==== 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 3IBI . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.ALTERIO,G.DE SIMONE . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11889.0 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 . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 22.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 25 9.7 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 . 17 6.6 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 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 2 2 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 0 188 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 77.8 13.3 -1.0 7.4 2 4 A H - 0 0 133 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.342 360.0 -93.2 -73.7 152.1 9.7 0.0 8.2 3 5 A W + 0 0 40 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.259 60.6 137.1 -65.8 153.8 7.7 -1.5 11.0 4 6 A G - 0 0 7 5,-2.9 10,-0.1 2,-0.2 -1,-0.1 -0.715 63.3 -81.5-162.6-146.8 5.4 -4.5 10.3 5 7 A Y S S+ 0 0 36 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.062 84.1 109.1-128.1 22.1 4.4 -7.9 11.6 6 8 A G S > S- 0 0 37 1,-0.1 4,-1.5 4,-0.1 3,-0.4 -0.326 85.1 -93.0 -93.2 178.7 7.3 -9.9 10.4 7 9 A K T 4 S+ 0 0 179 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.820 123.6 35.1 -61.0 -33.4 10.2 -11.6 12.2 8 10 A H T 4 S+ 0 0 120 1,-0.1 -1,-0.2 5,-0.0 -5,-0.0 0.518 131.7 26.0-103.1 -3.3 12.5 -8.7 11.8 9 11 A N T 4 S+ 0 0 43 -3,-0.4 -5,-2.9 -6,-0.1 -2,-0.2 0.192 95.1 118.1-140.1 14.4 10.1 -5.7 12.0 10 12 A G S >X S- 0 0 3 -4,-1.5 3,-2.9 -5,-0.2 4,-0.9 0.020 84.3 -67.5 -76.7-175.1 7.3 -7.1 14.1 11 13 A P T 34 S+ 0 0 26 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.753 128.8 59.6 -42.4 -38.3 5.9 -6.2 17.6 12 14 A E T 34 S+ 0 0 144 1,-0.2 4,-0.1 2,-0.1 -5,-0.0 0.572 109.2 44.8 -73.7 -7.0 9.0 -7.3 19.4 13 15 A H T X> S+ 0 0 60 -3,-2.9 3,-1.6 2,-0.1 4,-0.5 0.611 88.5 86.4-107.3 -20.6 11.0 -4.7 17.4 14 16 A W H >X S+ 0 0 6 -4,-0.9 4,-2.5 -3,-0.3 3,-0.5 0.799 74.0 70.9 -53.0 -37.2 8.7 -1.7 17.7 15 17 A H H 34 S+ 0 0 64 -4,-0.5 -1,-0.3 1,-0.2 6,-0.1 0.786 88.4 66.1 -54.4 -29.3 10.1 -0.5 21.0 16 18 A K H <4 S+ 0 0 127 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.957 116.6 22.7 -60.5 -51.8 13.3 0.6 19.3 17 19 A D H << S+ 0 0 128 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.718 136.1 39.4 -86.1 -21.3 11.7 3.3 17.1 18 20 A F >< - 0 0 59 -4,-2.5 3,-2.2 1,-0.1 -1,-0.3 -0.736 66.3-178.2-130.9 82.0 8.7 3.7 19.4 19 21 A P G > S+ 0 0 98 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.714 76.5 74.5 -51.3 -27.0 9.9 3.5 23.1 20 22 A I G > + 0 0 56 1,-0.3 3,-2.5 179,-0.2 5,-0.2 0.570 69.8 90.0 -67.8 -5.9 6.4 3.9 24.4 21 23 A A G < S+ 0 0 5 -3,-2.2 -1,-0.3 1,-0.3 -6,-0.1 0.748 92.9 42.9 -60.6 -22.5 5.8 0.3 23.2 22 24 A K G < S+ 0 0 138 -3,-1.7 -1,-0.3 -7,-0.1 -2,-0.2 0.014 96.8 131.5-109.5 22.6 7.0 -0.6 26.7 23 25 A G S < S- 0 0 16 -3,-2.5 3,-0.4 1,-0.1 -3,-0.0 0.186 72.2 -96.6 -65.9-171.9 4.9 2.2 28.3 24 26 A E S S+ 0 0 106 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.597 113.9 30.7 -87.2 -15.0 2.5 2.1 31.2 25 27 A R S S+ 0 0 49 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.342 78.5 157.7-143.7 62.3 -0.8 1.7 29.3 26 28 A Q - 0 0 2 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.490 31.7 -99.5 -85.7 155.3 -0.2 -0.2 26.1 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.892 78.8 40.8-127.8 157.7 -2.8 -2.2 24.2 28 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.598 65.8 174.8 -81.3-177.4 -4.0 -4.7 23.5 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.931 37.2 -97.0-143.2 163.9 -4.3 -6.6 26.8 30 32 A D E -a 106 0A 32 216,-0.5 2,-0.9 -2,-0.3 77,-0.2 -0.696 34.6-136.8 -83.4 138.3 -5.8 -9.9 27.9 31 33 A I E -a 107 0A 0 75,-3.4 77,-2.0 -2,-0.4 2,-1.1 -0.848 11.3-159.3-100.5 101.7 -9.3 -9.4 29.4 32 34 A D >> - 0 0 65 -2,-0.9 4,-1.7 75,-0.2 3,-0.8 -0.719 5.4-162.7 -80.7 100.5 -9.5 -11.5 32.6 33 35 A T T 34 S+ 0 0 41 -2,-1.1 -1,-0.2 1,-0.2 222,-0.0 0.776 85.7 52.2 -57.1 -32.0 -13.3 -11.7 32.8 34 36 A H T 34 S+ 0 0 164 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.776 112.5 44.4 -78.4 -25.8 -13.2 -12.8 36.5 35 37 A T T <4 S+ 0 0 103 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.682 91.1 99.4 -89.9 -20.2 -11.0 -9.9 37.5 36 38 A A < - 0 0 17 -4,-1.7 2,-0.4 218,-0.1 218,-0.2 -0.447 68.6-142.3 -66.2 138.1 -12.9 -7.3 35.5 37 39 A K E -c 254 0B 138 216,-1.8 218,-2.7 -2,-0.1 2,-0.1 -0.891 12.6-115.7-112.4 135.1 -15.3 -5.4 37.8 38 40 A Y E -c 255 0B 121 -2,-0.4 218,-0.2 216,-0.2 151,-0.0 -0.415 30.5-150.2 -61.8 134.3 -18.8 -4.2 37.0 39 41 A D > - 0 0 30 216,-2.7 3,-1.2 1,-0.1 -1,-0.1 -0.917 16.9-172.6-116.4 108.2 -18.8 -0.4 37.1 40 42 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.714 83.1 68.6 -68.2 -21.8 -22.1 1.2 38.2 41 43 A S T 3 S+ 0 0 91 2,-0.0 2,-0.3 40,-0.0 -2,-0.0 0.590 76.1 105.3 -75.2 -9.9 -20.8 4.7 37.3 42 44 A L < - 0 0 29 -3,-1.2 3,-0.1 213,-0.2 38,-0.0 -0.565 65.7-142.1 -74.4 130.5 -20.7 3.8 33.6 43 45 A K - 0 0 144 37,-1.7 37,-0.2 -2,-0.3 39,-0.1 -0.434 39.8 -73.4 -85.7 164.5 -23.5 5.5 31.7 44 46 A P - 0 0 119 0, 0.0 36,-0.6 0, 0.0 2,-0.3 -0.354 54.0-117.9 -59.5 136.4 -25.4 3.7 28.9 45 47 A L E -D 79 0B 21 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.590 27.2-156.3 -76.9 136.7 -23.1 3.4 25.8 46 48 A S E -D 78 0B 38 32,-3.2 32,-2.0 -2,-0.3 2,-0.6 -0.956 13.5-177.4-121.3 117.8 -24.5 5.2 22.7 47 49 A V E +D 77 0B 32 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.925 6.0 178.5-114.0 104.9 -23.5 4.2 19.2 48 50 A S E +D 76 0B 38 28,-2.7 28,-1.9 -2,-0.6 3,-0.2 -0.806 20.5 146.0-111.4 91.2 -25.1 6.6 16.7 49 51 A Y > + 0 0 2 -2,-0.7 3,-1.8 26,-0.2 130,-0.2 0.274 35.0 110.5-106.7 8.9 -24.0 5.6 13.2 50 52 A D T 3 S+ 0 0 93 1,-0.3 -1,-0.1 128,-0.1 24,-0.0 0.844 85.9 38.3 -52.9 -39.9 -27.2 6.5 11.3 51 53 A Q T 3 S+ 0 0 118 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.252 84.8 140.7 -97.9 13.7 -25.7 9.5 9.5 52 54 A A < - 0 0 21 -3,-1.8 2,-0.4 1,-0.1 18,-0.1 -0.243 33.3-163.4 -58.4 139.4 -22.2 7.9 8.9 53 55 A T - 0 0 44 16,-0.3 16,-2.9 122,-0.1 2,-0.1 -0.885 1.8-158.3-133.0 104.7 -20.7 8.7 5.5 54 56 A S E -E 68 0B 0 -2,-0.4 121,-0.6 122,-0.3 14,-0.3 -0.389 8.2-174.2 -75.0 155.5 -17.8 6.6 4.2 55 57 A L E - 0 0 74 12,-2.8 118,-2.1 1,-0.4 2,-0.3 0.703 55.3 -32.1-117.8 -46.4 -15.5 8.0 1.6 56 58 A R E -EF 67 172B 79 11,-0.9 11,-2.8 116,-0.3 -1,-0.4 -0.991 47.4-113.7-170.1 168.7 -13.1 5.2 0.5 57 59 A I E -EF 66 171B 0 114,-2.6 114,-2.6 -2,-0.3 2,-0.4 -0.916 29.5-170.5-117.0 141.3 -11.1 2.1 1.4 58 60 A L E -EF 65 170B 31 7,-2.1 7,-2.9 -2,-0.4 2,-0.8 -0.994 24.1-143.4-138.8 139.3 -7.3 1.9 1.5 59 61 A N E -E 64 0B 0 110,-2.9 109,-2.8 -2,-0.4 5,-0.2 -0.877 20.7-178.9 -96.6 108.5 -4.7 -0.8 1.9 60 62 A N - 0 0 50 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.221 53.5-100.3 -95.4 15.7 -2.0 0.9 4.0 61 63 A G S S+ 0 0 8 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.459 118.5 56.3 84.1 -3.3 0.4 -2.0 4.0 62 64 A H S S- 0 0 34 1,-0.7 2,-0.3 -58,-0.1 -1,-0.1 0.564 124.2 -35.3-125.9 -36.6 -0.7 -3.1 7.5 63 65 A A S S- 0 0 6 -5,-0.1 -3,-2.0 165,-0.1 -1,-0.7 -0.857 71.9 -83.9-166.4-167.6 -4.4 -3.5 7.1 64 66 A F E -E 59 0B 0 -2,-0.3 2,-0.5 -5,-0.2 29,-0.4 -0.969 34.0-150.2-121.9 137.8 -7.2 -1.8 5.2 65 67 A N E -E 58 0B 19 -7,-2.9 -7,-2.1 -2,-0.4 2,-0.8 -0.912 9.4-158.2-111.0 128.9 -9.0 1.3 6.3 66 68 A V E -EG 57 91B 0 25,-2.5 25,-1.7 -2,-0.5 2,-0.3 -0.923 29.6-157.7 -99.3 109.4 -12.6 2.3 5.5 67 69 A E E -EG 56 90B 42 -11,-2.8 -12,-2.8 -2,-0.8 -11,-0.9 -0.659 5.7-153.8 -93.6 148.4 -12.4 6.1 6.1 68 70 A F E -E 54 0B 8 21,-2.9 2,-0.9 -14,-0.3 -14,-0.2 -0.818 27.1-104.8-120.1 158.8 -15.3 8.3 6.9 69 71 A D + 0 0 49 -16,-2.9 3,-0.3 -2,-0.3 -16,-0.3 -0.741 40.3 173.0 -81.2 108.2 -16.1 12.0 6.4 70 72 A D + 0 0 40 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 0.002 47.0 104.4-107.6 27.9 -15.6 13.4 9.9 71 73 A S S S+ 0 0 80 2,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.622 82.2 45.6 -81.6 -13.5 -15.9 17.1 9.0 72 74 A Q S S- 0 0 104 -3,-0.3 2,-2.0 2,-0.1 0, 0.0 -0.852 101.6 -89.3-127.5 163.8 -19.5 17.1 10.5 73 75 A D S S+ 0 0 118 -2,-0.3 2,-0.3 14,-0.1 3,-0.1 -0.515 79.5 124.1 -74.2 81.9 -21.2 15.9 13.6 74 76 A K + 0 0 54 -2,-2.0 14,-0.4 1,-0.3 -25,-0.1 -0.968 56.0 20.3-140.4 153.5 -22.1 12.4 12.3 75 77 A A S S+ 0 0 6 -2,-0.3 13,-2.7 -27,-0.2 2,-0.3 0.961 79.2 177.7 49.8 85.4 -21.5 8.9 13.5 76 78 A V E -DH 48 87B 15 -28,-1.9 -28,-2.7 11,-0.2 2,-0.4 -0.903 