 36.1 45.7 41 50 A P - 0 0 34 0, 0.0 -21,-0.0 0, 0.0 6,-0.0 -0.617 45.0 -99.6 -76.2 140.6 -22.8 32.4 46.3 42 51 A K > - 0 0 36 -2,-0.2 3,-1.6 1,-0.1 349,-0.0 -0.250 43.8-110.2 -45.6 145.7 -20.9 30.5 43.6 43 52 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 348,-0.1 0.843 116.2 47.2 -61.8 -24.3 -23.7 28.7 41.9 44 53 A T T 3 S+ 0 0 45 346,-0.1 15,-0.1 2,-0.1 347,-0.1 0.177 83.5 123.6-101.2 10.1 -22.5 25.3 43.3 45 54 A D < - 0 0 14 -3,-1.6 2,-0.8 13,-0.1 13,-0.2 -0.383 66.8-116.3 -63.4 153.0 -22.0 26.3 47.0 46 55 A L E -F 57 0B 88 11,-4.0 11,-2.2 -2,-0.1 2,-0.2 -0.839 38.9-154.2 -95.5 108.7 -23.8 24.4 49.7 47 56 A L E -F 56 0B 87 -2,-0.8 2,-0.4 9,-0.2 9,-0.2 -0.528 17.8-178.2 -91.8 142.0 -26.2 26.9 51.4 48 57 A T E -F 55 0B 35 7,-1.5 7,-2.1 -2,-0.2 2,-0.2 -0.991 16.1-148.0-135.9 135.8 -27.6 27.0 54.9 49 58 A Q + 0 0 112 -2,-0.4 5,-0.2 5,-0.2 0, 0.0 -0.495 30.3 153.0 -76.1 158.6 -30.1 29.5 56.4 50 59 A S S S- 0 0 34 3,-0.5 -46,-0.1 -2,-0.2 -2,-0.0 0.010 74.1 -2.3 169.2 88.2 -29.6 30.2 60.2 51 60 A Q S S- 0 0 109 1,-0.1 3,-0.1 -42,-0.0 -2,-0.0 0.865 127.5 -61.9 80.5 52.3 -30.7 33.5 61.8 52 61 A G S S+ 0 0 73 1,-0.2 2,-0.4 0, 0.0 -1,-0.1 0.643 111.2 117.0 46.6 26.1 -31.8 34.9 58.4 53 62 A W - 0 0 21 -35,-0.0 -3,-0.5 -5,-0.0 2,-0.5 -0.914 60.9-133.3-112.9 145.0 -28.2 34.7 57.0 54 63 A T - 0 0 28 -2,-0.4 -35,-3.2 -5,-0.2 2,-0.5 -0.855 16.2-155.7 -96.9 140.0 -27.2 32.5 54.1 55 64 A I E -dF 19 48B 0 -7,-2.1 -7,-1.5 -2,-0.5 2,-0.8 -0.959 2.0-157.4-117.3 120.7 -24.0 30.5 54.5 56 65 A A E -dF 20 47B 0 -37,-4.2 -35,-2.2 -2,-0.5 2,-0.6 -0.836 7.5-171.8-105.9 102.3 -22.2 29.4 51.4 57 66 A I E -dF 21 46B 0 -11,-2.2 -11,-4.0 -2,-0.8 2,-0.2 -0.823 29.9-118.0 -92.3 125.4 -20.0 26.4 51.8 58 67 A A >> - 0 0 0 -37,-2.0 3,-1.4 -2,-0.6 4,-0.8 -0.455 17.7-134.6 -66.2 132.1 -17.7 25.7 48.8 59 68 A A G >4 S+ 0 0 19 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.861 102.5 57.1 -62.6 -38.5 -18.5 22.4 47.3 60 69 A E G 34 S+ 0 0 19 331,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.812 113.1 44.2 -63.6 -22.5 -15.0 21.2 46.9 61 70 A A G X> S+ 0 0 0 -3,-1.4 4,-1.4 1,-0.2 3,-1.4 0.514 77.6 105.7-103.8 -4.9 -14.6 21.7 50.7 62 71 A A H XX S+ 0 0 14 -3,-0.8 4,-2.6 -4,-0.8 3,-1.5 0.874 81.9 52.6 -37.6 -56.4 -17.9 20.1 51.8 63 72 A E H 34 S+ 0 0 100 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.844 112.0 44.7 -51.1 -42.7 -15.9 17.1 53.0 64 73 A L H <4 S+ 0 0 4 -3,-1.4 -1,-0.3 -4,-0.2 23,-0.3 0.653 125.6 31.3 -79.0 -14.3 -13.6 19.3 55.0 65 74 A L H X< S+ 0 0 0 -3,-1.5 3,-2.1 -4,-1.4 -2,-0.2 0.541 72.7 128.6-124.1 -11.5 -16.5 21.5 56.5 66 75 A R T 3< S+ 0 0 142 -4,-2.6 21,-0.2 1,-0.3 -64,-0.1 -0.318 86.3 19.5 -55.0 122.7 -19.7 19.4 56.9 67 76 A G T 3 S+ 0 0 34 -66,-2.5 -1,-0.3 1,-0.2 -65,-0.2 0.487 90.0 163.9 101.8 8.6 -20.8 20.0 60.4 68 77 A L < - 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