==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-DEC-08 3FFP . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.TEMPERINI,L.CROCETTI,A.SCOZZAFAVA,C.T.SUPURAN . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 64.8 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 . 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 . 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 X H 0 0 207 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.2 9.9 0.1 8.5 2 5 X W + 0 0 51 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.184 360.0 130.6 -66.8 149.5 7.5 -1.4 11.1 3 6 X G - 0 0 8 5,-2.3 10,-0.1 2,-0.2 -1,-0.1 -0.738 64.0 -84.3-161.8-148.3 5.3 -4.4 10.3 4 7 X Y S S+ 0 0 37 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.384 82.2 107.2-119.9 1.3 4.3 -7.8 11.7 5 8 X G S >> S- 0 0 34 4,-0.1 4,-1.7 1,-0.1 3,-0.7 -0.137 86.1 -90.8 -78.4 175.3 7.2 -10.0 10.4 6 9 X K T 34 S+ 0 0 187 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.825 124.0 38.2 -49.2 -38.7 10.1 -11.6 12.3 7 10 X H T 34 S+ 0 0 160 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.616 130.9 22.1 -99.9 -10.9 12.4 -8.7 11.6 8 11 X N T <4 S+ 0 0 57 -3,-0.7 -5,-2.3 -6,-0.0 -2,-0.2 0.212 95.1 114.9-138.5 12.5 10.1 -5.7 12.0 9 12 X G S >X S- 0 0 2 -4,-1.7 3,-2.7 -5,-0.2 4,-0.8 0.072 85.4 -61.8 -83.5-170.0 7.2 -6.9 14.2 10 13 X P T 34 S+ 0 0 29 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.711 129.2 60.0 -43.2 -36.6 5.9 -6.1 17.7 11 14 X E T 34 S+ 0 0 148 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.684 110.1 42.9 -67.9 -20.0 9.1 -7.2 19.4 12 15 X H T X> S+ 0 0 60 -3,-2.7 3,-1.6 1,-0.1 4,-0.5 0.591 88.9 88.6 -98.4 -19.7 11.1 -4.6 17.4 13 16 X W H 3X S+ 0 0 6 -4,-0.8 4,-2.5 1,-0.3 3,-0.4 0.776 73.8 69.2 -56.0 -33.9 8.7 -1.6 17.7 14 17 X H H 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.736 88.5 66.2 -61.4 -24.4 10.1 -0.3 21.0 15 18 X K H <4 S+ 0 0 137 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.962 117.3 23.4 -64.6 -51.1 13.4 0.8 19.3 16 19 X D H < S+ 0 0 120 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.776 137.3 36.9 -80.9 -26.2 11.7 3.5 17.2 17 20 X F >< - 0 0 58 -4,-2.5 3,-2.7 1,-0.1 -1,-0.2 -0.741 65.0-179.5-130.1 77.9 8.7 3.8 19.6 18 21 X P G > S+ 0 0 99 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.758 76.7 76.2 -55.0 -25.1 10.0 3.5 23.2 19 22 X I G > + 0 0 55 1,-0.3 3,-2.5 2,-0.2 -5,-0.1 0.633 69.8 88.6 -59.9 -12.4 6.4 4.0 24.4 20 23 X A G < S+ 0 0 7 -3,-2.7 -1,-0.3 1,-0.3 -6,-0.1 0.739 92.4 44.0 -56.0 -25.3 5.8 0.3 23.3 21 24 X K G < S+ 0 0 140 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.054 96.5 127.8-106.4 23.5 7.0 -0.5 26.9 22 25 X G S < S- 0 0 17 -3,-2.5 3,-0.4 1,-0.1 -3,-0.0 0.141 73.3 -97.6 -76.3-168.9 4.9 2.2 28.5 23 26 X E S S+ 0 0 123 1,-0.2 227,-0.1 169,-0.0 -1,-0.1 0.513 112.8 33.9 -92.7 -11.0 2.4 2.1 31.3 24 27 X R S S+ 0 0 44 2,-0.0 -1,-0.2 168,-0.0 2,-0.2 -0.281 78.4 155.0-143.3 53.5 -0.9 1.9 