==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-MAY-09 3HFP . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.TEMPERINI,C.T.SUPURAN . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 21.9 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 . 23 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 6.6 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 . 0 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 0 193 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.8 9.8 0.4 8.9 2 5 A W + 0 0 59 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.090 360.0 137.2 -55.7 146.4 7.5 -1.3 11.4 3 6 A G - 0 0 9 5,-2.9 10,-0.1 2,-0.2 -1,-0.1 -0.671 60.1 -86.9-156.3-144.0 5.4 -4.4 10.5 4 7 A Y S S+ 0 0 34 5,-0.2 5,-0.1 -2,-0.2 237,-0.1 0.295 82.7 101.4-127.6 5.3 4.3 -7.8 11.7 5 8 A G S >> S- 0 0 40 4,-0.1 4,-1.6 1,-0.1 3,-0.5 -0.261 90.0 -86.6 -88.6 177.2 7.1 -10.1 10.5 6 9 A K T 34 S+ 0 0 185 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.693 125.1 35.1 -48.6 -27.2 10.1 -11.7 12.3 7 10 A H T 34 S+ 0 0 156 1,-0.1 -1,-0.2 5,-0.0 -5,-0.0 0.579 129.1 26.2-115.4 -15.1 12.2 -8.5 11.8 8 11 A N T <4 S+ 0 0 54 -3,-0.5 -5,-2.9 -6,-0.1 -2,-0.2 0.226 96.1 122.4-131.4 7.6 9.9 -5.5 12.0 9 12 A G S >X S- 0 0 2 -4,-1.6 3,-2.7 -7,-0.2 4,-0.8 0.177 82.0 -70.7 -74.2-175.1 7.2 -7.0 14.3 10 13 A P T 34 S+ 0 0 27 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.737 128.1 58.0 -49.4 -30.1 5.7 -6.1 17.7 11 14 A E T 34 S+ 0 0 153 1,-0.2 -2,-0.1 2,-0.1 4,-0.1 0.537 107.9 46.0 -82.5 -4.8 8.9 -7.1 19.5 12 15 A H T X> S+ 0 0 62 -3,-2.7 3,-1.2 2,-0.1 4,-0.6 0.506 87.9 89.2-103.3 -11.6 11.1 -4.6 17.5 13 16 A W H 3X S+ 0 0 4 -4,-0.8 4,-2.7 -3,-0.3 3,-0.5 0.803 74.5 66.9 -61.7 -33.0 8.7 -1.6 17.9 14 17 A H H 34 S+ 0 0 69 -4,-0.3 -1,-0.3 1,-0.2 7,-0.1 0.787 88.5 66.5 -60.2 -32.2 10.2 -0.3 21.1 15 18 A K H <4 S+ 0 0 132 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.954 119.1 22.1 -56.2 -49.6 13.5 0.6 19.5 16 19 A D H < S+ 0 0 114 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.2 0.742 136.2 37.5 -85.5 -27.5 11.8 3.3 17.4 17 20 A F >< - 0 0 48 -4,-2.7 3,-2.0 -5,-0.2 -1,-0.2 -0.785 65.9-176.3-131.5 84.9 8.7 3.8 19.7 18 21 A P G > S+ 0 0 101 0, 0.0 3,-1.6 0, 0.0 -4,-0.1 0.651 76.3 75.0 -59.8 -22.7 9.8 3.5 23.4 19 22 A I G > S+ 0 0 62 1,-0.3 3,-2.7 179,-0.2 5,-0.2 0.647 71.5 90.9 -66.8 -11.8 6.2 3.9 24.7 20 23 A A G < S+ 0 0 6 -3,-2.0 -1,-0.3 1,-0.3 -6,-0.1 0.726 92.9 40.4 -45.2 -28.2 5.8 0.3 23.4 21 24 A K G < S+ 0 0 144 -3,-1.6 -1,-0.3 -7,-0.1 -2,-0.2 0.026 99.7 127.6-114.2 20.3 6.9 -0.7 27.0 22 25 A G S < S- 0 0 13 -3,-2.7 3,-0.4 1,-0.1 -3,-0.1 0.186 72.7 -95.3 -75.4-170.8 4.8 2.0 28.7 23 26 A E S S+ 0 0 127 1,-0.2 227,-0.3 169,-0.0 -1,-0.1 0.621 113.2 31.9 -85.5 -18.4 2.3 2.1 31.5 24 27 A R S S+ 0 0 48 -5,-0.2 -1,-0.2 168,-0.1 2,-0.1 -0.239 79.6 154.9-138.8 55.9 -1.0 1.9 29.5 25 28 A Q - 0 0 5 -3,-0.4 