==== 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 3IBN . 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) . 11949.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 64.3 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 . 58 22.5 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 . 18 7.0 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 1 0 1 2 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 0 2 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 0 163 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 75.9 13.2 -0.9 7.5 2 4 A H - 0 0 124 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.466 360.0 -92.2 -81.8 154.0 9.6 0.1 8.3 3 5 A W + 0 0 43 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.306 61.1 139.8 -65.7 151.9 7.7 -1.5 11.1 4 6 A G - 0 0 6 5,-2.9 9,-0.1 2,-0.1 10,-0.1 -0.712 61.5 -85.0-159.9-148.5 5.5 -4.5 10.4 5 7 A Y S S+ 0 0 36 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.175 83.9 107.2-125.6 14.2 4.4 -7.9 11.7 6 8 A G S > S- 0 0 42 4,-0.1 4,-1.2 1,-0.1 3,-0.2 -0.169 87.1 -89.9 -84.9-177.1 7.3 -10.0 10.4 7 9 A K T 4 S+ 0 0 173 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.797 123.4 34.7 -65.5 -30.1 10.2 -11.6 12.3 8 10 A H T 4 S+ 0 0 132 1,-0.1 -1,-0.2 5,-0.0 -5,-0.0 0.564 130.9 27.2-104.7 -8.0 12.5 -8.6 11.9 9 11 A N T 4 S+ 0 0 43 -3,-0.2 -5,-2.9 -6,-0.1 -2,-0.2 0.181 94.9 119.9-134.7 11.7 10.1 -5.6 12.1 10 12 A G S >X S- 0 0 2 -4,-1.2 3,-2.6 -5,-0.2 4,-1.1 0.128 84.6 -70.3 -71.1-172.5 7.3 -7.1 14.2 11 13 A P H 3> S+ 0 0 26 0, 0.0 4,-0.5 0, 0.0 3,-0.1 0.794 129.7 60.4 -49.8 -34.9 5.9 -6.2 17.6 12 14 A E H 34 S+ 0 0 143 1,-0.2 -2,-0.1 2,-0.1 -5,-0.0 0.519 109.2 44.6 -74.8 -2.6 9.0 -7.3 19.4 13 15 A H H X> S+ 0 0 52 -3,-2.6 3,-1.8 -9,-0.1 4,-0.5 0.631 88.7 84.6-110.0 -25.0 11.0 -4.7 17.4 14 16 A W H >X S+ 0 0 5 -4,-1.1 4,-2.7 1,-0.3 3,-0.7 0.804 75.2 71.6 -50.3 -38.5 8.7 -1.7 17.6 15 17 A H H 3< S+ 0 0 63 -4,-0.5 -1,-0.3 1,-0.2 6,-0.1 0.807 89.1 64.5 -52.4 -31.3 10.0 -0.5 21.0 16 18 A K H <4 S+ 0 0 121 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.934 116.6 24.3 -60.8 -48.2 13.3 0.6 19.3 17 19 A D H << S+ 0 0 118 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.691 136.9 36.2 -89.2 -19.7 11.7 3.3 17.1 18 20 A F >< + 0 0 59 -4,-2.7 3,-2.0 -5,-0.2 -1,-0.3 -0.769 65.0 179.5-134.9 86.5 8.8 3.8 19.5 19 21 A P G > S+ 0 0 101 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 0.693 75.1 78.7 -59.4 -22.0 9.9 3.3 23.2 20 22 A I G > S+ 0 0 57 1,-0.3 3,-3.2 2,-0.2 -5,-0.1 0.713 70.2 89.8 -60.8 -17.4 6.4 4.0 24.4 21 23 A A G < S+ 0 0 5 -3,-2.0 -1,-0.3 1,-0.3 -6,-0.1 0.713 90.9 41.8 -51.9 -23.7 5.9 0.4 23.4 22 24 A K G < S+ 0 0 143 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.2 0.055 95.9 128.7-111.5 22.9 6.9 -0.6 26.9 