==== 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 13-JUN-99 1QRE . COMPND 2 MOLECULE: CARBONIC ANHYDRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA THERMOPHILA; . AUTHOR T.M.IVERSON,B.E.ALBER,C.KISKER,J.G.FERRY,D.C.REES . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9984.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 31.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.8 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 0.5 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 . 26 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 9.0 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 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 11 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 . 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 T 0 0 188 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.9 46.0 77.8 50.6 2 5 A V - 0 0 118 1,-0.1 2,-0.7 0, 0.0 0, 0.0 -0.060 360.0-107.6 -53.7 148.4 42.3 77.9 49.7 3 6 A D - 0 0 124 2,-0.0 2,-0.5 0, 0.0 -1,-0.1 -0.745 39.5-172.5 -81.9 111.7 40.6 74.6 49.0 4 7 A E + 0 0 91 -2,-0.7 2,-0.3 -3,-0.1 0, 0.0 -0.958 20.9 135.3-113.2 125.7 39.9 74.4 45.2 5 8 A F - 0 0 140 -2,-0.5 2,-0.5 0, 0.0 -2,-0.0 -0.982 52.1-108.8-158.5 169.5 37.8 71.5 43.9 6 9 A S - 0 0 66 -2,-0.3 -2,-0.0 1,-0.1 30,-0.0 -0.929 18.1-159.0-107.5 131.4 35.1 70.3 41.6 7 10 A N S S+ 0 0 34 -2,-0.5 30,-2.6 1,-0.1 2,-0.6 0.574 84.3 60.5 -85.5 -12.3 31.9 69.1 43.5 8 11 A I E S+a 37 0A 61 28,-0.2 2,-0.3 30,-0.1 30,-0.2 -0.985 81.8 154.9-115.3 107.1 30.7 66.9 40.5 9 12 A R E -a 38 0A 130 28,-2.3 30,-2.8 -2,-0.6 2,-0.1 -0.940 45.8-100.6-137.8 162.7 33.5 64.4 39.9 10 13 A E - 0 0 49 -2,-0.3 12,-0.2 28,-0.2 48,-0.0 -0.397 45.4-108.2 -75.3 159.8 34.5 61.0 38.6 11 14 A N - 0 0 5 10,-1.6 2,-0.1 46,-0.1 -1,-0.1 -0.436 40.8 -96.7 -84.8 162.5 34.9 58.1 41.1 12 15 A P - 0 0 69 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.410 34.4-101.6 -82.4 155.6 38.4 56.8 41.9 13 16 A V + 0 0 101 -2,-0.1 6,-0.0 5,-0.1 45,-0.0 -0.601 55.7 155.2 -76.0 130.6 40.1 53.8 40.3 14 17 A T B > -M 17 0B 31 3,-1.2 3,-1.7 -2,-0.3 -3,-0.0 -0.906 61.0 -84.6-141.8 179.6 40.0 50.8 42.8 15 18 A P T 3 S+ 0 0 93 0, 0.0 72,-0.2 0, 0.0 -2,-0.1 0.644 131.2 41.2 -68.2 -14.0 40.1 47.0 42.4 16 19 A W T 3 S+ 0 0 66 1,-0.2 66,-0.1 70,-0.1 -3,-0.0 0.314 115.0 53.8-113.7 6.8 36.3 47.0 41.7 17 20 A N B < +M 14 0B 7 -3,-1.7 -3,-1.2 1,-0.1 -1,-0.2 -0.660 54.0 163.2-146.1 77.2 36.3 50.1 39.4 18 21 A P S S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.850 74.2 42.3 -62.8 -40.6 38.8 49.8 36.6 19 22 A E S S- 0 0 65 -7,-0.1 -8,-0.1 -6,-0.0 -6,-0.0 -0.924 86.6-132.8-119.2 110.7 