==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-NOV-07 3BET . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.DI FIORE,G.DE SIMONE . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 65.1 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 . 58 22.5 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 . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.8 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 3 0 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 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 0 2 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 0 184 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 60.1 13.4 -1.3 7.4 2 4 A H - 0 0 124 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.434 360.0 -70.9 -86.8 166.7 10.2 0.2 8.8 3 5 A W + 0 0 38 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.056 63.5 138.3 -55.6 150.7 7.9 -1.5 11.3 4 6 A G - 0 0 9 5,-2.4 10,-0.1 2,-0.2 -1,-0.1 -0.730 62.4 -85.9-161.6-150.3 5.7 -4.4 10.2 5 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.251 83.9 108.8-122.9 11.1 4.6 -7.8 11.6 6 8 A G S > S- 0 0 37 4,-0.1 4,-1.6 1,-0.1 3,-0.4 -0.110 85.2 -91.0 -81.5-178.4 7.5 -9.9 10.4 7 9 A K T 4 S+ 0 0 181 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.833 123.6 34.8 -62.0 -36.3 10.3 -11.6 12.3 8 10 A H T 4 S+ 0 0 137 1,-0.1 -1,-0.2 5,-0.0 -5,-0.0 0.455 132.6 25.8-101.9 -1.3 12.8 -8.7 11.9 9 11 A N T 4 S+ 0 0 40 -3,-0.4 -5,-2.4 -6,-0.1 -2,-0.2 0.249 95.2 118.3-141.5 9.5 10.4 -5.8 12.2 10 12 A G S >X S- 0 0 3 -4,-1.6 3,-2.7 -5,-0.2 4,-0.9 0.090 83.8 -67.3 -72.1-175.1 7.5 -7.2 14.2 11 13 A P T 34 S+ 0 0 25 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.736 128.4 59.1 -43.8 -36.5 6.0 -6.3 17.6 12 14 A E T 34 S+ 0 0 141 1,-0.2 -2,-0.1 2,-0.1 -5,-0.0 0.598 108.8 46.5 -75.8 -7.5 9.1 -7.4 19.6 13 15 A H T X> S+ 0 0 60 -3,-2.7 3,-1.6 1,-0.1 4,-0.6 0.634 86.9 87.2-103.6 -22.5 11.2 -4.8 17.6 14 16 A W H >X S+ 0 0 5 -4,-0.9 4,-2.7 1,-0.3 3,-0.5 0.759 74.5 70.7 -51.6 -32.5 8.9 -1.8 17.8 15 17 A H H 34 S+ 0 0 68 -4,-0.4 -1,-0.3 1,-0.2 6,-0.1 0.776 88.7 62.9 -60.3 -28.4 10.3 -0.6 21.2 16 18 A K H <4 S+ 0 0 125 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.930 117.5 27.0 -63.9 -44.4 13.6 0.5 19.6 17 19 A D H << S+ 0 0 108 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.2 0.786 136.1 34.7 -85.6 -29.8 11.9 3.1 17.4 18 20 A F >< - 0 0 43 -4,-2.7 3,-2.5 -5,-0.2 -1,-0.2 -0.745 64.8-177.3-130.4 83.4 9.0 3.6 19.8 19 21 A P G > S+ 0 0 98 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.749 78.2 75.2 -49.0 -31.7 10.1 3.3 23.4 20 22 A I G > S+ 0 0 64 1,-0.3 3,-3.0 2,-0.2 5,-0.2 0.646 70.5 89.8 -60.1 -12.0 6.5 3.8 24.6 21 23 A A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.769 92.3 42.6 -55.8 -25.3 6.0 0.2 23.4 22 24 A K G < S+ 0 0 139 -3,-2.2 -1,-0.3 -7,-0.1 -2,-0.2 0.000 96.6 131.9-109.2 25.7 7.0 -0.7 27.0 23 25 A G S < S- 0 0 12 -3,-3.0 3,-0.4 1,-0.1 -3,-0.0 0.133 71.4 -99.2 -69.1-173.4 4.9 2.0 28.5 24 26 A E S S+ 0 0 119 1,-0.2 226,-0.2 225,-0.1 -1,-0.1 0.515 113.5 33.5 -89.5 -8.3 2.4 1.9 31.3 25 27 A R S S+ 0 0 46 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.298 79.3 156.1-145.1 58.1 -0.9 1.7 29.3 26 28 A Q - 0 0 3 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.525 32.7 -99.7 -86.9 151.9 -0.1 -0.3 26.2 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.879 79.3 39.0-125.0 156.4 -2.7 -2.2 24.1 28 30 A P + 0 0 0 0, 0.0 218,-3.1 0, 0.0 2,-0.3 0.607 66.4 176.1 -82.2-179.5 -3.9 -4.7 23.4 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.917 36.0 -99.6-139.7 164.6 -4.3 -6.6 26.7 30 32 A D E -a 106 0A 32 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.724 33.9-137.7 -85.4 138.0 -5.8 -9.9 27.8 31 33 A I E -a 107 0A 0 75,-3.3 77,-2.2 -2,-0.4 2,-1.1 -0.872 9.5-157.0-101.2 107.4 -9.2 -9.5 29.4 32 34 A D >> - 0 0 68 -2,-0.8 4,-2.2 75,-0.2 3,-1.1 -0.738 5.0-162.2 -83.4 99.0 -9.5 -11.7 32.5 33 35 A T T 34 S+ 0 0 45 -2,-1.1 -1,-0.2 1,-0.3 222,-0.0 0.733 86.6 52.0 -56.7 -26.4 -13.3 -12.0 32.7 34 36 A H T 34 S+ 0 0 163 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.748 113.6 42.1 -84.1 -23.3 -13.2 -13.1 36.3 35 37 A T T <4 S+ 0 0 107 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.1 0.715 90.0 100.3 -93.1 -24.6 -11.0 -10.2 37.5 36 38 A A < - 0 0 18 -4,-2.2 2,-0.4 218,-0.1 218,-0.2 -0.412 67.9-144.6 -61.7 134.4 -12.9 -7.5 35.4 37 39 A K E -c 254 0B 140 216,-1.6 218,-2.6 -2,-0.1 -2,-0.1 -0.877 13.2-112.0-112.7 137.6 -15.3 -5.7 37.8 38 40 A Y E -c 255 0B 76 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.375 31.0-150.7 -60.1 134.2 -18.7 -4.4 37.1 39 41 A D > - 0 0 29 216,-2.7 3,-1.3 1,-0.1 -1,-0.1 -0.920 15.1-170.8-116.8 108.0 -18.6 -0.6 37.3 40 42 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.692 83.9 67.6 -67.0 -20.3 -21.9 1.2 38.4 41 43 A S T 3 S+ 0 0 76 2,-0.1 2,-0.3 40,-0.0 -2,-0.0 0.591 75.6 106.8 -78.1 -9.6 -20.5 4.6 37.5 42 44 A L < - 0 0 28 -3,-1.3 3,-0.1 213,-0.2 38,-0.0 -0.555 65.1-141.1 -73.7 128.9 -20.5 3.7 33.8 43 45 A K E -D 80 0B 130 37,-1.8 37,-0.6 -2,-0.3 39,-0.1 -0.447 38.5 -74.3 -84.6 161.2 -23.2 5.5 31.8 44 46 A P E - 0 0 118 0, 0.0 36,-0.7 0, 0.0 2,-0.3 -0.286 54.1-116.5 -55.6 136.6 -25.2 3.8 29.1 45 47 A L E -D 79 0B 24 34,-0.3 2,-0.5 -3,-0.1 34,-0.2 -0.601 27.1-155.3 -78.8 136.3 -23.1 3.4 25.9 46 48 A S E +D 78 0B 42 32,-3.6 32,-2.3 -2,-0.3 2,-0.6 -0.939 14.9 178.9-120.2 115.1 -24.4 5.4 22.9 47 49 A V E +D 77 0B 35 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.921 4.6 176.5-114.9 104.4 -23.6 4.3 19.4 48 50 A S E +D 76 0B 40 28,-2.7 28,-2.1 -2,-0.6 3,-0.2 -0.825 19.4 146.3-113.8 93.5 -25.2 6.6 16.8 49 51 A Y > + 0 0 3 -2,-0.7 3,-1.8 26,-0.2 130,-0.2 