==== 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 28-MAY-04 1TG3 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.FISHER,J.A.HERNANDEZ PRADA,C.K.TU,D.DUDA,C.YOSHIOKA,H.AN, . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 21.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 2 0.8 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 0.4 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 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 6.2 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 1 0 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 RESIDUES PER ALPHA HELIX . 1 2 1 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 PARALLEL BRIDGES PER LADDER . 2 3 1 1 1 1 0 1 1 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 1 0 0 0 0 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 3 A H 0 0 197 0, 0.0 2,-0.3 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 122.0 12.9 -0.5 6.5 2 4 A H - 0 0 136 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.944 360.0 -53.1-157.9 176.4 10.1 0.1 9.0 3 5 A W + 0 0 75 -2,-0.3 2,-0.2 11,-0.1 7,-0.2 -0.141 61.8 132.4 -59.9 151.0 7.7 -1.6 11.4 4 6 A G - 0 0 13 5,-2.5 10,-0.1 2,-0.1 -1,-0.1 -0.811 64.9 -84.1-167.3-153.8 5.5 -4.5 10.4 5 7 A Y S S+ 0 0 33 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.113 82.3 112.9-122.8 20.4 4.4 -7.9 11.5 6 8 A G S > S- 0 0 26 1,-0.1 4,-0.9 4,-0.1 -2,-0.1 -0.179 83.5 -96.3 -84.1-178.7 7.3 -10.0 10.1 7 9 A K T 4 S+ 0 0 173 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.767 123.2 37.6 -69.9 -25.8 10.0 -11.9 11.9 8 10 A H T 4 S+ 0 0 141 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.568 129.8 27.3-103.8 -11.2 12.5 -9.0 11.6 9 11 A N T 4 S+ 0 0 46 -3,-0.1 -5,-2.5 -6,-0.1 -2,-0.2 0.143 91.9 128.2-135.5 18.9 10.2 -6.0 12.1 10 12 A G S >X S- 0 0 0 -4,-0.9 3,-2.8 -5,-0.2 4,-0.9 0.026 78.7 -75.9 -71.7-179.9 7.4 -7.5 14.2 11 13 A P T 34 S+ 0 0 22 0, 0.0 4,-0.4 0, 0.0 3,-0.4 0.768 126.9 63.3 -45.6 -36.4 5.8 -6.3 17.6 12 14 A E T 34 S+ 0 0 106 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.678 107.3 44.2 -67.2 -16.1 8.8 -7.6 19.5 13 15 A H T X4 S+ 0 0 56 -3,-2.8 3,-2.0 1,-0.1 4,-0.5 0.634 86.5 90.6-100.7 -20.2 11.0 -5.0 17.7 14 16 A W G >X S+ 0 0 4 -4,-0.9 4,-2.5 -3,-0.4 3,-1.0 0.764 72.8 70.4 -49.6 -34.3 8.7 -2.0 17.9 15 17 A H G 34 S+ 0 0 68 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.740 88.2 65.2 -59.6 -23.8 10.2 -0.7 21.2 16 18 A K G <4 S+ 0 0 132 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.873 116.9 25.0 -68.5 -35.8 13.5 0.2 19.4 17 19 A D T <4 S+ 0 0 100 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.679 134.2 37.7 -98.1 -22.0 11.8 2.9 17.3 18 20 A F >< - 0 0 55 -4,-2.5 3,-2.4 1,-0.1 -1,-0.2 -0.747 64.1-175.0-134.1 84.8 8.9 3.6 19.7 19 21 A P G > S+ 0 0 100 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.734 78.8 74.4 -49.5 -30.2 10.0 3.4 23.4 20 22 A I G > S+ 0 0 56 1,-0.3 3,-2.8 2,-0.2 -5,-0.1 0.634 70.4 89.8 -63.8 -9.9 6.4 3.9 24.6 21 23 A A G < S+ 0 0 6 -3,-2.4 -1,-0.3 1,-0.3 -6,-0.1 0.739 90.8 45.7 -57.6 -22.0 5.9 0.2 23.5 22 24 A K G < S+ 0 0 141 