==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 23-JUL-09 3IEO . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.TEMPERINI,A.INNOCENTI,A.SCOZZAFAVA,S.PARKKILA,C.T.SUPURAN . 257 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11851.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 65.0 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 . 57 22.2 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 . 2 0.8 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 . 18 7.0 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 2 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 4 A H 0 0 215 0, 0.0 7,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.1 9.9 0.1 8.5 2 5 A W + 0 0 70 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.009 360.0 134.5 -50.9 139.9 7.5 -1.4 11.1 3 6 A G - 0 0 12 5,-2.7 10,-0.1 2,-0.2 -1,-0.1 -0.667 62.9 -90.6-152.2-145.6 5.4 -4.5 10.3 4 7 A Y S S+ 0 0 34 5,-0.2 5,-0.2 -2,-0.2 237,-0.1 0.183 84.0 103.7-125.7 10.6 4.3 -7.9 11.8 5 8 A G S > S- 0 0 28 4,-0.1 4,-1.2 1,-0.1 3,-0.2 -0.217 87.9 -89.0 -87.2-178.6 7.1 -10.1 10.4 6 9 A K T 4 S+ 0 0 177 1,-0.2 3,-0.2 2,-0.2 5,-0.1 0.882 123.4 40.4 -55.2 -41.5 10.2 -11.6 12.2 7 10 A H T 4 S+ 0 0 162 1,-0.2 -1,-0.2 4,-0.0 -5,-0.0 0.736 131.4 20.0 -91.8 -13.3 12.5 -8.6 11.5 8 11 A N T 4 S+ 0 0 59 -3,-0.2 -5,-2.7 -6,-0.1 -1,-0.2 0.168 93.5 119.8-138.4 19.6 10.1 -5.7 12.1 9 12 A G S >X S- 0 0 2 -4,-1.2 3,-2.8 -5,-0.2 4,-0.7 0.058 83.5 -66.5 -90.4-170.7 7.2 -7.0 14.2 10 13 A P T 34 S+ 0 0 28 0, 0.0 4,-0.3 0, 0.0 3,-0.1 0.647 127.9 63.4 -52.6 -19.5 5.8 -6.1 17.6 11 14 A E T 34 S+ 0 0 142 1,-0.2 -5,-0.0 2,-0.1 -7,-0.0 0.610 108.4 42.2 -80.5 -8.8 9.0 -7.4 19.4 12 15 A H T X> S+ 0 0 62 -3,-2.8 3,-1.7 1,-0.1 4,-0.5 0.557 87.1 91.8-109.4 -13.4 11.0 -4.6 17.6 13 16 A W H 3X S+ 0 0 7 -4,-0.7 4,-2.8 1,-0.3 3,-0.4 0.760 72.4 69.5 -63.6 -31.7 8.6 -1.6 17.9 14 17 A H H 34 S+ 0 0 69 -4,-0.3 -1,-0.3 1,-0.2 6,-0.1 0.769 87.7 67.4 -56.2 -29.5 10.1 -0.3 21.1 15 18 A K H <4 S+ 0 0 130 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.931 118.0 20.9 -62.9 -50.9 13.3 0.7 19.3 16 19 A D H < S+ 0 0 121 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.765 136.0 40.1 -79.1 -30.6 11.6 3.4 17.2 17 20 A F >< - 0 0 57 -4,-2.8 3,-2.1 1,-0.1 -1,-0.2 -0.796 65.3-177.3-129.9 83.9 8.6 3.8 19.5 18 21 A P G > S+ 0 0 100 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.691 76.1 76.5 -52.5 -26.9 9.8 3.6 23.2 19 22 A I G > + 0 0 60 1,-0.3 3,-2.3 2,-0.2 -5,-0.1 0.614 69.0 88.3 -68.9 -6.9 6.2 