220,-0.2 221,-0.3 170,-0.1 -0.457 32.1-100.3 -85.1 153.2 -0.3 -0.2 26.4 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.1 -2,-0.1 -2,-0.0 -0.835 78.4 39.4-126.5 158.7 -2.9 -2.2 24.3 27 30 A P + 0 0 0 0, 0.0 218,-3.3 0, 0.0 2,-0.3 0.691 66.7 172.0 -77.6 179.4 -4.1 -4.7 23.7 28 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.1 2,-0.4 -0.913 38.2 -94.1-138.7 166.0 -4.4 -6.6 27.0 29 32 A D E -a 105 0A 27 216,-0.5 2,-1.0 -2,-0.3 77,-0.2 -0.736 31.9-140.5 -81.4 130.3 -6.0 -9.8 28.2 30 33 A I E -a 106 0A 1 75,-3.7 77,-2.5 -2,-0.4 2,-0.8 -0.836 11.6-158.6 -92.8 99.1 -9.5 -9.3 29.6 31 34 A D >> - 0 0 63 -2,-1.0 4,-1.9 75,-0.2 3,-0.9 -0.731 2.7-158.2 -73.7 108.4 -9.6 -11.6 32.7 32 35 A T T 34 S+ 0 0 45 -2,-0.8 -1,-0.2 1,-0.2 222,-0.0 0.775 90.4 52.3 -63.0 -24.9 -13.4 -12.0 33.0 33 36 A H T 34 S+ 0 0 160 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.634 111.6 43.6 -89.6 -14.3 -13.0 -12.9 36.7 34 37 A T T <4 S+ 0 0 106 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.700 91.3 98.6 -97.2 -27.2 -10.8 -9.9 37.6 35 38 A A < - 0 0 20 -4,-1.9 2,-0.5 218,-0.1 218,-0.2 -0.369 67.5-143.5 -60.9 137.4 -13.0 -7.3 35.7 36 39 A K E -c 253 0B 160 216,-1.8 218,-2.5 -2,-0.0 -1,-0.1 -0.915 13.7-117.2-112.4 130.6 -15.5 -5.5 38.0 37 40 A Y E -c 254 0B 121 -2,-0.5 218,-0.2 216,-0.2 151,-0.0 -0.394 31.0-146.7 -53.8 136.3 -19.0 -4.5 37.2 38 41 A D > - 0 0 17 216,-2.5 3,-1.1 1,-0.1 -1,-0.1 -0.935 15.6-169.4-118.1 108.0 -19.1 -0.7 37.4 39 42 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.766 84.3 61.7 -61.7 -28.5 -22.4 0.8 38.6 40 43 A S T 3 S+ 0 0 80 2,-0.0 2,-0.4 40,-0.0 39,-0.0 0.489 74.0 109.7 -83.6 -6.0 -21.4 4.4 37.7 41 44 A L < - 0 0 31 -3,-1.1 3,-0.1 213,-0.2 -3,-0.0 -0.630 64.4-141.8 -70.5 122.4 -21.0 3.7 34.0 42 45 A K - 0 0 142 37,-1.1 39,-0.1 -2,-0.4 -2,-0.0 -0.259 38.9 -74.2 -74.1 167.7 -23.9 5.4 32.1 43 46 A P - 0 0 114 0, 0.0 36,-0.9 0, 0.0 2,-0.2 -0.363 53.5-108.6 -68.4 154.4 -25.4 3.6 29.2 44 47 A L E -D 78 0B 25 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.580 27.1-155.2 -81.1 143.6 -23.4 3.5 26.0 45 48 A S E +D 77 0B 38 32,-3.1 32,-2.3 -2,-0.2 2,-0.6 -0.968 13.7 178.3-124.6 114.1 -24.5 5.6 23.0 46 49 A V E -D 76 0B 32 -2,-0.5 2,-0.8 30,-0.2 30,-0.2 -0.925 5.1-177.0-116.4 99.7 -23.5 4.6 19.5 47 50 A S E +D 75 0B 33 28,-2.5 28,-1.9 -2,-0.6 3,-0.1 -0.804 23.5 144.4-102.7 93.6 -25.1 7.0 16.9 48 51 A Y > + 0 0 3 -2,-0.8 3,-0.9 26,-0.2 130,-0.3 0.185 37.1 102.4-115.2 14.9 -24.2 5.8 13.4 49 52 A D T 3 S+ 0 0 88 1,-0.2 -1,-0.1 24,-0.1 25,-0.1 0.884 86.4 42.0 -65.5 -41.5 -27.4 6.7 11.4 50 53 A Q T 3 S+ 0 0 124 23,-0.9 -1,-0.2 -3,-0.1 24,-0.2 0.177 85.3 149.3 -93.2 17.9 -25.9 9.8 9.7 51 54 A A < - 0 0 18 -3,-0.9 2,-0.6 22,-0.2 123,-0.1 -0.259 32.0-160.9 -65.6 130.4 -22.5 8.2 9.0 52 55 A T - 0 0 44 16,-0.3 16,-3.1 122,-0.1 -1,-0.1 -0.812 7.3-172.6-117.7 87.6 -20.7 9.3 5.8 53 56 A S E +E 67 