23 25 A G S < S- 0 0 14 -3,-3.2 3,-0.5 1,-0.1 -3,-0.0 0.038 73.0 -96.9 -71.8-177.7 4.9 2.2 28.4 24 26 A E S S+ 0 0 113 1,-0.2 226,-0.2 225,-0.1 -1,-0.1 0.668 112.3 35.7 -79.8 -20.5 2.4 2.1 31.3 25 27 A R S S+ 0 0 47 168,-0.1 -1,-0.2 224,-0.1 179,-0.2 -0.395 78.6 153.8-132.1 60.7 -0.9 1.9 29.3 26 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.530 33.5 -96.9 -89.9 156.4 -0.3 -0.2 26.2 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.1 -2,-0.2 78,-0.0 -0.873 79.7 37.4-125.7 156.0 -2.8 -2.2 24.2 28 30 A P + 0 0 0 0, 0.0 218,-3.0 0, 0.0 2,-0.3 0.628 64.6 176.7 -83.6-177.1 -4.0 -4.7 23.6 29 31 A V - 0 0 1 216,-0.3 77,-1.1 -2,-0.1 2,-0.3 -0.941 37.0-100.2-140.9 159.3 -4.3 -6.6 26.9 30 32 A D E -a 106 0A 33 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.664 36.0-134.8 -80.2 140.6 -5.8 -9.9 27.9 31 33 A I E -a 107 0A 0 75,-3.7 77,-2.3 -2,-0.3 2,-1.2 -0.845 11.3-157.5-101.2 103.5 -9.2 -9.4 29.5 32 34 A D >> - 0 0 58 -2,-0.8 4,-1.6 75,-0.2 3,-1.0 -0.683 3.6-161.5 -81.1 99.8 -9.5 -11.5 32.6 33 35 A T T 34 S+ 0 0 42 -2,-1.2 -1,-0.2 1,-0.3 74,-0.0 0.695 87.4 52.5 -54.6 -23.2 -13.3 -11.7 32.8 34 36 A H T 34 S+ 0 0 164 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.767 111.2 43.1 -86.6 -27.8 -13.1 -12.7 36.5 35 37 A T T <4 S+ 0 0 111 -3,-1.0 -2,-0.2 2,-0.1 2,-0.2 0.625 91.5 99.9 -91.7 -16.8 -10.9 -9.8 37.6 36 38 A A < - 0 0 17 -4,-1.6 2,-0.4 216,-0.1 218,-0.2 -0.482 67.9-142.3 -69.5 139.3 -12.9 -7.2 35.6 37 39 A K E -c 254 0B 138 216,-1.7 218,-2.7 -2,-0.2 2,-0.1 -0.896 12.8-115.3-114.3 136.8 -15.3 -5.3 37.8 38 40 A Y E -c 255 0B 76 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.425 31.9-149.5 -61.5 131.1 -18.8 -4.2 37.1 39 41 A D > - 0 0 39 216,-2.8 3,-1.5 1,-0.1 -1,-0.1 -0.900 17.4-171.7-114.0 108.2 -18.8 -0.4 37.2 40 42 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.798 83.2 70.6 -62.6 -30.2 -22.0 1.3 38.3 41 43 A S T 3 S+ 0 0 102 2,-0.0 2,-0.4 40,-0.0 -2,-0.0 0.559 74.8 107.9 -66.3 -9.1 -20.6 4.7 37.4 42 44 A L < - 0 0 29 -3,-1.5 3,-0.1 213,-0.2 38,-0.0 -0.587 63.2-143.6 -78.1 126.9 -20.8 3.8 33.6 43 45 A K E -D 80 0B 147 37,-1.7 37,-0.6 -2,-0.4 39,-0.1 -0.507 41.1 -81.5 -81.5 154.1 -23.5 5.7 31.7 44 46 A P E - 0 0 119 0, 0.0 36,-0.7 0, 0.0 2,-0.2 -0.292 51.9-109.9 -58.1 142.8 -25.2 3.6 29.0 45 47 A L E -D 79 0B 22 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.532 28.8-156.8 -76.7 137.9 -23.1 3.5 25.7 46 48 A S E -D 78 0B 35 32,-3.1 32,-2.4 -2,-0.2 2,-0.6 -0.948 12.5-180.0-122.6 113.7 -24.5 5.4 22.7 47 49 A V E +D 77 0B 31 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.924 3.1 178.1-113.6 105.6 -23.5 4.4 19.2 48 50 A S E +D 76 0B 36 28,-2.6 28,-1.9 -2,-0.6 3,-0.2 -0.808 20.3 146.7-112.0 91.6 -25.1 6.7 16.6 49 51 A Y > + 0 0 2 -2,-0.7 3,-1.9 26,-0.2 130,-0.2 0.291 