==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 05-JUL-06 2HKK . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.TEMPERINI,A.INNOCENTI,D.VULLO,A.SCOZZAFAVA,C.T.SUPURAN . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.7 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 . 56 21.9 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 . 23 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.3 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 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 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.6 9.7 0.4 8.6 2 5 A W + 0 0 40 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.245 360.0 141.1 -63.7 150.4 7.6 -1.3 11.2 3 6 A G - 0 0 8 5,-2.7 10,-0.1 2,-0.1 -1,-0.1 -0.694 60.4 -87.1-157.6-148.7 5.5 -4.3 10.3 4 7 A Y S S+ 0 0 36 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.257 82.3 108.7-122.7 10.4 4.4 -7.7 11.6 5 8 A G S > S- 0 0 30 4,-0.1 4,-1.4 1,-0.1 3,-0.3 -0.102 85.9 -92.9 -82.7-179.9 7.3 -9.9 10.5 6 9 A K T 4 S+ 0 0 162 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.838 125.0 37.4 -58.3 -35.1 10.1 -11.6 12.3 7 10 A H T 4 S+ 0 0 161 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.561 131.1 23.7-102.5 -9.3 12.4 -8.6 11.7 8 11 A N T 4 S+ 0 0 55 -3,-0.3 -5,-2.7 -6,-0.1 -2,-0.2 0.241 94.3 119.9-137.8 13.1 10.0 -5.7 12.1 9 12 A G S >X S- 0 0 0 -4,-1.4 3,-3.2 -5,-0.2 4,-0.8 0.051 83.6 -69.4 -80.8-176.1 7.2 -7.0 14.2 10 13 A P T 34 S+ 0 0 26 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.712 128.7 61.8 -44.3 -32.3 5.7 -6.0 17.6 11 14 A E T 34 S+ 0 0 102 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.638 108.6 42.9 -70.9 -17.3 8.9 -7.2 19.4 12 15 A H T X> S+ 0 0 51 -3,-3.2 3,-1.5 1,-0.1 4,-0.5 0.564 88.4 89.8-101.2 -15.5 10.9 -4.6 17.5 13 16 A W H >X S+ 0 0 5 -4,-0.8 4,-2.6 -3,-0.3 3,-0.5 0.785 72.6 70.2 -60.0 -32.2 8.6 -1.6 17.8 14 17 A H H 34 S+ 0 0 62 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.743 88.4 65.4 -59.7 -26.5 10.1 -0.3 21.1 15 18 A K H <4 S+ 0 0 135 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.942 117.0 24.3 -64.8 -47.4 13.3 0.8 19.3 16 19 A D H << S+ 0 0 114 -3,-0.5 -2,-0.2 -4,-0.5 -1,-0.2 0.774 137.0 35.9 -83.8 -28.2 11.6 3.4 17.2 17 20 A F >< - 0 0 44 -4,-2.6 3,-2.5 1,-0.1 -1,-0.2 -0.740 65.2-177.8-129.4 82.3 8.6 3.9 19.6 18 21 A P G > S+ 0 0 102 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.713 77.0 76.8 -53.4 -26.0 9.9 3.5 23.3 19 22 A I G > + 0 0 56 1,-0.3 