0.265 36.6 109.1-107.5 8.1 -24.1 5.6 13.3 50 52 A D T 3 S+ 0 0 84 1,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.842 86.0 39.1 -55.0 -37.9 -27.4 6.5 11.5 51 53 A Q T 3 S+ 0 0 123 23,-0.2 24,-0.3 -3,-0.2 -1,-0.3 0.166 84.6 143.5-100.0 18.5 -25.8 9.5 9.7 52 54 A A < - 0 0 21 -3,-1.8 2,-0.5 22,-0.2 18,-0.1 -0.310 34.3-159.3 -61.5 138.3 -22.4 7.9 9.0 53 55 A T - 0 0 45 16,-0.3 16,-2.9 122,-0.1 2,-0.1 -0.877 3.5-163.9-125.2 98.3 -20.9 8.9 5.7 54 56 A S E +E 68 0B 0 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.452 10.7 176.3 -76.8 153.7 -18.2 6.5 4.4 55 57 A L E - 0 0 75 12,-2.9 118,-2.0 1,-0.4 2,-0.3 0.652 52.5 -13.9-126.9 -41.3 -15.9 7.9 1.6 56 58 A R E -EF 67 172B 85 11,-1.1 11,-3.1 116,-0.3 2,-0.4 -0.991 47.3-126.1-163.8 165.5 -13.3 5.4 0.7 57 59 A I E -EF 66 171B 0 114,-2.7 114,-2.2 -2,-0.3 2,-0.4 -0.978 27.7-169.9-122.5 134.7 -11.4 2.2 1.5 58 60 A L E -EF 65 170B 30 7,-2.5 7,-2.7 -2,-0.4 2,-0.8 -0.974 24.1-147.1-132.3 139.9 -7.6 2.1 1.7 59 61 A N E +E 64 0B 0 110,-2.7 109,-2.7 -2,-0.4 5,-0.2 -0.912 21.0 178.7 -99.1 109.5 -4.9 -0.6 2.0 60 62 A N - 0 0 47 3,-1.9 4,-0.1 -2,-0.8 -1,-0.1 0.253 53.2-102.1 -97.7 12.7 -2.2 1.2 4.0 61 63 A G S S+ 0 0 7 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.422 117.2 57.9 85.1 -3.2 0.2 -1.8 4.1 62 64 A H S S- 0 0 47 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.546 124.7 -37.0-125.0 -31.1 -0.7 -2.8 7.7 63 65 A A S S- 0 0 5 164,-0.1 -3,-1.9 -5,-0.1 -1,-0.6 -0.873 71.6 -84.5-171.3-167.1 -4.5 -3.3 7.3 64 66 A F E -E 59 0B 0 29,-0.3 2,-0.5 -2,-0.3 29,-0.4 -0.987 33.6-150.9-125.2 136.4 -7.3 -1.7 5.3 65 67 A N E -E 58 0B 20 -7,-2.7 -7,-2.5 -2,-0.4 2,-0.8 -0.900 9.1-156.6-109.7 130.6 -9.2 1.4 6.5 66 68 A V E -EG 57 91B 0 25,-2.6 25,-1.7 -2,-0.5 2,-0.3 -0.929 30.2-155.2 -99.2 113.2 -12.8 2.3 5.6 67 69 A E E -EG 56 90B 44 -11,-3.1 -12,-2.9 -2,-0.8 -11,-1.1 -0.704 8.7-157.7 -97.1 146.3 -12.7 6.1 6.1 68 70 A F E -E 54 0B 10 21,-2.6 2,-0.8 -2,-0.3 -14,-0.2 -0.804 28.8-103.0-119.1 159.4 -15.6 8.3 7.0 69 71 A D + 0 0 43 -16,-2.9 -16,-0.3 -2,-0.3 3,-0.3 -0.739 39.9 172.6 -82.8 110.4 -16.3 12.1 6.5 70 72 A D + 0 0 38 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.075 43.7 109.7-110.7 32.7 -15.8 13.5 10.0 71 73 A S S S+ 0 0 83 2,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.538 86.6 31.5 -82.7 -7.1 -16.0 17.2 9.1 72 74 A Q S S- 0 0 114 -3,-0.3 2,-1.1 3,-0.0 3,-0.2 -0.952 99.4 -90.7-143.7 160.4 -19.4 17.3 10.9 73 75 A D S S+ 0 0 90 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.638 75.1 119.8 -78.9 101.4 -20.9 15.5 13.9 74 76 A K + 0 0 55 -2,-1.1 2,-0.8 1,-0.3 -22,-0.2 0.478 65.1 34.3-122.2 -90.8 -22.6 12.5 12.4 75 77 A A S S+ 0 0 6 -24,-0.3 13,-2.8 -3,-0.2 -1,-0.3 -0.633 82.5 169.1 -74.8 108.9 -21.6 9.0 13.4 76 78 A V E -DH 48 87B 15 -28,-2.1 -28,-2.7 -2,-0.8 2,-0.4 -0.910 31.5-152.0-129.1 