==== 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-JUL-07 2QOA . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.D'AMBROSIO,G.DE SIMONE . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 21.8 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 . 24 9.3 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 . 0 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 0 175 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-152.2 9.7 0.2 8.4 2 5 A W + 0 0 43 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.212 360.0 134.8 -63.2 154.4 7.7 -1.5 11.2 3 6 A G - 0 0 6 5,-2.8 10,-0.1 2,-0.1 -1,-0.1 -0.770 63.8 -79.5-166.6-147.9 5.4 -4.4 10.4 4 7 A Y S S+ 0 0 36 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.175 82.6 111.3-125.1 16.4 4.4 -7.9 11.5 5 8 A G S > S- 0 0 39 4,-0.1 4,-1.5 1,-0.1 3,-0.5 -0.227 84.1 -96.2 -84.0 177.3 7.3 -9.9 10.2 6 9 A K T 4 S+ 0 0 176 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.832 123.9 37.3 -63.1 -33.3 10.1 -11.7 12.2 7 10 A H T 4 S+ 0 0 160 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.486 130.8 26.3-101.2 -1.9 12.5 -8.8 11.7 8 11 A N T 4 S+ 0 0 58 -3,-0.5 -5,-2.8 -6,-0.1 -2,-0.2 0.224 95.4 116.1-141.6 13.5 10.1 -5.8 12.0 9 12 A G S >X S- 0 0 2 -4,-1.5 3,-2.6 -5,-0.2 4,-1.0 0.093 84.6 -64.7 -76.5-171.2 7.3 -7.2 14.1 10 13 A P T 34 S+ 0 0 31 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.729 128.3 59.7 -45.7 -34.6 5.9 -6.3 17.6 11 14 A E T 34 S+ 0 0 159 1,-0.2 -5,-0.0 2,-0.1 -2,-0.0 0.605 109.4 44.8 -75.5 -9.7 9.1 -7.4 19.4 12 15 A H T X4 S+ 0 0 58 -3,-2.6 3,-1.8 1,-0.1 4,-0.4 0.645 87.8 87.2-104.4 -22.2 11.1 -4.8 17.4 13 16 A W G >X S+ 0 0 5 -4,-1.0 4,-2.4 1,-0.3 3,-1.2 0.785 75.2 68.8 -50.8 -37.0 8.7 -1.8 17.7 14 17 A H G 34 S+ 0 0 69 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.741 87.6 68.1 -58.1 -24.6 10.2 -0.5 21.0 15 18 A K G <4 S+ 0 0 127 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.841 118.1 20.3 -66.8 -33.4 13.4 0.5 19.3 16 19 A D T <4 S+ 0 0 120 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.607 135.9 39.8-107.5 -17.4 11.8 3.2 17.3 17 20 A F >< + 0 0 44 -4,-2.4 3,-2.3 1,-0.1 -1,-0.2 -0.731 65.9 179.9-133.0 79.0 8.7 3.7 19.5 18 21 A P G > S+ 0 0 101 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 0.718 74.5 76.0 -53.6 -24.6 9.9 3.4 23.1 19 22 A I G > S+ 0 0 54 1,-0.3 3,-2.3 179,-0.2 -5,-0.1 0.584 70.4 90.1 -66.0 -6.6 6.4 3.9 24.4 20 23 A A G < S+ 0 0 6 -3,-2.3 -1,-0.3 1,-0.3 -6,-0.1 0.748 89.9 45.3 -60.2 -23.7 5.8 0.3 23.3 21 24 A K G < S+ 0 0 141 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.1 -0.075 96.3 133.9-108.5 29.7 7.0 -0.6 26.8 22 25 A G S < S- 0 0 15 -3,-2.3 3,-0.4 1,-0.1 -3,-0.0 0.081 70.1-102.0 -72.7-174.8 4.7 2.0 28.4 23 26 A E S S+ 0 0 120 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.547 