==== 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 10-JUN-99 1QQ0 . 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 . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 78.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 32.2 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 12.5 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 6 A D 0 0 175 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.9 40.4 74.5 48.9 2 7 A E + 0 0 167 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.965 360.0 135.0-115.8 122.3 39.8 74.3 45.1 3 8 A F - 0 0 137 -2,-0.4 2,-0.5 0, 0.0 0, 0.0 -0.995 52.4-111.6-162.1 167.7 37.7 71.4 43.8 4 9 A S - 0 0 67 -2,-0.3 -2,-0.0 1,-0.1 30,-0.0 -0.925 18.1-158.4-106.9 130.0 34.9 70.1 41.5 5 10 A N S S+ 0 0 34 -2,-0.5 30,-2.9 1,-0.1 2,-0.6 0.530 84.1 62.6 -84.9 -7.6 31.8 68.9 43.4 6 11 A I E S+a 35 0A 60 28,-0.2 2,-0.3 30,-0.1 30,-0.2 -0.982 80.8 159.0-119.2 108.4 30.7 66.7 40.4 7 12 A R E -a 36 0A 130 28,-2.1 30,-2.8 -2,-0.6 2,-0.1 -0.916 44.4-103.9-136.1 155.9 33.4 64.1 39.9 8 13 A E - 0 0 48 -2,-0.3 12,-0.2 28,-0.2 48,-0.0 -0.391 45.7-108.7 -71.6 158.8 34.4 60.8 38.5 9 14 A N - 0 0 5 10,-1.6 2,-0.1 46,-0.1 -1,-0.1 -0.446 40.1 -98.8 -81.2 166.5 34.8 57.9 41.0 10 15 A P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.408 34.4-100.5 -89.4 157.0 38.3 56.6 41.7 11 16 A V + 0 0 97 -2,-0.1 6,-0.0 5,-0.1 45,-0.0 -0.615 55.1 157.0 -75.0 133.0 40.0 53.5 40.2 12 17 A T B > -M 15 0B 29 3,-1.3 3,-1.7 -2,-0.3 -3,-0.0 -0.923 59.9 -85.6-142.6 177.5 39.8 50.6 42.6 13 18 A P T 3 S+ 0 0 99 0, 0.0 71,-0.2 0, 0.0 72,-0.2 0.710 131.3 40.2 -59.9 -24.5 39.9 46.8 42.4 14 19 A W T 3 S+ 0 0 64 1,-0.2 66,-0.1 69,-0.1 -3,-0.0 0.332 115.3 54.0-106.9 6.3 36.1 46.8 41.6 15 20 A N B < +M 12 0B 8 -3,-1.7 -3,-1.3 1,-0.1 -1,-0.2 -0.638 56.8 171.4-147.0 79.1 36.2 49.8 39.4 16 21 A P S S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.819 73.6 34.2 -60.1 -38.5 38.7 49.5 36.5 17 22 A E S S- 0 0 64 -7,-0.1 -8,-0.1 -6,-0.0 -6,-0.0 -0.964 86.9-121.2-128.6 125.8 37.5 52.6 34.7 18 23 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 -10,-0.1 -0.129 23.2-158.4 -56.2 147.1 36.2 55.7 36.3 19 24 A S - 0 0 36 -9,-0.1 -10,-1.6 -12,-0.1 18,-0.3 -0.961 3.5-149.0-123.7 147.0 32.7 57.0 35.5 20 25 A A - 0 0 61 -2,-0.3 -12,-0.2 -12,-0.2 19,-0.2 -0.770 36.8 -84.4-116.0 155.3 31.4 60.5 35.9 21 26 A P - 0 0 20 0, 0.0 2,-0.6 0, 0.0 19,-0.2 -0.337 28.6-142.3 -57.5 145.6 27.8 61.4 36.7 