3,-2.5 2,-0.2 5,-0.2 0.608 69.5 88.5 -61.8 -12.1 6.3 3.9 24.5 20 23 A A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.801 92.9 43.3 -53.3 -29.3 5.8 0.3 23.4 21 24 A K G < S+ 0 0 148 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.061 97.5 128.3-103.1 22.3 6.9 -0.6 26.9 22 25 A G S < S- 0 0 16 -3,-2.5 3,-0.4 1,-0.1 -3,-0.0 0.185 73.1 -98.0 -74.6-168.5 4.8 2.2 28.5 23 26 A E S S+ 0 0 126 1,-0.2 227,-0.1 169,-0.1 -1,-0.1 0.582 112.9 34.2 -93.0 -13.4 2.3 2.1 31.3 24 27 A R S S+ 0 0 46 -5,-0.2 -1,-0.2 168,-0.1 2,-0.2 -0.326 78.7 155.4-140.4 56.2 -1.0 1.9 29.3 25 28 A Q - 0 0 2 -3,-0.4 220,-0.2 221,-0.3 170,-0.1 -0.543 32.1-102.9 -84.7 151.3 -0.3 -0.2 26.2 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.856 77.6 42.4-124.2 158.7 -2.9 -2.1 24.2 27 30 A P + 0 0 0 0, 0.0 218,-2.9 0, 0.0 2,-0.3 0.622 66.3 175.6 -79.6 180.0 -4.1 -4.7 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.924 36.4 -99.0-138.4 161.7 -4.5 -6.6 26.9 29 32 A D E -a 105 0A 27 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.716 32.9-139.8 -78.9 133.0 -6.0 -9.8 28.1 30 33 A I E -a 106 0A 0 75,-3.3 77,-2.5 -2,-0.4 2,-1.0 -0.855 11.3-159.1 -94.8 104.1 -9.4 -9.3 29.6 31 34 A D >> - 0 0 62 -2,-0.9 3,-1.9 75,-0.2 4,-1.9 -0.769 3.2-158.9 -84.0 105.6 -9.6 -11.5 32.6 32 35 A T T 34 S+ 0 0 44 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.758 88.9 52.5 -60.3 -26.8 -13.4 -11.8 33.1 33 36 A H T 34 S+ 0 0 165 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.479 111.8 45.7 -89.1 -3.4 -13.0 -12.8 36.8 34 37 A T T <4 S+ 0 0 106 -3,-1.9 -2,-0.2 2,-0.0 -1,-0.2 0.668 91.4 92.8-108.0 -27.6 -10.9 -9.8 37.6 35 38 A A < - 0 0 20 -4,-1.9 2,-0.4 218,-0.1 218,-0.2 -0.446 69.6-142.0 -68.7 139.0 -12.9 -7.2 35.7 36 39 A K E -c 253 0B 158 216,-1.5 218,-2.8 -2,-0.1 2,-0.1 -0.879 14.6-113.2-110.3 136.3 -15.5 -5.5 38.0 37 40 A Y E -c 254 0B 126 -2,-0.4 218,-0.2 216,-0.2 151,-0.0 -0.446 31.2-151.7 -58.7 131.3 -19.0 -4.4 37.2 38 41 A D > - 0 0 22 216,-2.6 3,-1.2 -2,-0.1 -1,-0.1 -0.927 15.4-172.6-115.2 107.3 -19.1 -0.5 37.3 39 42 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.663 82.1 68.7 -70.2 -18.4 -22.5 0.9 38.3 40 43 A S T 3 S+ 0 0 70 2,-0.0 2,-0.4 40,-0.0 215,-0.1 0.431 74.6 110.1 -81.8 -1.9 -21.3 4.5 37.6 41 44 A L < - 0 0 30 -3,-1.2 3,-0.1 213,-0.1 213,-0.0 -0.657 63.9-141.3 -76.4 125.6 -21.1 3.7 33.8 42 45 A K - 0 0 128 37,-1.2 37,-0.2 -2,-0.4 39,-0.1 -0.411 38.9 -79.3 -73.4 159.3 -23.8 5.5 31.8 43 46 A P - 0 0 114 0, 0.0 36,-0.9 0, 0.0 