==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE, PROTEIN BINDING, PHOTOSYNTHESIS 01-DEC-09 3KWD . COMPND 2 MOLECULE: CARBON DIOXIDE CONCENTRATING MECHANISM PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS ELONGATUS; . AUTHOR K.L.PENA,M.S.KIMBER,S.E.CASTEL . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 81.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 38.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 3.0 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 . 1 0.6 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 0.6 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 . 23 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 6.0 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+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 0 0 0 0 1 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 10 4 2 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 0 0 0 0 1 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 17 A L 0 0 147 0, 0.0 19,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 152.5 -19.6 -7.8 0.3 2 18 A A - 0 0 58 36,-0.2 18,-0.4 1,-0.1 36,-0.1 -0.229 360.0-106.6 -60.4 163.2 -19.2 -11.6 0.5 3 19 A E - 0 0 161 16,-0.1 -1,-0.1 18,-0.1 16,-0.1 -0.678 33.5 -97.1 -94.9 151.4 -15.7 -12.8 1.6 4 20 A P - 0 0 38 0, 0.0 2,-0.7 0, 0.0 19,-0.2 -0.327 27.1-136.2 -60.9 147.9 -13.1 -14.3 -0.6 5 21 A E E -a 23 0A 107 17,-2.3 19,-3.2 2,-0.0 2,-0.6 -0.942 26.1-172.0-105.5 107.0 -12.9 -18.1 -0.6 6 22 A I E -a 24 0A 83 -2,-0.7 19,-0.1 17,-0.2 17,-0.1 -0.908 20.8-128.4-110.6 113.5 -9.2 -18.9 -0.5 7 23 A A > - 0 0 16 17,-2.0 3,-1.9 -2,-0.6 18,-0.1 -0.238 25.5-113.4 -58.6 146.5 -8.2 -22.5 -0.9 8 24 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.798 116.1 44.8 -51.3 -34.1 -5.9 -23.8 1.8 9 25 A T T 3 S+ 0 0 62 2,-0.1 2,-0.1 0, 0.0 -2,-0.1 0.416 89.6 108.9 -95.6 0.3 -2.9 -24.2 -0.6 10 26 A A < - 0 0 18 -3,-1.9 2,-0.5 17,-0.2 19,-0.2 -0.486 59.7-144.0 -72.9 147.8 -3.4 -20.8 -2.3 11 27 A Y E +l 29 0B 104 17,-3.1 19,-2.7 -2,-0.1 2,-0.5 -0.975 19.4 177.4-113.2 122.8 -0.8 -18.1 -1.6 12 28 A V E -l 30 0B 39 -2,-0.5 19,-0.2 17,-0.2 17,-0.0 -0.965 28.3-130.2-126.3 112.8 -2.1 -14.5 -1.4 13 29 A H > - 0 0 40 17,-2.5 3,-1.7 -2,-0.5 21,-0.1 -0.308 19.6-122.0 -60.2 142.8 0.5 -11.9 -0.6 14 30 A S T 3 S+ 0 0 104 1,-0.3 -1,-0.1 3,-0.1 17,-0.1 0.753 110.4 60.4 -59.8 -23.4 -0.6 -9.6 2.2 15 31 A F T 3 S+ 0 0 149 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.693 79.1 108.3 -78.1 -17.2 -0.2 -6.5 -0.1 16 32 A S S < S- 0 0 14 -3,-1.7 2,-1.2 14,-0.2 19,-0.2 -0.380 70.8-135.8 -61.1 131.4 -2.8 -7.8 -2.6 17 33 A N E +b 35 0A 81 17,-2.6 19,-3.0 -2,-0.1 2,-0.5 -0.764 39.4 167.6 -89.4 91.9 -6.0 -5.8 -2.4 18 34 A L E +b 36 0A 28 -2,-1.2 2,-0.3 17,-0.2 19,-0.2 -0.938 2.5 156.5-113.5 119.3 -8.4 -8.8 -2.5 19 35 A I E +b 37 0A 59 17,-2.0 19,-2.9 -2,-0.5 -16,-0.1 -0.993 34.0 10.7-148.2 153.0 -12.1 -8.2 -1.7 20 36 A G E S-b 38 0A 3 -18,-0.4 2,-2.1 -2,-0.3 19,-0.1 -0.271 106.5 -14.0 84.0-164.4 -15.5 -9.6 -2.3 21 37 A D S S+ 0 0 26 17,-0.5 23,-2.5 -17,-0.1 2,-0.5 -0.479 75.4 151.5 -81.5 76.5 -16.6 -12.9 -3.7 22 38 A V E - c 0 44A 0 -2,-2.1 -17,-2.3 21,-0.2 2,-0.7 -0.960 32.4-154.7-110.9 118.4 -13.4 -14.1 -5.2 23 39 A R E -ac 5 45A 54 21,-2.7 23,-2.7 -2,-0.5 2,-0.5 -0.867 13.3-170.7-106.3 106.0 -13.1 -17.9 -5.4 24 40 A I E -ac 6 46A 3 -19,-3.2 -17,-2.0 -2,-0.7 23,-0.2 -0.896 6.6-153.1-111.1 122.6 -9.5 -18.9 -5.4 25 41 A K > - 0 0 78 21,-2.7 3,-1.3 -2,-0.5 -18,-0.2 0.016 37.3 -44.5 -93.5-170.3 -8.6 -22.5 -6.1 26 42 A D T 3 S- 0 0 82 1,-0.2 23,-2.5 22,-0.1 24,-0.3 -0.225 115.6 -1.4 -66.0 139.9 -5.6 -24.8 -5.2 27 43 A Y T 3 S+ 0 0 131 21,-0.2 -1,-0.2 1,-0.2 -17,-0.2 0.617 83.2 160.6 62.5 18.0 -2.0 -23.6 -5.4 28 44 A V < - 0 0 1 -3,-1.3 -17,-3.1 18,-0.1 2,-0.5 -0.379 27.8-151.3 -64.1 146.3 -2.9 -20.2 -6.8 29 45 A H E -lm 11 51B 83 21,-2.5 23,-2.6 -19,-0.2 2,-0.6 -0.951 12.8-175.4-125.1 111.7 -0.1 -17.6 -6.4 30 46 A I E -lm 12 52B 0 -19,-2.7 -17,-2.5 -2,-0.5 -14,-0.2 -0.940 17.5-146.7-110.2 117.5 -1.2 -14.0 -6.1 31 47 A A > - 0 0 10 21,-2.7 3,-0.6 -2,-0.6 24,-0.1 -0.189 24.0 -91.4 -73.8 165.0 1.7 -11.5 -6.0 32 48 A P T 3 S+ 0 0 36 0, 0.0 23,-0.2 0, 0.0 -1,-0.2 -0.310 108.6 45.6 -63.1 163.0 2.1 -8.3 -4.1 33 49 A G T 3 S+ 0 0 40 1,-0.3 22,-2.0 21,-0.2 2,-0.3 0.717 86.5 126.3 74.7 22.8 1.0 -5.2 -6.1 34 50 A T < - 0 0 7 -3,-0.6 -17,-2.6 20,-0.2 2,-0.4 -0.799 46.0-155.8-112.0 153.7 -2.2 -6.8 -7.3 35 51 A S E +bd 17 57A 22 21,-1.8 23,-2.8 -2,-0.3 2,-0.3 -0.990 18.3 166.5-130.8 119.3 -5.8 -5.6 -7.1 36 52 A I