==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-OCT-07 3B4F . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.GUZEL,C.TEMPERINI,A.INNOCENTI,A.SCOZZAFAVA,A.SALMAN, . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 65.6 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 21.9 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 . 25 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.3 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 0 190 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.3 9.8 0.4 8.6 2 5 A W + 0 0 47 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.218 360.0 137.2 -67.2 146.9 7.5 -1.3 11.1 3 6 A G - 0 0 8 5,-2.6 10,-0.1 2,-0.2 -1,-0.1 -0.727 60.9 -91.0-156.0-150.5 5.4 -4.3 10.3 4 7 A Y S S+ 0 0 36 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.303 82.5 106.4-122.4 4.2 4.3 -7.7 11.7 5 8 A G S >> S- 0 0 33 4,-0.1 4,-1.5 1,-0.1 3,-0.6 -0.175 87.5 -93.8 -80.8 176.2 7.1 -9.9 10.4 6 9 A K T 34 S+ 0 0 188 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.788 123.2 41.8 -62.8 -28.0 10.0 -11.4 12.4 7 10 A H T 34 S+ 0 0 166 1,-0.1 -1,-0.2 5,-0.0 -5,-0.0 0.575 130.3 21.2 -99.5 -10.3 12.4 -8.5 11.6 8 11 A N T <4 S+ 0 0 54 -3,-0.6 -5,-2.6 -6,-0.1 -2,-0.2 0.248 97.4 117.1-137.9 12.7 10.0 -5.5 12.0 9 12 A G S >X S- 0 0 3 -4,-1.5 3,-2.8 -7,-0.2 4,-0.8 0.082 81.7 -59.7 -82.5-173.2 7.2 -6.9 14.2 10 13 A P T 34 S+ 0 0 29 0, 0.0 3,-0.4 0, 0.0 4,-0.4 0.717 128.8 51.7 -41.7 -39.2 5.8 -6.1 17.7 11 14 A E T 34 S+ 0 0 160 1,-0.2 -2,-0.1 2,-0.1 -5,-0.0 0.485 108.8 51.9 -87.9 8.7 9.0 -6.8 19.7 12 15 A H T X> S+ 0 0 66 -3,-2.8 3,-1.5 2,-0.1 4,-0.5 0.560 89.0 84.0 -97.9 -16.4 11.1 -4.5 17.5 13 16 A W H 3X S+ 0 0 6 -4,-0.8 4,-2.6 -3,-0.4 3,-0.4 0.800 74.2 69.5 -60.6 -34.0 8.6 -1.6 17.9 14 17 A H H 34 S+ 0 0 68 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.737 89.6 64.9 -57.6 -25.7 10.1 -0.3 21.2 15 18 A K H <4 S+ 0 0 134 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.953 116.3 24.7 -68.0 -49.5 13.3 0.8 19.4 16 19 A D H < S+ 0 0 119 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.778 137.1 35.8 -80.4 -27.5 11.6 3.5 17.2 17 20 A F >< - 0 0 50 -4,-2.6 3,-2.4 1,-0.1 -1,-0.2 -0.757 65.5-177.7-130.2 83.7 8.7 3.9 19.7 18 21 A P G > S+ 0 0 100 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.743 77.1 76.8 -56.0 -27.9 9.9 3.5 23.3 19 22 A I G > + 0 0 62 1,-0.3 3,-2.5 179,-0.2 5,-0.2 0.606 69.5 89.5 -57.3 -12.2 6.3 4.0 24.6 20 23 A A G < S+ 0 0 6 -3,-2.4 -1,-0.3 1,-0.3 -6,-0.1 0.741 92.2 43.4 -55.8 -24.7 5.9 0.3 23.4 21 24 A K G < S+ 0 0 137 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.2 0.024 97.1 130.1-107.5 22.9 7.0 -0.6 27.0 22 25 A G S < S- 0 0 14 -3,-2.5 3,-0.5 1,-0.1 -3,-0.0 0.125 71.9 -99.5 -75.2-171.6 4.8 2.1 28.6 23 26 A E S S+ 0 0 128 1,-0.2 -1,-0.1 169,-0.0 -3,-0.1 0.565 113.2 35.1 -92.2 -11.8 2.4 2.0 31.5 24 27 A R S S+ 0 0 46 -5,-0.2 -1,-0.2 168,-0.1 2,-0.2 -0.322 79.2 155.5-139.2 57.0 -0.9 1.9 29.5 25 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.543 32.3-102.9 -85.8 154.3 -0.2 -0.2 26.3 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.1 -2,-0.2 78,-0.0 -0.896 78.2 41.3-131.1 152.9 -2.8 -2.1 24.3 27 30 A P + 0 0 0 0, 0.0 218,-3.0 0, 0.0 2,-0.3 0.560 66.2 175.6 -79.5 178.2 -4.1 -4.7 23.7 28 31 A V - 0 0 0 216,-0.3 77,-1.2 -2,-0.1 2,-0.4 -0.918 36.7 -98.6-135.9 163.0 -4.4 -6.6 26.9 29 32 A D E -a 105 0A 29 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.702 33.6-137.6 -78.1 135.2 -5.9 -9.9 28.1 30 33 A I E -a 106 0A 0 75,-3.0 77,-2.4 -2,-0.4 2,-1.0 -0.839 12.5-160.7 -96.9 102.4 -9.4 -9.4 29.6 31 34 A D >> - 0 0 67 -2,-0.9 3,-2.1 75,-0.2 4,-1.7 -0.756 3.6-160.5 -84.7 104.8 -9.5 -11.6 32.7 32 35 A T T 34 S+ 0 0 44 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.734 87.7 53.8 -63.3 -26.6 -13.3 -11.8 33.1 33 36 A H T 34 S+ 0 0 169 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.424 111.4 45.7 -87.2 -1.9 -13.0 -12.8 36.8 34 37 A T T <4 S+ 0 0 106 -3,-2.1 -2,-0.2 2,-0.0 2,-0.2 0.639 91.0 94.3-109.5 -25.3 -10.8 -9.8 37.6 35 38 A A < - 0 0 20 -4,-1.7 2,-0.4 218,-0.1 218,-0.2 -0.471 69.1-142.4 -69.0 136.4 -12.9 -7.2 35.8 36 39 A K E -c 253 0B 137 216,-1.5 218,-2.8 -2,-0.2 2,-0.1 -0.867 14.1-115.3-108.8 135.2 -15.4 -5.4 38.1 37 40 A Y E -c 254 0B 124 -2,-0.4 218,-0.2 216,-0.2 151,-0.0 -0.449 31.0-151.7 -60.2 134.2 -19.0 -4.3 37.2 38 41 A D > - 0 0 27 216,-2.5 3,-1.2 -2,-0.1 -1,-0.1 -0.923 17.6-173.7-120.0 105.1 -19.1 -0.5 37.4 39 42 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.669 81.3 70.7 -69.7 -17.2 -22.5 1.0 38.3 40 43 A S T 3 S+ 0 0 76 2,-0.0 2,-0.5 40,-0.0 -2,-0.0 0.417 76.2 105.9 -80.3 1.2 -21.1 4.6 37.7 41 44 A L < - 0 0 33 -3,-1.2 3,-0.1 213,-0.1 -3,-0.0 -0.732 66.3-140.1 -84.6 124.5 -21.0 3.8 33.9 42 45 A K - 0 0 128 37,-1.3 37,-0.2 -2,-0.5 39,-0.1 -0.344 40.2 -82.1 -68.5 159.2 -23.7 5.5 31.8 43 46 A P - 0 0 117 0, 0.0 36,-1.1 0, 0.0 2,-0.3 -0.356 52.5-105.0 -62.2 152.1 -25.3 3.4 29.0 44 47 A L E -D 78 0B 20 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.615 30.5-154.1 -80.0 138.6 -23.1 3.4 25.8 45 48 A S E +D 77 0B 34 32,-3.0 32,-2.3 -2,-0.3 2,-0.7 -0.933 13.9 179.6-122.8 108.2 -24.4 5.5 22.9 46 49 A V E -D 76 0B 34 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.924 3.5-179.0-108.9 107.5 -23.5 4.5 19.4 47 50 A S E +D 75 0B 36 28,-2.8 28,-1.9 -2,-0.7 3,-0.1 -0.811 22.9 143.5-112.6 90.5 -25.0 7.0 16.9 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.6 26,-0.2 130,-0.3 0.293 34.9 105.8-110.0 6.8 -24.1 5.9 13.4 49 52 A D T 3 S+ 0 0 83 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.866 88.1 39.6 -57.6 -39.9 -27.2 6.6 11.4 50 53 A Q T 3 S+ 0 0 129 23,-0.8 -1,-0.3 -3,-0.1 24,-0.2 0.131 84.2 144.8 -98.3 20.4 -25.8 9.7 9.6 51 54 A A < - 0 0 20 -3,-1.6 2,-0.5 22,-0.2 18,-0.1 -0.319 34.6-157.0 -61.6 137.5 -22.3 8.2 9.1 52 55 A T - 0 0 50 16,-0.4 16,-3.0 122,-0.1 2,-0.1 -0.881 4.0-159.7-123.4 