==== 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 08-FEB-08 3C7P . 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) . 11975.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 63.6 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 21.7 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 . 26 10.1 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 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 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 3 A H 0 0 177 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 68.9 13.3 -1.0 7.3 2 4 A H - 0 0 120 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.374 360.0 -87.0 -78.1 159.0 9.9 0.2 8.4 3 5 A W + 0 0 51 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.220 61.2 139.1 -64.0 154.2 7.8 -1.4 11.1 4 6 A G - 0 0 7 5,-2.8 10,-0.1 2,-0.2 -1,-0.1 -0.746 62.1 -82.0-163.6-149.2 5.6 -4.3 10.3 5 7 A Y S S+ 0 0 36 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.175 84.0 109.4-123.8 15.7 4.5 -7.7 11.6 6 8 A G S > S- 0 0 39 4,-0.1 4,-1.7 1,-0.1 3,-0.4 -0.261 84.9 -95.6 -86.4 176.7 7.4 -9.8 10.4 7 9 A K T 4 S+ 0 0 180 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.822 123.3 37.9 -60.8 -34.1 10.1 -11.5 12.3 8 10 A H T 4 S+ 0 0 137 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.546 132.1 24.0 -98.6 -7.0 12.6 -8.6 11.8 9 11 A N T 4 S+ 0 0 38 -3,-0.4 -5,-2.8 -6,-0.1 -2,-0.2 0.226 96.2 117.9-139.4 12.7 10.2 -5.7 12.1 10 12 A G S >X S- 0 0 2 -4,-1.7 3,-2.8 -5,-0.2 4,-0.9 0.081 84.0 -66.7 -74.8-173.6 7.3 -7.1 14.1 11 13 A P T 34 S+ 0 0 28 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.743 128.6 59.5 -44.4 -36.4 5.9 -6.2 17.6 12 14 A E T 34 S+ 0 0 143 1,-0.2 -5,-0.1 2,-0.1 -2,-0.0 0.590 109.3 45.2 -74.8 -7.9 9.0 -7.3 19.5 13 15 A H T X4 S+ 0 0 59 -3,-2.8 3,-1.7 1,-0.1 4,-0.5 0.619 87.6 87.4-105.8 -20.7 11.0 -4.7 17.5 14 16 A W G >X S+ 0 0 5 -4,-0.9 4,-2.6 1,-0.3 3,-0.7 0.770 73.4 71.2 -52.7 -33.9 8.7 -1.7 17.7 15 17 A H G 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.747 87.5 66.0 -58.7 -25.2 10.1 -0.4 21.0 16 18 A K G <4 S+ 0 0 131 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.924 116.6 24.1 -65.4 -44.3 13.4 0.7 19.3 17 19 A D T <4 S+ 0 0 121 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.742 136.2 37.5 -89.6 -25.2 11.7 3.4 17.2 18 20 A F >< - 0 0 55 -4,-2.6 3,-2.2 1,-0.1 -1,-0.2 -0.752 64.6-178.5-130.7 84.4 8.8 3.8 19.6 19 21 A P G > S+ 0 0 98 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.730 76.9 75.9 -52.1 -28.7 9.9 3.5 23.3 20 22 A I G > S+ 0 0 60 1,-0.3 3,-2.5 179,-0.2 5,-0.2 0.611 70.4 89.3 -63.1 -9.3 6.3 3.9 24.5 21 23 A A G < S+ 0 0 5 -3,-2.2 -1,-0.3 1,-0.3 -6,-0.1 0.742 92.1 42.9 -59.3 -23.9 5.9 0.3 23.3 22 24 A K G < S+ 0 0 137 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 -0.054 97.4 133.1-109.9 