==== 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 14-NOV-05 2F14 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.ALTERIO,C.PEDONE,G.DE SIMONE . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 63.8 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 . 26 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.0 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 0 165 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-146.9 9.7 0.3 8.7 2 5 A W + 0 0 37 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.289 360.0 137.7 -69.4 153.3 7.6 -1.5 11.3 3 6 A G - 0 0 8 5,-2.9 10,-0.1 2,-0.2 -1,-0.1 -0.708 62.2 -83.2-162.1-146.9 5.4 -4.4 10.4 4 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.221 82.1 111.9-126.0 12.2 4.3 -7.8 11.7 5 8 A G S > S- 0 0 39 1,-0.1 4,-1.2 4,-0.1 3,-0.4 -0.173 84.1 -98.9 -78.5 177.7 7.2 -9.9 10.3 6 9 A K T 4 S+ 0 0 181 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.773 123.3 42.9 -68.7 -25.2 9.9 -11.7 12.3 7 10 A H T 4 S+ 0 0 154 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.546 130.2 21.3 -99.4 -8.1 12.3 -8.9 11.7 8 11 A N T 4 S+ 0 0 59 -3,-0.4 -5,-2.9 -6,-0.1 -2,-0.2 0.178 95.7 120.7-143.5 17.8 10.0 -5.8 12.2 9 12 A G S >X S- 0 0 4 -4,-1.2 3,-3.0 -5,-0.2 4,-1.0 0.032 82.4 -65.7 -77.8-174.2 7.2 -7.2 14.3 10 13 A P T 34 S+ 0 0 28 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.738 128.5 60.0 -41.7 -37.0 5.8 -6.2 17.7 11 14 A E T 34 S+ 0 0 143 1,-0.2 4,-0.1 2,-0.1 -5,-0.0 0.606 108.9 44.6 -74.1 -9.8 8.9 -7.3 19.6 12 15 A H T X4 S+ 0 0 57 -3,-3.0 3,-1.8 1,-0.1 4,-0.4 0.627 87.6 87.8-104.7 -19.8 11.0 -4.8 17.6 13 16 A W G >X S+ 0 0 4 -4,-1.0 4,-2.6 1,-0.3 3,-1.4 0.799 74.8 69.5 -51.4 -36.5 8.7 -1.8 17.8 14 17 A H G 34 S+ 0 0 67 -4,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.754 87.3 67.3 -57.3 -26.2 10.1 -0.5 21.1 15 18 A K G <4 S+ 0 0 133 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.831 118.6 20.7 -65.9 -32.2 13.4 0.4 19.4 16 19 A D T <4 S+ 0 0 117 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.2 0.616 135.7 40.2-107.4 -19.6 11.7 3.2 17.4 17 20 A F >< + 0 0 41 -4,-2.6 3,-2.3 -5,-0.2 -1,-0.2 -0.708 65.0 179.8-131.7 79.1 8.7 3.6 19.6 18 21 A P G > S+ 0 0 101 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.718 74.9 75.7 -52.5 -26.1 9.8 3.4 23.3 19 22 A I G > S+ 0 0 55 1,-0.3 3,-2.4 179,-0.2 5,-0.2 0.608 71.4 89.7 -64.9 -6.8 6.3 3.9 24.6 20 23 A A G < S+ 0 0 5 -3,-2.3 -1,-0.3 1,-0.3 -6,-0.1 0.787 89.4 45.8 -58.6 -27.6 5.8 0.3 23.5 21 24 A K G < S+ 0 0 143 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.016 95.4 134.3-103.2 25.0 7.0 -0.7 27.0 22 25 A G < - 0 0 17 -3,-2.4 3,-0.4 1,-0.1 -3,-0.0 0.095 69.1-109.6 -67.8-178.4 4.7 2.0 28.5 23 26 A E S S+ 0 0 119 1,-0.2 227,-0.1 169,-0.0 -1,-0.1 0.467 111.4 41.1 -93.2 -3.7 2.3 1.8 31.5 24 27 A R S S+ 0 0 45 -5,-0.2 -1,-0.2 2,-0.1 2,-0.2 -0.243 80.0 151.5-140.3 49.1 -0.9 1.9 29.4 25 28 A Q - 0 0 2 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.527 33.2-102.8 -89.2 151.5 -0.4 -0.2 26.4 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.1 -0.868 76.9 39.3-123.9 157.3 -2.9 -2.2 24.3 27 30 A P + 0 0 0 0, 0.0 218,-2.6 0, 0.0 2,-0.3 0.599 66.2 178.3 -80.9-177.7 -4.2 -4.7 23.7 28 31 A V - 0 0 0 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.933 35.4-100.6-140.7 162.1 -4.6 -6.6 26.9 29 32 A D E -a 105 0A 33 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.719 34.4-137.8 -83.4 136.2 -6.0 -9.9 28.0 30 33 A I E -a 106 0A 0 75,-3.2 77,-2.5 -2,-0.4 2,-1.1 -0.861 11.7-160.5 -99.5 105.6 -9.4 -9.4 29.6 31 34 A D >> - 0 0 67 -2,-0.8 4,-1.6 75,-0.2 3,-1.1 -0.783 4.3-162.0 -85.5 102.4 -9.7 -11.6 32.6 32 35 A T T 34 S+ 0 0 43 -2,-1.1 -1,-0.2 1,-0.3 222,-0.0 0.763 86.3 55.2 -59.2 -28.4 -13.5 -11.8 33.0 33 36 A H T 34 S+ 0 0 164 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.725 111.8 43.4 -78.8 -20.4 -13.3 -12.9 36.6 34 37 A T T <4 S+ 0 0 103 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.653 92.5 96.1 -96.2 -20.5 -11.1 -9.9 37.6 35 38 A A < - 0 0 18 -4,-1.6 2,-0.4 218,-0.1 218,-0.2 -0.461 68.0-144.9 -69.2 143.3 -13.1 -7.4 35.6 36 39 A K E -c 253 0B 141 216,-1.6 218,-2.9 -2,-0.1 2,-0.1 -0.927 14.3-113.9-119.4 138.3 -15.7 -5.6 37.9 37 40 A Y E -c 254 0B 108 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.446 31.7-151.2 -63.4 134.4 -19.1 -4.3 37.1 38 41 A D > - 0 0 33 216,-2.6 3,-1.5 1,-0.1 -1,-0.1 -0.913 15.7-170.2-117.6 105.7 -19.1 -0.5 37.3 39 42 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.711 84.0 69.2 -63.4 -21.9 -22.4 1.1 38.3 40 43 A S T 3 S+ 0 0 87 2,-0.0 2,-0.3 40,-0.0 -2,-0.0 0.614 74.3 107.5 -74.3 -12.2 -20.9 4.5 37.5 41 44 A L < - 0 0 31 -3,-1.5 3,-0.1 213,-0.2 38,-0.0 -0.527 64.5-142.7 -71.4 127.7 -20.9 3.7 33.8 42 45 A K - 0 0 139 37,-1.5 37,-0.5 -2,-0.3 39,-0.1 -0.420 39.3 -72.1 -84.2 163.0 -23.6 5.6 31.9 43 46 A P - 0 0 119 0, 0.0 36,-0.8 0, 0.0 2,-0.3 -0.286 52.7-118.2 -56.7 138.4 -25.5 3.9 29.0 44 47 A L E -D 78 0B 25 34,-0.3 2,-0.5 -3,-0.1 34,-0.2 -0.641 27.1-158.6 -81.4 135.8 -23.4 3.5 25.9 45 48 A S E -D 77 0B 48 32,-3.2 32,-2.5 -2,-0.3 2,-0.7 -0.934 13.1-177.5-123.2 111.6 -24.6 5.4 22.8 46 49 A V E -D 76 0B 34 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.911 6.3-179.6-107.0 106.8 -23.6 4.4 19.3 47 50 A S E +D 75 0B 39 28,-2.7 28,-2.1 -2,-0.7 3,-0.2 -0.776 23.6 142.9-111.3 87.1 -25.2 6.9 16.9 48 51 A Y > + 0 0 2 -2,-0.7 3,-1.5 26,-0.2 130,-0.2 0.208 35.0 108.9-107.4 13.3 -24.2 5.8 13.4 49 52 A D T 3 S+ 0 0 86 1,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.833 