==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-MAR-11 3R1W . COMPND 2 MOLECULE: CARBONIC ANHYDRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: UNIDENTIFIED; . AUTHOR P.PETIT,X.XU,H.CUI,G.BROWN,A.DONG,A.SAVCHENKO,A.F.YAKUNIN . 542 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 445 82.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 180 33.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 57 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 39 9 0 0 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 PARALLEL BRIDGES PER LADDER . 7 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 3 0 0 0 3 0 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 10 A T 0 0 112 0, 0.0 3,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 31.3 2.9 55.7 37.4 2 11 A S + 0 0 19 1,-0.2 23,-2.7 177,-0.1 2,-0.4 0.658 360.0 45.0 -81.8 -19.0 1.9 54.5 40.8 3 12 A V E S-a 25 0A 54 21,-0.2 2,-0.4 16,-0.1 -1,-0.2 -0.888 83.6-171.1-130.2 102.0 -1.8 55.0 40.0 4 13 A R E -a 26 0A 10 21,-3.5 23,-2.7 -2,-0.4 2,-0.3 -0.783 22.8-134.7-112.6 133.2 -2.6 53.6 36.5 5 14 A T - 0 0 63 -2,-0.4 2,-0.4 21,-0.2 5,-0.2 -0.595 24.2-164.6 -75.0 137.9 -5.6 53.7 34.3 6 15 A Y B > -L 9 0B 4 3,-2.7 3,-2.1 -2,-0.3 531,-0.1 -0.975 67.2 -19.8-132.8 118.0 -6.5 50.3 32.8 7 16 A Q T 3 S- 0 0 102 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.903 129.7 -49.7 50.5 44.7 -8.8 49.9 29.8 8 17 A G T 3 S+ 0 0 69 1,-0.2 2,-0.6 19,-0.0 -1,-0.3 0.371 114.3 118.5 81.2 -5.6 -10.3 53.3 30.5 9 18 A I B < -L 6 0B 72 -3,-2.1 -3,-2.7 -5,-0.0 18,-0.3 -0.852 45.1-165.1 -98.8 122.5 -10.8 52.6 34.3 10 19 A S - 0 0 69 -2,-0.6 -5,-0.2 -5,-0.2 16,-0.1 -0.875 29.7-102.4-107.0 137.1 -8.9 54.8 36.7 11 20 A P - 0 0 16 0, 0.0 2,-0.6 0, 0.0 19,-0.2 -0.250 34.5-132.7 -51.8 140.5 -8.5 54.0 40.4 12 21 A K E -b 30 0A 67 17,-2.5 19,-2.9 0, 0.0 2,-0.4 -0.902 22.3-164.3-102.8 118.8 -10.9 56.1 42.6 13 22 A L E -b 31 0A 75 -2,-0.6 19,-0.2 17,-0.2 3,-0.1 -0.883 5.7-146.6-109.3 132.9 -9.2 57.7 45.5 14 23 A G > - 0 0 23 17,-2.0 3,-1.0 -2,-0.4 2,-0.2 0.034 48.3 -48.2 -78.0-166.0 -11.0 59.2 48.5 15 24 A E T 3 S- 0 0 121 1,-0.2 19,-2.7 19,-0.0 20,-0.2 -0.459 120.2 -3.0 -71.6 133.4 -10.0 62.2 50.6 16 25 A R T 3 S+ 0 0 130 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.773 84.2 169.5 62.3 29.1 -6.4 62.4 51.9 17 26 A V < - 0 0 18 -3,-1.0 2,-0.6 17,-0.1 19,-0.2 -0.563 23.0-148.3 -73.2 135.7 -5.4 59.0 50.4 18 27 A F E +m 36 0C 0 17,-2.4 19,-2.6 -2,-0.3 2,-0.5 -0.934 19.8 173.9-105.4 121.7 -1.7 58.3 50.5 19 28 A V E -m 37 0C 7 -2,-0.6 19,-0.2 17,-0.2 -17,-0.1 -0.968 31.5-128.2-122.4 115.3 -0.2 56.2 47.8 20 29 A D > - 0 0 0 17,-2.7 3,-1.9 -2,-0.5 159,-0.2 -0.288 18.3-122.4 -59.2 144.7 3.6 55.9 47.9 21 30 A R T 3 S+ 0 0 73 157,-2.5 -1,-0.2 1,-0.3 158,-0.1 0.716 