==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 16-JUL-09 3IBL . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.ALTERIO,G.DE SIMONE . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12135.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 62.8 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 21.7 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 . 15 5.8 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 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 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 0 245 0, 0.0 2,-0.3 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 164.6 12.7 -0.3 6.5 2 4 A H - 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.986 360.0 -84.5-153.9 155.4 9.4 0.2 8.3 3 5 A W + 0 0 55 -2,-0.3 2,-0.2 1,-0.1 7,-0.2 -0.215 60.1 136.1 -61.1 153.6 7.5 -1.4 11.2 4 6 A G - 0 0 6 5,-2.8 10,-0.1 2,-0.1 -1,-0.1 -0.768 63.2 -82.2-165.4-149.0 5.3 -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 0.129 81.9 111.3-126.8 18.5 4.3 -7.8 11.6 6 8 A G S > S- 0 0 39 1,-0.1 4,-1.3 4,-0.1 3,-0.2 -0.250 84.6 -98.2 -84.3 178.7 7.1 -9.9 10.2 7 9 A K T 4 S+ 0 0 181 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.775 123.7 41.3 -68.7 -25.2 9.8 -11.6 12.2 8 10 A H T 4 S+ 0 0 165 1,-0.1 -1,-0.2 5,-0.0 -5,-0.0 0.586 130.1 22.9-100.1 -12.0 12.2 -8.7 11.6 9 11 A N T 4 S+ 0 0 51 -3,-0.2 -5,-2.8 -6,-0.1 -2,-0.2 0.204 96.9 117.7-137.8 15.0 9.9 -5.7 12.0 10 12 A G S >X S- 0 0 2 -4,-1.3 3,-2.6 -5,-0.2 4,-1.0 0.098 83.5 -64.8 -76.3-171.5 7.1 -7.1 14.1 11 13 A P T 34 S+ 0 0 33 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.748 128.5 58.8 -44.2 -37.7 5.8 -6.2 17.6 12 14 A E T 34 S+ 0 0 155 1,-0.2 4,-0.1 2,-0.1 -5,-0.1 0.630 109.4 45.4 -72.9 -11.9 9.0 -7.3 19.4 13 15 A H T X4 S+ 0 0 60 -3,-2.6 3,-1.7 1,-0.1 4,-0.4 0.638 87.7 87.2-102.4 -21.0 10.9 -4.7 17.4 14 16 A W G >X S+ 0 0 5 -4,-1.0 4,-2.4 1,-0.3 3,-1.4 0.788 74.7 68.9 -51.6 -37.1 8.6 -1.7 17.7 15 17 A H G 34 S+ 0 0 67 -4,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.759 87.8 67.8 -57.3 -26.6 10.1 -0.4 21.0 16 18 A K G <4 S+ 0 0 127 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.818 118.2 20.4 -65.9 -31.2 13.3 0.6 19.2 17 19 A D T <4 S+ 0 0 134 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.2 0.590 136.1 39.5-109.2 -17.7 11.6 3.3 17.2 18 20 A F >< - 0 0 59 -4,-2.4 3,-2.7 1,-0.1 -1,-0.2 -0.667 66.0-179.5-132.7 74.8 8.6 3.7 19.4 19 21 A P G > S+ 0 0 101 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 0.708 75.1 75.7 -48.4 -25.1 9.9 3.4 23.1 20 22 A I G > + 0 0 54 1,-0.3 3,-2.8 179,-0.2 -5,-0.1 0.629 69.8 90.6 -65.8 -9.0 6.3 3.9 24.4 21 23 A A G < S+ 0 0 6 -3,-2.7 -1,-0.3 1,-0.3 -6,-0.1 0.751 90.7 44.6 -56.6 -23.5 5.8 0.3 23.3 22 24 A K G < S+ 0 0 137 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.018 96.1 