==== 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 3KWC . COMPND 2 MOLECULE: CARBON DIOXIDE CONCENTRATING MECHANISM PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS ELONGATUS; . AUTHOR M.S.KIMBER,S.E.CASTEL,K.L.PENA . 1228 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 987 80.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 403 32.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 3.3 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 . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 6 0.5 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 . 139 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 14.4 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 6 0 0 0 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 1 5 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 66 24 11 1 6 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 . 11 6 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 . 6 0 0 0 0 6 0 0 0 0 0 6 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 4 A Q 0 0 99 0, 0.0 30,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 53.0 -2.1 1.7 9.3 2 5 A S E -a 31 0A 52 28,-0.2 2,-0.3 15,-0.0 30,-0.2 -0.929 360.0-175.2-111.0 135.8 -2.0 5.4 10.3 3 6 A Y E -a 32 0A 103 28,-2.2 30,-2.2 -2,-0.4 2,-0.2 -0.912 25.3-109.0-135.2 153.8 -4.9 7.7 9.4 4 7 A A - 0 0 35 -2,-0.3 12,-0.2 28,-0.2 11,-0.2 -0.476 43.5 -99.1 -74.2 152.1 -5.9 11.3 9.6 5 8 A A - 0 0 7 10,-2.4 -1,-0.1 -2,-0.2 47,-0.1 -0.365 44.1-111.4 -62.8 149.3 -8.6 12.5 12.0 6 9 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 594,-0.2 -0.543 31.8-100.0 -80.6 153.1 -12.0 12.9 10.4 7 10 A P + 0 0 14 0, 0.0 5,-0.2 0, 0.0 595,-0.2 -0.607 55.4 159.6 -71.9 133.9 -13.6 16.4 10.0 8 11 A T B > -M 11 0B 9 3,-2.8 3,-0.7 -2,-0.3 588,-0.1 -0.824 58.2 -87.5-143.3 171.2 -16.2 17.0 12.7 9 12 A P T 3 S+ 0 0 117 0, 0.0 3,-0.1 0, 0.0 586,-0.0 0.712 130.5 39.2 -57.8 -21.1 -18.0 20.0 14.3 10 13 A W T 3 S+ 0 0 65 1,-0.2 2,-0.3 43,-0.0 43,-0.0 0.443 120.1 41.8-107.9 -5.9 -15.0 20.3 16.8 11 14 A S B < +M 8 0B 21 -3,-0.7 -3,-2.8 1,-0.1 -1,-0.2 -0.995 37.7 154.7-148.4 141.6 -12.1 19.5 14.3 12 15 A R + 0 0 157 -2,-0.3 604,-0.1 -5,-0.2 -1,-0.1 0.260 57.4 92.3-141.1 9.1 -11.0 20.4 10.8 13 16 A D S S- 0 0 82 -7,-0.1 -8,-0.0 