==== 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 3KWE . COMPND 2 MOLECULE: CARBON DIOXIDE CONCENTRATING MECHANISM PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS ELONGATUS; . AUTHOR M.S.KIMBER,S.E.CASTEL,K.L.PENA . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7836.0 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 0 149 0, 0.0 19,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 154.5 -19.6 -7.7 0.3 2 18 A A - 0 0 59 36,-0.2 18,-0.4 1,-0.1 36,-0.1 -0.221 360.0-108.4 -62.0 164.9 -19.2 -11.4 0.6 3 19 A E - 0 0 159 16,-0.1 -1,-0.1 18,-0.1 16,-0.1 -0.688 33.8 -95.6 -97.2 152.8 -15.7 -12.6 1.6 4 20 A P - 0 0 40 0, 0.0 2,-0.7 0, 0.0 19,-0.2 -0.341 26.8-136.2 -61.9 148.9 -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 -0.941 27.1-172.6-105.8 106.7 -13.0 -18.1 -0.6 6 22 A I E -a 24 0A 82 -2,-0.7 19,-0.2 17,-0.2 17,-0.1 -0.907 21.1-127.4-112.3 114.5 -9.2 -18.8 -0.5 7 23 A A > - 0 0 16 17,-2.0 3,-2.0 -2,-0.6 18,-0.1 -0.225 25.7-113.2 -57.9 146.5 -8.2 -22.4 -0.9 8 24 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.785 116.2 45.3 -52.5 -32.1 -5.9 -23.7 1.9 9 25 A T T 3 S+ 0 0 63 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.391 89.3 109.6 -95.4 1.9 -2.9 -24.1 -0.5 10 26 A A < - 0 0 18 -3,-2.0 2,-0.5 17,-0.2 19,-0.2 -0.527 59.3-143.8 -77.4 147.2 -3.4 -20.7 -2.2 11 27 A Y E +l 29 0B 107 17,-3.3 19,-2.8 -2,-0.2 2,-0.5 -0.961 20.0 176.4-112.1 121.0 -0.8 -18.0 -1.6 12 28 A V E -l 30 0B 42 -2,-0.5 19,-0.2 17,-0.2 17,-0.0 -0.964 28.1-131.2-125.5 112.3 -2.1 -14.4 -1.4 13 29 A H > - 0 0 42 17,-2.5 3,-2.0 -2,-0.5 21,-0.1 -0.308 17.7-123.0 -60.2 143.8 0.4 -11.8 -0.6 14 30 A S T 3 S+ 0 0 102 1,-0.3 -1,-0.1 3,-0.1 17,-0.1 0.719 110.6 61.0 -61.6 -21.0 -0.6 -9.4 2.2 15 31 A F T 3 S+ 0 0 153 2,-0.1 18,-0.4 0, 0.0 2,-0.3 0.475 80.6 104.6 -85.8 -2.2 -0.1 -6.4 -0.2 16 32 A S S < S- 0 0 15 -3,-2.0 2,-1.2 14,-0.2 19,-0.2 -0.645 72.0-136.6 -74.1 134.7 -2.7 -7.7 -2.6 17 33 A N E +b 35 0A 82 17,-2.7 19,-3.0 -2,-0.3 2,-0.5 -0.771 35.0 172.3 -92.5 92.8 -6.0 -5.8 -2.4 18 34 A L E +b 36 0A 29 -2,-1.2 2,-0.4 17,-0.2 19,-0.2 -0.927 3.1 168.3-111.1 119.6 -8.4 -8.7 -2.5 19 35 A I E -b 37 0A 62 17,-2.2 19,-2.9 -2,-0.5 -16,-0.1 -0.993 34.6 -6.9-136.8 137.4 -12.1 -7.8 -1.9 20 36 A G E S-b 38 0A 3 -18,-0.4 2,-2.1 -2,-0.4 19,-0.1 -0.277 105.9 -7.6 86.4-164.3 -15.4 -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 -0.491 74.1 151.4 -80.8 77.2 -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,-0.8 -0.964 33.1-153.7-112.0 118.2 -13.4 -14.0 -5.2 23 39 A R E -ac 5 45A 53 21,-2.7 23,-2.7 -2,-0.5 2,-0.5 -0.859 14.2-171.3-104.7 105.6 -13.2 -17.8 -5.4 24 40 A I E -ac 6 46A 3 -19,-3.2 -17,-2.0 -2,-0.8 23,-0.2 -0.885 6.5-154.1-110.7 122.4 -9.5 -18.8 -5.4 25 41 A K > - 0 0 79 21,-2.6 3,-1.3 -2,-0.5 -18,-0.2 -0.010 