155.7 -20.7 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 -0.978 31.0 147.7-122.3 131.6 -19.9 7.4 20.1 78 80 A K E +D 46 0B 83 -32,-2.3 -32,-3.6 -2,-0.4 7,-0.1 -0.930 32.2 45.7-152.4 175.1 -20.7 8.7 23.6 79 81 A G E > S+D 45 0B 19 5,-0.4 3,-2.1 3,-0.4 -34,-0.3 -0.374 72.4 78.4 82.8-164.4 -21.7 7.5 27.1 80 82 A G E 3 S-D 43 0B 3 -36,-0.7 -37,-1.8 -37,-0.6 -1,-0.1 -0.430 123.3 -21.3 62.1-130.0 -20.1 4.5 28.8 81 83 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.504 115.9 110.7 -88.4 -4.3 -16.8 5.6 30.3 82 84 A L < - 0 0 12 -3,-2.1 2,-0.6 -39,-0.1 -3,-0.4 -0.472 54.1-157.0 -80.4 140.5 -16.6 8.5 27.8 83 85 A D - 0 0 133 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.966 67.2 -7.0-113.1 116.3 -17.0 12.2 28.7 84 86 A G S S- 0 0 49 -2,-0.6 -5,-0.4 39,-0.1 2,-0.4 -0.517 100.6 -42.4 98.8-167.3 -18.1 14.2 25.7 85 87 A T - 0 0 29 -2,-0.2 38,-2.7 -7,-0.1 2,-0.5 -0.887 42.2-162.7-110.9 133.7 -18.6 13.3 22.0 86 88 A Y E -HI 77 122B 4 -9,-2.0 -9,-2.7 -2,-0.4 2,-0.4 -0.964 14.6-143.2-116.0 125.7 -16.3 11.1 19.9 87 89 A R E -HI 76 121B 31 34,-2.8 34,-2.0 -2,-0.5 2,-0.3 -0.729 16.9-119.1 -94.5 131.8 -16.6 11.2 16.1 88 90 A L E + I 0 120B 3 -13,-2.8 32,-0.3 -2,-0.4 -13,-0.2 -0.484 38.8 163.5 -67.5 128.5 -16.1 8.1 13.9 89 91 A I E - 0 0 32 30,-2.8 -21,-2.6 1,-0.4 2,-0.3 0.687 59.5 -26.2-116.3 -32.3 -13.2 8.6 11.5 90 92 A Q E -GI 67 119B 31 29,-1.2 29,-2.8 -23,-0.3 -1,-0.4 -0.982 47.1-145.0-172.1 165.3 -12.4 5.1 10.3 91 93 A F E +GI 66 118B 0 -25,-1.7 -25,-2.6 -2,-0.3 2,-0.3 -0.975 20.7 163.7-141.4 154.5 -12.6 1.4 11.0 92 94 A H E - I 0 117B 25 25,-1.7 25,-3.3 -2,-0.3 2,-0.3 -0.921 23.1-124.6-156.2 176.7 -10.3 -1.5 10.2 93 95 A F E - I 0 116B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.3 -0.836 0.6-149.5-130.5 167.5 -9.5 -5.1 11.2 94 96 A H E + I 0 115B 2 21,-1.4 21,-2.1 -2,-0.3 2,-0.3 -0.987 31.5 168.3-133.1 133.2 -6.7 -7.2 12.5 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.2 19,-0.2 145,-1.0 -0.928 22.8-121.0-145.7 170.9 -6.8 -10.9 11.5 96 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.7 3,-0.1 -0.411 25.3-115.3-109.5-175.8 -4.8 -14.1 11.4 97 99 A S S S+ 0 0 42 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.582 105.5 34.1 -89.9 -13.5 -3.5 -16.7 9.0 98 100 A L S > S- 0 0 109 3,-0.2 3,-1.6 15,-0.1 -2,-0.2 -0.951 88.9-111.2-138.9 155.9 -5.7 -19.3 10.7 99 101 A D T 3 S+ 0 0 71 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.745 111.1 65.1 -60.3 -24.7 -9.2 -19.1 12.4 100 102 A G T 3 S+ 0 0 56 13,-0.1 2,-0.3 2,-0.1 11,-0.3 0.311 107.7 32.7 -84.4 10.0 -7.7 -19.7 15.8 101 103 A Q < + 0 0 51 -3,-1.6 -5,-0.7 12,-0.1 -3,-0.2 -0.978 64.9 95.7-156.4 161.7 -5.8 -16.4 15.9 102 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.030 55.3 106.8 143.7 -32.9 -6.1 -12.8 14.7 103 105 A S - 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