29.3 25 28 X Q - 0 0 2 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.525 32.7 -99.9 -82.3 153.6 -0.3 -0.1 26.2 26 29 X S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.871 78.2 40.4-127.5 155.2 -2.9 -2.1 24.2 27 30 X P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.568 65.7 178.0 -84.0-177.4 -4.1 -4.6 23.6 28 31 X V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.934 35.2-101.4-136.5 160.8 -4.5 -6.5 26.9 29 32 X D E -a 105 0A 32 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.712 33.5-139.3 -77.7 134.2 -6.0 -9.8 28.0 30 33 X I E -a 106 0A 0 75,-3.2 77,-2.8 -2,-0.4 2,-0.9 -0.875 10.8-159.0 -96.8 107.4 -9.4 -9.3 29.6 31 34 X D >> - 0 0 69 -2,-0.8 4,-1.9 75,-0.2 3,-1.9 -0.816 4.3-158.9 -87.2 106.5 -9.6 -11.5 32.7 32 35 X T T 34 S+ 0 0 43 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.758 88.5 52.6 -64.9 -26.8 -13.3 -11.7 33.1 33 36 X H T 34 S+ 0 0 166 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.419 111.7 46.4 -87.8 -2.3 -13.1 -12.7 36.8 34 37 X T T <4 S+ 0 0 91 -3,-1.9 -2,-0.2 2,-0.0 -1,-0.2 0.647 92.0 92.3-105.2 -26.3 -10.8 -9.7 37.6 35 38 X A < - 0 0 19 -4,-1.9 2,-0.4 218,-0.1 218,-0.2 -0.435 69.9-142.9 -69.6 141.2 -12.9 -7.1 35.7 36 39 X K E -c 253 0B 159 216,-1.5 218,-3.0 -2,-0.1 2,-0.1 -0.892 15.0-112.9-112.9 136.4 -15.5 -5.4 38.0 37 40 X Y E -c 254 0B 128 -2,-0.4 218,-0.2 216,-0.2 151,-0.0 -0.440 32.6-149.6 -58.7 133.8 -19.0 -4.3 37.2 38 41 X D > - 0 0 20 216,-2.5 3,-1.3 1,-0.1 -1,-0.1 -0.917 18.7-173.4-118.1 104.8 -19.1 -0.5 37.3 39 42 X P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.668 83.4 69.0 -66.2 -18.8 -22.4 1.2 38.3 40 43 X S T 3 S+ 0 0 72 2,-0.0 2,-0.4 40,-0.0 -2,-0.0 0.438 75.9 105.2 -82.7 0.8 -21.0 4.6 37.5 41 44 X L < - 0 0 29 -3,-1.3 3,-0.1 213,-0.1 38,-0.0 -0.706 66.1-140.5 -81.1 129.8 -20.9 3.8 33.8 42 45 X K - 0 0 120 37,-1.4 37,-0.3 -2,-0.4 39,-0.1 -0.418 40.2 -78.1 -76.3 160.5 -23.7 5.6 31.8 43 46 X P - 0 0 115 0, 0.0 36,-1.0 0, 0.0 2,-0.3 -0.360 53.3-112.5 -59.0 145.1 -25.4 3.6 29.0 44 47 X L E -D 78 0B 21 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.643 29.0-156.2 -78.0 138.6 -23.2 3.5 25.8 45 48 X S E -D 77 0B 33 32,-3.2 32,-2.3 -2,-0.3 2,-0.6 -0.947 13.4-179.4-124.2 111.5 -24.6 5.4 22.9 46 49 X V E -D 76 0B 33 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.940 4.9-178.5-109.4 111.0 -23.6 4.5 19.3 47 50 X S E +D 75 0B 37 28,-2.8 28,-1.8 -2,-0.6 3,-0.2 -0.803 21.5 146.6-118.0 90.0 -25.2 6.8 16.8 48 51 X Y > + 0 0 3 -2,-0.7 3,-1.7 26,-0.2 130,-0.2 0.334 34.1 109.2-107.7 5.5 -24.2 5.8 13.3 49 52 X D T 3 S+ 0 0 86 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.878 87.9 37.7 -46.5 -48.4 -27.4 6.7 11.3 50 53 X Q T 3 S+ 0 0 120 23,-1.0 -1,-0.3 -3,-0.2 24,-0.2 0.263 83.1 143.7 -92.5 9.5 -25.8 9.6 9.5 51 54 X A < - 0 0 20 -3,-1.7 2,-0.5 22,-0.3 18,-0.1 -0.202 34.1-158.2 -53.4 133.8 -22.3 8.1 9.0 52 55 X T - 0 0 51 16,-0.4 16,-3.1 122,-0.1 2,-0.1 -0.893 3.8-162.8-120.9 