111.8 56.1 -61.9 -19.3 5.2 56.8 44.5 22 31 A S T 3 S+ 0 0 24 156,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.481 90.2 90.4 -92.0 -5.0 6.9 53.3 44.6 23 32 A S < - 0 0 1 -3,-1.9 2,-0.5 14,-0.2 19,-0.2 -0.444 70.0-136.4 -86.1 168.3 3.6 51.4 44.9 24 33 A V E + c 0 42A 4 17,-2.6 19,-2.7 -2,-0.1 2,-0.5 -0.951 22.1 175.9-132.2 112.8 1.6 50.2 41.9 25 34 A I E -ac 3 43A 0 -23,-2.7 -21,-3.5 -2,-0.5 2,-0.4 -0.976 12.1-170.9-117.9 125.9 -2.2 50.5 41.7 26 35 A I E -ac 4 44A 0 17,-2.4 19,-2.5 -2,-0.5 2,-0.2 -0.963 36.0 -45.7-126.0 126.4 -3.9 49.4 38.5 27 36 A G E S+ c 0 45A 0 -23,-2.7 2,-2.2 -2,-0.4 19,-0.2 -0.367 109.2 29.7 78.1-130.5 -7.4 49.7 37.1 28 37 A D E S+ 0 0 56 17,-2.5 22,-2.5 20,-0.2 2,-0.4 -0.452 81.7 131.2 -83.1 71.0 -10.7 49.1 38.9 29 38 A V E - c 0 50A 1 -2,-2.2 -17,-2.5 20,-0.2 2,-0.4 -0.990 35.7-167.2-125.9 129.5 -9.6 49.9 42.5 30 39 A E E -bc 12 51A 97 20,-2.3 22,-2.8 -2,-0.4 2,-0.5 -0.971 2.9-167.9-116.6 131.1 -11.4 52.2 44.9 31 40 A L E -bc 13 52A 5 -19,-2.9 -17,-2.0 -2,-0.4 22,-0.2 -0.978 17.1-134.3-118.8 126.0 -9.7 53.4 48.1 32 41 A G > - 0 0 18 20,-1.9 3,-1.5 21,-0.7 -18,-0.3 -0.058 44.6 -61.1 -68.9 173.0 -11.8 55.1 50.9 33 42 A D T 3 S+ 0 0 70 1,-0.2 22,-2.5 -20,-0.1 23,-0.2 -0.244 119.6 11.3 -56.5 141.2 -10.9 58.3 52.7 34 43 A D T 3 S+ 0 0 22 -19,-2.7 -1,-0.2 1,-0.2 136,-0.1 0.574 88.2 147.6 67.5 14.6 -7.7 58.3 54.7 35 44 A C < - 0 0 2 -3,-1.5 -17,-2.4 -20,-0.2 2,-0.4 -0.408 32.0-153.4 -70.7 155.0 -6.4 55.0 53.3 36 45 A S E -mn 18 57C 2 20,-2.2 22,-2.6 -19,-0.2 2,-0.5 -0.998 12.7-165.6-136.5 138.5 -2.7 54.5 52.9 37 46 A V E -mn 19 58C 1 -19,-2.6 -17,-2.7 -2,-0.4 22,-0.2 -0.990 23.8-149.0-125.5 121.1 -0.7 52.3 50.5 38 47 A W > - 0 0 0 20,-2.6 3,-1.4 -2,-0.5 23,-0.3 -0.231 34.5 -52.3 -98.2 172.0 2.9 51.9 51.5 39 48 A P T 3 S- 0 0 0 0, 0.0 22,-1.4 0, 0.0 -1,-0.2 -0.082 116.9 -0.5 -49.3 132.8 6.2 51.4 49.6 40 49 A L T 3 S+ 0 0 15 1,-0.2 2,-0.3 20,-0.2 -17,-0.2 0.734 89.7 141.1 63.9 29.1 6.3 48.6 47.0 41 50 A A < - 0 0 0 -3,-1.4 -17,-2.6 20,-0.2 2,-0.4 -0.730 38.7-147.6 -93.1 152.3 2.8 47.3 47.5 42 51 A V E +cd 24 63A 0 20,-2.6 22,-2.7 -2,-0.3 2,-0.5 -0.980 17.8 179.6-124.1 130.3 0.7 46.2 44.5 43 52 A I E -cd 25 64A 0 -19,-2.7 -17,-2.4 -2,-0.4 2,-0.8 -0.900 13.6-175.1-127.3 100.0 -3.0 46.5 44.1 44 53 A R E +c 26 0A 0 20,-2.4 2,-0.8 -2,-0.5 22,-0.3 -0.801 13.9 171.2-110.7 97.5 -3.9 45.1 40.7 45 54 A G E +c 27 0A 1 -19,-2.5 -17,-2.5 -2,-0.8 5,-0.1 -0.500 38.9 116.3-100.6 63.1 -7.6 45.4 39.7 46 55 A D E S+ 0 0 17 -2,-0.8 -1,-0.2 -19,-0.2 -18,-0.0 0.928 79.5 29.5 -91.7 -59.4 -7.4 44.3 36.1 47 56 A M E S+ 0 0 42 -3,-0.3 22,-0.4 19,-0.1 2,-0.3 0.485 134.9 3.8 -85.5 -4.8 -9.5 41.1 35.8 48 57 A H E S- 0 0 42 -4,-0.1 -20,-0.2 20,-0.1 2,-0.2 -0.946 87.5 -84.9-164.5 173.8 -11.9 42.0 38.6 49 58 A H E - 