603,-0.0 -2,-0.0 0.572 73.8-144.9 -90.1 -7.6 -7.2 20.0 10.7 14 17 A L - 0 0 20 -8,-0.1 19,-0.1 1,-0.1 -10,-0.0 0.851 29.5-164.1 46.8 47.9 -7.3 16.3 9.6 15 18 A A - 0 0 17 -11,-0.2 -10,-2.4 -9,-0.1 18,-0.4 -0.219 9.8-155.7 -70.3 146.8 -4.2 15.6 11.7 16 19 A E - 0 0 129 -12,-0.2 -12,-0.2 16,-0.1 16,-0.1 -0.880 31.0 -83.9-119.9 154.1 -2.1 12.5 11.3 17 20 A P - 0 0 20 0, 0.0 2,-0.6 0, 0.0 19,-0.2 -0.210 30.0-144.0 -54.9 140.4 0.3 10.7 13.8 18 21 A E E -b 36 0A 119 17,-2.0 19,-2.6 2,-0.0 2,-0.5 -0.949 23.5-171.1-104.1 107.2 3.8 12.0 14.2 19 22 A I E -b 37 0A 68 -2,-0.6 19,-0.1 17,-0.2 20,-0.1 -0.891 22.1-126.3-109.0 121.6 6.0 8.9 14.7 20 23 A A > - 0 0 17 17,-2.0 3,-2.2 -2,-0.5 21,-0.1 -0.367 20.7-126.7 -60.3 136.5 9.6 9.1 15.7 21 24 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.733 110.3 58.5 -58.5 -22.4 11.8 7.1 13.3 22 25 A T T 3 S+ 0 0 35 2,-0.0 2,-0.2 168,-0.0 168,-0.1 0.438 90.0 92.5 -85.6 -5.0 13.3 5.3 16.3 23 26 A A < - 0 0 10 -3,-2.2 2,-0.4 17,-0.2 19,-0.2 -0.503 66.8-144.8 -80.8 157.4 9.9 4.0 17.4 24 27 A Y E -n 42 0C 26 17,-2.7 19,-2.5 -2,-0.2 2,-0.5 -0.966 13.6-173.5-127.7 120.9 8.5 0.6 16.3 25 28 A V E -n 43 0C 39 -2,-0.4 19,-0.2 17,-0.2 4,-0.1 -0.941 25.4-124.1-111.7 123.2 4.8 0.1 15.6 26 29 A H - 0 0 9 17,-2.8 20,-0.1 -2,-0.5 21,-0.1 -0.362 16.4-126.4 -66.1 138.8 3.5 -3.4 14.9 27 30 A S S S+ 0 0 82 1,-0.2 2,-1.9 -2,-0.1 -1,-0.1 0.874 101.4 69.7 -48.6 -45.1 1.6 -3.9 11.5 28 31 A F S S+ 0 0 11 2,-0.0 18,-3.6 411,-0.0 19,-0.4 -0.516 88.0 81.9 -82.5 73.8 -1.5 -5.4 13.3 29 32 A S - 0 0 4 -2,-1.9 2,-0.4 16,-0.2 19,-0.2 -0.954 68.3-125.6-163.0 167.7 -2.6 -2.2 15.0 30 33 A N E - c 0 48A 2 17,-2.5 19,-2.3 -2,-0.3 2,-0.4 -0.979 19.0-177.8-135.1 126.8 -4.7 1.0 14.3 31 34 A L E +ac 2 49A 3 -30,-2.0 -28,-2.2 -2,-0.4 2,-0.4 -0.984 6.9 177.8-124.9 126.1 -3.6 4.7 14.8 32 35 A I E -ac 3 50A 2 17,-2.2 19,-2.7 -2,-0.4 -28,-0.2 -0.992 40.5 -17.3-131.5 130.9 -5.9 7.7 14.1 33 36 A G E S- c 0 51A 0 -30,-2.2 2,-2.0 -2,-0.4 19,-0.1 -0.303 106.5 -3.4 90.1-161.5 -5.4 11.5 14.4 34 37 A D S S+ 0 0 18 17,-0.7 23,-2.3 -17,-0.1 2,-0.6 -0.460 73.1 153.7 -76.9 73.6 -3.0 13.8 16.3 35 38 A V E - d 0 57A 0 -2,-2.0 -17,-2.0 21,-0.2 2,-0.8 -0.929 29.1-158.7-107.0 114.7 -0.9 11.2 18.2 36 39 A R E -bd 18 58A 53 21,-2.4 23,-2.5 -2,-0.6 