22 27 A V E +b 40 0A 99 17,-3.1 19,-2.7 2,-0.0 2,-0.5 -0.969 30.3 178.4-109.2 105.7 25.2 61.7 33.9 23 28 A I E -b 41 0A 44 -2,-0.6 19,-0.2 17,-0.2 20,-0.1 -0.981 29.9-119.6-119.4 128.5 23.0 64.6 34.9 24 29 A D > - 0 0 56 17,-2.4 3,-2.3 -2,-0.5 21,-0.1 -0.188 26.6-120.3 -62.3 140.3 20.0 66.0 33.0 25 30 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 18,-0.1 0.722 111.2 56.5 -55.6 -23.2 20.5 69.6 32.0 26 31 A T T 3 S+ 0 0 50 2,-0.1 2,-0.3 179,-0.0 179,-0.1 0.405 86.0 98.7 -92.2 -0.4 17.3 70.6 33.9 27 32 A A < - 0 0 2 -3,-2.3 2,-0.5 17,-0.2 19,-0.2 -0.636 66.0-142.0 -82.9 153.4 18.5 69.2 37.2 28 33 A Y E -n 46 0C 20 17,-2.7 19,-2.5 -2,-0.3 2,-0.6 -0.965 13.4-170.7-117.6 122.3 20.0 71.5 39.7 29 34 A I E -n 47 0C 23 -2,-0.5 19,-0.2 17,-0.2 17,-0.1 -0.939 26.3-127.0-111.3 120.1 23.0 70.4 41.8 30 35 A D > - 0 0 16 17,-2.6 3,-2.2 -2,-0.6 20,-0.1 -0.265 17.1-122.1 -61.9 148.9 23.8 72.8 44.6 31 36 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 0.806 114.0 52.1 -61.0 -26.3 27.5 73.9 44.7 32 37 A Q T 3 S+ 0 0 130 2,-0.1 18,-2.1 -27,-0.0 2,-0.2 0.220 93.0 90.0-100.7 17.1 27.7 72.6 48.2 33 38 A A S < S- 0 0 3 -3,-2.2 2,-0.4 16,-0.3 19,-0.2 -0.678 70.4-138.1 -96.3 162.4 26.3 69.1 47.3 34 39 A S E + c 0 52A 28 17,-2.5 19,-2.8 -2,-0.2 2,-0.4 -0.991 20.2 178.5-123.7 128.3 28.7 66.3 46.2 35 40 A V E +ac 6 53A 0 -30,-2.9 -28,-2.1 -2,-0.4 2,-0.4 -0.962 13.2 175.6-134.3 115.4 27.9 63.9 43.3 36 41 A I E -ac 7 54A 14 17,-2.8 19,-3.0 -2,-0.4 -28,-0.2 -0.973 35.7 -21.5-125.4 136.2 30.6 61.3 42.6 37 42 A G E S+ c 0 55A 0 -30,-2.8 2,-1.7 -2,-0.4 19,-0.2 -0.479 106.5 11.2 87.5-148.2 30.9 58.4 40.2 38 43 A E S S+ 0 0 64 17,-1.5 23,-2.1 -2,-0.2 2,-0.4 -0.642 83.4 140.1 -86.0 85.2 28.4 56.2 38.4 39 44 A V E - d 0 61A 3 -2,-1.7 -17,-3.1 21,-0.2 2,-0.5 -0.980 38.6-159.5-129.4 142.9 25.3 58.2 39.0 40 45 A T E -bd 22 62A 55 21,-2.0 23,-2.9 -2,-0.4 2,-0.5 -0.989 10.9-170.3-123.8 124.0 22.3 59.1 36.8 41 46 A I E -bd 23 63A 3 -19,-2.7 -17,-2.4 -2,-0.5 23,-0.2 -0.988 15.3-140.5-117.5 129.4 20.2 62.1 37.8 42 47 A G > - 0 0 8 21,-2.8 3,-1.1 -2,-0.5 22,-0.1 0.164 33.7 -62.1 -80.6-178.1 17.0 62.7 36.0 43 48 A A T 3 S+ 0 0 16 1,-0.2 23,-3.2 -16,-0.1 24,-0.3 -0.360 112.3 6.8 -70.3 149.5 15.2 65.8 34.8 44 49 A N T 3 S+ 0 0 48 1,-0.2 2,-0.3 21,-0.2 -1,-0.2 0.689 87.4 149.9 56.1 29.4 14.0 68.5 37.1 45 50 A V < - 0 0 0 -3,-1.1 -17,-2.7 21,-0.1 2,-0.5 -0.663 35.3-149.7 -89.1 146.0 15.7 66.9 40.2 46 51 A M E -no 28 68C 5 