86.4 38.9 -60.6 -33.7 -27.4 6.7 11.6 50 53 A Q T 3 S+ 0 0 124 23,-0.3 24,-0.3 -3,-0.2 -1,-0.3 0.155 84.6 146.6-102.9 18.7 -25.9 9.7 9.7 51 54 A A < - 0 0 23 -3,-1.5 2,-0.5 22,-0.2 18,-0.1 -0.258 33.4-159.0 -57.6 137.7 -22.5 8.0 9.1 52 55 A T - 0 0 46 16,-0.3 16,-2.6 122,-0.1 2,-0.1 -0.834 6.0-167.3-123.9 92.0 -20.9 9.0 5.8 53 56 A S E +E 67 0B 1 -2,-0.5 121,-0.7 122,-0.4 14,-0.3 -0.463 11.4 171.9 -73.8 151.4 -18.3 6.5 4.6 54 57 A L E - 0 0 79 12,-3.1 118,-2.5 1,-0.4 2,-0.3 0.679 49.9 -0.9-128.7 -43.7 -16.1 7.8 1.8 55 58 A R E -EF 66 171B 86 11,-1.0 11,-3.2 116,-0.3 2,-0.4 -0.980 47.3-137.8-153.2 159.2 -13.2 5.5 0.9 56 59 A I E -EF 65 170B 0 114,-2.5 114,-2.2 -2,-0.3 2,-0.4 -0.985 27.0-171.4-122.8 134.0 -11.4 2.3 1.7 57 60 A L E -EF 64 169B 32 7,-2.5 7,-2.7 -2,-0.4 2,-0.8 -0.984 25.6-144.7-133.6 137.5 -7.7 2.2 1.8 58 61 A N E -E 63 0B 0 110,-2.6 109,-2.9 -2,-0.4 5,-0.2 -0.881 21.1-180.0 -94.7 111.4 -5.0 -0.5 2.1 59 62 A N - 0 0 46 3,-2.1 4,-0.1 -2,-0.8 -1,-0.1 0.274 52.7-102.1 -98.0 12.0 -2.3 1.2 4.2 60 63 A G S S+ 0 0 7 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.380 117.9 58.6 86.6 -5.3 0.1 -1.7 4.2 61 64 A H S S- 0 0 48 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.579 124.8 -38.9-122.3 -32.1 -0.8 -2.7 7.8 62 65 A A S S- 0 0 5 -5,-0.1 -3,-2.1 165,-0.1 -1,-0.6 -0.873 71.3 -83.5-172.0-167.2 -4.6 -3.2 7.3 63 66 A F E -E 58 0B 0 -2,-0.3 29,-0.4 29,-0.2 2,-0.4 -0.982 34.7-152.5-124.0 136.2 -7.4 -1.6 5.4 64 67 A N E -E 57 0B 20 -7,-2.7 -7,-2.5 -2,-0.4 2,-0.7 -0.909 9.6-153.8-110.8 132.1 -9.3 1.5 6.6 65 68 A V E -EG 56 90B 0 25,-2.5 25,-1.6 -2,-0.4 2,-0.3 -0.927 30.2-152.5 -99.0 113.9 -12.9 2.4 5.7 66 69 A E E -EG 55 89B 49 -11,-3.2 -12,-3.1 -2,-0.7 -11,-1.0 -0.672 9.5-158.3 -94.8 145.8 -12.7 6.2 6.2 67 70 A F E -E 53 0B 10 21,-2.5 2,-0.9 -2,-0.3 -14,-0.2 -0.799 29.7-101.6-119.5 160.7 -15.6 8.5 7.1 68 71 A D + 0 0 38 -16,-2.6 3,-0.3 -2,-0.3 6,-0.3 -0.734 42.0 170.5 -81.8 108.5 -16.4 12.1 6.8 69 72 A D + 0 0 39 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 -0.024 45.1 106.7-110.0 29.1 -15.7 13.5 10.2 70 73 A S S S+ 0 0 82 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.530 88.3 31.5 -81.7 -6.9 -15.9 17.2 9.4 71 74 A Q S S- 0 0 120 -3,-0.3 2,-2.3 3,-0.1 3,-0.2 -0.940 99.4 -89.5-144.7 165.3 -19.3 17.2 11.2 72 75 A D S S+ 0 0 90 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.393 77.6 124.6 -76.6 64.5 -21.0 15.4 14.1 73 76 A K + 0 0 49 -2,-2.3 2,-0.6 1,-0.3 -23,-0.3 0.850 69.5 23.8 -85.8 -92.9 -22.4 12.6 12.0 74 77 A A S S+ 0 0 3 -6,-0.3 13,-2.8 -24,-0.3 2,-0.3 -0.661 84.0 167.6 -78.5 116.5 -21.4 9.1 13.4 75 78 A V E -DH 47 86B 12 -28,-2.1 -28,-2.7 -2,-0.6 2,-0.4 -0.938 32.2-146.7-134.6 156.8 -20.6 9.5 17.1 76 79 A L E +DH 46 85B 0 9,-2.9 