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.068 94.4 132.1-107.9 22.2 7.0 -0.6 27.0 23 25 A G S < S- 0 0 18 -3,-2.8 3,-0.4 1,-0.1 -3,-0.0 0.149 70.1-102.0 -66.0-175.3 4.7 2.0 28.6 24 26 A E S S+ 0 0 112 1,-0.2 226,-0.2 225,-0.1 -1,-0.1 0.609 112.2 35.1 -87.0 -16.6 2.3 1.9 31.5 25 27 A R S S+ 0 0 46 168,-0.1 -1,-0.2 224,-0.1 2,-0.2 -0.297 79.2 154.2-136.4 55.4 -1.0 1.7 29.6 26 28 A Q - 0 0 4 -3,-0.4 220,-0.1 221,-0.3 170,-0.1 -0.477 33.1-102.6 -83.7 152.8 -0.3 -0.4 26.4 27 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.890 76.8 43.6-126.8 158.7 -2.9 -2.4 24.5 28 30 A P + 0 0 0 0, 0.0 218,-3.2 0, 0.0 2,-0.3 0.577 64.5 174.0 -81.2 180.0 -4.1 -5.0 23.8 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.5 -0.911 36.9 -99.2-141.6 165.7 -4.5 -6.9 27.1 30 32 A D E -a 106 0A 32 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.778 34.0-137.2 -89.6 133.1 -6.0 -10.2 28.2 31 33 A I E -a 107 0A 0 75,-3.4 77,-2.5 -2,-0.5 2,-1.0 -0.818 11.3-158.8 -94.6 107.5 -9.4 -9.7 29.7 32 34 A D >> - 0 0 66 -2,-0.8 3,-1.6 75,-0.2 4,-1.4 -0.780 3.9-159.9 -85.9 105.5 -9.7 -11.8 32.9 33 35 A T T 34 S+ 0 0 46 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.706 88.2 51.7 -60.5 -23.4 -13.5 -12.1 33.3 34 36 A H T 34 S+ 0 0 168 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.522 112.1 45.4 -92.4 -6.3 -13.3 -13.0 36.9 35 37 A T T <4 S+ 0 0 94 -3,-1.6 -2,-0.2 2,-0.1 218,-0.2 0.562 88.8 101.1-107.6 -16.9 -11.0 -10.1 37.8 36 38 A A S < S- 0 0 18 -4,-1.4 2,-0.5 216,-0.1 218,-0.2 -0.456 70.9-132.4 -68.8 139.9 -13.0 -7.5 35.9 37 39 A K E -c 254 0B 133 216,-2.2 218,-2.5 -2,-0.1 2,-0.3 -0.843 7.9-127.4-104.2 131.4 -15.2 -5.4 38.2 38 40 A Y E -c 255 0B 89 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.561 23.7-158.4 -70.1 127.6 -18.8 -4.6 37.6 39 41 A D > - 0 0 35 216,-2.3 3,-1.9 -2,-0.3 -1,-0.1 -0.902 11.2-165.6-116.2 103.9 -19.3 -0.9 37.8 40 42 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.674 87.3 63.1 -57.9 -20.5 -23.0 0.1 38.5 41 43 A S T 3 S+ 0 0 93 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.564 75.4 108.9 -85.0 -8.6 -22.1 3.7 37.6 42 44 A L < - 0 0 29 -3,-1.9 3,-0.1 213,-0.2 -3,-0.0 -0.553 63.8-140.5 -72.2 126.4 -21.2 2.9 34.0 43 45 A K - 0 0 135 37,-0.9 39,-0.1 -2,-0.4 3,-0.1 -0.379 26.3 -90.9 -82.9 162.2 -23.9 4.2 31.6 44 46 A P - 0 0 109 0, 0.0 36,-1.3 0, 0.0 2,-0.1 -0.402 49.5-100.2 -70.1 151.5 -25.1 2.3 28.5 45 47 A L E -D 79 0B 17 141,-0.3 2,-0.6 34,-0.2 34,-0.2 -0.468 29.1-148.3 -71.6 145.2 -23.3 3.0 25.3 46 48 A S E -D 78 0B 59 32,-2.7 32,-2.2 -2,-0.1 2,-0.7 -0.933 15.6-175.5-118.2 104.8 -24.9 5.4 22.9 47 49 A V E +D 77 0B 37 -2,-0.6 2,-0.7 30,-0.2 30,-0.2 -0.895 5.2 179.5-106.0 111.2 -24.2 4.6 19.3 48 50 A S E +D 76 0B 45 28,-2.6 28,-2.0 -2,-0.7 3,-0.2 -0.823 24.3 140.9-113.3 90.2 -25.6 7.1 16.8 49 51 A Y > + 0 0 3 -2,-0.7 3,-1.5 26,-0.2 130,-0.2 0.192 33.4 108.8-113.0 13.3 -24.6 6.0 13.3 50 52 A D T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.797 86.3 40.7 -62.5 -28.2 -27.7 6.8 11.3 51 53 A Q T 3 S+ 0 0 128 23,-0.9 -1,-0.3 -3,-0.2 24,-0.2 0.175 83.5 145.0-105.7 17.9 -26.1 9.7 9.5 52 54 A A < - 0 0 24 -3,-1.5 2,-0.5 