113.2 32.9 -88.4 -10.6 2.3 2.0 31.3 24 27 A R S S+ 0 0 47 224,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.306 79.8 155.6-143.7 57.9 -0.9 1.8 29.3 25 28 A Q - 0 0 2 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.525 32.4 -99.5 -87.2 152.7 -0.3 -0.2 26.2 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.880 78.5 39.6-125.7 157.9 -2.8 -2.2 24.2 27 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.583 66.3 177.3 -80.2-178.6 -4.1 -4.7 23.5 28 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.928 35.5 -98.8-140.9 163.6 -4.5 -6.6 26.8 29 32 A D E -a 105 0A 33 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.710 34.1-136.8 -83.8 139.2 -5.9 -9.9 28.0 30 33 A I E -a 106 0A 0 75,-3.0 77,-2.2 -2,-0.4 2,-1.2 -0.854 11.6-159.7-100.9 102.6 -9.4 -9.5 29.5 31 34 A D >> - 0 0 66 -2,-0.8 4,-1.8 75,-0.2 3,-0.8 -0.726 4.7-162.5 -82.8 100.0 -9.6 -11.6 32.6 32 35 A T T 34 S+ 0 0 41 -2,-1.2 -1,-0.2 1,-0.2 222,-0.0 0.777 86.0 51.7 -55.2 -31.8 -13.4 -11.8 32.9 33 36 A H T 34 S+ 0 0 163 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.783 112.3 44.8 -78.8 -25.8 -13.3 -12.9 36.6 34 37 A T T <4 S+ 0 0 102 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.704 91.6 98.7 -88.3 -22.8 -11.0 -9.9 37.6 35 38 A A < - 0 0 18 -4,-1.8 2,-0.4 218,-0.1 218,-0.2 -0.415 67.0-146.3 -64.9 139.7 -13.1 -7.4 35.6 36 39 A K E -c 253 0B 138 216,-1.7 218,-2.5 -2,-0.1 2,-0.1 -0.924 14.4-113.1-118.5 137.0 -15.5 -5.5 37.9 37 40 A Y E -c 254 0B 103 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.392 31.2-151.6 -61.1 134.9 -19.0 -4.2 37.1 38 41 A D > - 0 0 31 216,-2.5 3,-1.5 1,-0.1 -1,-0.1 -0.905 15.7-171.1-118.9 104.9 -18.9 -0.4 37.3 39 42 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.690 83.5 69.4 -64.1 -20.4 -22.2 1.4 38.3 40 43 A S T 3 S+ 0 0 76 2,-0.0 2,-0.2 40,-0.0 -2,-0.0 0.660 75.6 105.7 -74.3 -15.0 -20.7 4.8 37.4 41 44 A L < - 0 0 27 -3,-1.5 3,-0.1 213,-0.2 38,-0.0 -0.460 65.5-142.0 -68.4 134.3 -20.8 3.8 33.7 42 45 A K - 0 0 139 37,-1.9 37,-0.4 -2,-0.2 39,-0.1 -0.487 38.6 -73.5 -90.7 164.2 -23.5 5.6 31.7 43 46 A P - 0 0 118 0, 0.0 36,-0.7 0, 0.0 2,-0.3 -0.334 54.2-116.2 -58.7 138.1 -25.5 3.8 29.0 44 47 A L E -D 78 0B 25 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.579 28.1-159.2 -77.7 139.3 -23.4 3.4 25.8 45 48 A S E -D 77 0B 42 32,-2.9 32,-2.2 -2,-0.3 2,-0.7 -0.940 13.4-179.9-126.9 111.0 -24.6 5.3 22.8 46 49 A V E +D 76 0B 34 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.928 6.0 179.4-109.8 108.1 -23.6 4.3 19.3 47 50 A S E +D 75 0B 40 28,-2.8 28,-2.2 -2,-0.7 3,-0.2 -0.819 21.2 146.2-114.4 91.9 -25.2 6.7 16.8 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.6 26,-0.2 130,-0.2 0.210 34.5 112.1-108.8 12.7 -24.2 5.7 13.2 49 52 A D T 3 S+ 0 0 86 