3.9 24.4 20 23 A A G < S+ 0 0 9 -3,-2.1 -1,-0.3 1,-0.3 -6,-0.1 0.772 92.3 44.6 -61.5 -25.8 5.8 0.3 23.4 21 24 A K G < S+ 0 0 145 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.2 -0.001 97.2 132.6-102.3 23.9 7.0 -0.5 26.9 22 25 A G < - 0 0 15 -3,-2.3 3,-0.5 1,-0.1 -3,-0.0 0.062 69.5-106.8 -75.9-175.9 4.7 2.2 28.3 23 26 A E S S+ 0 0 125 1,-0.2 227,-0.1 169,-0.0 -1,-0.1 0.570 110.9 36.5 -95.0 -9.3 2.3 2.1 31.2 24 27 A R S S+ 0 0 46 2,-0.0 -1,-0.2 168,-0.0 2,-0.1 -0.225 82.1 155.4-137.6 46.1 -1.1 2.1 29.3 25 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.448 30.6-101.0 -78.2 150.1 -0.4 -0.1 26.3 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.1 -2,-0.0 -0.849 76.0 38.0-127.8 158.9 -2.9 -2.1 24.3 27 30 A P - 0 0 0 0, 0.0 218,-2.3 0, 0.0 2,-0.3 0.590 67.1-178.7 -77.8-179.2 -4.2 -4.6 23.5 28 31 A V - 0 0 1 216,-0.3 77,-1.5 -2,-0.2 2,-0.4 -0.916 33.4 -99.7-133.8 165.4 -4.7 -6.5 26.8 29 32 A D E -a 105 0A 31 216,-0.4 2,-1.0 -2,-0.3 77,-0.2 -0.720 33.8-137.2 -79.8 134.9 -6.0 -9.8 28.0 30 33 A I E -a 106 0A 0 75,-3.8 77,-2.6 -2,-0.4 2,-1.3 -0.791 12.6-160.2 -93.4 97.6 -9.5 -9.4 29.5 31 34 A D >> - 0 0 68 -2,-1.0 3,-1.5 1,-0.2 4,-1.3 -0.677 3.8-162.1 -78.7 100.7 -9.5 -11.5 32.6 32 35 A T T 34 S+ 0 0 44 -2,-1.3 -1,-0.2 1,-0.3 222,-0.0 0.727 85.2 54.9 -59.2 -26.4 -13.3 -11.8 33.0 33 36 A H T 34 S+ 0 0 165 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.635 110.9 43.9 -82.6 -12.5 -13.0 -12.8 36.7 34 37 A T T <4 S+ 0 0 106 -3,-1.5 -2,-0.2 2,-0.1 2,-0.2 0.564 90.0 98.2-104.6 -15.1 -11.0 -9.7 37.7 35 38 A A < - 0 0 19 -4,-1.3 2,-0.4 216,-0.1 218,-0.2 -0.514 68.0-139.7 -72.2 143.8 -13.0 -7.1 35.8 36 39 A K E -c 253 0B 126 216,-1.9 218,-2.9 -2,-0.2 2,-0.2 -0.894 11.5-118.0-113.4 137.2 -15.5 -5.3 38.0 37 40 A Y E -c 254 0B 126 -2,-0.4 218,-0.2 216,-0.2 151,-0.0 -0.511 32.0-149.3 -64.9 134.0 -19.1 -4.3 37.2 38 41 A D > - 0 0 19 216,-2.2 3,-1.5 -2,-0.2 -1,-0.1 -0.915 16.6-169.4-118.7 106.8 -19.2 -0.5 37.4 39 42 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.753 84.8 66.1 -61.7 -29.4 -22.5 1.1 38.5 40 43 A S T 3 S+ 0 0 81 2,-0.0 2,-0.4 40,-0.0 -2,-0.0 0.421 76.2 112.6 -75.2 1.1 -21.2 4.7 37.6 41 44 A L < - 0 0 32 -3,-1.5 3,-0.1 213,-0.1 38,-0.0 -0.620 61.7-141.0 -80.9 126.4 -21.1 3.8 33.9 42 45 A K E -D 79 0B 130 37,-1.2 37,-0.9 -2,-0.4 39,-0.1 -0.451 37.0 -84.3 -78.2 154.8 -23.7 5.6 31.7 43 46 A P E - 0 0 114 0, 0.0 36,-0.4 0, 0.0 -1,-0.1 -0.337 50.5-108.0 -65.2 145.6 -25.4 3.6 29.0 44 47 A L E - 0 0 24 34,-0.3 2,-0.4 141,-0.1 34,-0.2 -0.459 