==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 27-APR-07 2POU . 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) . 12087.0 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 . 57 22.1 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 23 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.4 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 0 177 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 57.4 13.1 -1.1 7.5 2 4 A H - 0 0 121 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.191 360.0 -91.5 -61.3 153.9 9.5 0.2 8.2 3 5 A W + 0 0 38 1,-0.1 2,-0.2 2,-0.1 7,-0.2 -0.298 62.9 137.6 -66.6 154.1 7.6 -1.4 11.1 4 6 A G - 0 0 9 5,-2.7 10,-0.1 2,-0.1 58,-0.1 -0.754 63.3 -82.4-164.2-148.0 5.4 -4.3 10.3 5 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.219 82.7 112.4-124.8 13.4 4.4 -7.7 11.6 6 8 A G S > S- 0 0 38 4,-0.1 4,-1.7 1,-0.1 3,-0.3 -0.157 83.7 -93.2 -81.7 178.0 7.3 -9.8 10.3 7 9 A K T 4 S+ 0 0 191 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.825 124.2 32.6 -60.4 -34.7 10.2 -11.6 12.1 8 10 A H T 4 S+ 0 0 134 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.514 132.6 28.0-104.0 -5.2 12.5 -8.6 11.8 9 11 A N T 4 S+ 0 0 43 -3,-0.3 -5,-2.7 -6,-0.1 -2,-0.2 0.232 95.2 116.4-136.6 12.3 10.1 -5.7 12.0 10 12 A G S >X S- 0 0 2 -4,-1.7 3,-2.9 -5,-0.2 4,-1.0 0.046 84.8 -67.9 -75.7-174.9 7.3 -7.1 14.1 11 13 A P T 34 S+ 0 0 26 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.746 128.6 59.4 -44.1 -36.8 5.8 -6.2 17.5 12 14 A E T 34 S+ 0 0 143 1,-0.2 -5,-0.0 2,-0.1 -7,-0.0 0.602 109.6 45.0 -73.7 -8.6 8.9 -7.3 19.4 13 15 A H T X> S+ 0 0 57 -3,-2.9 3,-1.9 1,-0.1 4,-0.5 0.631 87.2 88.1-105.1 -21.5 11.0 -4.8 17.4 14 16 A W H 3X S+ 0 0 5 -4,-1.0 4,-2.6 1,-0.3 3,-0.5 0.768 73.4 71.1 -50.9 -34.1 8.6 -1.7 17.7 15 17 A H H 34 S+ 0 0 68 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.732 88.3 65.2 -59.5 -23.1 10.1 -0.5 21.0 16 18 A K H <4 S+ 0 0 123 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.956 116.9 23.9 -66.6 -49.4 13.3 0.6 19.2 17 19 A D H < S+ 0 0 126 -4,-0.5 -2,-0.2 -3,-0.5 -1,-0.2 0.728 136.5 38.1 -86.1 -22.4 11.6 3.3 17.1 18 20 A F >< - 0 0 54 -4,-2.6 3,-2.5 -5,-0.2 -1,-0.2 -0.722 65.1-179.0-131.4 81.3 8.7 3.7 19.5 19 21 A P G > S+ 0 0 99 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.759 77.1 74.8 -49.8 -30.6 10.0 3.4 23.1 20 22 A I G > S+ 0 0 56 1,-0.3 3,-2.8 179,-0.2 -5,-0.1 0.640 70.2 90.7 -61.7 -10.8 6.4 3.9 24.4 21 23 A A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.741 90.2 44.7 -56.9 -22.5 5.9 0.3 23.3 22 24 A K G < S+ 0 0 144 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.2 0.034 95.7 133.4-108.8 23.7 7.0 -0.7 26.8 23 25 A G S < S- 0 0 16 -3,-2.8 3,-0.5 1,-0.1 -3,-0.0 0.124 70.4-101.2 -67.6-177.1 4.8 2.0 28.4 24 26 A E S S+ 0 0 122 1,-0.2 227,-0.2 169,-0.0 -1,-0.1 0.581 113.3 34.2 -84.5 -13.8 2.4 2.0 31.3 25 27 A R S S+ 0 0 49 168,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.313 80.0 155.1-140.2 57.7 -0.9 1.8 29.3 26 28 A Q - 0 0 2 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.527 32.5 -99.1 -87.7 151.9 -0.2 -0.3 26.2 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.881 78.2 38.5-125.2 157.7 -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 0.578 65.7 176.6 -80.6-177.7 -4.0 -4.8 23.5 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.933 36.1 -99.9-142.2 162.6 -4.4 -6.7 26.8 30 32 A D E -a 106 0A 33 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.730 34.8-137.5 -84.6 135.5 -5.9 -10.0 27.9 31 33 A I E -a 107 0A 0 75,-3.4 77,-2.3 -2,-0.4 2,-1.0 -0.857 10.0-157.5 -99.0 107.3 -9.3 -9.5 29.4 32 34 A D >> - 0 0 63 -2,-0.8 4,-2.0 75,-0.2 3,-0.6 -0.768 5.2-162.0 -84.4 102.9 -9.6 -11.6 32.5 33 35 A T T 34 S+ 0 0 43 -2,-1.0 -1,-0.2 1,-0.2 222,-0.0 0.714 86.3 52.0 -60.8 -25.5 -13.4 -11.9 32.8 34 36 A H T 34 S+ 0 0 165 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.779 113.2 43.2 -83.5 -27.2 -13.3 -13.0 36.4 35 37 A T T <4 S+ 0 0 101 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.1 0.726 89.6 101.3 -88.3 -26.1 -11.1 -10.1 37.5 36 38 A A < - 0 0 17 -4,-2.0 2,-0.5 218,-0.1 218,-0.2 -0.388 69.5-140.6 -59.7 133.4 -13.0 -7.5 35.5 37 39 A K E -c 254 0B 137 216,-1.7 218,-2.3 -2,-0.1 2,-0.1 -0.861 10.8-118.5-106.6 132.3 -15.2 -5.6 37.9 38 40 A Y E -c 255 0B 80 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.438 28.3-154.0 -63.5 132.4 -18.8 -4.5 37.1 39 41 A D > - 0 0 32 216,-2.6 3,-1.5 -2,-0.1 -1,-0.1 -0.904 17.1-173.3-117.0 105.4 -19.0 -0.7 37.3 40 42 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.573 82.8 72.1 -71.3 -7.6 -22.4 0.8 38.0 41 43 A S T 3 S+ 0 0 88 2,-0.1 2,-0.5 40,-0.0 215,-0.1 0.453 74.5 106.5 -85.6 -0.8 -21.0 4.3 37.4 42 44 A L < - 0 0 31 -3,-1.5 3,-0.1 213,-0.2 38,-0.0 -0.680 65.8-142.2 -82.5 126.7 -20.9 3.5 33.7 43 45 A K - 0 0 134 37,-1.6 37,-0.3 -2,-0.5 39,-0.1 -0.440 39.7 -75.9 -82.1 159.9 -23.5 5.3 31.7 44 46 A P - 0 0 115 0, 0.0 36,-0.9 0, 0.0 2,-0.3 -0.292 52.2-114.1 -57.5 139.5 -25.3 3.5 28.8 45 47 A L E -D 79 0B 21 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.569 29.2-154.3 -75.8 137.5 -23.1 3.3 25.7 46 48 A S E +D 78 0B 35 32,-3.3 32,-2.2 -2,-0.3 2,-0.6 -0.941 15.1 179.7-121.9 114.0 -24.4 5.3 22.8 47 49 A V E +D 77 0B 35 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.941 3.1 177.6-113.1 111.2 -23.5 4.3 19.2 48 50 A S E +D 76 0B 39 28,-2.7 28,-1.8 -2,-0.6 3,-0.2 -0.822 20.0 146.1-118.3 91.9 -25.1 6.7 16.6 49 51 A Y > + 0 0 4 -2,-0.6 3,-1.9 26,-0.2 130,-0.2 0.301 35.1 110.7-106.7 