E +bd 18 58A 0 -19,-3.0 -17,-2.0 -2,-0.4 2,-0.6 -0.807 13.8 165.9-138.1 87.1 -8.6 -8.2 -7.3 37 53 A R E -b 19 0A 65 21,-1.6 2,-0.5 -2,-0.3 3,-0.4 -0.926 26.4-174.0-119.6 111.9 -11.8 -6.6 -6.2 38 54 A A E +b 20 0A 0 -19,-2.9 -17,-0.5 -2,-0.6 -36,-0.2 -0.337 52.0 119.4 -93.4 50.7 -15.3 -8.1 -6.7 39 55 A D S S+ 0 0 49 -2,-0.5 -1,-0.2 -19,-0.1 3,-0.1 0.606 85.9 15.8 -93.6 -12.1 -17.0 -5.0 -5.4 40 56 A E S S+ 0 0 81 1,-0.7 21,-0.2 -3,-0.4 2,-0.1 0.426 131.5 33.1-118.8 -92.6 -18.9 -4.2 -8.6 41 57 A G S S- 0 0 0 19,-2.2 -1,-0.7 -4,-0.2 21,-0.2 -0.438 92.6-142.8 -61.1 139.1 -19.0 -7.2 -10.9 42 58 A T + 0 0 43 20,-0.3 2,-0.1 19,-0.2 -20,-0.1 -0.964 51.9 34.4-162.2 150.8 -19.1 -10.4 -8.9 43 59 A P - 0 0 17 0, 0.0 32,-2.5 0, 0.0 33,-1.3 0.616 56.8-168.7 -83.7 173.3 -18.3 -13.3 -8.4 44 60 A F E -ce 22 76A 0 -23,-2.5 -21,-2.7 31,-0.2 2,-0.4 -0.927 4.6-159.3-116.2 151.5 -14.8 -14.0 -9.6 45 61 A H E -ce 23 77A 14 31,-2.1 33,-2.5 -2,-0.3 2,-0.4 -0.998 6.1-173.4-127.9 134.9 -13.1 -17.4 -10.1 46 62 A I E -ce 24 78A 1 -23,-2.7 -21,-2.7 -2,-0.4 33,-0.2 -0.975 24.8-138.6-127.8 113.3 -9.3 -18.0 -10.2 47 63 A G > - 0 0 0 31,-2.2 3,-1.6 32,-0.7 35,-0.1 -0.029 33.3 -64.0 -76.2 173.4 -8.5 -21.6 -11.1 48 64 A S T 3 S+ 0 0 17 1,-0.3 33,-2.9 32,-0.1 -21,-0.2 -0.207 114.3 6.1 -65.0 141.9 -5.9 -23.9 -9.7 49 65 A R T 3 S+ 0 0 142 -23,-2.5 -1,-0.3 1,-0.2 -22,-0.1 0.423 89.4 148.1 68.3 7.3 -2.2 -23.2 -10.1 50 66 A T < - 0 0 0 -3,-1.6 -21,-2.5 -24,-0.3 2,-0.5 -0.424 36.7-147.2 -75.0 142.9 -2.9 -19.8 -11.7 51 67 A N E -mn 29 83B 36 31,-2.3 33,-3.0 -23,-0.2 2,-0.5 -0.952 9.6-166.6-114.1 126.3 -0.4 -17.0 -11.1 52 68 A I E -mn 30 84B 0 -23,-2.6 -21,-2.7 -2,-0.5 33,-0.2 -0.971 23.4-148.7-112.4 113.5 -1.5 -13.3 -10.8 53 69 A Q > - 0 0 23 31,-2.7 3,-1.9 -2,-0.5 34,-0.3 -0.340 26.7 -74.5 -92.3 163.5 1.6 -11.1 -11.1 54 70 A D T 3 S+ 0 0 77 1,-0.2 33,-0.5 32,-0.1 -21,-0.2 -0.253 115.8 27.6 -57.2 129.6 2.6 -7.8 -9.7 55 71 A G T 3 S+ 0 0 28 -22,-2.0 -1,-0.2 1,-0.3 -21,-0.2 0.242 87.1 134.9 102.1 -9.3 0.8 -4.8 -11.3 56 72 A V < - 0 0 1 -3,-1.9 -21,-1.8 28,-0.1 2,-0.4 -0.434 37.4-161.3 -72.5 144.3 -2.3 -6.7 -12.4 57 73 A V E -df 35 89A 57 31,-2.0 33,-2.3 -23,-0.2 2,-0.5 -0.998 6.1-174.8-120.6 129.4 -5.8 -5.4 -11.9 58 74 A I E +df 36 90A 1 -23,-2.8 -21,-1.6 -2,-0.4 2,-0.3 -0.995 24.7 143.6-120.2 118.8 -8.8 -7.7 -12.0 59 75 A H E - f 0 91A 19 31,-1.8 33,-2.9 -2,-0.5 2,-0.3 -0.870 29.0-146.8-143.6 173.7 -12.1 -5.9 -11.8 60 76 A G E - f 0 92A 0 -23,-0.4 -19,-2.2 31,-0.3 2,-0.2 -0.999 20.4-107.1-149.8 152.6 -15.6 -6.2 -13.3 61 77 A L - 0 0 71 31,-1.4 -19,-0.2 -2,-0.3 -21,-0.0 -0.502 31.9-123.0 -70.7 144.4 -18.6 -4.3 -14.5 62 78 A Q S S+ 0 0 115 -2,-0.2 2,-0.4 -21,-0.2 -20,-0.3 0.903 101.0 46.4 -51.2 -46.1 -21.7 -4.4 -12.3 63 79 A Q S S+ 0 0 162 -22,-0.1 -2,-0.1 29,-0.1 -22,-0.1 -0.831 90.7 57.7-103.4 139.6 -23.6 -5.7 -15.3 64 80 A G - 0 0 31 -2,-0.4 2,-0.3 -4,-0.1 -3,-0.1 0.317 52.7-168.9 112.5 124.7 -22.5 -8.5 -17.6 65 81 A R - 0 0 68 28,-0.1 2,-0.3 27,-0.1 10,-0.2 -0.937 13.2-146.1-137.6 158.9 -21.5 -12.0 -16.8 66 82 A V E -R 74 0C 19 8,-2.9 8,-2.7 -2,-0.3 2,-0.6 -0.832 31.9-107.2-116.1 159.6 -19.9 -15.1 -18.4 67 83 A I E -R 73 0C 86 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.792 33.9-147.3 -88.4 124.7 -20.7 -18.7 -17.7 68 84 A G > - 0 0 5 4,-3.1 3,-2.0 -2,-0.6 27,-0.0 -0.279 33.1 -96.2 -80.3 174.7 -18.1 -20.6 -15.7 69 85 A D T 3 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.694 126.5 57.2 -68.0 -17.3 -17.2 -24.2 -16.0 70 86 A D T 3 S- 0 0 80 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.297 119.1-110.9 -90.4 5.4 -19.6 -24.9 -13.1 71 87 A G S < S+ 0 0 49 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.387 79.1 125.1 79.1 -3.5 -22.5 -23.3 -15.0 72 88 A Q - 0 0 118 1,-0.1 -4,-3.1 -5,-0.1 2,-0.3 -0.512 66.7-104.7 -86.0 156.9 -22.7 -20.3 -12.6 73 89 A E E +R 67 0C 123 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.632 40.6 179.9 -78.6 136.6 -22.4 -16.7 -13.7 74 90 A Y E -R 66 0C 3 -8,-2.7 -8,-2.9 -2,-0.3 3,-0.2 -0.980 34.8-147.8-130.6 148.1 -19.2 -14.9 -13.1 75 91 A S S S+ 0 0 0 -32,-2.5 19,-2.0 -2,-0.3 2,-0.4 0.910 99.2 15.1 -70.8 -46.7 -18.0 -11.4 -13.8 76 92 A V E -eg 44 94A 0 -33,-1.3 -31,-2.1 17,-0.2 2,-0.5 -0.993 67.1-176.9-132.0 125.9 -14.5 -12.8 -14.2 77 93 A W E +eg 45 95A 9 17,-2.4 19,-2.8 -2,-0.4 2,-0.5 -0.991 3.9 178.6-118.7 119.4 -13.6 -16.5 -14.8 78 94 A I E -eg 46 96A 0 -33,-2.5 -31,-2.2 -2,-0.5 19,-0.2 -0.992 21.4-143.2-117.9 125.6 -9.9 -17.4 -15.0 79 95 A G > - 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