2,-0.3 -0.363 51.4-110.2 -61.8 145.3 -25.4 3.6 28.9 44 47 A L E -D 78 0B 21 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.589 27.9-154.8 -76.8 136.9 -23.3 3.5 25.7 45 48 A S E +D 77 0B 29 32,-3.1 32,-2.4 -2,-0.3 2,-0.6 -0.944 13.5 179.9-120.3 110.5 -24.6 5.5 22.8 46 49 A V E +D 76 0B 33 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.936 4.8 179.6-109.4 106.4 -23.5 4.4 19.3 47 50 A S E +D 75 0B 37 28,-2.9 28,-2.1 -2,-0.6 3,-0.2 -0.799 22.5 143.5-114.8 89.7 -25.1 6.8 16.8 48 51 A Y > + 0 0 2 -2,-0.7 3,-1.6 26,-0.2 130,-0.2 0.247 36.0 107.7-109.4 9.4 -24.1 5.8 13.3 49 52 A D T 3 S+ 0 0 94 1,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.874 87.1 38.9 -55.4 -42.2 -27.3 6.6 11.4 50 53 A Q T 3 S+ 0 0 128 23,-0.3 -1,-0.3 -3,-0.2 24,-0.3 0.187 85.9 146.9 -97.5 17.2 -25.9 9.6 9.6 51 54 A A < - 0 0 19 -3,-1.6 2,-0.5 22,-0.2 123,-0.1 -0.237 33.0-158.4 -59.3 135.8 -22.4 8.1 9.0 52 55 A T - 0 0 45 16,-0.4 16,-3.1 122,-0.1 2,-0.1 -0.852 4.8-166.0-122.0 95.9 -20.7 9.1 5.8 53 56 A S E +E 67 0B 0 -2,-0.5 121,-0.6 122,-0.4 14,-0.3 -0.439 7.8 179.7 -73.2 151.7 -18.0 6.8 4.5 54 57 A L E - 0 0 75 12,-2.8 118,-2.1 1,-0.4 2,-0.3 0.712 52.1 -21.7-121.4 -47.6 -15.7 8.1 1.8 55 58 A R E -EF 66 171B 85 11,-0.8 11,-2.9 116,-0.3 2,-0.4 -0.989 46.9-120.6-163.3 165.3 -13.1 5.5 0.8 56 59 A I E -EF 65 170B 0 114,-2.8 114,-2.4 -2,-0.3 2,-0.4 -0.960 29.2-169.9-117.8 134.7 -11.2 2.3 1.6 57 60 A L E -EF 64 169B 34 7,-2.2 7,-2.5 -2,-0.4 2,-0.7 -0.988 23.1-146.8-131.5 129.5 -7.4 2.3 1.7 58 61 A N E -E 63 0B 0 110,-2.6 109,-2.7 -2,-0.4 5,-0.2 -0.864 20.2-179.0 -85.1 115.2 -4.8 -0.5 2.0 59 62 A N - 0 0 45 3,-2.1 4,-0.1 -2,-0.7 -1,-0.1 0.189 53.4 -98.8-103.9 14.3 -2.0 1.2 4.0 60 63 A G S S+ 0 0 6 2,-0.4 106,-0.1 166,-0.2 3,-0.1 0.391 118.5 52.3 84.7 -2.6 0.4 -1.8 4.0 61 64 A H S S- 0 0 35 1,-0.6 2,-0.2 -58,-0.1 -1,-0.1 0.527 124.1 -28.4-129.1 -34.2 -0.7 -3.0 7.5 62 65 A A S S- 0 0 7 -5,-0.1 -3,-2.1 165,-0.1 -1,-0.6 -0.871 70.9 -88.2-159.1-170.2 -4.5 -3.2 7.2 63 66 A F E -E 58 0B 0 -2,-0.2 2,-0.5 29,-0.2 29,-0.5 -0.989 33.2-153.4-117.2 135.0 -7.3 -1.6 5.3 64 67 A N E -E 57 0B 26 -7,-2.5 -7,-2.2 -2,-0.4 2,-0.7 -0.899 7.9-154.3-105.2 127.1 -9.1 1.5 6.6 65 68 A V E -EG 56 90B 0 25,-2.9 25,-1.9 -2,-0.5 2,-0.3 -0.918 28.7-153.3 -92.5 115.6 -12.6 2.5 5.8 66 69 A E E -EG 55 89B 46 -11,-2.9 -12,-2.8 -2,-0.7 -11,-0.8 -0.648 9.1-157.6 -98.3 149.6 -12.5 6.3 6.3 67 70 A F E -E 53 0B 9 21,-2.6 2,-0.7 -14,-0.3 -14,-0.2 -0.859 28.2-104.5-123.6 154.1 -15.4 8.6 7.2 68 71 A D + 0 0 37 -16,-3.1 -16,-0.4 -2,-0.3 6,-0.3 -0.730 39.5 172.1 -75.8 115.3 -16.2 12.2 6.7 69 72 A D + 0 0 42 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 0.131 41.3 113.2-113.1 17.7 -15.6 13.7 10.2 70 73 A S S S+ 0 0 83 2,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.438 87.9 14.7 -74.9 -1.0 -15.9 17.4 9.3 71 74 A Q S S- 0 0 112 -3,-0.2 2,-0.9 3,-0.1 3,-0.3 -0.965 100.9 -72.5-162.7 166.9 -19.1 17.5 11.4 72 75 A D S S+ 0 0 88 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.487 77.3 118.5 -69.6 99.3 -21.1 15.5 14.1 73 76 A K S S+ 0 0 42 -2,-0.9 2,-0.8 1,-0.3 -23,-0.3 0.503 70.0 31.4-121.5 -85.3 -22.5 12.6 12.2 74 77 A A S S+ 0 0 7 -6,-0.3 13,-3.0 -3,-0.3 2,-0.3 -0.720 82.9 171.5 -84.4 110.1 -21.3 9.1 13.4 75 78 A V E -DH 47 86B 18 -28,-2.1 -28,-2.9 -2,-0.8 2,-0.5 -0.932 31.3-154.1-130.0 146.7 -20.7 9.6 17.2 76 79 A L E +DH 46 85B 0 9,-2.8 9,-1.9 -2,-0.3 2,-0.3 -0.973 31.7 150.5-113.1 127.1 -19.8 7.5 20.2 77 80 A K E +D 45 0B 98 -32,-2.4 -32,-3.1 -2,-0.5 7,-0.1 -0.879 33.3 38.7-143.5 176.9 -20.9 8.9 23.6 78 81 A G E > S+D 44 0B 18 5,-0.4 3,-2.1 3,-0.3 -34,-0.3 -0.238 74.3 76.7 75.4-163.4 -21.9 7.6 27.1 79 82 A G T 3 S- 0 0 4 -36,-0.9 -37,-1.2 1,-0.3 -1,-0.2 -0.419 123.6 -18.8 55.7-129.4 -20.4 4.6 28.9 80 83 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.476 117.6 106.8 -81.0 -2.3 -17.0 5.7 30.3 81 84 A L < - 0 0 13 -3,-2.1 2,-0.5 -39,-0.1 -3,-0.3 -0.524 56.0-153.9 -90.1 143.3 -16.9 8.6 28.0 82 85 A D - 0 0 138 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.976 66.6 -13.3-110.0 127.3 -17.3 12.3 28.6 83 86 A G S S- 0 0 50 -2,-0.5 -5,-0.4 38,-0.1 2,-0.4 -0.481 101.6 -36.7 84.4-153.9 -18.5 14.4 25.7 84 87 A T - 0 0 37 -2,-0.2 38,-2.9 -7,-0.1 2,-0.5 -0.899 41.4-164.5-120.2 133.7 -18.6 13.4 22.1 85 88 A Y E -HI 76 121B 5 -9,-1.9 -9,-2.8 -2,-0.4 2,-0.4 -0.979 16.3-142.8-118.8 124.5 -16.3 11.2 20.0 86 89 A R E -HI 75 120B 45 34,-2.7 34,-2.2 -2,-0.5 2,-0.2 -0.739 18.1-117.9 -91.0 131.0 -16.5 11.3 16.2 87 90 A L E + I 0 119B 3 -13,-3.0 32,-0.3 -2,-0.4 -13,-0.2 -0.440 38.7 164.8 -61.5 124.5 -16.0 8.2 14.0 88 91 A I E - 0 0 36 30,-3.0 -21,-2.6 1,-0.4 2,-0.3 0.747 59.2 -22.2-110.9 -38.8 -12.9 8.7 11.7 89 92 A Q E -GI 66 118B 32 29,-1.2 29,-3.0 -23,-0.2 -1,-0.4 -0.985 47.6-145.1-161.1 161.9 -12.1 5.2 10.4 90 93 A F E +GI 65 117B 0 -25,-1.9 -25,-2.9 -2,-0.3 2,-0.3 -0.977 22.0 162.1-132.1 154.8 -12.5 1.5 11.0 91 94 A H E - 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