132.2-108.8 25.6 6.9 -0.5 26.8 23 25 A G S < S- 0 0 16 -3,-2.8 3,-0.4 1,-0.1 -3,-0.0 0.131 70.8-101.2 -69.3-175.1 4.7 2.1 28.4 24 26 A E S S+ 0 0 118 1,-0.2 226,-0.2 225,-0.1 -1,-0.1 0.590 113.2 33.9 -87.1 -14.0 2.3 2.1 31.3 25 27 A R S S+ 0 0 48 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.333 79.6 155.4-139.6 57.8 -0.9 1.9 29.3 26 28 A Q - 0 0 3 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.531 32.4-100.1 -87.0 152.6 -0.3 -0.2 26.2 27 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.874 77.8 39.0-126.0 157.8 -2.9 -2.1 24.2 28 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.592 65.9 176.7 -80.5-177.3 -4.2 -4.7 23.6 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.939 36.4 -98.4-142.9 162.5 -4.5 -6.6 26.8 30 32 A D E -a 106 0A 29 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.696 34.3-139.1 -82.1 137.1 -6.0 -9.8 28.0 31 33 A I E -a 107 0A 0 75,-3.1 77,-2.2 -2,-0.4 2,-1.1 -0.864 10.7-159.0-100.8 103.9 -9.4 -9.3 29.5 32 34 A D >> - 0 0 69 -2,-0.8 4,-1.7 75,-0.2 3,-0.9 -0.751 4.6-160.0 -84.2 103.8 -9.7 -11.5 32.6 33 35 A T T 34 S+ 0 0 42 -2,-1.1 -1,-0.2 1,-0.2 222,-0.0 0.760 86.8 52.8 -56.3 -31.0 -13.4 -11.7 32.9 34 36 A H T 34 S+ 0 0 165 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.759 112.2 44.8 -79.3 -23.4 -13.3 -12.8 36.6 35 37 A T T <4 S+ 0 0 108 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.704 91.7 96.8 -90.6 -23.3 -11.1 -9.8 37.6 36 38 A A < - 0 0 18 -4,-1.7 2,-0.4 218,-0.1 218,-0.2 -0.421 68.1-145.3 -65.7 141.4 -13.1 -7.3 35.6 37 39 A K E -c 254 0B 136 216,-1.7 218,-2.6 -2,-0.1 2,-0.1 -0.927 14.2-113.5-118.6 136.7 -15.6 -5.5 37.8 38 40 A Y E -c 255 0B 79 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.408 31.5-151.7 -61.9 134.9 -19.1 -4.2 37.0 39 41 A D > - 0 0 29 216,-2.5 3,-1.4 1,-0.1 -1,-0.1 -0.911 15.6-170.8-117.6 106.5 -19.0 -0.4 37.2 40 42 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.675 83.4 69.2 -67.4 -17.2 -22.3 1.4 38.2 41 43 A S T 3 S+ 0 0 82 2,-0.1 2,-0.3 40,-0.0 -2,-0.0 0.625 75.4 106.3 -77.1 -12.1 -20.8 4.8 37.3 42 44 A L < - 0 0 29 -3,-1.4 3,-0.1 213,-0.2 38,-0.0 -0.509 65.4-142.5 -70.4 131.4 -20.8 3.9 33.6 43 45 A K - 0 0 141 37,-1.8 37,-0.5 -2,-0.3 39,-0.1 -0.457 38.4 -72.7 -88.3 164.6 -23.6 5.6 31.7 44 46 A P - 0 0 118 0, 0.0 36,-0.7 0, 0.0 2,-0.3 -0.329 53.9-117.6 -58.2 137.5 -25.5 3.9 28.9 45 47 A L E -D 79 0B 24 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.595 26.9-157.8 -78.4 138.0 -23.3 3.6 25.8 46 48 A S E -D 78 0B 35 32,-3.2 32,-2.3 -2,-0.3 2,-0.7 -0.951 13.1-178.0-123.9 113.5 -24.6 5.4 22.7 47 49 A V E +D 77 0B 33 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.927 6.5 179.3-110.0 106.3 -23.6 4.4 19.2 48 50 A S E +D 76 0B 38 28,-2.7 28,-2.1 -2,-0.7 3,-0.2 -0.792 22.0 144.6-112.6 89.1 -25.2 6.9 16.7 49 51 A Y > + 0 0 2 -2,-0.7 3,-1.7 