==== 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 15-JUN-99 1QRM . 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 . 209 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 32.1 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 . 25 12.0 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 . 20 9.6 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+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 5 A V 0 0 134 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 73.3 42.8 77.8 49.6 2 6 A D + 0 0 129 1,-0.2 2,-0.4 0, 0.0 0, 0.0 0.958 360.0 178.5 34.4 88.2 40.6 74.8 48.8 3 7 A E + 0 0 150 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.938 23.7 118.8-112.6 121.7 40.1 74.8 45.1 4 8 A F - 0 0 138 -2,-0.4 2,-0.4 0, 0.0 0, 0.0 -0.978 56.4 -97.1-173.7 171.6 38.0 71.8 43.7 5 9 A S - 0 0 72 -2,-0.3 -2,-0.0 1,-0.1 3,-0.0 -0.868 13.8-159.6-112.4 137.4 35.0 70.4 41.8 6 10 A N S S+ 0 0 30 -2,-0.4 30,-3.4 1,-0.1 2,-0.5 0.563 85.0 58.4 -89.3 -9.1 31.9 69.2 43.6 7 11 A I E S+a 36 0A 60 28,-0.2 2,-0.3 30,-0.1 30,-0.2 -0.985 81.2 137.3-118.8 116.7 30.7 67.0 40.7 8 12 A R E -a 37 0A 135 28,-2.4 30,-3.3 -2,-0.5 2,-0.1 -0.952 50.8 -79.8-157.2 172.2 33.4 64.5 39.8 9 13 A E - 0 0 48 -2,-0.3 12,-0.2 28,-0.2 48,-0.0 -0.364 44.0-113.8 -73.0 156.8 34.5 61.0 38.8 10 14 A N - 0 0 5 10,-1.3 -1,-0.1 46,-0.1 2,-0.1 -0.500 42.5-100.7 -82.9 160.1 35.0 58.2 41.3 11 15 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.397 34.8 -95.1 -81.8 160.9 38.5 57.0 41.8 12 16 A V + 0 0 99 -2,-0.1 6,-0.0 5,-0.1 45,-0.0 -0.590 57.3 160.6 -73.8 129.7 40.2 53.9 40.3 13 17 A T B > -M 16 0B 27 3,-1.2 3,-1.9 -2,-0.3 -3,-0.0 -0.897 57.9 -89.9-142.0 172.0 39.9 51.0 42.7 14 18 A P T 3 S+ 0 0 94 0, 0.0 72,-0.1 0, 0.0 -2,-0.0 0.693 130.7 40.8 -61.7 -22.1 40.2 47.2 42.5 15 19 A W T 3 S+ 0 0 71 1,-0.2 66,-0.1 69,-0.1 -3,-0.0 0.260 114.2 54.9-107.0 5.5 36.4 47.1 41.8 16 20 A N B < +M 13 0B 8 -3,-1.9 -3,-1.2 1,-0.1 -1,-0.2 -0.623 56.2 169.9-142.4 77.0 36.3 50.2 39.5 17 21 A P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.833 75.2 33.9 -57.4 -39.5 38.8 49.8 36.6 18 22 A E S S- 0 0 65 -7,-0.1 -8,-0.1 -6,-0.0 -6,-0.0 -0.965 86.1-127.1-127.9 121.7 37.5 52.8 34.8 19 23 A P - 0 0 66 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.206 18.7-153.1 -59.1 148.7 36.1 55.9 36.4 20 24 A S - 0 0 35 -9,-0.1 -10,-1.3 -12,-0.1 18,-0.3 -0.939 4.4-144.0-124.1 144.4 32.7 57.3 35.6 21 25 A A - 0 0 63 -2,-0.3 19,-0.2 -12,-0.2 -12,-0.2 -0.776 38.5 -89.8-103.9 151.9 31.5 60.9 