==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE (OXO-ACID) 02-APR-96 1THJ . COMPND 2 MOLECULE: CARBONIC ANHYDRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA THERMOPHILA; . AUTHOR C.KISKER,H.SCHINDELIN,D.C.REES . 639 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 195 30.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 4.7 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 0 0.0 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 . 77 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 9.4 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 0 3 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 30 15 3 0 3 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 . 9 0 3 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 . 3 0 0 0 0 3 0 0 0 0 0 3 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 0 A M 0 0 170 0, 0.0 2,-0.3 0, 0.0 430,-0.1 0.000 360.0 360.0 360.0 148.6 48.2 32.1 173.2 2 1 A Q - 0 0 80 428,-0.4 2,-0.4 214,-0.1 214,-0.4 -0.672 360.0-168.4 -99.9 147.3 47.2 34.6 170.5 3 2 A E - 0 0 151 -2,-0.3 2,-0.4 212,-0.1 0, 0.0 -0.981 14.7-154.8-133.5 116.5 49.0 37.6 169.0 4 3 A I - 0 0 47 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.779 5.5-164.7 -97.7 134.9 47.0 39.9 166.8 5 4 A T - 0 0 128 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.977 11.3-155.0-119.6 128.6 48.6 42.1 164.1 6 5 A V - 0 0 95 -2,-0.4 2,-0.6 3,-0.0 3,-0.1 -0.848 12.6-157.4-112.1 136.1 46.5 44.9 162.6 7 6 A D - 0 0 113 -2,-0.4 3,-0.5 1,-0.1 -2,-0.0 -0.964 7.0-163.6-105.6 120.6 46.8 46.7 159.3 8 7 A E S S+ 0 0 143 -2,-0.6 3,-0.1 1,-0.2 -1,-0.1 0.653 83.6 40.4 -78.9 -12.7 45.1 50.1 159.6 9 8 A F > + 0 0 125 1,-0.1 3,-1.3 3,-0.1 -1,-0.2 -0.398 55.0 140.5-135.8 58.0 44.9 50.6 155.8 10 9 A S T 3 S+ 0 0 82 -3,-0.5 3,-0.2 1,-0.3 -1,-0.1 0.583 77.6 65.2 -72.4 -9.0 43.9 47.4 154.1 11 10 A N T 3 S+ 0 0 8 1,-0.2 30,-2.0 -3,-0.1 2,-0.8 0.590 90.4 65.4 -86.7 -14.5 41.7 49.7 151.9 12 11 A I B < S+a 41 0A 41 -3,-1.3 -1,-0.2 28,-0.2 30,-0.2 -0.659 80.6 156.5-107.2 70.8 44.9 51.3 150.6 13 12 A R - 0 0 39 -2,-0.8 30,-0.3 28,-0.7 2,-0.3 0.046 34.0-113.5 -79.4-165.1 46.2 48.3 148.8 14 13 A E - 0 0 80 28,-0.2 12,-0.2 12,-0.2 -1,-0.1 -0.764 37.7 -71.1-129.7 176.0 48.5 47.8 145.9 15 14 A N - 0 0 0 10,-2.7 2,-0.2 -2,-0.3 -1,-0.1 -0.172 41.7-131.9 -66.1 149.6 48.4 46.6 142.3 16 15 A P - 0 0 0 0, 0.0 2,-0.6 0, 0.0 622,-0.1 -0.570 31.4 -97.9 -97.8 169.5 48.0 43.0 141.4 17 16 A V + 0 0 63 620,-0.5 623,-0.1 -2,-0.2 624,-0.1 -0.809 53.1 159.2 -94.5 125.1 50.2 41.2 138.9 18 17 A T B > -M 21 0B 9 3,-2.5 3,-1.2 -2,-0.6 616,-0.1 -0.860 58.1 -91.4-134.2 170.1 48.8 40.9 135.4 19 18 A P T 3 S+ 0 0 51 0, 0.0 -2,-0.0 0, 0.0 69,-0.0 0.738 132.1 38.4 -56.3 -25.0 50.2 40.4 131.9 20 19 A W T 3 S+ 0 0 9 1,-0.2 -3,-0.0 70,-0.1 66,-0.0 0.528 120.3 48.0-102.5 -8.5 50.4 44.2 131.6 