26,-0.2 130,-0.2 0.211 33.7 112.0-107.2 12.6 -24.1 5.9 13.2 50 52 A D T 3 S+ 0 0 86 1,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.853 85.5 37.3 -54.7 -40.4 -27.3 6.7 11.4 51 53 A Q T 3 S+ 0 0 105 23,-0.4 24,-0.3 -3,-0.2 -1,-0.3 0.158 84.2 147.8-100.3 19.1 -25.7 9.6 9.5 52 54 A A < - 0 0 20 -3,-1.7 2,-0.5 22,-0.3 18,-0.1 -0.261 31.9-159.4 -57.2 135.8 -22.4 8.0 8.9 53 55 A T - 0 0 58 16,-0.3 16,-2.9 122,-0.1 2,-0.1 -0.876 4.5-164.8-123.5 97.8 -20.7 9.0 5.6 54 56 A S E +E 68 0B 0 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.467 10.9 175.0 -77.4 153.6 -18.1 6.6 4.4 55 57 A L E - 0 0 73 12,-3.1 118,-2.4 1,-0.4 2,-0.3 0.695 51.2 -5.7-126.2 -47.3 -15.8 7.8 1.7 56 58 A R E -EF 67 172B 83 11,-0.8 11,-3.2 116,-0.3 2,-0.4 -0.981 47.5-135.5-154.2 159.8 -13.0 5.5 0.7 57 59 A I E -EF 66 171B 0 114,-2.4 114,-2.1 -2,-0.3 2,-0.4 -0.981 27.7-169.5-121.9 133.9 -11.3 2.2 1.6 58 60 A L E -EF 65 170B 31 7,-2.5 7,-2.6 -2,-0.4 2,-0.8 -0.978 25.6-145.5-132.7 137.3 -7.5 2.0 1.7 59 61 A N E -E 64 0B 0 110,-2.8 109,-2.8 -2,-0.4 5,-0.2 -0.880 21.7-179.7 -94.4 110.1 -4.9 -0.7 1.9 60 62 A N - 0 0 55 3,-1.9 4,-0.1 -2,-0.8 -1,-0.1 0.229 53.7 -99.4 -97.3 14.6 -2.2 1.0 4.0 61 63 A G S S+ 0 0 8 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.440 118.6 54.7 85.4 -2.7 0.2 -1.9 4.0 62 64 A H S S- 0 0 35 1,-0.7 2,-0.2 -58,-0.1 -1,-0.1 0.581 124.3 -33.2-126.7 -39.7 -0.8 -3.1 7.4 63 65 A A S S- 0 0 6 -5,-0.1 -3,-1.9 31,-0.1 -1,-0.7 -0.796 72.2 -86.6-160.8-164.5 -4.6 -3.5 7.2 64 66 A F E -E 59 0B 0 -2,-0.2 29,-0.5 -5,-0.2 2,-0.5 -0.986 33.4-150.1-125.3 137.4 -7.4 -1.7 5.2 65 67 A N E -E 58 0B 20 -7,-2.6 -7,-2.5 -2,-0.4 2,-0.8 -0.906 7.4-154.6-109.0 131.6 -9.1 1.4 6.4 66 68 A V E -EG 57 91B 0 25,-2.7 25,-1.7 -2,-0.5 2,-0.3 -0.932 29.7-151.6-100.5 112.9 -12.7 2.3 5.6 67 69 A E E -EG 56 90B 46 -11,-3.2 -12,-3.1 -2,-0.8 -11,-0.8 -0.651 9.8-157.4 -93.1 146.0 -12.6 6.1 6.0 68 70 A F E -E 54 0B 8 21,-2.6 2,-0.9 -2,-0.3 -14,-0.2 -0.849 28.0-106.7-121.1 155.8 -15.4 8.4 7.0 69 71 A D + 0 0 52 -16,-2.9 3,-0.3 -2,-0.3 -16,-0.3 -0.717 39.2 172.8 -79.8 108.6 -16.2 12.1 6.6 70 72 A D + 0 0 44 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 -0.073 47.2 104.4-109.8 32.5 -15.6 13.5 10.1 71 73 A S S S+ 0 0 81 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.581 87.4 34.7 -86.0 -12.2 -16.0 17.2 9.2 72 74 A Q S S- 0 0 108 -3,-0.3 2,-1.4 3,-0.0 3,-0.3 -0.968 99.2 -96.8-137.9 151.9 -19.4 17.2 10.8 73 75 A D S S+ 0 0 81 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.566 75.9 121.6 -73.4 96.3 -20.9 15.4 13.8 74 76 A K + 0 0 66 -2,-1.4 2,-0.9 1,-0.3 -23,-0.4 0.630 66.6 37.4-115.2 -78.4 -22.5 12.4 12.1 75 77 A A S S+ 0 0 6 -3,-0.3 13,-3.3 -6,-0.3 2,-0.3 -0.710 81.9 164.4 -82.7 105.9 -21.2 9.1 13.3 76 78 A V E -DH 48 87B 16 -28,-2.1 -28,-2.7 -2,-0.9 2,-0.4 -0.925 