27.7-153.1-125.0 151.7 -20.7 9.5 17.1 77 79 A L E +DH 47 86B 0 9,-2.9 9,-2.4 -2,-0.3 2,-0.3 -0.964 32.8 143.8-118.5 132.4 -19.9 7.3 20.1 78 80 A K E +DH 46 85B 95 -32,-2.0 -32,-3.2 -2,-0.4 7,-0.1 -0.937 30.3 47.3-156.3 177.9 -20.7 8.6 23.6 79 81 A G E > S+D 45 0B 16 5,-0.5 3,-2.0 3,-0.3 -34,-0.3 -0.297 75.4 74.8 77.8-166.2 -21.9 7.6 27.0 80 82 A G T 3 S- 0 0 6 -36,-0.6 -37,-1.7 1,-0.3 -1,-0.2 -0.434 124.1 -19.8 62.4-130.6 -20.4 4.6 28.8 81 83 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.501 116.0 107.2 -87.4 -4.9 -16.9 5.6 30.2 82 84 A L < - 0 0 10 -3,-2.0 2,-0.6 -39,-0.1 -3,-0.3 -0.481 58.1-151.2 -81.7 143.9 -16.7 8.5 27.7 83 85 A D - 0 0 119 -2,-0.2 2,-0.1 53,-0.1 -1,-0.0 -0.964 68.6 -14.1-112.5 119.1 -17.0 12.1 28.6 84 86 A G S S- 0 0 48 -2,-0.6 -5,-0.5 39,-0.1 2,-0.4 -0.454 102.9 -40.8 88.9-162.4 -18.3 14.1 25.7 85 87 A T E -H 78 0B 47 -2,-0.1 38,-2.7 -7,-0.1 2,-0.4 -0.863 42.6-161.1-113.6 137.9 -18.7 13.1 22.1 86 88 A Y E -HI 77 122B 4 -9,-2.4 -9,-2.9 -2,-0.4 2,-0.4 -0.955 15.4-141.3-116.3 134.6 -16.2 11.0 20.0 87 89 A R E -HI 76 121B 39 34,-2.7 34,-2.0 -2,-0.4 -11,-0.2 -0.816 16.8-117.6-103.1 132.6 -16.5 11.1 16.2 88 90 A L E + I 0 120B 2 -13,-2.7 32,-0.3 -2,-0.4 -14,-0.1 -0.429 37.7 163.8 -65.5 126.2 -15.9 8.1 13.9 89 91 A I E - 0 0 35 30,-3.0 -21,-2.9 1,-0.4 2,-0.3 0.718 60.5 -26.9-113.0 -34.7 -13.0 8.6 11.5 90 92 A Q E -GI 67 119B 36 29,-1.2 29,-2.9 -23,-0.3 -1,-0.4 -0.984 47.3-143.4-170.6 165.5 -12.2 5.1 10.3 91 93 A F E +GI 66 118B 0 -25,-1.7 -25,-2.5 -2,-0.3 2,-0.3 -0.980 21.0 163.6-140.3 152.1 -12.4 1.4 11.0 92 94 A H E - I 0 117B 23 25,-1.8 25,-3.3 -2,-0.3 2,-0.3 -0.917 23.5-125.6-154.1 174.7 -10.1 -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 -0.814 0.6-149.2-127.8 168.4 -9.5 -5.1 11.2 94 96 A H E + I 0 115B 2 21,-1.6 21,-2.2 -2,-0.3 2,-0.3 -0.987 31.4 167.2-134.2 131.1 -6.7 -7.3 12.5 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.7 -0.930 24.6-120.1-144.4 169.4 -6.9 -11.0 11.5 96 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.7 3,-0.1 -0.388 24.9-116.2-106.4-177.3 -4.8 -14.2 11.5 97 99 A S S S+ 0 0 40 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.606 106.6 34.1 -88.9 -15.9 -3.5 -16.7 9.0 98 100 A L S > S- 0 0 111 3,-0.2 3,-1.7 15,-0.1 -2,-0.2 -0.950 88.7-114.3-136.1 154.1 -5.7 -19.3 10.7 99 101 A D T 3 S+ 0 0 67 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.771 109.1 71.5 -60.2 -26.4 -9.1 -19.0 12.4 100 102 A G T 3 S+ 0 0 61 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.471 107.5 23.4 -71.7 -1.0 -7.5 -19.9 15.7 101 103 A Q < + 0 0 56 -3,-1.7 -5,-0.7 12,-0.2 -3,-0.2 -0.970 66.0 100.9-155.8 165.6 -5.8 -16.5 16.0 102 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.031 54.0 106.8 144.0 -32.5 -6.1 -12.9 14.7 103 105 A S - 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