9,-1.9 -2,-0.3 2,-0.3 -0.981 31.3 156.6-121.0 128.5 -20.0 7.5 20.2 77 80 A K E +D 45 0B 91 -32,-2.5 -32,-3.2 -2,-0.4 7,-0.1 -0.876 33.9 34.6-142.3 173.7 -21.1 8.8 23.6 78 81 A G E > S+D 44 0B 18 5,-0.4 3,-2.0 3,-0.3 -34,-0.3 -0.244 73.5 80.6 75.8-164.6 -22.0 7.5 27.0 79 82 A G T 3 S- 0 0 4 -36,-0.8 -37,-1.5 -37,-0.5 -1,-0.1 -0.455 122.1 -21.9 64.2-132.4 -20.4 4.6 28.8 80 83 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.499 114.8 114.2 -86.9 -2.9 -17.1 5.7 30.3 81 84 A L < - 0 0 13 -3,-2.0 2,-0.6 -39,-0.1 -3,-0.3 -0.447 54.7-154.5 -79.0 140.2 -16.9 8.6 27.8 82 85 A D - 0 0 114 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.952 67.7 -16.9-109.2 116.0 -17.0 12.2 28.7 83 86 A G S S- 0 0 37 -2,-0.6 -5,-0.4 39,-0.1 2,-0.4 -0.502 101.5 -34.1 92.8-159.3 -18.3 14.2 25.7 84 87 A T - 0 0 25 -2,-0.2 38,-2.5 -7,-0.1 2,-0.5 -0.902 43.0-164.5-113.7 132.9 -18.7 13.3 22.1 85 88 A Y E -HI 76 121B 3 -9,-1.9 -9,-2.9 -2,-0.4 2,-0.4 -0.969 15.3-143.8-117.4 125.7 -16.3 11.1 20.0 86 89 A R E -HI 75 120B 37 34,-2.7 34,-1.8 -2,-0.5 2,-0.3 -0.740 16.9-119.7 -94.5 130.8 -16.6 11.3 16.2 87 90 A L E + I 0 119B 2 -13,-2.8 32,-0.3 -2,-0.4 -13,-0.2 -0.492 37.5 165.4 -67.8 127.5 -16.1 8.2 14.0 88 91 A I E - 0 0 37 30,-2.9 -21,-2.5 1,-0.4 2,-0.3 0.699 59.9 -26.3-112.6 -33.0 -13.1 8.7 11.7 89 92 A Q E -GI 66 118B 33 29,-1.2 29,-2.9 -23,-0.2 -1,-0.4 -0.981 47.6-143.5-171.7 163.9 -12.4 5.1 10.4 90 93 A F E +GI 65 117B 0 -25,-1.6 -25,-2.5 -2,-0.3 2,-0.3 -0.976 22.2 162.5-138.4 153.1 -12.7 1.4 11.1 91 94 A H E - I 0 116B 24 25,-1.7 25,-3.1 -2,-0.3 2,-0.3 -0.916 23.8-125.1-154.9 177.2 -10.3 -1.5 10.3 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.2 -0.834 0.5-149.1-130.2 167.5 -9.7 -5.0 11.3 93 96 A H E + I 0 114B 2 21,-1.4 21,-2.2 -2,-0.3 2,-0.3 -0.988 31.5 167.8-132.5 133.9 -6.8 -7.2 12.6 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.8 -0.938 24.6-119.1-146.2 169.2 -7.0 -10.9 11.6 95 98 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.7 3,-0.1 -0.442 24.0-118.6-106.5 179.6 -4.9 -14.1 11.5 96 99 A S S S+ 0 0 42 142,-0.1 2,-0.3 -2,-0.1 5,-0.1 0.573 104.9 35.3 -88.1 -12.8 -3.6 -16.5 9.0 97 100 A L S > S- 0 0 112 3,-0.2 3,-1.6 15,-0.1 -2,-0.2 -0.955 88.7-112.5-139.4 155.2 -5.7 -19.2 10.8 98 101 A D T 3 S+ 0 0 73 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.771 109.1 67.5 -59.5 -28.5 -9.1 -19.2 12.5 99 102 A G T 3 S+ 0 0 60 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.426 108.2 27.5 -75.9 1.4 -7.5 -19.8 15.9 100 103 A Q < + 0 0 54 -3,-1.6 -5,-0.7 12,-0.1 -3,-0.2 -0.966 64.2 100.0-153.9 166.0 -5.8 -16.4 16.1 101 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.006 55.0 104.8 143.9 -33.9 -6.2 -12.8 14.8 102 105 A S - 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