27.1 6.9 -0.6 26.8 23 25 A G S < S- 0 0 12 -3,-2.5 3,-0.4 1,-0.1 -3,-0.1 0.104 70.7-100.6 -69.7-173.9 4.8 2.1 28.3 24 26 A E S S+ 0 0 121 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.576 113.3 33.5 -88.0 -14.1 2.3 2.1 31.3 25 27 A R S S+ 0 0 47 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.326 80.1 156.6-140.1 57.7 -0.9 1.9 29.3 26 28 A Q - 0 0 2 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.514 32.1 -98.8 -86.8 152.3 -0.2 -0.2 26.2 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.889 79.0 37.5-125.6 156.4 -2.8 -2.1 24.1 28 30 A P + 0 0 0 0, 0.0 218,-2.9 0, 0.0 2,-0.3 0.577 66.0 177.4 -81.6-178.1 -4.0 -4.7 23.5 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.3 -0.929 35.9 -99.5-140.3 162.8 -4.4 -6.5 26.8 30 32 A D E -a 106 0A 34 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.694 34.9-136.7 -82.6 139.3 -5.9 -9.8 27.9 31 33 A I E -a 107 0A 0 75,-3.3 77,-2.2 -2,-0.3 2,-1.1 -0.870 10.7-158.0-102.2 104.9 -9.3 -9.4 29.4 32 34 A D >> - 0 0 63 -2,-0.8 4,-1.9 75,-0.2 3,-0.7 -0.737 4.4-162.4 -82.6 101.5 -9.6 -11.5 32.5 33 35 A T T 34 S+ 0 0 44 -2,-1.1 -1,-0.2 1,-0.2 222,-0.0 0.742 86.5 52.0 -58.6 -27.1 -13.4 -11.8 32.8 34 36 A H T 34 S+ 0 0 167 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.783 112.6 43.4 -82.4 -27.1 -13.2 -12.8 36.4 35 37 A T T <4 S+ 0 0 103 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.695 91.2 100.2 -89.4 -21.9 -11.1 -9.9 37.5 36 38 A A < - 0 0 18 -4,-1.9 2,-0.4 218,-0.1 218,-0.2 -0.413 66.9-145.5 -64.1 138.8 -13.0 -7.3 35.5 37 39 A K E -c 254 0B 138 216,-1.8 218,-2.6 -2,-0.1 2,-0.1 -0.915 14.1-113.3-116.9 136.5 -15.4 -5.5 37.8 38 40 A Y E -c 255 0B 78 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.393 32.3-150.3 -60.7 135.5 -18.9 -4.1 37.0 39 41 A D > - 0 0 31 216,-2.5 3,-1.1 1,-0.1 -1,-0.1 -0.932 16.7-170.5-118.4 110.8 -18.8 -0.3 37.2 40 42 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.717 84.2 68.3 -68.6 -23.0 -22.0 1.6 38.2 41 43 A S T 3 S+ 0 0 88 2,-0.0 2,-0.2 40,-0.0 -2,-0.0 0.668 75.6 105.8 -72.3 -16.6 -20.4 4.9 37.2 42 44 A L < - 0 0 26 -3,-1.1 3,-0.1 213,-0.2 38,-0.0 -0.479 65.0-144.4 -67.8 129.3 -20.6 3.9 33.6 43 45 A K - 0 0 148 37,-1.9 37,-0.4 -2,-0.2 39,-0.1 -0.444 39.4 -70.7 -88.1 165.1 -23.4 5.7 31.7 44 46 A P - 0 0 118 0, 0.0 36,-0.8 0, 0.0 2,-0.3 -0.314 54.9-118.1 -56.9 137.9 -25.4 4.1 28.9 45 47 A L E -D 79 0B 25 34,-0.3 2,-0.5 -3,-0.1 34,-0.2 -0.609 26.8-158.0 -79.3 138.5 -23.2 3.6 25.8 46 48 A S E +D 78 0B 32 32,-3.2 32,-2.3 -2,-0.3 2,-0.7 -0.940 14.2 179.5-125.3 112.0 -24.5 5.4 22.8 47 49 A V E +D 77 0B 33 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.913 6.2 178.3-110.8 103.6 -23.5 4.4 19.3 48 50 A S E +D 76 0B 36 28,-2.6 28,-2.0 -2,-0.7 3,-0.2 -0.800 20.2 146.8-111.1 91.1 -25.1 6.7 16.7 49 51 A Y > + 0 0 2 -2,-0.7 