2,-0.6 -0.833 10.0-172.4-104.1 103.6 2.6 12.4 19.0 37 40 A I E -bd 19 59A 4 -19,-2.6 -17,-2.0 -2,-0.8 23,-0.2 -0.880 8.8-155.7-107.2 115.3 4.9 9.4 19.5 38 41 A K > - 0 0 80 21,-2.3 3,-0.8 -2,-0.6 -18,-0.2 0.030 37.0 -44.8 -87.5-172.2 8.4 10.2 20.8 39 42 A D T 3 S+ 0 0 74 1,-0.2 23,-2.3 22,-0.1 24,-0.3 -0.181 115.2 4.4 -62.1 142.0 11.8 8.3 20.6 40 43 A Y T 3 S+ 0 0 96 21,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.803 82.7 157.1 58.4 38.0 12.1 4.6 21.3 41 44 A V < - 0 0 0 -3,-0.8 -17,-2.7 21,-0.2 2,-0.5 -0.774 29.6-152.6 -90.9 138.3 8.4 3.8 21.8 42 45 A H E -no 24 64C 2 21,-1.5 23,-3.0 -2,-0.4 2,-0.5 -0.961 9.1-171.8-113.2 118.3 7.1 0.2 21.3 43 46 A I E -no 25 65C 0 -19,-2.5 -17,-2.8 -2,-0.5 23,-0.2 -0.955 17.2-151.3-114.9 112.5 3.5 -0.2 20.1 44 47 A A > - 0 0 0 21,-3.0 3,-1.1 -2,-0.5 24,-0.2 -0.186 26.7 -72.0 -86.7 167.6 2.4 -3.9 20.2 45 48 A P T 3 S+ 0 0 0 0, 0.0 23,-1.1 0, 0.0 -16,-0.2 -0.255 110.4 27.7 -62.1 143.9 -0.2 -5.9 18.1 46 49 A G T 3 S+ 0 0 19 -18,-3.6 -17,-0.2 1,-0.3 2,-0.1 0.308 84.9 142.4 94.0 -5.5 -4.0 -5.4 18.7 47 50 A T < - 0 0 0 -3,-1.1 -17,-2.5 -19,-0.4 2,-0.4 -0.385 33.9-164.5 -75.6 140.4 -3.7 -1.8 19.9 48 51 A S E +ce 30 70A 2 21,-2.7 23,-2.2 -19,-0.2 2,-0.5 -0.945 10.3 174.6-124.3 113.2 -6.2 0.9 19.0 49 52 A I E +ce 31 71A 0 -19,-2.3 -17,-2.2 -2,-0.4 2,-0.5 -0.978 10.4 179.2-118.1 115.7 -5.2 4.6 19.6 50 53 A R E +c 32 0A 1 21,-2.5 2,-0.5 -2,-0.5 3,-0.4 -0.930 19.0 177.5-135.3 102.2 -7.8 6.9 18.3 51 54 A A E +c 33 0A 1 -19,-2.7 -17,-0.7 -2,-0.5 -46,-0.1 -0.466 49.9 110.6-102.5 56.2 -7.5 10.7 18.5 52 55 A D S S+ 0 0 3 -2,-0.5 -1,-0.2 -19,-0.1 3,-0.1 0.599 85.3 26.2-103.2 -18.7 -10.8 11.6 16.7 53 56 A E S S+ 0 0 16 1,-0.6 21,-0.2 -3,-0.4 2,-0.2 0.636 129.6 24.6-105.5 -94.6 -12.8 13.0 19.7 54 57 A G S S- 0 0 0 19,-2.0 -1,-0.6 -4,-0.2 21,-0.2 -0.514 93.4-142.4 -64.3 142.2 -10.5 14.3 22.4 55 58 A T + 0 0 28 20,-0.2 2,-0.1 -2,-0.2 -20,-0.1 -0.955 51.9 37.5-165.0 151.4 -7.1 15.4 20.9 56 59 A P - 0 0 18 0, 0.0 32,-2.2 0, 0.0 33,-1.3 0.652 53.8-167.7 -84.5 171.0 -4.1 15.6 21.0 57 60 A F E -df 35 89A 1 -23,-2.3 -21,-2.4 31,-0.2 2,-0.4 -0.940 3.4-160.2-113.9 147.4 -2.4 12.5 22.6 58 61 A H E -df 36 90A 13 31,-2.0 33,-2.7 -2,-0.4 2,-0.5 -0.998 5.8-171.0-130.0 129.2 1.3 12.5 23.7 59 62 A I