==== 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 1QRG . 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 . 206 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 32.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.3 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 . 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 . 23 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 9.7 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 . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 8 A F 0 0 231 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.9 37.9 71.6 43.5 2 9 A S - 0 0 68 1,-0.1 3,-0.0 30,-0.0 30,-0.0 -0.908 360.0-157.2-110.7 137.1 34.8 70.4 41.6 3 10 A N S S+ 0 0 32 -2,-0.4 30,-3.2 1,-0.1 2,-0.6 0.512 87.1 61.8 -85.9 -12.2 31.9 69.1 43.6 4 11 A I E S+a 33 0A 58 28,-0.2 2,-0.3 30,-0.1 30,-0.2 -0.975 81.6 141.9-113.6 116.1 30.7 67.0 40.7 5 12 A R E -a 34 0A 133 28,-2.4 30,-2.8 -2,-0.6 2,-0.1 -0.908 49.5 -86.8-155.7 166.3 33.3 64.5 39.9 6 13 A E - 0 0 113 -2,-0.3 12,-0.2 28,-0.2 48,-0.0 -0.449 43.3-111.0 -73.3 156.4 34.4 61.1 38.9 7 14 A N - 0 0 5 10,-1.4 2,-0.1 46,-0.1 -1,-0.1 -0.455 42.1-100.6 -82.2 161.9 34.9 58.2 41.2 8 15 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.437 34.4 -96.9 -84.3 159.5 38.4 57.0 41.8 9 16 A V + 0 0 101 -2,-0.1 6,-0.0 5,-0.1 45,-0.0 -0.610 56.5 158.2 -75.3 133.1 40.1 54.0 40.3 10 17 A T B > -M 13 0B 29 3,-1.1 3,-1.8 -2,-0.3 -3,-0.0 -0.895 59.3 -87.5-140.5 175.2 39.9 51.0 42.7 11 18 A P T 3 S+ 0 0 95 0, 0.0 72,-0.1 0, 0.0 -2,-0.0 0.762 131.3 40.8 -58.8 -25.7 40.2 47.2 42.4 12 19 A W T 3 S+ 0 0 85 1,-0.2 3,-0.1 70,-0.1 66,-0.1 0.371 115.2 53.0-105.9 4.7 36.4 47.1 41.7 13 20 A N B < +M 10 0B 8 -3,-1.8 -3,-1.1 1,-0.1 -1,-0.2 -0.635 54.0 163.9-144.8 77.0 36.3 50.2 39.5 14 21 A P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.814 75.6 43.6 -61.9 -37.3 38.9 49.9 36.6 15 22 A E S S- 0 0 64 -3,-0.1 -8,-0.1 -7,-0.1 -6,-0.0 -0.924 85.3-135.5-121.4 107.8 37.2 52.6 34.7 16 23 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.240 18.2-154.4 -57.6 145.3 36.1 55.8 36.4 17 24 A S - 0 0 34 -9,-0.1 -10,-1.4 -12,-0.1 18,-0.2 -0.908 3.9-144.2-125.0 145.2 32.7 57.3 35.7 18 25 A A - 0 0 45 -2,-0.3 -12,-0.2 -12,-0.2 19,-0.1 -0.825 36.5 -90.8-109.4 149.3 