21 20 A N B < +M 18 0B 3 -3,-1.2 -3,-2.5 1,-0.1 -1,-0.2 -0.770 57.2 161.8-136.9 88.5 51.5 44.8 135.2 22 21 A P S S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.680 70.4 46.5 -77.7 -25.7 54.4 42.5 136.3 23 22 A E S S- 0 0 113 -7,-0.1 -8,-0.1 -5,-0.0 -6,-0.0 -0.950 86.5-130.1-128.4 108.8 55.6 44.5 139.3 24 23 A P - 0 0 48 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.207 22.2-164.2 -53.8 141.9 52.9 45.8 141.8 25 24 A S - 0 0 27 -9,-0.1 -10,-2.7 -4,-0.0 18,-0.3 -0.806 7.1-141.7-123.1 166.0 53.0 49.5 142.7 26 25 A A - 0 0 53 -2,-0.3 -12,-0.2 -12,-0.2 16,-0.1 -0.937 30.0 -82.1-133.1 153.5 51.3 51.1 145.7 27 26 A P - 0 0 22 0, 0.0 2,-0.7 0, 0.0 19,-0.2 -0.264 32.0-148.2 -54.4 134.1 49.5 54.5 146.2 28 27 A V E -b 46 0A 94 17,-2.9 19,-2.4 2,-0.0 2,-0.5 -0.944 24.1-175.2-104.4 109.8 51.8 57.4 147.0 29 28 A I E -b 47 0A 47 -2,-0.7 19,-0.2 17,-0.2 6,-0.0 -0.931 25.4-125.6-118.8 115.6 49.7 59.6 149.3 30 29 A D > - 0 0 61 17,-2.4 3,-1.8 -2,-0.5 21,-0.1 -0.267 28.0-119.4 -54.6 139.4 50.9 62.9 150.6 31 30 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 0.646 110.3 57.9 -52.3 -30.2 50.7 63.1 154.4 32 31 A T T 3 S+ 0 0 61 2,-0.1 2,-0.1 0, 0.0 17,-0.1 0.617 86.9 98.9 -82.2 -12.6 48.2 65.9 154.5 33 32 A A < - 0 0 5 -3,-1.8 2,-0.5 17,-0.1 19,-0.2 -0.403 65.8-142.6 -72.8 151.4 45.7 63.9 152.4 34 33 A Y E -n 52 0C 20 17,-2.7 19,-2.2 -2,-0.1 2,-0.8 -0.957 11.3-168.1-121.6 115.2 42.8 62.2 154.2 35 34 A I E -n 53 0C 18 -2,-0.5 19,-0.1 17,-0.2 4,-0.1 -0.860 25.9-128.6-104.4 104.1 41.7 58.8 152.9 36 35 A D > - 0 0 0 17,-2.4 3,-2.2 -2,-0.8 20,-0.1 -0.132 18.1-121.4 -49.2 136.4 38.4 57.8 154.5 37 36 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 -26,-0.1 0.761 113.1 50.3 -52.5 -28.3 38.6 54.3 156.0 38 37 A E T 3 S+ 0 0 24 2,-0.1 18,-1.8 187,-0.0 2,-0.2 0.124 93.8 91.0 -99.6 19.6 35.7 53.2 153.8 39 38 A A S < S- 0 0 0 -3,-2.2 2,-0.4 16,-0.2 19,-0.2 -0.506 70.7-135.8 -99.0 175.3 37.2 54.6 150.6 40 39 A S E + c 0 58A 0 17,-1.2 19,-2.7 -2,-0.2 2,-0.5 -0.951 20.4 179.6-144.1 119.2 39.4 52.4 148.4 41 40 A V E +ac 12 59A 0 -30,-2.0 -28,-0.7 -2,-0.4 2,-0.4 -0.984 14.4 174.6-120.9 121.8 42.8 53.4 146.8 42 41 A I E - c 0 60A 0 17,-2.3 19,-2.6 -2,-0.5 -28,-0.2 -0.977 36.3 -14.4-132.9 142.2 44.5 50.7 144.7 43 42 A G E S+ c 0 61A 0 -2,-0.4 2,-1.6 -30,-0.3 19,-0.2 -0.240 108.6 3.2 77.9-162.4 47.6 50.6 142.5 44 43 A E S S+ 0 0 74 17,-1.0 23,-1.8 -17,-0.1 2,-0.3 -0.440 83.9 145.9 -65.4 86.3 49.8 53.3 141.0 45 44 A V E - d 0 67A 2 -2,-1.6 -17,-2.9 21,-0.2 2,-0.4 -0.906 34.8-161.6-126.8 152.0 48.1 56.3 142.4 46 45 A T E -bd 28 68A 53 21,-1.3 23,-3.0 -2,-0.3 2,-0.4 -0.959 10.0-176.0-137.6 111.9 49.5 59.7 143.5 47 46 A I E -bd 29 69A 2 -19,-2.4 -17,-2.4 -2,-0.4 23,-0.2 -0.928 15.3-147.5-108.9 138.2 47.4 61.8 145.8 48 47 A G > - 0 0 6 21,-1.7 3,-1.5 -2,-0.4 22,-0.1 -0.203 35.6 -43.9 -97.1-169.6 48.6 65.3 146.7 49 48 A A T 3 S- 0 0 13 1,-0.3 23,-3.2 -17,-0.1 24,-0.2 -0.214 116.7 -1.9 -60.3 133.0 48.4 67.6 149.6 50 49 A N T 3 S+ 0 0 42 1,-0.2 -1,-0.3 21,-0.2 157,-0.2 0.630 82.3 160.8 64.8 17.7 45.1 68.1 151.4 51 50 A V < - 0 0 0 -3,-1.5 -17,-2.7 18,-0.1 2,-0.6 -0.466 29.2-150.3 -69.7 140.8 43.2 65.8 149.2 52 51 A M E -no 34 74C 1 21,-1.0 23,-1.3 -19,-0.2 2,-0.8 -0.898 11.4-172.0-115.9 98.7 39.9 64.7 150.8 53 52 A V E -no 35 75C 0 -19,-2.2 -17,-2.4 -2,-0.6 23,-0.2 -0.828 18.1-153.5 -92.5 108.2 38.9 61.2 149.6 54 53 A S > - 0 0 0 21,-3.0 3,-1.4 -2,-0.8 24,-0.1 -0.125 29.5 -62.0 -77.1 173.6 35.4 60.6 151.0 55 54 A P T 3 S+ 0 0 0 0, 0.0 23,-1.2 0, 0.0 -16,-0.2 -0.121 116.3 12.9 -54.5 150.1 33.6 57.3 151.8 56 55 A M T 3 S+ 0 0 8 -18,-1.8 -17,-0.2 21,-0.2 20,-0.1 0.474 88.2 141.8 61.6 2.6 32.8 54.8 149.1 57 56 A A < - 0 0 0 -3,-1.4 -17,-1.2 18,-0.1 2,-0.4 -0.396 36.2-158.2 -68.7 155.8 35.2 56.5 146.7 58 57 A S E +ce 40 80A 0 21,-2.2 23,-2.6 -19,-0.2 2,-0.6 -0.927 16.1 178.2-143.3 109.3 37.1 54.1 144.5 59 58 A I E +ce 41 81A 0 -19,-2.7 -17,-2.3 -2,-0.4 2,-0.5 -0.982 16.1 178.0-111.3 111.9 40.4 55.2 142.9 60 59 A R E +c 42 0A 1 21,-1.8 2,-1.2 -2,-0.6 3,-0.4 -0.806 18.1 176.2-131.0 96.2 41.6 52.1 141.1 61 60 A S E +c 43 0A 0 -19,-2.6 -17,-1.0 -2,-0.5 4,-0.1 -0.614 46.8 108.1 -95.7 75.9 44.8 52.2 139.0 62 61 A D S S+ 0 0 0 -2,-1.2 -1,-0.2 -19,-0.2 3,-0.2 0.532 81.6 32.0-124.9 -18.7 45.1 48.5 138.0 63 62 A E S S+ 0 0 8 1,-0.5 23,-0.7 -3,-0.4 2,-0.5 0.760 129.3 21.1-100.6 -72.3 44.3 48.5 134.3 64 63 A G S S- 0 0 0 19,-0.9 -1,-0.5 21,-0.3 19,-0.2 -0.866 95.2-123.1-101.7 129.5 45.5 51.9 132.9 65 64 A M + 0 0 18 -2,-0.5 -20,-0.1 -3,-0.2 2,-0.1 -0.938 62.0 30.4-130.2 152.3 48.1 53.6 135.1 66 65 A P - 0 0 29 0, 0.0 41,-2.7 0, 0.0 42,-1.8 0.582 47.6-170.5-102.3 173.3 48.8 56.0 136.6 67 66 A I E -df 45 108A 0 -23,-1.8 -21,-1.3 40,-0.2 2,-0.4 -0.922 12.4-166.5-115.0 135.2 46.0 58.0 138.2 68 67 A F E -df 46 109A 44 40,-1.7 42,-2.8 -2,-0.4 2,-0.6 -0.993 11.4-170.5-128.2 130.9 47.1 61.4 139.6 69 68 A V E -df 47 110A 1 -23,-3.0 -21,-1.7 -2,-0.4 42,-0.2 -0.962 23.9-141.1-123.6 109.3 45.1 63.6 141.9 70 69 A G > - 0 0 0 40,-3.1 3,-1.2 -2,-0.6 -22,-0.4 0.034 33.3 -62.2 -63.2 176.9 46.6 67.1 142.4 71 70 A D T 3 S+ 0 0 71 1,-0.2 42,-2.2 41,-0.1 43,-0.2 -0.239 114.3 6.2 -65.7 142.8 46.9 69.3 145.4 72 71 A R T 3 S+ 0 0 115 -23,-3.2 -1,-0.2 40,-0.2 132,-0.1 0.476 97.8 129.5 63.7 6.8 43.9 70.6 147.2 73 72 A S < - 0 0 1 -3,-1.2 -21,-1.0 -24,-0.2 2,-0.3 -0.142 45.1-142.2 -81.2 177.9 41.6 68.5 145.1 74 73 A N E -op 52 115C 0 40,-2.2 42,-2.4 -23,-0.2 2,-0.6 -0.973 15.4-158.1-152.4 140.2 38.8 66.3 146.3 75 74 A V E -op 53 116C 0 -23,-1.3 -21,-3.0 -2,-0.3 42,-0.1 -0.942 30.1-157.4-115.1 104.0 37.2 62.9 145.6 76 75 A Q > - 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