E -df 37 91A 1 -23,-2.5 -21,-2.3 -2,-0.4 33,-0.2 -0.988 25.3-134.1-120.6 120.0 3.3 9.3 24.3 60 63 A G > - 0 0 0 31,-1.2 3,-1.1 32,-0.8 33,-0.1 -0.051 29.1 -71.9 -79.5 171.7 6.7 9.9 25.9 61 64 A S T 3 S+ 0 0 25 1,-0.2 33,-2.4 32,-0.1 -21,-0.2 -0.337 113.3 11.4 -66.5 138.2 10.2 8.6 25.1 62 65 A R T 3 S+ 0 0 91 -23,-2.3 2,-0.3 1,-0.2 -1,-0.2 0.713 93.8 141.7 66.7 27.0 11.1 5.0 26.1 63 66 A T < - 0 0 1 -3,-1.1 -21,-1.5 -24,-0.3 2,-0.4 -0.769 38.8-149.9 -98.8 140.1 7.4 4.2 26.7 64 67 A N E -op 42 96C 1 31,-2.4 33,-2.4 -2,-0.3 2,-0.5 -0.885 9.1-165.6-110.6 142.4 5.8 0.9 25.8 65 68 A I E -op 43 97C 1 -23,-3.0 -21,-3.0 -2,-0.4 33,-0.2 -0.973 25.4-154.8-123.1 112.1 2.1 0.2 24.8 66 69 A Q > - 0 0 7 31,-2.9 3,-1.2 -2,-0.5 32,-0.1 0.041 32.0 -46.5 -92.4-170.3 1.4 -3.5 24.9 67 70 A D T 3 S+ 0 0 0 1,-0.2 33,-2.7 32,-0.1 -21,-0.2 -0.242 116.6 4.0 -68.3 140.0 -1.1 -5.9 23.2 68 71 A G T 3 S+ 0 0 24 -23,-1.1 -1,-0.2 1,-0.2 -22,-0.1 0.568 86.2 155.7 70.2 11.0 -4.8 -5.1 23.0 69 72 A V < - 0 0 0 -3,-1.2 -21,-2.7 -24,-0.2 2,-0.4 -0.400 26.4-158.1 -69.3 144.0 -4.4 -1.6 24.6 70 73 A V E -eg 48 102A 4 31,-1.8 33,-1.9 -23,-0.2 2,-0.4 -0.983 9.8-176.3-121.0 137.5 -7.0 1.1 23.8 71 74 A I E +eg 49 103A 1 -23,-2.2 -21,-2.5 -2,-0.4 2,-0.3 -0.984 19.9 143.8-132.0 123.5 -6.5 4.9 24.1 72 75 A H E - g 0 104A 4 31,-1.4 33,-2.6 -2,-0.4 2,-0.3 -0.854 27.4-145.7-142.9 175.9 -9.4 7.3 23.4 73 76 A G E - g 0 105A 0 -23,-0.3 -19,-2.0 -2,-0.3 2,-0.2 -0.996 20.5-105.8-151.8 147.9 -10.5 10.7 24.9 74 77 A L - 0 0 57 31,-1.5 -19,-0.2 -2,-0.3 -21,-0.0 -0.469 31.7-125.8 -65.6 141.4 -13.6 12.7 25.7 75 78 A Q S S+ 0 0 40 -21,-0.2 2,-0.4 -2,-0.2 -20,-0.2 0.885 98.4 49.3 -57.1 -45.8 -14.3 15.7 23.4 76 79 A Q S S+ 0 0 144 -22,-0.1 -2,-0.1 2,-0.0 -22,-0.1 -0.824 92.0 56.0 -95.2 136.1 -14.4 18.1 26.3 77 80 A G - 0 0 33 -2,-0.4 2,-0.3 -4,-0.1 46,-0.1 0.245 51.6-168.4 113.3 128.8 -11.7 18.1 29.0 78 81 A R - 0 0 77 28,-0.1 2,-0.3 27,-0.1 10,-0.2 -0.947 13.6-143.2-142.1 155.5 -7.9 18.5 28.9 79 82 A V E -T 87 0D 26 8,-2.8 8,-2.4 -2,-0.3 2,-0.6 -0.841 31.9-109.7-113.6 158.9 -4.8 18.1 31.1 80 83 A I E -T 86 0D 105 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.797 33.4-144.7 -90.9 120.2 -1.7 20.4 31.0 81 84 A G > - 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