3,-1.7 26,-0.2 130,-0.2 0.255 36.2 109.5-105.8 10.2 -24.0 5.6 13.2 50 52 A D T 3 S+ 0 0 85 1,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.866 85.8 37.9 -54.9 -42.6 -27.3 6.6 11.4 51 53 A Q T 3 S+ 0 0 99 23,-0.2 24,-0.3 -3,-0.2 -1,-0.3 0.192 85.6 142.8 -96.3 17.4 -25.8 9.6 9.6 52 54 A A < - 0 0 18 -3,-1.7 2,-0.5 22,-0.2 18,-0.1 -0.339 33.0-162.9 -62.2 133.9 -22.4 7.9 9.0 53 55 A T - 0 0 62 16,-0.3 16,-2.7 122,-0.1 2,-0.1 -0.910 0.5-161.4-124.6 103.7 -20.9 8.7 5.6 54 56 A S E +E 68 0B 0 -2,-0.5 121,-0.7 122,-0.4 14,-0.3 -0.447 11.9 175.6 -77.9 156.7 -18.1 6.5 4.3 55 57 A L E - 0 0 75 12,-3.0 118,-1.9 1,-0.4 2,-0.3 0.644 53.4 -2.6-129.8 -41.7 -15.9 7.9 1.6 56 58 A R E -EF 67 172B 83 11,-1.0 11,-3.2 116,-0.3 -1,-0.4 -0.988 48.2-137.6-155.8 159.0 -13.0 5.5 0.7 57 59 A I E -EF 66 171B 0 114,-2.5 114,-2.2 -2,-0.3 2,-0.4 -0.981 27.1-170.1-122.3 135.6 -11.3 2.2 1.6 58 60 A L E -EF 65 170B 30 7,-2.5 7,-2.7 -2,-0.4 2,-0.8 -0.982 26.2-145.3-134.7 138.7 -7.5 2.0 1.7 59 61 A N E -E 64 0B 0 110,-2.7 109,-2.9 -2,-0.4 5,-0.2 -0.884 21.3-179.9 -95.8 108.1 -4.9 -0.7 1.9 60 62 A N - 0 0 52 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.237 53.1-101.5 -95.2 13.9 -2.2 1.1 4.0 61 63 A G S S+ 0 0 6 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.432 117.9 56.1 84.4 -2.8 0.2 -1.9 4.0 62 64 A H S S- 0 0 42 1,-0.7 2,-0.3 -58,-0.1 -1,-0.1 0.552 124.5 -33.3-127.0 -32.6 -0.8 -3.0 7.5 63 65 A A S S- 0 0 6 -5,-0.1 -3,-2.0 165,-0.1 -1,-0.7 -0.882 71.3 -86.6-168.8-170.3 -4.5 -3.4 7.2 64 66 A F E -E 59 0B 0 -2,-0.3 2,-0.5 29,-0.2 29,-0.4 -0.974 33.9-152.2-122.2 136.3 -7.4 -1.7 5.2 65 67 A N E -E 58 0B 20 -7,-2.7 -7,-2.5 -2,-0.4 2,-0.8 -0.914 9.8-155.4-111.2 131.4 -9.2 1.3 6.4 66 68 A V E -EG 57 91B 0 25,-2.5 25,-1.5 -2,-0.5 2,-0.3 -0.926 29.8-155.0 -99.6 111.7 -12.8 2.3 5.6 67 69 A E E -EG 56 90B 45 -11,-3.2 -12,-3.0 -2,-0.8 -11,-1.0 -0.656 7.6-156.0 -94.3 148.6 -12.6 6.1 6.1 68 70 A F E -E 54 0B 9 21,-2.7 2,-0.8 -14,-0.3 -14,-0.2 -0.814 28.0-103.1-121.0 160.1 -15.5 8.4 6.9 69 71 A D + 0 0 58 -16,-2.7 -16,-0.3 -2,-0.3 3,-0.3 -0.743 40.5 171.2 -82.1 109.7 -16.3 12.0 6.4 70 72 A D + 0 0 42 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 0.009 44.4 108.1-110.4 27.7 -15.7 13.5 9.9 71 73 A S S S+ 0 0 86 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.576 87.2 32.1 -78.3 -9.3 -16.0 17.2 8.9 72 74 A Q S S- 0 0 118 -3,-0.3 2,-1.2 3,-0.0 3,-0.2 -0.937 100.1 -89.5-141.3 162.1 -19.4 17.3 10.7 73 75 A D S S+ 0 0 86 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.632 75.9 120.8 -78.7 97.8 -20.9 15.5 13.7 74 76 A K + 0 0 64 -2,-1.2 2,-0.8 1,-0.3 -22,-0.2 0.516 64.8 33.2-117.9 -92.9 -22.5 12.4 12.1 75 77 A A S S+ 0 0 5 -24,-0.3 13,-2.9 13,-0.2 2,-0.4 -0.613 81.3 171.3 -73.2 108.9 -21.4 9.0 13.3 76 78 A V E -DH 48 87B 20 -28,-2.0 -28,-2.6 -2,-0.8 