102.7 -20.7 9.1 5.7 53 56 X S E -E 67 0B 0 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.408 9.2-179.2 -76.3 156.2 -18.0 6.8 4.4 54 57 X L E - 0 0 71 12,-2.9 118,-2.4 1,-0.4 2,-0.3 0.679 52.5 -22.4-121.3 -49.3 -15.6 8.1 1.7 55 58 X R E -EF 66 171B 85 11,-0.8 11,-3.1 116,-0.3 2,-0.4 -0.992 46.6-120.2-165.9 163.6 -13.1 5.5 0.7 56 59 X I E -EF 65 170B 0 114,-2.6 114,-2.3 -2,-0.3 2,-0.4 -0.948 28.2-169.3-120.9 136.3 -11.2 2.3 1.5 57 60 X L E -EF 64 169B 35 7,-2.0 7,-2.7 -2,-0.4 2,-0.7 -0.987 23.4-145.5-133.5 130.0 -7.5 2.2 1.7 58 61 X N E -E 63 0B 0 110,-2.9 109,-2.7 -2,-0.4 5,-0.2 -0.864 20.9-177.1 -87.1 112.8 -4.9 -0.6 1.9 59 62 X N - 0 0 45 3,-2.2 4,-0.1 -2,-0.7 -1,-0.1 0.212 51.4-101.1 -99.6 16.5 -2.2 1.0 4.0 60 63 X G S S+ 0 0 7 2,-0.4 3,-0.1 166,-0.3 106,-0.1 0.415 118.6 54.0 80.4 -0.2 0.3 -1.9 3.9 61 64 X H S S- 0 0 39 1,-0.7 2,-0.2 -58,-0.1 -1,-0.1 0.605 124.9 -33.3-127.8 -46.0 -0.7 -3.0 7.4 62 65 X A S S- 0 0 6 -5,-0.1 -3,-2.2 31,-0.1 -1,-0.7 -0.762 71.8 -86.1-152.7-163.4 -4.5 -3.4 7.2 63 66 X F E -E 58 0B 0 -2,-0.2 2,-0.5 -5,-0.2 29,-0.5 -0.984 33.6-151.9-121.5 141.1 -7.3 -1.7 5.3 64 67 X N E -E 57 0B 22 -7,-2.7 -7,-2.0 -2,-0.4 2,-0.7 -0.923 7.9-153.9-112.7 125.5 -9.1 1.5 6.5 65 68 X V E -EG 56 90B 0 25,-2.8 25,-2.0 -2,-0.5 2,-0.3 -0.919 29.0-152.6 -92.6 118.5 -12.7 2.5 5.8 66 69 X E E -EG 55 89B 38 -11,-3.1 -12,-2.9 -2,-0.7 -11,-0.8 -0.683 8.7-156.2-100.2 147.3 -12.6 6.3 6.1 67 70 X F E -E 53 0B 7 21,-2.4 2,-0.8 -2,-0.3 -14,-0.3 -0.865 28.1-107.8-121.5 149.6 -15.4 8.6 7.1 68 71 X D + 0 0 51 -16,-3.1 -16,-0.4 -2,-0.3 3,-0.3 -0.738 38.8 174.6 -72.5 108.3 -16.2 12.2 6.5 69 72 X D + 0 0 41 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 0.051 46.1 107.3-107.2 21.0 -15.6 13.6 10.1 70 73 X S S S+ 0 0 84 2,-0.0 2,-0.3 56,-0.0 -1,-0.2 0.559 85.8 29.6 -76.3 -13.9 -16.1 17.3 9.2 71 74 X Q S S- 0 0 116 -3,-0.3 2,-0.8 3,-0.0 3,-0.3 -0.919 98.5 -92.5-134.4 166.2 -19.5 17.4 10.9 72 75 X D S S+ 0 0 87 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.732 74.9 124.2 -81.6 106.9 -21.1 15.5 13.9 73 76 X K + 0 0 43 -2,-0.8 -23,-1.0 1,-0.3 2,-0.5 0.603 67.8 33.4-135.3 -41.4 -22.8 12.6 12.1 74 77 X A S S+ 0 0 5 -3,-0.3 13,-2.8 -24,-0.2 2,-0.4 -0.956 79.5 169.3-129.3 103.3 -21.5 9.3 13.5 75 78 X V E -DH 47 86B 18 -28,-1.8 -28,-2.8 -2,-0.5 2,-0.5 -0.947 29.9-153.0-130.0 148.9 -20.8 9.6 17.2 76 79 X L E +DH 46 85B 0 9,-2.8 9,-2.2 -2,-0.4 2,-0.3 -0.947 32.4 149.0-111.8 129.3 -19.9 7.5 20.2 77 80 X K E +D 45 0B 82 -32,-2.3 -32,-3.2 -2,-0.5 7,-0.1 -0.906 32.2 43.1-147.3 175.8 -20.9 8.8 23.7 78 81 X G E > S+D 44 0B 17 5,-0.5 3,-2.2 3,-0.4 -34,-0.3 -0.291 73.9 74.9 80.2-163.1 -21.9 7.5 27.1 79 82 X G T 3 S- 0 0 2 -36,-1.0 -37,-1.4 -37,-0.3 -1,-0.2 -0.383 123.9 -18.0 55.0-128.5 -20.4 4.6 29.0 80 83 X P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.485 115.5 107.6 -86.0 -0.7 -17.0 5.6 30.3 81 84 X L < - 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