21,-1.2 23,-2.6 -2,-0.3 2,-0.5 -0.972 8.6-168.8-113.1 129.9 17.0 69.2 42.9 47 52 A V E -no 29 69C 0 -19,-2.5 -17,-2.6 -2,-0.5 23,-0.2 -0.984 21.4-149.3-114.6 118.3 20.0 68.2 45.0 48 53 A S > - 0 0 10 21,-2.7 3,-1.8 -2,-0.5 24,-0.2 -0.167 29.8 -64.0 -89.8 170.9 20.4 70.5 48.0 49 54 A P T 3 S+ 0 0 34 0, 0.0 23,-1.2 0, 0.0 -16,-0.3 -0.267 116.9 12.9 -50.8 140.6 23.3 71.8 50.0 50 55 A M T 3 S+ 0 0 115 -18,-2.1 -17,-0.2 1,-0.3 2,-0.2 0.415 87.4 138.2 73.0 3.0 25.4 69.1 51.9 51 56 A A < - 0 0 2 -3,-1.8 -17,-2.5 21,-0.2 2,-0.4 -0.526 38.3-156.6 -71.7 151.5 23.8 66.1 50.1 52 57 A S E -ce 34 74A 31 21,-2.6 23,-2.5 -19,-0.2 2,-0.6 -0.956 14.8-179.9-133.1 112.6 26.3 63.5 49.2 53 58 A I E +ce 35 75A 0 -19,-2.8 -17,-2.8 -2,-0.4 2,-0.5 -0.955 15.1 177.5-108.4 112.9 25.6 61.0 46.3 54 59 A R E +c 36 0A 96 21,-2.7 2,-0.7 -2,-0.6 3,-0.3 -0.942 17.9 176.4-132.7 106.3 28.6 58.7 46.1 55 60 A S E +c 37 0A 0 -19,-3.0 -17,-1.5 -2,-0.5 -46,-0.1 -0.744 48.4 107.2-110.4 77.3 28.7 55.9 43.6 56 61 A D S S+ 0 0 25 -2,-0.7 -1,-0.2 2,-0.2 3,-0.1 0.477 83.9 29.1-129.0 -13.7 32.2 54.6 44.2 57 62 A E S S+ 0 0 59 1,-0.6 23,-0.5 -3,-0.3 2,-0.2 0.540 128.6 21.6-112.0 -87.5 31.6 51.3 46.1 58 63 A G S S- 0 0 0 19,-2.0 -1,-0.6 21,-0.2 -2,-0.2 -0.511 97.1-125.9 -78.0 135.5 28.2 49.8 45.1 59 64 A M + 0 0 20 -2,-0.2 2,-0.1 19,-0.2 -20,-0.1 -0.987 61.0 30.0-152.4 157.7 27.1 51.2 41.6 60 65 A P - 0 0 30 0, 0.0 41,-2.6 0, 0.0 42,-1.8 0.573 53.4-167.2 -87.5 168.9 25.2 52.5 39.8 61 66 A I E -df 39 102A 0 -23,-2.1 -21,-2.0 40,-0.2 2,-0.4 -0.994 11.8-166.8-116.8 126.8 23.1 55.0 41.8 62 67 A F E -df 40 103A 39 40,-2.9 42,-2.7 -2,-0.5 2,-0.5 -0.940 13.9-169.8-117.8 138.9 20.0 56.3 39.9 63 68 A V E -df 41 104A 0 -23,-2.9 -21,-2.8 -2,-0.4 42,-0.2 -0.981 23.3-140.4-127.4 118.2 17.7 59.2 40.7 64 69 A G > - 0 0 0 40,-2.0 3,-1.1 41,-0.8 -22,-0.2 0.030 34.9 -63.5 -75.8 176.8 14.6 59.4 38.6 65 70 A D T 3 S+ 0 0 61 1,-0.2 42,-2.4 -23,-0.1 43,-0.2 -0.340 113.9 7.0 -66.9 144.3 12.8 62.4 37.1 66 71 A R T 3 S+ 0 0 95 -23,-3.2 -1,-0.2 1,-0.2 2,-0.2 0.684 95.3 132.7 59.3 28.6 11.3 65.2 39.4 67 72 A S < - 0 0 1 -3,-1.1 -21,-1.2 -24,-0.3 2,-0.4 -0.576 45.2-141.0 -98.6 168.6 12.8 63.6 42.5 68 73 A N E -op 46 109C 0 40,-2.2 42,-2.3 -23,-0.2 2,-0.6 -0.985 12.6-161.1-139.9 143.5 14.6 65.6 45.2 69 74 A V E -op 47 110C 0 -23,-2.6 -21,-2.7 -2,-0.4 -18,-0.2 -0.961 31.8-153.4-120.5 97.6 17.7 64.8 47.3 70 75 A Q > - 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