28.7-157.6 -71.9 146.3 -23.4 3.5 25.7 45 48 A S E +D 77 0B 33 32,-2.9 32,-2.1 -2,-0.1 2,-0.6 -0.958 14.2 175.6-129.3 109.4 -24.6 5.5 22.8 46 49 A V E -D 76 0B 29 -2,-0.4 2,-0.7 30,-0.2 30,-0.2 -0.956 4.4-179.6-116.5 110.2 -23.5 4.5 19.3 47 50 A S E +D 75 0B 42 28,-2.4 28,-1.6 -2,-0.6 3,-0.2 -0.813 20.1 148.1-118.8 89.8 -25.2 6.7 16.7 48 51 A Y > + 0 0 2 -2,-0.7 3,-1.1 26,-0.2 130,-0.3 0.261 38.2 103.9-106.2 8.4 -24.1 5.6 13.2 49 52 A D T 3 S+ 0 0 94 1,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.830 87.9 40.9 -63.0 -33.8 -27.3 6.4 11.2 50 53 A Q T 3 S+ 0 0 116 -3,-0.2 -1,-0.3 23,-0.2 24,-0.2 0.371 84.2 144.3 -95.7 5.3 -25.8 9.6 9.6 51 54 A A < - 0 0 18 -3,-1.1 2,-0.5 22,-0.2 123,-0.1 -0.038 35.8-156.2 -51.0 139.2 -22.4 8.1 9.0 52 55 A T - 0 0 49 16,-0.3 16,-3.5 122,-0.1 2,-0.2 -0.858 7.6-167.6-127.7 97.9 -20.7 9.2 5.9 53 56 A S E +E 67 0B 1 -2,-0.5 121,-0.6 14,-0.3 14,-0.3 -0.494 10.1 176.0 -80.3 149.3 -18.0 6.9 4.5 54 57 A L E - 0 0 73 12,-2.7 118,-2.6 1,-0.4 2,-0.3 0.724 52.1 -15.3-119.7 -45.8 -15.7 8.1 1.8 55 58 A R E -EF 66 171B 89 11,-0.9 11,-2.5 116,-0.3 2,-0.4 -0.955 45.1-124.0-161.4 168.0 -13.1 5.5 0.9 56 59 A I E -EF 65 170B 0 114,-2.3 114,-1.9 -2,-0.3 2,-0.4 -0.989 27.9-168.3-130.9 128.3 -11.2 2.4 1.6 57 60 A L E -EF 64 169B 34 7,-2.0 7,-2.8 -2,-0.4 2,-0.7 -0.988 22.6-147.6-126.5 128.1 -7.4 2.3 1.8 58 61 A N E -E 63 0B 0 110,-2.7 109,-2.9 -2,-0.4 5,-0.2 -0.874 21.3-179.6 -83.7 113.3 -4.8 -0.5 1.9 59 62 A N - 0 0 33 3,-1.8 4,-0.1 -2,-0.7 -1,-0.1 0.141 53.3-100.6-106.6 16.0 -2.1 1.2 4.0 60 63 A G S S+ 0 0 12 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.396 117.1 52.6 78.7 -1.5 0.2 -1.8 3.9 61 64 A H S S- 0 0 33 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.547 123.4 -24.9-125.9 -22.1 -0.8 -3.0 7.4 62 65 A A S S- 0 0 2 -5,-0.1 -3,-1.8 31,-0.1 -1,-0.6 -0.862 72.8 -91.1-163.0-174.5 -4.6 -3.2 7.4 63 66 A F E -E 58 0B 0 -2,-0.3 2,-0.5 29,-0.2 29,-0.4 -0.983 33.4-148.5-114.9 142.2 -7.4 -1.6 5.4 64 67 A N E -E 57 0B 4 -7,-2.8 -7,-2.0 -2,-0.4 2,-0.7 -0.913 8.7-159.0-109.2 123.6 -9.1 1.6 6.5 65 68 A V E -EG 56 90B 0 25,-3.0 25,-2.2 -2,-0.5 2,-0.3 -0.913 28.4-158.5 -93.3 117.5 -12.7 2.5 5.9 66 69 A E E -EG 55 89B 31 -11,-2.5 -12,-2.7 -2,-0.7 -11,-0.9 -0.750 6.5-155.8-108.2 145.9 -12.5 6.3 6.4 67 70 A F E -E 53 0B 9 21,-2.9 2,-0.8 -2,-0.3 -14,-0.3 -0.815 27.8-104.6-122.4 156.7 -15.4 8.6 7.2 68 71 A D + 0 0 49 -16,-3.5 -16,-0.3 -2,-0.3 5,-0.2 -0.755 39.8 172.9 -80.6 112.2 -16.2 12.3 6.7 69 72 A D + 0 0 41 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 