0B 0 -2,-0.6 121,-0.6 122,-0.5 14,-0.3 -0.388 5.6 177.5 -65.6 155.7 -18.0 6.8 4.7 54 57 A L E - 0 0 75 12,-2.6 118,-2.3 1,-0.4 119,-0.4 0.632 49.6 -10.9-131.0 -50.1 -15.8 8.0 1.9 55 58 A R E -EF 66 171B 85 11,-0.8 11,-3.2 117,-0.3 2,-0.4 -0.989 46.6-126.7-156.5 164.4 -13.1 5.6 1.0 56 59 A I E -EF 65 170B 0 114,-2.5 114,-2.2 -2,-0.3 2,-0.4 -0.957 26.6-167.4-117.0 131.4 -11.2 2.4 1.7 57 60 A L E -EF 64 169B 37 7,-2.1 7,-2.6 -2,-0.4 2,-0.8 -0.980 21.5-149.1-124.5 127.4 -7.4 2.3 1.9 58 61 A N E -E 63 0B 0 110,-2.5 109,-3.0 -2,-0.4 5,-0.2 -0.883 21.3-179.6 -83.8 109.2 -4.8 -0.5 1.9 59 62 A N - 0 0 32 3,-1.8 4,-0.1 -2,-0.8 107,-0.1 0.135 52.8 -99.3 -99.3 16.5 -2.1 1.2 4.0 60 63 A G S S+ 0 0 11 2,-0.4 106,-0.1 166,-0.2 3,-0.1 0.427 117.9 51.3 80.7 -2.5 0.2 -1.8 3.9 61 64 A H S S- 0 0 47 1,-0.6 2,-0.2 -58,-0.1 -1,-0.1 0.488 125.0 -25.0-130.0 -24.7 -0.7 -3.1 7.4 62 65 A A S S- 0 0 1 -5,-0.1 -3,-1.8 165,-0.1 -1,-0.6 -0.870 71.4 -91.2-159.1-170.7 -4.5 -3.3 7.2 63 66 A F E -E 58 0B 0 -2,-0.2 29,-0.5 -5,-0.2 2,-0.5 -0.985 33.1-153.3-117.2 139.9 -7.3 -1.6 5.3 64 67 A N E -E 57 0B 22 -7,-2.6 -7,-2.1 -2,-0.4 2,-0.7 -0.912 8.8-154.5-110.5 128.2 -9.1 1.5 6.6 65 68 A V E -EG 56 90B 0 25,-2.8 25,-1.8 -2,-0.5 2,-0.3 -0.925 28.7-152.3 -95.7 120.3 -12.7 2.6 5.9 66 69 A E E -EG 55 89B 48 -11,-3.2 -12,-2.6 -2,-0.7 -11,-0.8 -0.712 8.7-155.7-102.8 146.3 -12.6 6.4 6.3 67 70 A F E -E 53 0B 11 21,-3.2 2,-1.1 -2,-0.3 -14,-0.3 -0.848 28.9-107.6-118.7 151.3 -15.4 8.7 7.4 68 71 A D + 0 0 46 -16,-3.1 3,-0.4 -2,-0.3 -16,-0.3 -0.706 40.4 174.7 -72.9 101.2 -16.1 12.4 6.9 69 72 A D + 0 0 38 -2,-1.1 -1,-0.1 1,-0.2 17,-0.1 0.196 47.4 104.9 -97.9 14.9 -15.5 13.5 10.5 70 73 A S S S+ 0 0 78 2,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.590 87.1 34.4 -72.7 -10.2 -16.0 17.3 9.8 71 74 A Q S S- 0 0 117 -3,-0.4 2,-1.4 3,-0.0 3,-0.5 -0.968 96.4 -95.9-139.2 157.9 -19.4 17.1 11.5 72 75 A D S S+ 0 0 92 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.618 76.8 122.6 -68.6 90.3 -21.1 15.2 14.4 73 76 A K S S+ 0 0 50 -2,-1.4 -23,-0.9 1,-0.3 2,-0.5 0.655 73.3 27.2-121.8 -45.2 -22.6 12.5 12.2 74 77 A A S S+ 0 0 7 -3,-0.5 13,-2.6 -24,-0.2 -1,-0.3 -0.976 85.4 162.4-123.0 112.6 -21.3 9.2 13.6 75 78 A V E -DH 47 86B 13 -28,-1.9 -28,-2.5 -2,-0.5 2,-0.4 -0.934 34.3-145.1-135.6 153.0 -20.4 9.5 17.3 76 79 A L E +DH 46 85B 0 9,-2.5 9,-1.9 -2,-0.3 2,-0.3 -0.976 32.9 148.0-108.9 132.2 -19.7 7.6 20.5 77 80 A K E +D 45 0B 81 -32,-2.3 -32,-3.1 -2,-0.4 7,-0.1 -0.951 34.6 41.2-148.0 176.2 -20.8 8.9 23.9 78 81 A G E > S+D 44 0B 19 3,-0.4 3,-1.6 5,-0.4 -34,-0.3 -0.225 76.1 73.2 80.5-175.5 -21.9 7.6 27.3 79 82 A G T 3 S- 0 0 5 -36,-0.9 -37,-1.1 1,-0.3 -1,-0.1 -0.553 124.2 -15.7 71.1-131.0 -20.4 4.7 29.1 80 83 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.522 118.4 104.8 -78.6 -2.6 -17.0 5.6 30.5 81 84 A L < - 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