0 0 69 -2,-0.3 30,-2.0 -22,-0.1 2,-0.4 -0.589 26.6-156.5 -96.8 155.2 -12.6 44.9 41.0 50 59 A I E -ce 29 79A 2 -22,-2.5 -20,-2.3 -2,-0.2 2,-0.4 -0.996 7.9-172.3-128.2 132.4 -11.0 45.8 44.3 51 60 A R E -ce 30 80A 118 28,-2.7 30,-3.1 -2,-0.4 2,-0.4 -0.992 0.8-173.3-129.7 126.2 -12.7 48.0 47.0 52 61 A I E -ce 31 81A 3 -22,-2.8 -20,-1.9 -2,-0.4 30,-0.2 -0.976 17.1-137.5-121.7 133.3 -11.0 49.2 50.2 53 62 A G > - 0 0 12 28,-1.9 -21,-0.7 29,-0.8 3,-0.6 0.185 38.5 -59.9 -75.4-165.3 -12.8 51.0 52.9 54 63 A A T 3 S+ 0 0 16 1,-0.2 30,-2.4 -23,-0.1 31,-0.3 -0.496 110.0 10.0 -83.9 147.6 -11.9 54.1 55.0 55 64 A R T 3 S+ 0 0 96 -22,-2.5 2,-0.4 1,-0.2 -1,-0.2 0.811 89.7 142.4 62.0 33.0 -8.8 54.4 57.3 56 65 A T < - 0 0 1 -3,-0.6 -20,-2.2 -23,-0.2 2,-0.4 -0.870 39.0-148.5-110.7 137.1 -7.2 51.2 56.0 57 66 A S E -no 36 86C 1 28,-2.1 30,-2.2 -2,-0.4 2,-0.5 -0.852 8.7-163.7-105.2 142.3 -3.5 50.6 55.5 58 67 A V E -no 37 87C 2 -22,-2.6 -20,-2.6 -2,-0.4 30,-0.1 -0.920 32.2-146.7-119.6 99.6 -2.0 48.4 52.9 59 68 A Q > - 0 0 11 28,-2.5 3,-1.9 -2,-0.5 31,-0.3 -0.035 29.6 -53.6 -81.4 174.1 1.6 48.0 54.1 60 69 A D T 3 S+ 0 0 0 1,-0.3 30,-2.6 29,-0.2 -20,-0.2 -0.029 117.7 2.1 -50.9 129.5 5.0 47.6 52.4 61 70 A G T 3 S+ 0 0 18 -22,-1.4 -1,-0.3 -23,-0.3 -20,-0.2 0.544 89.1 146.7 76.1 8.0 5.4 44.8 49.9 62 71 A S < - 0 0 0 -3,-1.9 -20,-2.6 -23,-0.2 2,-0.4 -0.418 35.5-151.5 -71.6 150.3 1.8 43.6 50.2 63 72 A V E -df 42 92A 3 28,-2.4 30,-2.5 -22,-0.2 2,-0.5 -0.995 11.2-173.8-125.9 127.6 0.2 42.2 47.0 64 73 A L E +df 43 93A 0 -22,-2.7 -20,-2.4 -2,-0.4 2,-0.2 -0.981 20.6 147.2-120.3 121.3 -3.6 42.5 46.5 65 74 A H E - f 0 94A 1 28,-2.5 30,-2.3 -2,-0.5 2,-0.2 -0.808 28.9-138.3-145.1-174.0 -5.2 40.7 43.6 66 75 A I - 0 0 2 -22,-0.3 2,-0.4 28,-0.3 -19,-0.1 -0.761 21.3-105.8-141.6 176.3 -8.3 38.9 42.3 67 76 A T B -T 77 0D 15 10,-2.0 10,-2.2 -2,-0.2 2,-0.1 -0.963 31.6-125.4-119.9 132.1 -9.4 35.9 40.3 68 77 A H - 0 0 27 -2,-0.4 2,-0.4 8,-0.2 8,-0.3 -0.359 29.8-104.9 -75.1 152.0 -10.9 36.2 36.8 69 78 A A + 0 0 55 -22,-0.4 2,-0.3 6,-0.3 -1,-0.1 -0.636 60.0 132.2 -79.7 126.9 -14.3 34.7 36.0 70 79 A S S S- 0 0 17 3,-1.1 3,-0.4 -2,-0.4 6,-0.3 -0.931 74.5 -82.3-156.2 176.5 -14.1 31.5 34.0 71 80 A D S S+ 0 0 160 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.828 131.7 55.5 -54.2 -31.4 -15.6 28.0 33.9 72 81 A Y S S+ 0 0 77 1,-0.3 -1,-0.2 446,-0.0 -3,-0.1 0.847 128.0 15.2 -71.1 -36.6 -12.8 27.3 36.4 73 82 A N S > S- 0 0 41 -3,-0.4 3,-2.3 -5,-0.1 -3,-1.1 -0.637 86.1-148.9-136.5 78.0 -14.1 30.1 38.7 74 83 A P T 3 S+ 0 0 108 0, 0.0 -3,-0.1 0, 0.0 -5,-0.1 -0.236 85.1 3.1 -52.8 126.0 -17.6 31.1 37.6 75 84 A G T 3 S- 0 0 55 2,-0.1 -6,-0.3 0, 0.0 -4,-0.1 0.106 104.4-129.0 85.9 -22.1 -18.0 34.8 38.4 76 85 A G < - 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