37.3 108.9-105.4 8.7 -23.9 5.6 13.2 50 52 A D T 3 S+ 0 0 91 1,-0.3 -1,-0.1 24,-0.1 25,-0.1 0.809 85.6 38.3 -56.3 -34.9 -27.1 6.4 11.3 51 53 A Q T 3 S+ 0 0 113 -3,-0.2 24,-0.3 23,-0.2 -1,-0.3 0.124 85.6 143.4-103.9 22.1 -25.7 9.5 9.5 52 54 A A < - 0 0 19 -3,-1.9 2,-0.5 22,-0.2 18,-0.1 -0.353 34.1-158.9 -65.0 137.6 -22.2 7.9 8.9 53 55 A T - 0 0 57 16,-0.3 16,-2.6 -2,-0.1 2,-0.1 -0.856 1.1-160.8-124.7 99.2 -20.6 8.8 5.6 54 56 A S E -E 68 0B 0 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.413 9.3-179.3 -73.1 151.6 -17.8 6.5 4.3 55 57 A L E - 0 0 70 12,-3.3 118,-2.9 1,-0.4 2,-0.3 0.716 54.8 -23.8-116.6 -55.0 -15.5 8.0 1.6 56 58 A R E -EF 67 172B 99 11,-0.8 11,-3.0 116,-0.3 -1,-0.4 -0.987 48.4-123.4-158.7 165.3 -13.0 5.4 0.6 57 59 A I E -EF 66 171B 0 114,-2.9 114,-2.5 -2,-0.3 2,-0.3 -0.914 28.6-169.7-115.3 143.3 -11.1 2.2 1.5 58 60 A L E -EF 65 170B 40 7,-2.1 7,-2.6 -2,-0.4 2,-0.8 -0.992 24.7-143.6-139.4 143.1 -7.4 2.0 1.6 59 61 A N E -E 64 0B 0 110,-2.7 109,-3.3 -2,-0.3 5,-0.2 -0.906 20.4-179.4-102.0 106.1 -4.7 -0.7 1.9 60 62 A N - 0 0 49 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.310 53.4-101.2 -91.3 10.2 -1.9 0.9 3.9 61 63 A G S S+ 0 0 7 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.478 118.7 56.8 85.6 1.5 0.4 -2.1 3.9 62 64 A H S S- 0 0 34 1,-0.7 2,-0.3 -58,-0.1 -1,-0.1 0.559 123.9 -36.8-128.4 -41.1 -0.6 -3.0 7.4 63 65 A A S S- 0 0 6 165,-0.1 -3,-2.0 -5,-0.1 -1,-0.7 -0.846 70.5 -84.6-164.2-167.0 -4.4 -3.4 7.1 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 29,-0.2 2,-0.5 -0.968 33.0-151.2-122.7 139.0 -7.2 -1.7 5.3 65 67 A N E -E 58 0B 22 -7,-2.6 -7,-2.1 -2,-0.4 2,-0.7 -0.911 9.1-156.7-112.4 132.2 -9.0 1.4 6.4 66 68 A V E -EG 57 91B 0 25,-2.4 25,-1.6 -2,-0.5 2,-0.3 -0.939 29.5-154.1-100.9 112.9 -12.6 2.4 5.6 67 69 A E E -EG 56 90B 54 -11,-3.0 -12,-3.3 -2,-0.7 -11,-0.8 -0.736 8.2-157.5 -97.0 143.9 -12.4 6.1 6.1 68 70 A F E -E 54 0B 7 21,-2.7 2,-0.9 -2,-0.3 -14,-0.2 -0.789 27.8-106.0-117.0 158.0 -15.3 8.4 7.0 69 71 A D + 0 0 57 -16,-2.6 3,-0.4 -2,-0.3 -16,-0.3 -0.750 38.7 172.8 -83.3 105.0 -16.1 12.1 6.5 70 72 A D + 0 0 41 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 0.027 46.2 107.2-103.1 26.2 -15.6 13.5 10.0 71 73 A S S S+ 0 0 86 2,-0.0 2,-0.3 56,-0.0 -1,-0.2 0.650 85.4 33.3 -77.0 -16.0 -15.9 17.1 9.1 72 74 A Q S S- 0 0 117 -3,-0.4 2,-1.5 3,-0.0 3,-0.2 -0.852 100.9 -90.9-131.8 168.4 -19.4 17.3 10.7 73 75 A D S S+ 0 0 84 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.616 77.5 120.5 -85.9 84.9 -21.0 15.6 13.7 74 76 A K + 0 0 72 -2,-1.5 2,-0.8 1,-0.3 -23,-0.2 0.715 64.2 34.4-107.0 -88.1 -22.4 12.5 12.0 75 77 A A S S+ 0 0 5 -24,-0.3 13,-2.5 13,-0.2 2,-0.3 -0.636 80.6 169.5 -76.2 109.8 -21.2 9.1 13.3 76 78 A V E -DH 48 87B 13 -28,-1.9 -28,-2.6 -2,-0.8 2,-0.4 -0.929 