98.6 -20.5 9.3 5.8 53 56 A S E -E 67 0B 1 -2,-0.5 121,-0.5 122,-0.3 14,-0.3 -0.460 9.2-176.7 -74.0 146.3 -17.8 6.9 4.5 54 57 A L E - 0 0 80 12,-3.4 118,-2.0 1,-0.3 2,-0.3 0.796 52.2 -34.8-108.3 -60.0 -15.3 8.4 2.1 55 58 A R E -EF 66 171B 89 11,-0.6 11,-3.0 116,-0.3 2,-0.4 -0.994 44.4-112.7-163.8 167.8 -13.0 5.6 1.0 56 59 A I E -EF 65 170B 0 114,-2.6 114,-2.5 -2,-0.3 2,-0.4 -0.914 30.3-170.9-113.2 135.5 -11.0 2.4 1.7 57 60 A L E -EF 64 169B 37 7,-2.3 7,-2.4 -2,-0.4 2,-0.7 -0.987 22.7-146.3-132.5 129.3 -7.2 2.2 1.8 58 61 A N E -E 63 0B 0 110,-3.1 109,-2.7 -2,-0.4 5,-0.2 -0.866 19.2-178.9 -85.7 114.9 -4.6 -0.5 1.9 59 62 A N - 0 0 40 3,-2.0 4,-0.1 -2,-0.7 107,-0.1 0.196 52.8-102.0-101.2 15.1 -1.8 1.0 4.0 60 63 A G S S+ 0 0 7 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.522 117.9 57.2 77.0 5.0 0.5 -2.0 3.8 61 64 A H S S- 0 0 37 1,-0.7 2,-0.2 -58,-0.1 -1,-0.1 0.583 123.4 -36.4-126.9 -50.7 -0.5 -3.0 7.4 62 65 A A S S- 0 0 8 -5,-0.1 -3,-2.0 31,-0.1 -1,-0.7 -0.758 70.9 -86.0-150.1-163.1 -4.3 -3.3 7.3 63 66 A F E -E 58 0B 0 29,-0.3 2,-0.4 -2,-0.2 29,-0.4 -0.983 32.3-152.7-120.0 140.9 -7.1 -1.5 5.5 64 67 A N E -E 57 0B 27 -7,-2.4 -7,-2.3 -2,-0.4 2,-0.6 -0.914 7.0-155.2-108.2 132.2 -8.9 1.6 6.7 65 68 A V E -EG 56 90B 0 25,-2.7 25,-2.0 -2,-0.4 2,-0.3 -0.958 27.7-152.9 -98.2 119.1 -12.4 2.6 5.9 66 69 A E E -EG 55 89B 40 -11,-3.0 -12,-3.4 -2,-0.6 -11,-0.6 -0.672 9.5-159.5-101.6 148.9 -12.3 6.4 6.3 67 70 A F E -E 53 0B 7 21,-2.6 2,-0.7 -14,-0.3 -14,-0.2 -0.884 28.9-105.6-125.0 152.6 -15.2 8.7 7.3 68 71 A D + 0 0 39 -16,-3.0 -16,-0.4 -2,-0.3 3,-0.2 -0.738 38.4 173.9 -75.7 113.0 -16.0 12.4 6.9 69 72 A D + 0 0 38 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 -0.021 45.4 108.4-110.7 26.4 -15.6 13.7 10.5 70 73 A S S S+ 0 0 80 2,-0.0 2,-0.3 56,-0.0 -1,-0.1 0.353 86.4 28.9 -86.9 5.2 -16.0 17.4 9.7 71 74 A Q S S- 0 0 114 -3,-0.2 2,-1.5 3,-0.1 3,-0.4 -0.955 99.7 -89.8-152.9 160.3 -19.4 17.4 11.4 72 75 A D S S+ 0 0 93 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.621 76.2 127.3 -75.0 91.4 -21.0 15.4 14.3 73 76 A K S S+ 0 0 50 -2,-1.5 -23,-0.8 1,-0.3 2,-0.5 0.751 70.6 25.7-115.7 -48.6 -22.5 12.6 12.1 74 77 A A S S+ 0 0 8 -3,-0.4 13,-2.8 13,-0.2 2,-0.3 -0.956 83.0 173.3-122.1 107.2 -21.3 9.3 13.6 75 78 A V E -DH 47 86B 16 -28,-1.9 -28,-2.8 -2,-0.5 2,-0.5 -0.899 28.7-152.8-126.2 147.6 -20.6 9.7 17.3 76 79 A L E +DH 46 85B 0 9,-3.1 9,-2.3 -2,-0.3 2,-0.3 -0.961 32.3 150.0-110.0 129.7 -19.7 7.6 20.4 77 80 A K E +D 45 0B 83 -32,-2.3 -32,-3.0 -2,-0.5 7,-0.1 -0.914 33.1 35.1-146.1 177.6 -20.8 8.8 23.8 78 81 A G E > S+D 44 0B 17 5,-0.5 3,-2.2 3,-0.4 -34,-0.3 -0.250 74.8 80.1 72.7-161.8 -21.8 7.6 27.3 79 82 A G T 3 S- 0 0 4 -36,-1.1 -37,-1.3 1,-0.3 -1,-0.1 -0.465 123.7 -19.9 59.5-126.9 -20.3 4.5 29.0 80 83 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.453 117.8 107.3 -86.2 -0.2 -16.9 5.6 30.4 81 84 A L < - 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