6.6 -24.0 5.7 13.1 50 52 A D T 3 S+ 0 0 86 1,-0.3 -1,-0.1 128,-0.1 -2,-0.0 0.824 87.6 36.7 -51.5 -36.5 -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 0.253 83.5 141.8-103.3 13.6 -25.6 9.5 9.5 52 54 A A < - 0 0 19 -3,-1.9 2,-0.5 22,-0.1 18,-0.1 -0.264 33.7-161.1 -57.0 136.6 -22.1 7.9 9.0 53 55 A T - 0 0 52 16,-0.3 16,-3.1 122,-0.1 2,-0.1 -0.892 1.4-158.1-127.8 103.1 -20.6 8.8 5.6 54 56 A S E -E 68 0B 1 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.410 9.1-174.1 -75.8 152.9 -17.8 6.7 4.3 55 57 A L E - 0 0 80 12,-3.2 118,-1.9 1,-0.4 2,-0.3 0.730 55.0 -41.3-114.1 -45.1 -15.4 8.1 1.7 56 58 A R E -EF 67 172B 77 11,-1.1 11,-2.7 116,-0.3 -1,-0.4 -0.988 46.2-107.3-174.3 174.4 -13.1 5.2 0.7 57 59 A I E -EF 66 171B 0 114,-2.3 114,-2.2 -2,-0.3 2,-0.4 -0.941 29.7-166.7-121.5 140.2 -11.0 2.2 1.6 58 60 A L E -EF 65 170B 33 7,-2.3 7,-2.5 -2,-0.4 2,-0.8 -0.987 22.1-142.2-134.6 138.0 -7.2 2.1 1.6 59 61 A N E -E 64 0B 0 110,-2.7 109,-2.7 -2,-0.4 5,-0.2 -0.859 21.4-176.5 -93.5 108.5 -4.6 -0.7 1.8 60 62 A N - 0 0 36 3,-1.8 4,-0.1 -2,-0.8 -1,-0.1 0.325 52.7 -95.6 -91.6 9.4 -1.9 0.9 4.0 61 63 A G S S+ 0 0 15 2,-0.6 106,-0.1 166,-0.2 3,-0.1 0.301 119.4 44.0 98.1 -14.9 0.6 -1.9 3.9 62 64 A H S S- 0 0 35 1,-0.5 2,-0.2 -58,-0.1 166,-0.1 0.482 127.4 -24.0-132.5 -20.0 -0.4 -3.7 7.1 63 65 A A S S- 0 0 2 165,-0.1 -3,-1.8 164,-0.1 -2,-0.6 -0.854 72.9 -88.8-167.2-163.2 -4.2 -3.6 6.9 64 66 A F E -E 59 0B 0 29,-0.3 2,-0.5 -2,-0.2 29,-0.5 -0.995 26.5-151.1-132.9 139.1 -7.0 -1.6 5.3 65 67 A N E -E 58 0B 27 -7,-2.5 -7,-2.3 -2,-0.4 2,-0.8 -0.923 5.5-154.9-111.7 130.2 -8.8 1.4 6.5 66 68 A V E -EG 57 91B 0 25,-2.8 25,-1.5 -2,-0.5 2,-0.3 -0.912 28.4-155.3 -98.8 109.5 -12.4 2.4 5.7 67 69 A E E -EG 56 90B 45 -11,-2.7 -12,-3.2 -2,-0.8 -11,-1.1 -0.648 7.6-156.2 -93.1 146.8 -12.3 6.2 6.1 68 70 A F E -E 54 0B 7 21,-2.8 2,-0.9 -14,-0.3 -14,-0.3 -0.798 28.2-104.6-118.6 159.1 -15.2 8.4 6.9 69 71 A D + 0 0 48 -16,-3.1 -16,-0.3 -2,-0.3 3,-0.3 -0.750 40.7 171.5 -82.1 109.0 -16.0 12.1 6.4 70 72 A D + 0 0 42 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 -0.044 46.0 104.7-110.0 29.6 -15.6 13.5 9.9 71 73 A S S S+ 0 0 82 2,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.597 82.0 45.1 -84.0 -12.5 -15.9 17.2 9.0 72 74 A Q S S- 0 0 108 -3,-0.3 2,-1.8 2,-0.0 0, 0.0 -0.835 102.5 -87.1-127.4 166.4 -19.4 17.3 10.4 73 75 A D S S+ 0 0 120 -2,-0.3 2,-0.3 14,-0.1 3,-0.1 -0.545 80.3 120.9 -75.9 84.1 -21.2 16.1 13.5 74 76 A K + 0 0 58 -2,-1.8 14,-0.4 1,-0.3 -25,-0.1 -0.937 54.1 23.6-141.9 162.2 -22.1 12.6 12.3 75 77 A A S S+ 0 0 7 -2,-0.3 13,-2.8 1,-0.1 2,-0.3 0.935 78.4 178.4 42.3 85.4 -21.4 9.0 13.4 76 78 A V E -DH 48 87B 17 -28,-1.8 -28,-2.7 11,-0.2 2,-0.4 -0.898 28.2-154.6-124.0 150.5 -20.7 9.5 17.1 77 79 A L E +DH 47 86B 0 9,-3.0 9,-2.5 -2,-0.3 2,-0.3 -0.972 31.8 144.8-119.0 130.7 -19.9 7.4 20.1 78 80 A K E +DH 46 85B 94 -32,-2.2 -32,-3.3 -2,-0.4 7,-0.1 -0.908 31.7 46.2-152.7 178.8 -20.7 8.7 23.6 79 81 A G E > S+D 45 0B 16 5,-0.5 3,-2.2 3,-0.3 -34,-0.3 -0.301 73.1 78.4 76.9-164.5 -21.8 7.5 27.0 80 82 A G T 3 S- 0 0 5 -36,-0.9 -37,-1.6 -37,-0.3 -1,-0.1 -0.442 123.1 -20.3 62.8-130.1 -20.3 4.4 28.7 81 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.488 116.1 109.1 -88.2 -2.5 -17.0 5.5 30.2 82 84 A L < - 0 0 8 -3,-2.2 2,-0.5 -39,-0.1 -3,-0.3 -0.484 55.6-154.0 -83.6 144.8 -16.7 8.5 27.9 83 85 A D S S- 0 0 123 -2,-0.2 2,-0.1 53,-0.1 -1,-0.0 -0.963 70.0 -8.3-111.7 124.8 -17.1 12.1 28.8 84 86 A G S S- 0 0 53 -2,-0.5 -5,-0.5 39,-0.1 2,-0.4 -0.451 101.7 -47.8 87.5-161.9 -18.2 14.2 25.8 85 87 A T E -H 78 0B 46 -2,-0.1 38,-2.6 -7,-0.1 2,-0.4 -0.935 39.4-158.2-122.1 139.0 -18.6 13.0 22.2 86 88 A Y E -HI 77 122B 4 -9,-2.5 -9,-3.0 -2,-0.4 2,-0.4 -0.943 14.7-142.4-115.1 132.2 -16.2 11.1 20.0 87 89 A R E -HI 76 121B 38 34,-2.8 34,-2.2 -2,-0.4 -11,-0.2 -0.788 19.0-116.0-100.4 132.9 -16.5 11.2 16.2 88 90 A L E + I 0 120B 2 -13,-2.8 32,-0.3 -14,-0.4 -14,-0.1 -0.424 39.0 162.9 -65.6 129.2 -16.0 8.2 13.9 89 91 A I E - 0 0 33 30,-2.8 -21,-2.8 1,-0.4 2,-0.3 0.686 60.0 -24.6-116.7 -34.9 -13.0 8.6 11.6 90 92 A Q E -GI 67 119B 35 29,-1.2 29,-2.8 -23,-0.2 -1,-0.4 -0.986 46.7-146.6-169.0 166.5 -12.2 5.1 10.3 91 93 A F E +GI 66 118B 0 -25,-1.5 -25,-2.8 -2,-0.3 2,-0.3 -0.978 20.6 161.6-142.3 155.0 -12.4 1.4 11.0 92 94 A H E - I 0 117B 22 25,-1.7 25,-3.0 -2,-0.3 2,-0.3 -0.926 24.2-124.1-158.2 177.3 -10.1 -1.5 10.2 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.834 0.5-148.6-130.7 167.9 -9.5 -5.1 11.2 94 96 A H E + I 0 115B 2 21,-1.5 21,-2.2 -2,-0.3 2,-0.3 -0.985 31.5 169.1-132.6 133.8 -6.7 -7.3 12.5 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.8 -0.935 23.5-118.7-145.5 170.8 -6.8 -11.0 11.5 96 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.7 3,-0.1 -0.398 24.0-119.0-106.6-178.3 -4.8 -14.2 11.4 97 99 A S S S+ 0 0 43 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.556 106.1 33.8 -90.6 -12.9 -3.4 -16.7 9.0 98 100 A L S > S- 0 0 108 3,-0.3 3,-1.6 15,-0.1 -2,-0.2 -0.948 88.3-113.9-138.9 156.0 -5.7 -19.3 10.7 99 101 A D T 3 S+ 0 0 71 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.772 109.8 69.7 -62.5 -25.6 -9.1 -19.1 12.4 100 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.430 107.6 26.4 -74.8 1.4 -7.5 -19.8 15.7 101 103 A Q < + 0 0 53 -3,-1.6 -5,-0.7 12,-0.1 -3,-0.3 -0.976 65.4 99.6-155.4 163.8 -5.7 -16.4 15.9 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.038 54.9 105.0 145.6 -32.8 -6.1 -12.9 14.7 103 105 A S - 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