37.3 52.6 34.5 20 23 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.168 19.3-154.8 -57.6 145.3 36.2 55.7 36.3 21 24 A S - 0 0 37 -9,-0.1 -10,-1.6 -12,-0.1 18,-0.3 -0.926 3.3-146.8-125.1 147.7 32.8 57.2 35.6 22 25 A A - 0 0 64 -2,-0.3 -12,-0.2 -12,-0.2 19,-0.1 -0.817 37.7 -87.0-110.4 150.5 31.5 60.8 35.9 23 26 A P - 0 0 21 0, 0.0 2,-0.6 0, 0.0 19,-0.2 -0.300 28.6-142.2 -57.1 142.2 27.9 61.7 36.8 24 27 A V E +b 42 0A 97 17,-3.0 19,-2.6 2,-0.0 2,-0.5 -0.963 29.9 179.7-104.4 105.8 25.3 61.9 34.0 25 28 A I E -b 43 0A 46 -2,-0.6 19,-0.2 17,-0.2 20,-0.1 -0.960 28.9-121.0-121.0 126.8 23.1 64.9 35.0 26 29 A D > - 0 0 56 17,-2.3 3,-2.2 -2,-0.5 21,-0.1 -0.263 25.3-122.3 -61.2 143.4 20.1 66.2 33.1 27 30 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 18,-0.1 0.725 110.7 57.7 -61.0 -20.5 20.6 69.9 32.1 28 31 A T T 3 S+ 0 0 59 2,-0.1 2,-0.3 179,-0.0 179,-0.1 0.438 86.5 97.3 -88.6 -5.1 17.4 70.8 34.0 29 32 A A < - 0 0 2 -3,-2.2 2,-0.5 17,-0.2 19,-0.2 -0.615 67.0-140.8 -82.7 151.5 18.6 69.4 37.3 30 33 A Y E -n 48 0C 19 17,-2.8 19,-2.6 -2,-0.3 2,-0.6 -0.950 13.4-170.3-114.1 121.2 20.1 71.8 39.9 31 34 A I E -n 49 0C 23 -2,-0.5 19,-0.2 17,-0.2 17,-0.1 -0.949 25.4-128.4-109.3 110.4 23.1 70.6 41.9 32 35 A D > - 0 0 13 17,-2.5 3,-2.2 -2,-0.6 20,-0.1 -0.269 17.0-122.8 -57.3 144.8 23.9 73.1 44.7 33 36 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.814 113.6 53.2 -60.2 -23.6 27.6 74.2 44.8 34 37 A Q T 3 S+ 0 0 127 2,-0.1 18,-1.9 -27,-0.0 2,-0.2 0.255 92.8 89.8-100.5 17.4 27.8 72.8 48.3 35 38 A A < - 0 0 3 -3,-2.2 2,-0.4 16,-0.2 19,-0.2 -0.644 69.5-139.3 -97.4 161.6 26.5 69.4 47.4 36 39 A S E - c 0 54A 27 17,-2.4 19,-2.8 -2,-0.2 2,-0.4 -0.997 18.7-179.8-123.9 129.8 28.8 66.6 46.3 37 40 A V E +ac 8 55A 0 -30,-2.6 -28,-2.3 -2,-0.4 2,-0.4 -0.979 13.1 179.6-134.4 113.1 28.1 64.1 43.4 38 41 A I E -ac 9 56A 14 17,-2.7 19,-3.0 -2,-0.4 -28,-0.2 -0.966 34.8 -28.5-125.3 133.1 30.7 61.5 42.7 39 42 A G E S+ c 0 57A 0 -30,-2.8 2,-1.8 -2,-0.4 19,-0.2 -0.427 106.5 15.5 85.1-142.1 31.0 58.7 40.3 40 43 A E S S+ 0 0 63 17,-1.5 23,-2.1 -2,-0.2 2,-0.4 -0.564 83.7 139.2 -86.2 82.4 28.5 56.4 38.5 41 44 A V E - d 0 63A 3 -2,-1.8 -17,-3.0 21,-0.2 2,-0.5 -0.980 39.3-159.0-129.2 138.9 25.4 58.4 39.1 42 45 A T E -bd 24 64A 55 21,-2.2 23,-2.9 -2,-0.4 2,-0.5 -0.993 10.3-170.2-119.2 126.2 22.4 59.3 36.9 43 46 A I E -bd 25 65A 3 -19,-2.6 -17,-2.3 -2,-0.5 23,-0.2 -0.984 15.1-142.6-117.5 125.7 20.3 62.3 37.9 44 47 A G > - 0 0 9 21,-2.5 3,-1.0 -2,-0.5 -18,-0.1 0.099 33.9 -62.4 -81.4-177.8 17.0 62.9 36.1 45 48 A A T 3 S+ 0 0 16 1,-0.2 23,-3.3 -16,-0.1 24,-0.3 -0.364 112.4 9.4 -69.0 146.7 15.3 66.0 34.9 46 49 A N T 3 S+ 0 0 