30.7-153.1-130.9 152.3 -20.6 9.5 17.0 77 79 A L E +DH 47 86B 0 9,-2.9 9,-2.0 -2,-0.3 2,-0.3 -0.972 31.0 150.5-119.8 129.4 -19.9 7.5 20.1 78 80 A K E +D 46 0B 100 -32,-2.4 -32,-3.1 -2,-0.4 7,-0.1 -0.877 32.4 38.4-147.5 179.6 -20.9 8.7 23.6 79 81 A G E > S+D 45 0B 17 5,-0.5 3,-1.7 -2,-0.3 -34,-0.3 -0.280 75.3 80.7 71.4-160.6 -21.9 7.7 27.1 80 82 A G E 3 S-D 43 0B 4 -36,-0.7 -37,-1.7 -37,-0.6 -1,-0.1 -0.410 121.5 -24.2 62.8-133.2 -20.3 4.7 28.7 81 83 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.577 117.7 107.1 -85.7 -11.1 -16.9 5.6 30.2 82 84 A L < - 0 0 12 -3,-1.7 2,-0.5 -39,-0.1 -3,-0.2 -0.314 58.6-151.2 -73.4 148.9 -16.7 8.4 27.7 83 85 A D - 0 0 111 53,-0.1 2,-0.1 -5,-0.1 -1,-0.0 -0.986 65.6 -14.1-118.8 125.0 -17.0 12.1 28.5 84 86 A G S S- 0 0 44 -2,-0.5 -5,-0.5 39,-0.1 2,-0.4 -0.402 103.9 -35.3 83.2-160.9 -18.3 14.3 25.8 85 87 A T - 0 0 41 -7,-0.1 38,-2.5 -2,-0.1 2,-0.4 -0.855 44.9-163.7-109.9 137.2 -18.6 13.3 22.1 86 88 A Y E -HI 77 122B 4 -9,-2.0 -9,-2.9 -2,-0.4 2,-0.5 -0.963 14.4-143.7-118.2 132.5 -16.3 11.1 20.0 87 89 A R E -HI 76 121B 36 34,-2.6 34,-1.8 -2,-0.4 2,-0.3 -0.827 14.3-122.1-105.7 129.7 -16.4 11.1 16.2 88 90 A L E + I 0 120B 3 -13,-2.5 32,-0.3 -2,-0.5 -13,-0.2 -0.443 36.6 162.8 -65.1 124.6 -15.8 8.1 13.9 89 91 A I E - 0 0 37 30,-2.8 -21,-2.7 1,-0.4 2,-0.3 0.681 61.9 -26.2-113.2 -29.9 -13.0 8.7 11.5 90 92 A Q E -GI 67 119B 35 29,-1.3 29,-2.9 -23,-0.2 -1,-0.4 -0.988 47.1-144.2-173.5 166.7 -12.3 5.2 10.4 91 93 A F E +GI 66 118B 0 -25,-1.6 -25,-2.4 -2,-0.3 2,-0.3 -0.972 19.9 164.8-142.0 154.6 -12.4 1.4 11.0 92 94 A H E - I 0 117B 23 25,-1.6 25,-2.7 -2,-0.3 2,-0.3 -0.908 24.1-117.3-154.6 179.5 -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,-0.2 -0.888 3.6-153.9-130.9 161.8 -9.4 -5.1 11.2 94 96 A H E + I 0 115B 2 21,-1.8 21,-2.4 -2,-0.3 2,-0.3 -0.999 32.8 159.9-129.9 126.9 -6.8 -7.3 12.7 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.6 -0.925 26.7-118.6-146.0 171.1 -6.9 -11.0 11.7 96 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.8 3,-0.1 -0.421 26.9-113.3-109.5-177.1 -4.8 -14.2 11.5 97 99 A S S S+ 0 0 44 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.610 108.4 29.8 -84.4 -15.1 -3.5 -16.7 9.0 98 100 A L S > S- 0 0 112 3,-0.2 3,-1.7 15,-0.1 -2,-0.2 -0.967 87.5-111.7-142.5 155.9 -5.8 -19.2 10.8 99 101 A D T 3 S+ 0 0 67 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.763 109.1 71.5 -58.9 -27.0 -9.2 -18.9 12.6 100 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.438 108.1 22.1 -72.1 0.1 -7.5 -19.7 15.9 101 103 A Q < + 0 0 56 -3,-1.7 -5,-0.8 12,-0.2 -3,-0.2 -0.973 66.5 99.1-157.6 168.0 -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 -0.105 55.1 107.0 141.3 -41.0 -6.1 -12.8 14.8 103 105 A S - 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