31.5-154.0-130.3 154.9 -20.6 9.6 17.0 77 79 A L E +DH 47 86B 0 9,-2.9 9,-2.1 -2,-0.3 2,-0.3 -0.986 29.7 150.1-123.5 130.5 -19.9 7.5 20.1 78 80 A K E +D 46 0B 102 -32,-2.3 -32,-3.2 -2,-0.4 7,-0.1 -0.902 32.9 43.8-149.0 176.9 -20.9 8.8 23.5 79 81 A G E > S+D 45 0B 16 5,-0.5 3,-2.1 3,-0.3 -34,-0.3 -0.322 73.6 78.1 79.0-164.8 -21.9 7.6 26.9 80 82 A G T 3 S- 0 0 4 -36,-0.7 -37,-1.8 -37,-0.5 -1,-0.1 -0.433 123.3 -21.8 62.2-131.1 -20.4 4.6 28.7 81 83 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.520 114.3 114.1 -87.3 -5.0 -17.1 5.7 30.2 82 84 A L < - 0 0 17 -3,-2.1 2,-0.6 -39,-0.1 -3,-0.3 -0.422 55.5-153.3 -77.7 140.1 -16.8 8.6 27.8 83 85 A D - 0 0 112 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.947 68.8 -18.0-108.0 111.4 -17.0 12.3 28.7 84 86 A G S S- 0 0 38 -2,-0.6 -5,-0.5 39,-0.1 2,-0.4 -0.535 101.3 -33.9 95.8-159.6 -18.3 14.2 25.7 85 87 A T - 0 0 39 -2,-0.2 38,-2.6 -7,-0.1 2,-0.5 -0.901 42.8-164.2-113.4 132.7 -18.6 13.3 22.0 86 88 A Y E -HI 77 122B 3 -9,-2.1 -9,-2.9 -2,-0.4 2,-0.4 -0.962 14.8-144.3-116.5 127.1 -16.3 11.1 20.0 87 89 A R E -HI 76 121B 34 34,-2.8 34,-2.0 -2,-0.5 -11,-0.2 -0.759 17.1-119.0 -96.8 132.7 -16.5 11.3 16.2 88 90 A L E + I 0 120B 2 -13,-3.3 32,-0.3 -2,-0.4 -13,-0.2 -0.477 37.0 165.4 -68.4 129.4 -16.0 8.2 13.9 89 91 A I E - 0 0 37 30,-2.9 -21,-2.6 1,-0.4 2,-0.3 0.695 59.8 -26.6-115.0 -33.1 -13.0 8.7 11.6 90 92 A Q E -GI 67 119B 35 29,-1.2 29,-2.9 -23,-0.2 -1,-0.4 -0.979 47.6-143.8-172.7 162.9 -12.3 5.1 10.3 91 93 A F E +GI 66 118B 0 -25,-1.7 -25,-2.7 -2,-0.3 2,-0.3 -0.963 21.3 162.9-137.0 155.6 -12.5 1.4 11.0 92 94 A H E - I 0 117B 23 25,-1.7 25,-3.1 -2,-0.3 2,-0.3 -0.935 24.0-123.2-157.4 175.4 -10.2 -1.5 10.2 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.2 -0.807 1.0-149.0-127.5 167.4 -9.6 -5.0 11.3 94 96 A H E + I 0 115B 3 21,-1.5 21,-2.3 -2,-0.3 2,-0.3 -0.991 31.8 167.6-131.8 132.8 -6.8 -7.2 12.6 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.8 -0.944 24.4-120.6-146.7 168.4 -6.9 -10.9 11.6 96 98 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.7 3,-0.1 -0.397 24.9-117.6-105.1-178.1 -5.0 -14.1 11.6 97 99 A S S S+ 0 0 41 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.614 105.8 31.4 -88.9 -16.7 -3.6 -16.7 9.1 98 100 A L S > S- 0 0 112 3,-0.2 3,-1.6 15,-0.1 -2,-0.2 -0.933 90.0-110.7-136.8 157.5 -5.8 -19.3 10.8 99 101 A D T 3 S+ 0 0 71 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.738 109.5 71.2 -63.2 -22.3 -9.2 -19.0 12.6 100 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.432 106.8 25.0 -76.4 0.7 -7.5 -19.7 15.9 101 103 A Q < + 0 0 59 -3,-1.6 -5,-0.7 12,-0.1 -3,-0.2 -0.973 65.5 100.5-155.7 164.5 -5.8 -16.3 16.1 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.003 55.2 104.5 146.0 -34.5 -6.2 -12.8 14.8 103 105 A S - 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