55 1,-0.2 2,-0.3 21,-0.2 -1,-0.2 0.672 86.4 151.6 62.2 23.4 14.1 68.7 37.3 47 50 A V < - 0 0 0 -3,-1.0 -17,-2.8 21,-0.1 2,-0.5 -0.627 34.7-149.6 -87.0 137.5 15.9 67.2 40.3 48 51 A M E -no 30 70C 4 21,-1.2 23,-2.7 -2,-0.3 2,-0.5 -0.976 9.1-170.5-105.4 124.5 17.0 69.5 43.1 49 52 A V E -no 31 71C 0 -19,-2.6 -17,-2.5 -2,-0.5 23,-0.2 -0.978 21.1-150.9-113.4 115.0 20.1 68.5 45.0 50 53 A S > - 0 0 11 21,-2.7 3,-1.7 -2,-0.5 24,-0.2 -0.203 28.9 -63.6 -88.3 170.9 20.5 70.7 48.1 51 54 A P T 3 S+ 0 0 35 0, 0.0 23,-1.2 0, 0.0 -16,-0.2 -0.215 116.5 12.0 -50.7 141.3 23.4 72.0 50.2 52 55 A M T 3 S+ 0 0 116 -18,-1.9 -17,-0.2 1,-0.3 2,-0.2 0.416 87.3 138.7 70.9 3.6 25.5 69.4 52.0 53 56 A A < - 0 0 2 -3,-1.7 -17,-2.4 21,-0.2 2,-0.5 -0.525 37.9-156.3 -71.2 148.2 24.0 66.4 50.2 54 57 A S E -ce 36 76A 31 21,-2.8 23,-2.4 -19,-0.2 2,-0.6 -0.969 14.2-178.6-131.7 111.4 26.5 63.7 49.3 55 58 A I E +ce 37 77A 0 -19,-2.8 -17,-2.7 -2,-0.5 2,-0.5 -0.969 15.4 178.7-108.0 108.3 25.7 61.3 46.5 56 59 A R E +c 38 0A 96 21,-2.7 2,-0.8 -2,-0.6 3,-0.3 -0.913 17.5 174.0-126.5 104.9 28.7 58.9 46.3 57 60 A S E +c 39 0A 0 -19,-3.0 -17,-1.5 -2,-0.5 -46,-0.1 -0.727 47.4 106.9-111.4 76.0 28.8 56.1 43.8 58 61 A D S S+ 0 0 26 -2,-0.8 -1,-0.2 2,-0.2 3,-0.1 0.435 84.1 30.3-128.8 -12.2 32.3 54.8 44.3 59 62 A E S S+ 0 0 59 1,-0.6 23,-0.5 -3,-0.3 2,-0.2 0.528 128.2 20.8-112.9 -93.4 31.7 51.5 46.2 60 63 A G S S- 0 0 0 19,-2.0 -1,-0.6 21,-0.2 -2,-0.2 -0.512 96.2-128.3 -75.3 137.4 28.3 50.0 45.1 61 64 A M + 0 0 19 -2,-0.2 2,-0.1 -3,-0.1 -20,-0.1 -0.986 61.2 34.8-149.7 155.9 27.2 51.4 41.7 62 65 A P - 0 0 29 0, 0.0 41,-2.6 0, 0.0 42,-1.7 0.571 52.7-168.1 -87.2 168.8 25.2 52.7 39.9 63 66 A I E -df 41 104A 0 -23,-2.1 -21,-2.2 40,-0.2 2,-0.4 -0.988 11.6-168.5-118.3 119.6 23.2 55.3 41.9 64 67 A F E -df 42 105A 44 40,-2.7 42,-2.8 -2,-0.5 2,-0.5 -0.952 13.9-170.6-112.9 139.0 20.1 56.5 40.0 65 68 A V E -df 43 106A 0 -23,-2.9 -21,-2.5 -2,-0.4 42,-0.2 -0.987 24.1-139.3-127.1 117.6 17.8 59.5 40.9 66 69 A G > - 0 0 0 40,-2.1 3,-1.2 41,-0.8 -22,-0.3 0.046 34.3 -64.0 -72.7 176.2 14.7 59.7 38.8 67 70 A D T 3 S+ 0 0 59 1,-0.2 42,-2.4 -23,-0.1 43,-0.2 -0.304 114.4 7.9 -63.8 139.3 12.9 62.6 37.2 68 71 A R T 3 S+ 0 0 93 -23,-3.3 -1,-0.2 1,-0.2 2,-0.2 0.684 95.2 133.0 64.7 26.2 11.4 65.3 39.5 69 72 A S < - 0 0 1 -3,-1.2 -21,-1.2 -24,-0.3 2,-0.4 -0.492 44.5-141.3 -97.9 168.5 12.9 63.8 42.6 70 73 A N E -op 48 111C 1 40,-2.4 42,-2.4 -23,-0.2 2,-0.5 -0.992 12.2-161.8-138.9 143.5 14.7 65.8 45.3 71 74 A V E -op 49 112C 0 -23,-2.7 -21,-2.7 -2,-0.4 -18,-0.2 -0.949 31.0-154.1-123.8 95.7 17.7 65.1 47.5 72 75 A Q > - 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