35.9 22 26 A P - 0 0 19 0, 0.0 2,-0.6 0, 0.0 19,-0.2 -0.298 30.2-140.6 -58.8 147.2 27.9 61.8 37.0 23 27 A V E +b 41 0A 99 17,-2.9 19,-2.7 -3,-0.0 2,-0.5 -0.952 30.6 178.3-113.5 103.5 25.3 62.0 34.2 24 28 A I E -b 42 0A 46 -2,-0.6 19,-0.2 17,-0.2 20,-0.1 -0.952 29.9-119.1-121.0 125.3 23.1 65.0 35.2 25 29 A D > - 0 0 54 17,-2.2 3,-2.5 -2,-0.5 21,-0.1 -0.235 25.1-122.4 -59.9 137.0 20.1 66.4 33.3 26 30 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 17,-0.1 0.741 111.8 56.5 -49.0 -30.0 20.6 70.0 32.3 27 31 A T T 3 S+ 0 0 58 2,-0.1 2,-0.3 179,-0.0 179,-0.1 0.404 86.3 97.1 -87.6 -3.4 17.4 70.9 34.2 28 32 A A < - 0 0 2 -3,-2.5 2,-0.5 17,-0.2 19,-0.2 -0.632 67.6-141.1 -80.7 152.3 18.6 69.4 37.5 29 33 A Y E -n 47 0C 21 17,-2.8 19,-2.8 -2,-0.3 2,-0.6 -0.969 13.6-169.7-116.5 120.9 20.1 71.9 40.0 30 34 A I E -n 48 0C 22 -2,-0.5 19,-0.1 17,-0.2 6,-0.1 -0.955 25.7-127.7-108.1 113.8 23.1 70.7 42.0 31 35 A D > - 0 0 14 17,-2.3 3,-2.2 -2,-0.6 20,-0.1 -0.277 16.6-122.9 -60.3 146.3 23.9 73.1 44.9 32 36 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 17,-0.1 0.813 113.6 51.3 -60.5 -26.3 27.5 74.2 44.9 33 37 A Q T 3 S+ 0 0 129 2,-0.1 18,-1.9 -27,-0.0 2,-0.2 0.179 93.4 90.9 -98.5 14.9 27.9 72.9 48.5 34 38 A A S < S- 0 0 3 -3,-2.2 2,-0.4 16,-0.3 19,-0.2 -0.653 71.6-137.4 -92.7 164.8 26.4 69.5 47.5 35 39 A S E - c 0 53A 29 17,-2.2 19,-2.9 -2,-0.2 2,-0.5 -0.990 19.8-179.2-127.4 127.2 28.8 66.7 46.5 36 40 A V E +ac 7 54A 0 -30,-3.4 -28,-2.4 -2,-0.4 2,-0.4 -0.967 13.0 178.2-130.0 117.1 28.0 64.3 43.5 37 41 A I E -ac 8 55A 13 17,-2.9 19,-2.9 -2,-0.5 -28,-0.2 -0.975 33.7 -31.3-129.3 132.9 30.6 61.6 42.8 38 42 A G E S+ c 0 56A 0 -30,-3.3 2,-1.9 -2,-0.4 19,-0.2 -0.481 106.5 16.8 83.2-145.4 31.0 58.8 40.3 39 43 A E S S+ 0 0 65 17,-1.6 23,-2.1 -2,-0.2 2,-0.4 -0.533 85.1 140.1 -78.4 79.2 28.5 56.5 38.6 40 44 A V E - d 0 62A 3 -2,-1.9 -17,-2.9 21,-0.2 2,-0.5 -0.987 39.2-159.2-124.0 142.7 25.4 58.5 39.2 41 45 A T E -bd 23 63A 54 21,-2.5 23,-2.9 -2,-0.4 2,-0.5 -0.983 9.8-171.8-120.6 125.0 22.4 59.3 37.1 42 46 A I E -bd 24 64A 3 -19,-2.7 -17,-2.2 -2,-0.5 23,-0.2 -0.979 14.6-146.1-117.8 126.1 20.3 62.4 38.0 43 47 A G > - 0 0 8 21,-2.0 3,-0.8 -2,-0.5 -18,-0.1 0.090 34.1 -59.1 -84.4-177.5 17.0 62.9 36.2 44 48 A A T 3 S+ 0 0 16 1,-0.2 23,-3.3 -16,-0.1 24,-0.3 -0.376 111.7 7.5 -68.2 148.7 15.2 66.0 35.1 45 49 A N T 3 S+ 0 0 57 1,-0.2 2,-0.4 21,-0.2 -1,-0.2 0.763 85.8 153.0 60.1 27.0 14.0 68.8 37.4 46 50 A V < - 0 0 0 -3,-0.8 -17,-2.8 21,-0.1 2,-0.5 -0.709 34.7-148.4 -92.5 139.0 15.7 67.3 40.4 47 51 A M E -no 29 69C 4 21,-1.2 23,-2.5 -2,-0.4 2,-0.6 -0.935 9.5-169.2-106.4 122.9 16.8 69.6 43.2 48 52 A V E -no 30 70C 0 -19,-2.8 -17,-2.3 -2,-0.5 23,-0.2 -0.961 19.2-149.6-111.9 111.4 20.0 68.7 45.2 49 53 A S > - 0 0 10 21,-2.5 3,-1.6 -2,-0.6 24,-0.2 -0.221 29.8 -68.1 -80.3 168.0 20.4 70.8 48.3 50 54 A P T 3 S+ 0 0 35 0, 0.0 23,-0.9 0, 0.0 -16,-0.3 -0.211 115.8 13.9 -55.3 142.8 23.4 72.1 50.2 51 55 A M T 3 S+ 0 0 110 -18,-1.9 -17,-0.2 1,-0.3 2,-0.1 0.427 86.4 137.4 72.3 3.6 25.4 69.5 52.1 52 56 A A < - 0 0 2 -3,-1.6 -17,-2.2 21,-0.2 2,-0.4 -0.443 38.7-156.0 -72.0 153.1 23.9 66.4 50.3 53 57 A S E -ce 35 75A 31 21,-3.1 23,-2.2 -19,-0.2 2,-0.6 -0.959 15.0-179.6-137.8 113.1 26.4 63.8 49.4 54 58 A I E +ce 36 76A 0 -19,-2.9 -17,-2.9 -2,-0.4 2,-0.5 -0.984 14.7 177.2-111.2 108.9 25.7 61.3 46.5 55 59 A R E +c 37 0A 96 21,-2.8 2,-0.7 -2,-0.6 23,-0.3 -0.942 18.6 176.9-129.0 108.3 28.7 59.0 46.3 56 60 A S E +c 38 0A 0 -19,-2.9 -17,-1.6 -2,-0.5 -46,-0.1 -0.708 46.7 111.5-104.7 74.3 28.8 56.2 43.8 57 61 A D S S+ 0 0 27 -2,-0.7 -1,-0.2 -19,-0.2 3,-0.1 0.413 84.0 24.3-124.2 -4.0 32.3 54.9 44.4 58 62 A E S S+ 0 0 60 1,-0.7 23,-0.4 -3,-0.3 21,-0.2 0.406 128.0 26.3-122.4 -92.7 31.7 51.5 46.1 59 63 A G S S- 0 0 0 19,-1.7 -1,-0.7 21,-0.2 19,-0.2 -0.426 95.1-131.6 -71.2 140.9 28.3 50.1 45.1 60 64 A M + 0 0 17 -2,-0.2 2,-0.1 -3,-0.1 -20,-0.1 -0.982 60.5 36.6-155.7 152.0 27.1 51.5 41.7 61 65 A P - 0 0 31 0, 0.0 41,-2.6 0, 0.0 42,-1.9 0.546 52.7-169.2 -91.0 167.6 25.2 52.7 40.0 62 66 A I E -df 40 103A 0 -23,-2.1 -21,-2.5 40,-0.2 2,-0.4 -0.980 11.4-172.0-117.3 116.6 23.1 55.3 42.0 63 67 A F E -df 41 104A 43 40,-2.4 42,-2.6 -2,-0.5 2,-0.5 -0.904 13.9-170.3-113.2 135.3 20.0 56.6 40.1 64 68 A V E -df 42 105A 0 -23,-2.9 -21,-2.0 -2,-0.4 42,-0.2 -0.991 24.9-137.3-124.9 119.1 17.7 59.5 41.1 65 69 A G > - 0 0 0 40,-2.2 3,-1.0 41,-0.8 -22,-0.3 0.000 35.0 -64.1 -71.5-177.9 14.6 59.7 38.9 66 70 A D T 3 S+ 0 0 56 1,-0.2 42,-2.2 -23,-0.1 43,-0.2 -0.383 114.2 8.1 -68.9 146.6 12.8 62.8 37.4 67 71 A R T 3 S+ 0 0 92 -23,-3.3 -1,-0.2 1,-0.2 2,-0.2 0.721 95.3 131.2 58.8 28.2 11.3 65.4 39.6 68 72 A S < - 0 0 1 -3,-1.0 -21,-1.2 -24,-0.3 2,-0.4 -0.531 45.4-142.6-101.9 167.8 12.8 63.9 42.8 69 73 A N E -op 47 110C 1 40,-2.3 42,-2.5 -23,-0.2 2,-0.6 -0.998 11.9-159.3-139.8 145.1 14.6 65.9 45.5 70 74 A V E -op 48 111C 0 -23,-2.5 -21,-2.5 -2,-0.4 -18,-0.2 -0.956 30.8-152.5-124.8 98.4 17.7 65.2 47.7 71 75 A Q > - 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