37.3 -43.6 -94.0-170.6 -8.5 -22.5 -6.0 26 42 A D T 3 S- 0 0 81 1,-0.2 23,-2.6 22,-0.1 24,-0.3 -0.205 115.6 -1.5 -64.6 140.7 -5.6 -24.7 -5.1 27 43 A Y T 3 S+ 0 0 131 21,-0.2 -1,-0.2 1,-0.2 -17,-0.2 0.622 82.9 160.6 61.1 18.0 -2.0 -23.5 -5.4 28 44 A V < - 0 0 1 -3,-1.3 -17,-3.3 18,-0.1 2,-0.5 -0.403 27.8-151.3 -64.0 145.3 -2.9 -20.1 -6.7 29 45 A H E -lm 11 51B 82 21,-2.4 23,-2.5 -19,-0.2 2,-0.6 -0.950 13.1-175.8-124.9 110.7 -0.1 -17.5 -6.4 30 46 A I E -lm 12 52B 0 -19,-2.8 -17,-2.5 -2,-0.5 23,-0.2 -0.934 17.3-146.9-109.9 116.9 -1.2 -13.9 -6.0 31 47 A A > - 0 0 10 21,-2.7 3,-0.6 -2,-0.6 24,-0.1 -0.204 24.0 -91.8 -73.7 164.3 1.7 -11.4 -5.9 32 48 A P T 3 S+ 0 0 38 0, 0.0 23,-0.2 0, 0.0 -1,-0.2 -0.313 108.6 45.1 -63.3 162.2 2.0 -8.1 -4.1 33 49 A G T 3 S+ 0 0 39 -18,-0.4 22,-2.1 1,-0.3 2,-0.3 0.714 87.1 124.7 74.4 22.3 0.9 -5.1 -6.1 34 50 A T < - 0 0 5 -3,-0.6 -17,-2.7 20,-0.2 2,-0.4 -0.795 46.7-155.5-112.5 153.2 -2.2 -6.7 -7.4 35 51 A S E +bd 17 57A 22 21,-1.8 23,-2.8 -2,-0.3 2,-0.4 -0.990 17.6 167.8-130.5 120.6 -5.8 -5.6 -7.1 36 52 A I E +bd 18 58A 0 -19,-3.0 -17,-2.2 -2,-0.4 2,-0.6 -0.838 14.3 167.3-137.5 91.1 -8.6 -8.2 -7.3 37 53 A R E -b 19 0A 67 21,-1.9 2,-0.5 -2,-0.4 3,-0.4 -0.930 26.9-174.9-124.2 111.5 -11.8 -6.5 -6.3 38 54 A A E +b 20 0A 1 -19,-2.9 -17,-0.5 -2,-0.6 -36,-0.2 -0.339 51.8 119.2 -93.6 50.4 -15.3 -8.0 -6.8 39 55 A D S S+ 0 0 52 -2,-0.5 -1,-0.2 -19,-0.1 3,-0.1 0.591 86.3 16.0 -93.5 -12.3 -17.0 -4.9 -5.4 40 56 A E S S+ 0 0 79 1,-0.7 21,-0.2 -3,-0.4 2,-0.1 0.423 131.4 33.2-118.1 -92.1 -18.9 -4.1 -8.6 41 57 A G S S- 0 0 0 19,-2.1 -1,-0.7 -4,-0.2 21,-0.2 -0.442 92.4-142.3 -61.6 140.2 -19.0 -7.1 -10.9 42 58 A T + 0 0 45 20,-0.3 2,-0.1 19,-0.2 -20,-0.1 -0.963 52.2 34.1-163.1 150.8 -19.1 -10.3 -8.8 43 59 A P - 0 0 17 0, 0.0 32,-2.6 0, 0.0 33,-1.2 0.619 57.2-168.9 -83.4 172.9 -18.3 -13.2 -8.4 44 60 A F E -ce 22 76A 1 -23,-2.5 -21,-2.7 31,-0.2 2,-0.4 -0.922 4.7-158.8-116.1 153.0 -14.8 -13.9 -9.6 45 61 A H E -ce 23 77A 14 31,-2.0 33,-2.5 -2,-0.3 2,-0.4 -0.998 6.7-173.7-129.2 134.3 -13.1 -17.3 -10.0 46 62 A I E -ce 24 78A 1 -23,-2.7 -21,-2.6 -2,-0.4 33,-0.2 -0.969 24.9-139.2-127.9 113.4 -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 -0.023 33.6 -63.1 -76.5 173.0 -8.5 -21.6 -11.0 48 64 A S T 3 S+ 0 0 17 1,-0.2 33,-3.0 32,-0.1 -21,-0.2 -0.197 114.4 5.7 -64.4 141.8 -5.9 -23.9 -9.6 49 65 A R T 3 S+ 0 0 144 -23,-2.6 -1,-0.2 1,-0.2 -22,-0.1 0.415 89.2 148.6 68.0 6.4 -2.2 -23.1 -10.1 50 66 A T < - 0 0 0 -3,-1.6 -21,-2.4 -24,-0.3 2,-0.5 -0.410 36.5-147.3 -73.0 142.2 -3.0 -19.7 -11.7 51 67 A N E -mn 29 83B 40 31,-2.4 33,-2.9 -23,-0.2 2,-0.5 -0.951 9.6-166.7-114.1 125.2 -0.4 -16.9 -11.1 52 68 A I E -mn 30 84B 0 -23,-2.5 -21,-2.7 -2,-0.5 33,-0.2 -0.972 23.4-148.8-112.5 114.3 -1.5 -13.3 -10.8 53 69 A Q > - 0 0 23 