2,-0.4 -0.939 29.6-154.0-128.7 149.8 -20.7 9.6 17.0 77 79 A L E +DH 47 86B 0 9,-3.0 9,-2.2 -2,-0.4 2,-0.3 -0.967 31.3 149.1-117.3 130.5 -19.9 7.5 20.1 78 80 A K E +D 46 0B 101 -32,-2.3 -32,-3.2 -2,-0.4 7,-0.1 -0.916 31.8 41.3-150.2 175.5 -20.7 8.8 23.5 79 81 A G E > S+D 45 0B 17 5,-0.5 3,-2.2 3,-0.3 -34,-0.3 -0.326 73.3 79.2 78.6-163.5 -21.8 7.6 27.0 80 82 A G T 3 S- 0 0 5 -36,-0.8 -37,-1.9 -37,-0.4 -1,-0.1 -0.427 123.2 -21.1 61.6-131.0 -20.3 4.7 28.7 81 83 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.469 115.0 113.3 -87.6 -2.0 -16.9 5.7 30.2 82 84 A L < - 0 0 15 -3,-2.2 2,-0.6 -39,-0.1 -3,-0.3 -0.468 55.3-153.7 -80.9 142.4 -16.7 8.6 27.7 83 85 A D - 0 0 113 -2,-0.2 2,-0.1 53,-0.1 -1,-0.0 -0.959 68.7 -15.2-110.6 113.4 -16.8 12.3 28.6 84 86 A G S S- 0 0 40 -2,-0.6 -5,-0.5 39,-0.1 2,-0.4 -0.468 101.0 -38.1 93.4-164.7 -18.2 14.2 25.6 85 87 A T - 0 0 43 -2,-0.1 38,-2.5 -7,-0.1 2,-0.5 -0.873 43.1-162.6-110.0 134.9 -18.6 13.3 22.0 86 88 A Y E -HI 77 122B 3 -9,-2.2 -9,-3.0 -2,-0.4 2,-0.4 -0.962 14.7-142.3-116.4 129.5 -16.2 11.1 19.9 87 89 A R E -HI 76 121B 29 34,-2.8 34,-1.9 -2,-0.5 2,-0.2 -0.780 16.2-120.1 -98.7 130.1 -16.5 11.2 16.1 88 90 A L E + I 0 120B 2 -13,-2.9 32,-0.3 -2,-0.4 -13,-0.2 -0.458 37.8 163.7 -66.0 127.8 -16.0 8.2 13.9 89 91 A I E - 0 0 25 30,-2.8 -21,-2.7 1,-0.4 2,-0.3 0.679 60.1 -25.9-115.9 -31.0 -13.2 8.6 11.4 90 92 A Q E -GI 67 119B 29 29,-1.2 29,-3.0 -23,-0.3 -1,-0.4 -0.980 47.7-145.2-172.5 166.1 -12.4 5.1 10.2 91 93 A F E +GI 66 118B 0 -25,-1.5 -25,-2.5 -2,-0.3 2,-0.3 -0.975 20.4 163.3-142.0 154.6 -12.6 1.4 11.0 92 94 A H E - I 0 117B 24 25,-1.7 25,-3.3 -2,-0.3 2,-0.3 -0.915 23.7-123.5-155.9 178.7 -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,-0.2 -0.838 0.7-148.5-130.6 168.0 -9.6 -5.1 11.3 94 96 A H E + I 0 115B 2 21,-1.5 21,-2.3 -2,-0.3 2,-0.3 -0.985 31.6 168.8-132.4 134.4 -6.8 -7.2 12.5 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.8 -0.949 23.3-121.8-147.0 168.5 -6.9 -10.9 11.5 96 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.7 3,-0.1 -0.395 25.5-115.1-106.9-176.5 -4.9 -14.1 11.5 97 99 A S S S+ 0 0 42 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.604 105.6 31.9 -89.1 -15.6 -3.6 -16.7 9.1 98 100 A L S > S- 0 0 109 3,-0.3 3,-1.6 15,-0.1 -2,-0.2 -0.935 89.8-110.0-137.7 157.9 -5.8 -19.3 10.8 99 101 A D T 3 S+ 0 0 70 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.766 110.7 67.8 -61.7 -25.6 -9.2 -19.1 12.5 100 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 11,-0.3 0.415 107.2 30.3 -77.6 2.5 -7.6 -19.7 15.9 101 103 A Q < + 0 0 51 -3,-1.6 -5,-0.7 12,-0.1 -3,-0.3 -0.978 66.0 96.0-153.5 161.9 -5.8 -16.4 16.0 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.017 55.2 104.8 145.7 -35.3 -6.1 -12.8 14.7 103 105 A S - 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