1,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.828 85.5 37.1 -55.8 -37.8 -27.4 6.6 11.5 50 53 A Q T 3 S+ 0 0 124 23,-0.3 24,-0.3 -3,-0.2 -1,-0.3 0.142 84.5 146.6-103.0 19.7 -25.9 9.6 9.5 51 54 A A < - 0 0 21 -3,-1.6 2,-0.5 22,-0.2 18,-0.1 -0.297 32.6-159.2 -60.1 136.1 -22.5 7.9 8.9 52 55 A T - 0 0 52 16,-0.3 16,-2.8 122,-0.1 2,-0.1 -0.880 4.1-165.0-122.8 98.4 -20.9 8.9 5.6 53 56 A S E +E 67 0B 0 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.490 11.8 172.9 -78.1 152.3 -18.2 6.5 4.4 54 57 A L E - 0 0 79 12,-3.0 118,-2.0 1,-0.4 2,-0.3 0.665 51.8 -3.8-128.8 -39.8 -16.0 7.8 1.6 55 58 A R E -EF 66 171B 85 11,-1.0 11,-3.2 116,-0.3 -1,-0.4 -0.987 47.8-136.0-158.4 159.7 -13.1 5.5 0.7 56 59 A I E -EF 65 170B 0 114,-2.4 114,-2.0 -2,-0.3 2,-0.4 -0.986 26.8-168.8-124.0 134.5 -11.4 2.2 1.6 57 60 A L E -EF 64 169B 31 7,-2.5 7,-2.5 -2,-0.4 2,-0.8 -0.978 24.6-146.1-132.3 136.3 -7.6 2.1 1.7 58 61 A N E +E 63 0B 0 110,-2.7 109,-2.8 -2,-0.4 5,-0.2 -0.876 21.2 179.4 -94.3 109.8 -4.9 -0.6 2.0 59 62 A N - 0 0 54 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.306 53.0-102.2 -96.2 10.5 -2.2 1.1 4.1 60 63 A G S S+ 0 0 6 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.475 117.4 57.1 85.5 1.7 0.1 -1.9 4.1 61 64 A H S S- 0 0 51 1,-0.7 2,-0.3 -58,-0.1 166,-0.1 0.494 124.6 -35.0-132.2 -26.3 -0.9 -2.9 7.6 62 65 A A S S- 0 0 5 164,-0.1 -3,-2.0 -5,-0.1 -1,-0.7 -0.897 71.1 -87.2-175.4-169.6 -4.6 -3.4 7.3 63 66 A F E -E 58 0B 0 -2,-0.3 29,-0.5 29,-0.2 2,-0.5 -0.990 33.0-151.0-125.9 135.8 -7.4 -1.7 5.3 64 67 A N E -E 57 0B 21 -7,-2.5 -7,-2.5 -2,-0.4 2,-0.8 -0.899 8.5-154.1-109.1 131.0 -9.3 1.4 6.5 65 68 A V E -EG 56 90B 0 25,-2.6 25,-1.6 -2,-0.5 2,-0.3 -0.923 30.7-152.4 -98.8 112.0 -12.9 2.3 5.6 66 69 A E E -EG 55 89B 44 -11,-3.2 -12,-3.0 -2,-0.8 -11,-1.0 -0.654 10.2-158.5 -93.7 146.6 -12.8 6.0 6.1 67 70 A F E -E 53 0B 9 21,-2.6 2,-0.9 -2,-0.3 -14,-0.2 -0.827 28.9-104.4-120.6 158.0 -15.6 8.3 7.0 68 71 A D + 0 0 38 -16,-2.8 3,-0.3 -2,-0.3 -16,-0.3 -0.738 39.5 172.3 -82.0 109.1 -16.3 12.0 6.6 69 72 A D + 0 0 42 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 -0.061 45.8 107.2-108.6 31.0 -15.8 13.4 10.0 70 73 A S S S+ 0 0 85 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.575 86.4 33.6 -83.9 -9.1 -16.1 17.1 9.1 71 74 A Q S S- 0 0 124 -3,-0.3 2,-1.6 3,-0.0 3,-0.2 -0.913 99.8 -91.9-138.6 163.1 -19.5 17.2 10.8 72 75 A D S S+ 0 0 95 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.615 76.9 121.7 -81.8 88.9 -21.1 15.5 13.8 73 76 A K + 0 0 35 -2,-1.6 2,-0.8 1,-0.3 -23,-0.3 0.674 65.2 31.6-108.9 -88.9 -22.6 12.5 12.1 74 77 A A S S+ 0 0 5 -24,-0.3 13,-2.8 13,-0.2 -1,-0.3 -0.671 82.2 169.0 -77.9 112.5 -21.5 9.0 13.3 75 78 A V E -DH 47 86B 18 -28,-2.2 -28,-2.8 -2,-0.8 2,-0.4 -0.929 30.8-152.7-131.9 153.7 -20.7 9.5 17.0 76 79 A L E +DH 