31.4 60.8 35.9 19 26 A P - 0 0 21 0, 0.0 2,-0.6 0, 0.0 19,-0.2 -0.307 28.4-142.5 -55.2 143.0 27.8 61.7 36.9 20 27 A V E +b 38 0A 97 17,-3.0 19,-2.8 2,-0.0 2,-0.5 -0.965 29.1 178.8-108.9 104.5 25.2 62.1 34.1 21 28 A I E -b 39 0A 45 -2,-0.6 19,-0.2 17,-0.2 20,-0.1 -0.980 30.0-119.6-116.7 127.6 23.0 65.0 35.2 22 29 A D > - 0 0 53 17,-2.4 3,-2.4 -2,-0.5 21,-0.1 -0.225 25.2-122.4 -59.8 141.6 20.1 66.3 33.2 23 30 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.768 111.3 58.2 -55.6 -21.6 20.6 70.0 32.3 24 31 A T T 3 S+ 0 0 53 2,-0.1 2,-0.2 179,-0.0 179,-0.1 0.442 86.6 95.8 -91.6 -3.8 17.3 70.9 34.1 25 32 A A < - 0 0 2 -3,-2.4 2,-0.5 17,-0.2 19,-0.2 -0.606 68.1-140.9 -83.0 154.3 18.6 69.5 37.5 26 33 A Y E -n 44 0C 21 17,-2.7 19,-2.7 -2,-0.2 2,-0.6 -0.973 13.1-169.7-115.2 121.5 20.1 71.8 40.0 27 34 A I E -n 45 0C 21 -2,-0.5 19,-0.1 17,-0.2 6,-0.1 -0.939 25.5-129.5-108.6 113.2 23.1 70.7 42.0 28 35 A D > - 0 0 13 17,-2.5 3,-2.4 -2,-0.6 20,-0.1 -0.270 17.8-121.7 -57.6 148.6 23.9 73.1 44.8 29 36 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 17,-0.1 0.820 113.7 52.8 -63.6 -23.3 27.5 74.1 44.9 30 37 A Q T 3 S+ 0 0 127 2,-0.1 18,-2.1 -27,-0.0 2,-0.2 0.262 92.3 90.2-101.3 17.7 27.8 72.8 48.4 31 38 A A S < S- 0 0 3 -3,-2.4 2,-0.4 16,-0.3 19,-0.2 -0.667 71.2-137.8 -95.7 162.8 26.4 69.4 47.5 32 39 A S E - c 0 50A 27 17,-2.6 19,-3.1 -2,-0.2 2,-0.4 -0.989 19.9-179.9-123.6 128.7 28.8 66.6 46.5 33 40 A V E +ac 4 51A 0 -30,-3.2 -28,-2.4 -2,-0.4 2,-0.4 -0.955 12.5 176.8-132.6 115.1 28.0 64.2 43.6 34 41 A I E -ac 5 52A 13 17,-2.6 19,-3.1 -2,-0.4 -28,-0.2 -0.951 35.4 -27.0-125.3 136.0 30.7 61.6 42.8 35 42 A G E S+ c 0 53A 0 -30,-2.8 2,-1.8 -2,-0.4 19,-0.2 -0.450 106.2 14.9 80.8-146.4 30.9 58.7 40.4 36 43 A E S S+ 0 0 66 17,-1.5 23,-2.2 -2,-0.2 2,-0.4 -0.607 83.8 141.0 -81.6 79.2 28.5 56.5 38.6 37 44 A V E - d 0 59A 2 -2,-1.8 -17,-3.0 21,-0.2 2,-0.5 -0.995 39.1-159.3-124.0 141.2 25.4 58.5 39.2 38 45 A T E -bd 20 60A 54 21,-2.1 23,-2.8 -2,-0.4 2,-0.5 -0.971 10.4-170.9-118.3 125.3 22.4 59.3 37.0 39 46 A I E -bd 21 61A 3 -19,-2.8 -17,-2.4 -2,-0.5 23,-0.2 -0.978 14.9-143.7-117.1 128.2 20.3 62.4 38.0 40 47 A G > - 0 0 8 21,-2.2 3,-1.1 -2,-0.5 -18,-0.1 0.094 33.2 -61.9 -86.3-177.8 17.0 63.0 36.2 41 48 A A T 3 S+ 0 0 15 1,-0.2 23,-3.2 -16,-0.1 