0.024 45.4 107.8-112.0 25.1 -15.7 13.7 10.2 70 73 A S S S+ 0 0 87 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.341 87.5 33.5 -82.8 5.2 -16.0 17.4 9.4 71 74 A Q S S- 0 0 115 -3,-0.2 2,-1.7 3,-0.1 3,-0.2 -0.959 97.5 -92.9-155.3 164.6 -19.4 17.3 11.1 72 75 A D S S+ 0 0 90 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.346 76.6 116.3 -84.2 59.1 -21.1 15.4 14.1 73 76 A K + 0 0 42 -2,-1.7 2,-0.7 1,-0.3 -22,-0.2 0.886 67.5 36.8 -90.2 -90.7 -22.6 12.4 12.4 74 77 A A S S+ 0 0 7 -24,-0.2 13,-2.5 13,-0.2 2,-0.3 -0.563 84.6 167.8 -65.9 108.5 -21.3 9.0 13.4 75 78 A V E -DH 47 86B 13 -28,-1.6 -28,-2.4 -2,-0.7 2,-0.5 -0.958 30.2-155.2-128.7 149.5 -20.7 9.7 17.2 76 79 A L E +DH 46 85B 0 9,-2.5 9,-1.8 -2,-0.3 2,-0.2 -0.994 29.7 147.8-122.1 125.9 -20.0 7.5 20.3 77 80 A K E +D 45 0B 87 -32,-2.1 -32,-2.9 -2,-0.5 7,-0.1 -0.856 33.2 47.2-139.0-177.9 -20.9 8.8 23.8 78 81 A G E > S+ 0 0 17 5,-0.4 3,-2.0 3,-0.3 -34,-0.3 -0.230 74.2 75.7 81.3-170.8 -22.1 7.5 27.1 79 82 A G E 3 S-D 42 0B 3 -37,-0.9 -37,-1.2 -36,-0.4 -1,-0.2 -0.435 123.6 -21.7 67.5-136.9 -20.4 4.5 28.9 80 83 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.455 115.2 110.2 -85.7 6.4 -17.1 5.7 30.4 81 84 A L < - 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I 0 116B 17 25,-1.5 25,-2.1 -2,-0.3 2,-0.3 -0.923 25.0-123.7-157.2 170.1 -10.1 -1.4 10.2 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.2 -0.858 0.4-146.1-121.3 158.8 -9.6 -4.9 11.3 93 96 A H E + I 0 114B 2 21,-2.6 21,-2.6 -2,-0.3 2,-0.3 -0.984 33.9 172.7-113.6 135.8 -6.9 -7.1 12.8 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.1 19,-0.2 145,-1.0 -0.983 23.0-124.6-149.2 160.8 -7.0 -10.8 11.6 95 98 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.6 3,-0.1 -0.211 22.7-121.1 -99.5 177.9 -5.1 -14.0 11.7 96 99 A S S S+ 0 0 35 142,-0.2 2,-0.3 1,-0.1 5,-0.1 0.566 104.8 25.3 -88.4 -13.1 -3.7 -16.6 9.2 97 100 A L S > S- 0 0 108 3,-0.3 3,-1.4 15,-0.1 -2,-0.2 -0.902 92.1-106.4-146.3 161.7 -5.9 -19.2 10.7 98 101 A D T 3 S+ 0 0 68 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.690 111.1 69.4 -74.3 -20.5 -9.2 -19.0 12.6 99 102 A G T 3 S+ 0 0 62 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.438 106.6 34.8 -77.0 -0.3 -7.6 -19.8 16.0 100 103 A Q < + 0 0 59 -3,-1.4 -5,-0.6 12,-0.1 -3,-0.3 -0.967 67.7 92.2-147.7 163.0 -5.8 -16.4 16.0 101 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 -0.102 54.3 103.1 147.7 -43.1 -6.3 -12.9 14.9 102 105 A S - 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