46 85B 0 9,-3.1 9,-2.3 -2,-0.3 2,-0.3 -0.981 30.9 147.1-121.8 131.7 -20.0 7.4 20.1 77 80 A K E +D 45 0B 70 -32,-2.2 -32,-2.9 -2,-0.4 7,-0.1 -0.899 32.8 46.6-150.4 179.1 -20.9 8.7 23.6 78 81 A G E > S+D 44 0B 19 5,-0.5 3,-2.2 3,-0.4 -34,-0.3 -0.323 73.1 77.6 78.3-163.9 -21.9 7.5 27.0 79 82 A G T 3 S- 0 0 4 -36,-0.7 -37,-1.9 -37,-0.4 -1,-0.1 -0.411 123.4 -21.7 60.8-131.8 -20.4 4.5 28.8 80 83 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.468 114.8 112.2 -87.6 -1.7 -17.0 5.6 30.3 81 84 A L < - 0 0 18 -3,-2.2 2,-0.6 -39,-0.1 -3,-0.4 -0.514 55.0-154.6 -82.6 139.7 -16.8 8.6 27.8 82 85 A D - 0 0 120 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.949 68.7 -12.1-108.4 114.9 -17.1 12.2 28.7 83 86 A G S S- 0 0 36 -2,-0.6 -5,-0.5 39,-0.1 2,-0.4 -0.514 101.4 -38.2 96.4-163.2 -18.3 14.2 25.7 84 87 A T - 0 0 33 -2,-0.2 38,-2.6 -7,-0.1 2,-0.5 -0.899 42.7-162.8-112.1 132.1 -18.7 13.2 22.1 85 88 A Y E -HI 76 121B 4 -9,-2.3 -9,-3.1 -2,-0.4 2,-0.4 -0.953 14.6-143.7-114.1 128.5 -16.4 11.1 20.0 86 89 A R E -HI 75 120B 30 34,-2.6 34,-2.0 -2,-0.5 2,-0.3 -0.778 16.2-119.3 -98.8 131.5 -16.6 11.2 16.2 87 90 A L E + I 0 119B 2 -13,-2.8 32,-0.3 -2,-0.4 -13,-0.2 -0.465 37.3 164.1 -68.0 127.5 -16.1 8.1 13.9 88 91 A I E - 0 0 36 30,-2.8 -21,-2.6 1,-0.4 2,-0.3 0.700 60.4 -26.7-113.7 -33.3 -13.2 8.6 11.5 89 92 A Q E -GI 66 118B 34 29,-1.2 29,-2.9 -23,-0.2 -1,-0.4 -0.980 47.2-144.1-172.3 164.9 -12.5 5.0 10.3 90 93 A F E +GI 65 117B 0 -25,-1.6 -25,-2.6 -2,-0.3 2,-0.3 -0.971 22.0 162.0-139.8 154.4 -12.7 1.4 11.0 91 94 A H E - I 0 116B 24 25,-1.8 25,-3.3 -2,-0.3 2,-0.3 -0.924 24.0-122.9-157.3 177.4 -10.4 -1.5 10.2 92 95 A F E - I 0 115B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.2 -0.820 1.1-149.4-129.8 168.5 -9.7 -5.1 11.3 93 96 A H E + I 0 114B 2 21,-1.5 21,-2.2 -2,-0.3 2,-0.3 -0.987 31.3 167.2-134.0 134.7 -6.8 -7.3 12.5 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.8 -0.946 24.1-120.8-148.3 169.4 -6.9 -11.0 11.6 95 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.7 3,-0.1 -0.397 25.7-115.7-107.2-176.5 -4.9 -14.2 11.5 96 99 A S S S+ 0 0 44 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.571 105.5 33.4 -90.7 -13.1 -3.6 -16.7 9.1 97 100 A L S > S- 0 0 107 3,-0.3 3,-1.5 15,-0.1 -2,-0.2 -0.947 88.4-112.7-138.9 156.0 -5.8 -19.3 10.8 98 101 A D T 3 S+ 0 0 70 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.746 109.6 70.0 -62.7 -23.4 -9.2 -19.1 12.5 99 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.402 107.6 25.5 -77.6 4.3 -7.6 -19.9 15.9 100 103 A Q < + 0 0 53 -3,-1.5 -5,-0.7 12,-0.1 -3,-0.3 -0.975 65.5 100.3-157.8 164.1 -5.8 -16.5 16.1 101 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.038 54.2 105.0 144.9 -33.3 -6.2 -12.9 14.8 102 105 A S - 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