24,-0.3 -0.349 111.9 7.5 -68.4 150.3 15.2 66.1 35.1 42 49 A N T 3 S+ 0 0 49 1,-0.2 2,-0.3 21,-0.2 -1,-0.2 0.693 86.1 152.6 59.6 25.4 14.0 68.8 37.4 43 50 A V < - 0 0 0 -3,-1.1 -17,-2.7 21,-0.1 2,-0.5 -0.703 35.2-148.5 -87.1 144.7 15.8 67.2 40.4 44 51 A M E -no 26 66C 3 21,-1.1 23,-2.6 -2,-0.3 2,-0.6 -0.949 9.9-169.7-109.4 119.9 16.8 69.6 43.2 45 52 A V E -no 27 67C 0 -19,-2.7 -17,-2.5 -2,-0.5 23,-0.2 -0.970 19.4-149.7-107.6 115.1 20.0 68.6 45.1 46 53 A S > - 0 0 10 21,-2.8 3,-1.7 -2,-0.6 24,-0.2 -0.209 29.2 -66.6 -84.3 170.7 20.4 70.8 48.3 47 54 A P T 3 S+ 0 0 31 0, 0.0 23,-1.1 0, 0.0 -16,-0.3 -0.235 116.0 13.5 -53.1 143.5 23.4 72.0 50.2 48 55 A M T 3 S+ 0 0 114 -18,-2.1 -17,-0.2 1,-0.3 2,-0.2 0.417 86.6 138.7 70.0 5.0 25.4 69.4 52.1 49 56 A A < - 0 0 2 -3,-1.7 -17,-2.6 21,-0.2 2,-0.5 -0.522 38.1-156.7 -72.7 151.5 23.9 66.4 50.3 50 57 A S E -ce 32 72A 31 21,-2.9 23,-2.4 -19,-0.2 2,-0.6 -0.964 15.0-179.9-133.1 113.8 26.4 63.8 49.4 51 58 A I E +ce 33 73A 0 -19,-3.1 -17,-2.6 -2,-0.5 2,-0.5 -0.982 15.2 177.1-110.2 110.1 25.7 61.3 46.5 52 59 A R E +c 34 0A 97 21,-2.6 2,-0.8 -2,-0.6 23,-0.3 -0.958 17.8 176.5-131.1 103.9 28.7 59.1 46.3 53 60 A S E +c 35 0A 0 -19,-3.1 -17,-1.5 -2,-0.5 -46,-0.1 -0.750 47.7 109.0-107.8 78.5 28.8 56.2 43.8 54 61 A D S S+ 0 0 25 -2,-0.8 -1,-0.2 -19,-0.2 3,-0.1 0.406 83.7 27.8-129.3 -9.5 32.3 54.9 44.4 55 62 A E S S+ 0 0 50 1,-0.7 23,-0.5 -3,-0.3 2,-0.2 0.529 128.1 23.0-116.0 -90.6 31.6 51.6 46.2 56 63 A G S S- 0 0 0 19,-1.7 -1,-0.7 21,-0.2 19,-0.2 -0.528 96.4-127.5 -74.7 134.5 28.3 50.1 45.2 57 64 A M + 0 0 19 -2,-0.2 2,-0.1 -3,-0.1 -20,-0.1 -0.989 61.1 32.2-150.5 156.0 27.2 51.5 41.8 58 65 A P - 0 0 31 0, 0.0 41,-2.6 0, 0.0 42,-1.9 0.544 52.7-168.5 -88.3 165.0 25.2 52.8 40.0 59 66 A I E -df 37 100A 0 -23,-2.2 -21,-2.1 40,-0.2 2,-0.4 -0.989 11.1-168.4-114.1 122.6 23.1 55.3 42.0 60 67 A F E -df 38 101A 42 40,-2.8 42,-2.8 -2,-0.5 2,-0.5 -0.919 13.7-171.1-112.9 140.6 20.0 56.6 40.1 61 68 A V E -df 39 102A 0 -23,-2.8 -21,-2.2 -2,-0.4 42,-0.2 -0.992 24.4-141.8-128.8 117.6 17.8 59.5 41.0 62 69 A G > - 0 0 0 40,-1.6 3,-1.3 41,-0.9 -22,-0.2 0.005 34.0 -58.9 -79.9-179.6 14.7 59.8 38.9 63 70 A D T 3 S+ 0 0 61 1,-0.2 42,-2.4 41,-0.1 -21,-0.2 -0.342 114.3 5.2 -62.8 142.4 12.8 62.7 37.4 64 71 A R T 3 S+ 0 0 