31,-2.7 3,-1.8 -2,-0.5 34,-0.3 -0.346 26.1 -74.9 -92.9 163.9 1.6 -11.1 -11.1 54 70 A D T 3 S+ 0 0 76 1,-0.2 33,-0.5 32,-0.1 -21,-0.2 -0.262 115.6 28.1 -58.8 132.1 2.6 -7.7 -9.7 55 71 A G T 3 S+ 0 0 28 -22,-2.1 -1,-0.2 1,-0.3 -21,-0.2 0.242 87.5 134.2 100.7 -9.3 0.8 -4.7 -11.3 56 72 A V < - 0 0 1 -3,-1.8 -21,-1.8 28,-0.1 2,-0.4 -0.453 37.5-161.6 -74.5 144.7 -2.3 -6.6 -12.4 57 73 A V E -df 35 89A 57 31,-1.9 33,-2.2 -23,-0.2 2,-0.5 -0.998 5.9-174.7-122.1 130.1 -5.8 -5.3 -11.9 58 74 A I E +df 36 90A 1 -23,-2.8 -21,-1.9 -2,-0.4 2,-0.3 -0.997 24.4 142.3-121.7 120.7 -8.8 -7.6 -12.0 59 75 A H E - f 0 91A 19 31,-1.8 33,-2.8 -2,-0.5 2,-0.3 -0.869 29.2-146.9-146.0 174.1 -12.2 -5.8 -11.8 60 76 A G E - f 0 92A 0 -23,-0.4 -19,-2.1 31,-0.3 2,-0.2 -1.000 20.5-106.0-150.9 154.3 -15.6 -6.1 -13.3 61 77 A L - 0 0 69 31,-1.4 -19,-0.2 -2,-0.3 -21,-0.0 -0.499 31.5-123.4 -72.6 145.4 -18.7 -4.2 -14.5 62 78 A Q S S+ 0 0 111 -21,-0.2 2,-0.4 -2,-0.2 -20,-0.3 0.899 100.7 47.1 -53.3 -44.7 -21.7 -4.3 -12.3 63 79 A Q S S+ 0 0 158 -22,-0.1 -2,-0.1 29,-0.1 -22,-0.1 -0.840 90.8 57.1-103.2 138.2 -23.7 -5.6 -15.3 64 80 A G - 0 0 32 -2,-0.4 2,-0.3 -4,-0.1 -3,-0.1 0.295 52.9-168.5 113.5 124.4 -22.5 -8.4 -17.6 65 81 A R - 0 0 67 28,-0.1 2,-0.3 27,-0.1 10,-0.2 -0.945 13.2-146.3-137.9 158.4 -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 -0.808 31.8-108.3-114.8 160.8 -19.9 -15.0 -18.4 67 83 A I E -R 73 0C 85 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.815 33.7-147.4 -90.8 124.4 -20.8 -18.7 -17.7 68 84 A G > - 0 0 5 4,-3.0 3,-2.0 -2,-0.6 27,-0.0 -0.283 33.2 -95.6 -80.8 175.1 -18.1 -20.5 -15.6 69 85 A D T 3 S+ 0 0 93 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.674 126.2 58.0 -69.3 -15.1 -17.3 -24.1 -16.0 70 86 A D T 3 S- 0 0 79 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.292 118.8-111.0 -91.0 4.7 -19.6 -24.8 -13.0 71 87 A G S < S+ 0 0 49 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.388 79.2 124.7 79.9 -3.4 -22.5 -23.3 -15.0 72 88 A Q - 0 0 117 1,-0.1 -4,-3.0 -5,-0.1 2,-0.3 -0.509 67.0-104.0 -87.7 158.0 -22.7 -20.3 -12.6 73 89 A E E +R 67 0C 122 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.629 41.0 179.4 -78.5 136.9 -22.5 -16.6 -13.7 74 90 A Y E -R 66 0C 3 -8,-2.7 -8,-2.9 -2,-0.3 3,-0.2 -0.978 34.8-147.8-131.7 148.3 -19.2 -14.8 -13.1 75 91 A S S S+ 0 0 0 -32,-2.6 19,-2.0 -2,-0.3 2,-0.4 0.909 99.1 14.3 -71.3 -46.4 -18.0 -11.3 -13.7 76 92 A V E -eg 44 94A 0 -33,-1.2 -31,-2.0 17,-0.2 2,-0.5 -0.995 67.2-176.7-132.8 126.0 -14.5 -12.8 -14.2 77 93 A W E +eg 45 95A 11 17,-2.5 19,-2.7 -2,-0.4 2,-0.5 -0.989 3.7 179.3-119.3 118.5 -13.6 -16.4 -14.7 78 94 A I E -eg 46 96A 0 -33,-2.5 -31,-2.2 -2,-0.5 19,-0.2 -0.990 21.2-143.0-116.9 124.9 -9.9 -17.3 -15.0 79 95 A G > - 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