22,-0.2 18,-0.1 -0.245 32.8-160.4 -58.5 138.9 -22.7 8.0 8.9 53 55 A T - 0 0 47 16,-0.3 16,-2.5 122,-0.1 2,-0.1 -0.872 2.7-162.0-127.1 98.6 -21.0 8.9 5.6 54 56 A S E +E 68 0B 0 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.467 12.1 175.4 -75.1 151.5 -18.4 6.4 4.5 55 57 A L E - 0 0 83 12,-3.2 118,-2.2 1,-0.4 2,-0.3 0.704 50.2 -9.2-123.5 -48.1 -16.0 7.8 1.8 56 58 A R E -EF 67 172B 89 11,-1.0 11,-3.3 116,-0.3 -1,-0.4 -0.958 43.5-139.6-154.0 165.6 -13.2 5.4 0.9 57 59 A I E -EF 66 171B 0 114,-2.0 114,-2.2 -2,-0.3 2,-0.4 -0.997 28.0-178.7-130.5 133.8 -11.4 2.2 1.7 58 60 A L E -EF 65 170B 29 7,-2.2 7,-2.3 -2,-0.4 2,-0.8 -0.996 30.3-135.4-141.7 144.9 -7.6 2.0 1.5 59 61 A N E +E 64 0B 1 110,-2.9 109,-3.2 -2,-0.4 5,-0.2 -0.854 25.4 175.7 -93.8 110.9 -4.9 -0.6 2.0 60 62 A H - 0 0 73 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.247 53.8-100.5-102.3 13.5 -2.2 1.2 4.0 61 63 A G S S+ 0 0 12 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.008 115.6 56.6 98.4 -31.0 0.1 -1.7 4.5 62 64 A H S S- 0 0 11 1,-0.4 2,-0.3 -58,-0.1 -1,-0.1 0.560 126.3 -37.9-107.4 -15.6 -0.8 -2.8 8.0 63 65 A A S S- 0 0 3 165,-0.1 -3,-2.0 31,-0.1 -2,-0.5 -0.932 70.7 -84.4 177.3-172.4 -4.5 -3.3 7.4 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 -5,-0.2 2,-0.4 -0.968 35.4-151.9-120.9 137.5 -7.3 -1.7 5.4 65 67 A N E -E 58 0B 20 -7,-2.3 -7,-2.2 -2,-0.4 2,-0.7 -0.876 9.3-150.4-109.7 136.9 -9.3 1.3 6.7 66 68 A V E -EG 57 91B 0 25,-2.6 25,-1.4 -2,-0.4 2,-0.3 -0.960 29.2-150.7-101.6 107.3 -12.8 2.3 5.8 67 69 A E E -EG 56 90B 53 -11,-3.3 -12,-3.2 -2,-0.7 -11,-1.0 -0.703 11.4-162.7 -88.1 146.1 -12.8 6.1 6.2 68 70 A F E -E 54 0B 8 21,-2.5 2,-0.7 -2,-0.3 -14,-0.2 -0.822 31.9 -99.3-121.1 158.6 -15.7 8.3 7.2 69 71 A D + 0 0 35 -16,-2.5 -16,-0.3 -2,-0.3 5,-0.3 -0.679 39.7 174.6 -77.6 115.1 -16.5 12.0 6.9 70 72 A D + 0 0 44 -2,-0.7 -1,-0.1 1,-0.2 17,-0.1 -0.113 46.3 106.8-114.6 35.5 -15.7 13.4 10.4 71 73 A S S S+ 0 0 75 56,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.519 89.6 19.1 -88.7 -7.2 -16.2 17.1 9.6 72 74 A Q S S- 0 0 116 -3,-0.3 2,-2.4 3,-0.0 3,-0.5 -0.943 99.1 -83.9-151.6 167.6 -19.5 17.1 11.6 73 75 A D S S+ 0 0 91 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.396 76.2 130.1 -77.9 66.6 -21.2 15.0 14.2 74 76 A K S S+ 0 0 56 -2,-2.4 -23,-0.9 1,-0.3 2,-0.5 0.886 76.2 21.7 -84.6 -45.4 -22.7 12.5 11.7 75 77 A A S S+ 0 0 7 -3,-0.5 13,-2.7 -6,-0.2 2,-0.3 -0.941 85.1 165.5-127.7 107.9 -21.6 9.3 13.4 76 78 A V E -DH 48 87B 7 -28,-2.0 -28,-2.6 -2,-0.5 2,-0.4 -0.889 31.0-146.8-130.6 159.3 -20.8 9.5 17.1 77 79 A L E +DH 47 86B 0 9,-2.7 9,-2.0 -2,-0.3 2,-0.3 -0.969 29.5 157.4-120.7 131.3 -20.3 7.5 20.2 78 80 A K E +D 46 0B 93 -32,-2.2 -32,-2.7 -2,-0.4 7,-0.1 -0.858 37.0 36.1-142.0 176.8 -21.4 8.8 23.6 79 81 A G E > S+D 45 0B 15 5,-0.3 3,-1.9 -2,-0.3 -34,-0.2 -0.312 71.7 85.8 74.9-158.8 -22.2 7.4 27.0 80 82 A G T 3 S- 0 0 8 -36,-1.3 -37,-0.9 1,-0.3 -1,-0.1 -0.393 118.9 -28.2 61.6-137.6 -20.5 4.5 28.6 81 83 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.412 114.7 112.7 -89.4 2.6 -17.3 5.6 30.4 82 84 A L < - 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