93 -23,-3.2 -1,-0.2 40,-0.2 132,-0.1 0.677 95.2 133.6 58.4 32.1 11.3 65.4 39.6 65 72 A S < - 0 0 1 -3,-1.3 -21,-1.1 -24,-0.3 2,-0.4 -0.484 44.7-142.8-104.9 165.4 12.8 63.9 42.8 66 73 A N E -op 44 107C 0 40,-2.2 42,-2.2 -23,-0.2 2,-0.6 -0.987 11.4-159.9-136.4 144.7 14.6 65.9 45.4 67 74 A V E -op 45 108C 0 -23,-2.6 -21,-2.8 -2,-0.4 -18,-0.2 -0.953 30.8-152.0-121.2 99.9 17.7 65.1 47.6 68 75 A Q > - 0 0 10 40,-2.6 3,-2.1 -2,-0.6 43,-0.1 0.058 33.2 -51.6 -80.0-179.5 17.5 67.5 50.5 69 76 A D T 3 S+ 0 0 58 1,-0.3 42,-2.4 -20,-0.1 -21,-0.2 -0.256 121.5 0.6 -61.7 131.7 20.1 69.1 52.8 70 77 A G T 3 S+ 0 0 27 -23,-1.1 -1,-0.3 1,-0.2 2,-0.2 0.537 88.1 150.0 71.4 8.6 22.5 66.7 54.3 71 78 A V < - 0 0 0 -3,-2.1 -21,-2.9 37,-0.2 2,-0.5 -0.500 32.0-152.2 -72.2 136.4 21.0 63.6 52.6 72 79 A V E -eg 50 113A 52 40,-1.5 42,-1.7 -23,-0.2 2,-0.4 -0.973 14.7-176.0-113.0 133.4 23.5 60.8 52.0 73 80 A L E +eg 51 114A 0 -23,-2.4 -21,-2.6 -2,-0.5 2,-0.3 -0.993 27.1 134.2-120.9 129.6 23.3 58.2 49.2 74 81 A H E - g 0 115A 12 40,-1.1 42,-2.9 -2,-0.4 2,-0.3 -0.936 31.7-147.8-160.5 169.0 26.0 55.5 49.2 75 82 A A E - g 0 116A 0 -23,-0.3 -19,-1.7 -2,-0.3 -21,-0.1 -0.995 20.8 -99.0-154.1 154.9 26.0 51.7 48.8 76 83 A L - 0 0 39 40,-1.3 -19,-0.1 -2,-0.3 -21,-0.1 -0.319 66.5 -72.4 -65.0 149.9 27.7 48.5 49.7 77 84 A E - 0 0 87 -21,-0.2 -21,-0.2 1,-0.1 -1,-0.2 -0.108 41.7-172.7 -52.1 131.6 30.1 47.0 47.1 78 85 A T S S+ 0 0 10 -23,-0.5 8,-1.1 1,-0.3 2,-0.3 0.483 75.7 44.0-102.3 -9.7 28.4 45.6 44.1 79 86 A I E S-T 85 0D 54 6,-0.3 2,-0.3 -24,-0.1 -1,-0.3 -0.977 80.1-144.5-136.9 122.8 31.6 44.1 42.5 80 87 A N E >> -T 84 0D 31 4,-3.9 3,-2.1 -2,-0.3 4,-1.4 -0.675 38.3 -82.9 -94.7 154.3 34.1 42.1 44.7 81 88 A E T 34 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.495 127.6 52.2 -3.6 -56.1 37.9 42.0 44.4 82 89 A E T 34 S- 0 0 184 2,-0.1 -1,-0.3 -70,-0.0 -70,-0.1 0.125 125.4 -97.8 -82.5 12.1 37.9 39.3 41.7 83 90 A G T <4 S+ 0 0 47 -3,-2.1 -2,-0.2 1,-0.2 -71,-0.0 0.669 76.7 148.2 75.7 18.9 35.5 41.3 39.5 84 91 A E E < -T 80 0D 43 -4,-1.4 -4,-3.9 1,-0.0 2,-0.4 -0.745 49.6-125.8 -90.9 131.4 32.4 39.3 40.8 85 92 A P E -T 79 0D 65 0, 0.0 2,-1.2 0, 0.0 -6,-0.3 -0.597 17.0-140.6 -66.8 124.3 29.0 41.0 41.1 86 93 A I > - 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