==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-DEC-09 3KWA . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.TEMPERINI . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 7.8 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 . 24 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 6.2 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 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 . 2 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 0 195 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.7 9.8 0.4 9.0 2 5 A W + 0 0 57 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.079 360.0 138.3 -62.0 145.8 7.4 -1.4 11.3 3 6 A G - 0 0 11 5,-2.9 10,-0.1 2,-0.2 -1,-0.1 -0.615 59.2 -93.7-153.0-150.1 5.4 -4.5 10.3 4 7 A Y S S+ 0 0 32 5,-0.2 5,-0.2 -2,-0.2 237,-0.1 0.263 82.1 103.4-128.1 6.7 4.3 -7.9 11.7 5 8 A G S > S- 0 0 37 4,-0.1 4,-1.3 1,-0.1 3,-0.5 -0.235 91.0 -85.6 -80.3 177.6 7.1 -10.1 10.4 6 9 A K T 4 S+ 0 0 168 1,-0.2 3,-0.1 2,-0.2 5,-0.1 0.869 125.0 38.4 -42.2 -43.9 10.1 -11.6 12.3 7 10 A H T 4 S+ 0 0 158 1,-0.2 -1,-0.2 4,-0.0 -5,-0.0 0.631 128.4 23.3 -99.4 -14.5 12.2 -8.5 11.7 8 11 A N T 4 S+ 0 0 59 -3,-0.5 -5,-2.9 -6,-0.1 -1,-0.2 0.182 96.8 122.9-134.5 12.8 9.9 -5.5 12.0 9 12 A G S >X S- 0 0 0 -4,-1.3 3,-3.0 -7,-0.2 4,-0.8 0.007 82.9 -72.6 -78.2 178.0 7.2 -7.0 14.2 10 13 A P T 34 S+ 0 0 30 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.697 127.5 61.7 -39.8 -33.9 5.6 -6.2 17.6 11 14 A E T 34 S+ 0 0 106 1,-0.2 3,-0.2 2,-0.1 -5,-0.1 0.739 108.2 42.3 -64.5 -26.8 8.8 -7.4 19.3 12 15 A H T X4 S+ 0 0 49 -3,-3.0 3,-2.0 1,-0.1 4,-0.4 0.624 85.9 91.8 -96.2 -16.8 10.8 -4.7 17.6 13 16 A W T 3X + 0 0 7 -4,-0.8 4,-2.7 1,-0.3 3,-0.3 0.692 70.0 73.2 -65.1 -25.3 8.6 -1.6 17.9 14 17 A H T 34 S+ 0 0 71 -4,-0.3 -1,-0.3 1,-0.2 7,-0.1 0.677 86.9 68.5 -57.2 -21.2 10.0 -0.3 21.2 15 18 A K T <4 S+ 0 0 126 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.973 115.2 21.6 -69.4 -53.3 13.1 0.7 19.3 16 19 A D T 4 S+ 0 0 118 -4,-0.4 -2,-0.2 -3,-0.3 -1,-0.2 0.779 135.9 38.8 -80.7 -27.5 11.4 3.5 17.3 17 20 A F >< - 0 0 52 -4,-2.7 3,-2.3 1,-0.1 -1,-0.2 -0.784 63.5-177.0-128.2 88.4 8.4 4.0 19.7 18 21 A P G > S+ 0 0 101 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.751 80.0 73.6 -54.2 -29.3 9.6 3.7 23.4 19 22 A I G > S+ 0 0 58 1,-0.3 3,-3.0 179,-0.2 5,-0.2 0.686 72.0 90.8 -60.9 -10.1 6.0 4.0 24.6 20 23 A A G < S+ 0 0 4 -3,-2.3 -1,-0.3 1,-0.3 -6,-0.1 0.676 95.3 37.0 -56.7 -22.3 5.7 0.4 23.3 21 24 A K G < S+ 0 0 141 -3,-1.8 -1,-0.3 -7,-0.1 -2,-0.2 -0.096 100.2 131.0-118.4 27.2 6.6 -0.7 26.8 22 25 A G S < S- 0 0 17 -3,-3.0 3,-0.4 1,-0.1 -3,-0.1 0.118 71.9 -93.1 -72.0-168.9 4.7 2.1 28.5 23 26 A E S S+ 0 0 120 1,-0.2 227,-0.2 169,-0.1 2,-0.1 0.688 115.1 34.0 -85.8 -24.1 2.2 2.2 31.3 24 27 A R S S+ 0 0 48 -5,-0.2 2,-0.3 168,-0.1 -1,-0.2 -0.479 80.0 157.8-134.9 63.4 -1.1 1.9 29.4 25 28 A Q - 0 0 5 -3,-0.4 220,-0.1 221,-0.4 170,-0.1 -0.652 29.6-105.7 -88.9 148.5 -0.4 -0.3 26.4 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.3 -2,-0.0 -0.859 76.2 40.3-127.3 155.1 -2.9 -2.2 24.4 27 30 A P + 0 0 0 0, 0.0 218,-3.6 0, 0.0 2,-0.3 0.617 66.9 175.4 -81.8 178.3 -4.1 -4.8 23.7 28 31 A V B -a 245 0A 1 216,-0.3 77,-1.4 -2,-0.2 2,-0.4 -0.882 37.6 -96.1-135.3 165.0 -4.4 -6.8 26.9 29 32 A D E -b 105 0B 30 216,-0.5 2,-0.9 -2,-0.3 77,-0.2 -0.714 34.3-141.0 -77.8 133.4 -5.9 -10.1 28.1 30 33 A I E -b 106 0B 0 75,-3.4 77,-1.5 -2,-0.4 2,-0.9 -0.841 12.0-160.9 -97.0 99.9 -9.3 -9.5 29.6 31 34 A D >> - 0 0 68 -2,-0.9 3,-1.7 75,-0.2 4,-1.5 -0.708 4.1-157.4 -79.3 104.7 -9.5 -11.8 32.6 32 35 A T T 34 S+ 0 0 47 -2,-0.9 -1,-0.2 1,-0.3 222,-0.1 0.833 89.4 55.4 -56.4 -35.3 -13.3 -12.1 33.1 33 36 A H T 34 S+ 0 0 168 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.673 109.6 45.5 -74.8 -16.5 -12.8 -13.0 36.8 34 37 A T T <4 S+ 0 0 105 -3,-1.7 -2,-0.2 2,-0.1 -1,-0.2 0.727 89.2 98.4 -98.4 -22.3 -10.7 -9.9 37.6 35 38 A A < - 0 0 21 -4,-1.5 2,-0.5 216,-0.1 218,-0.2 -0.468 67.1-138.3 -70.2 133.9 -12.9 -7.3 35.9 36 39 A K E -d 253 0C 144 216,-1.4 218,-2.2 -2,-0.2 2,-0.1 -0.823 13.9-122.6 -94.4 125.9 -15.2 -5.3 38.1 37 40 A Y E -d 254 0C 127 -2,-0.5 218,-0.2 216,-0.2 151,-0.0 -0.496 32.6-148.0 -57.5 130.3 -18.8 -4.5 37.1 38 41 A D > - 0 0 20 216,-2.5 3,-0.9 -2,-0.1 -1,-0.1 -0.920 19.6-173.0-116.5 107.6 -18.8 -0.6 37.4 39 42 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.646 79.9 70.3 -75.1 -13.6 -22.1 1.0 38.4 40 43 A S T 3 S+ 0 0 96 2,-0.0 2,-0.4 40,-0.0 -2,-0.0 0.216 78.5 107.6 -82.9 15.3 -20.8 4.6 37.8 41 44 A L < - 0 0 31 -3,-0.9 3,-0.1 1,-0.1 -3,-0.0 -0.801 65.1-136.1-107.0 130.5 -20.8 3.9 34.1 42 45 A K - 0 0 111 37,-1.5 39,-0.1 -2,-0.4 -1,-0.1 -0.268 37.0 -82.9 -75.8 164.0 -23.4 5.5 31.8 43 46 A P - 0 0 115 0, 0.0 36,-1.2 0, 0.0 2,-0.3 -0.372 53.6-107.9 -59.3 153.8 -25.2 3.6 29.0 44 47 A L E -E 78 0C 25 34,-0.2 2,-0.5 -3,-0.1 34,-0.2 -0.684 29.2-155.1 -87.0 142.4 -23.0 3.5 25.8 45 48 A S E +E 77 0C 51 32,-3.2 32,-2.5 -2,-0.3 2,-0.6 -0.940 16.7 174.2-124.7 110.7 -24.1 5.6 22.8 46 49 A V E -E 76 0C 34 -2,-0.5 2,-0.8 30,-0.2 30,-0.2 -0.953 5.0-179.8-113.0 109.3 -23.1 4.6 19.4 47 50 A S E +E 75 0C 28 28,-2.4 28,-1.9 -2,-0.6 3,-0.2 -0.816 20.9 148.1-116.0 88.3 -24.8 7.0 17.0 48 51 A Y > + 0 0 2 -2,-0.8 3,-0.7 26,-0.2 130,-0.4 -0.028 35.7 109.3-111.5 25.1 -23.7 5.8 13.6 49 52 A D T 3 S+ 0 0 82 1,-0.2 -1,-0.2 24,-0.1 25,-0.1 0.878 82.6 36.9 -71.2 -38.9 -26.9 6.8 11.7 50 53 A Q T 3 S+ 0 0 132 23,-1.1 -1,-0.2 -3,-0.2 24,-0.2 0.028 82.8 155.5-108.0 25.2 -25.5 9.7 9.7 51 54 A A < - 0 0 21 -3,-0.7 2,-0.6 22,-0.1 123,-0.1 -0.249 29.1-157.8 -57.2 134.3 -22.1 8.2 9.0 52 55 A T - 0 0 48 16,-0.4 16,-3.5 122,-0.1 2,-0.1 -0.862 9.1-170.0-118.9 91.8 -20.3 9.6 5.9 53 56 A S E +F 67 0C 1 -2,-0.6 121,-0.6 122,-0.3 14,-0.3 -0.484 8.0 180.0 -74.8 151.5 -17.7 7.1 4.6 54 57 A L E - 0 0 75 12,-3.5 118,-1.6 1,-0.3 119,-0.3 0.696 52.7 -18.9-118.5 -41.4 -15.4 8.4 1.9 55 58 A R E -FG 66 171C 97 11,-1.3 11,-2.8 117,-0.3 2,-0.4 -0.999 45.5-119.8-171.4 154.8 -13.0 5.7 0.9 56 59 A I E -FG 65 170C 0 114,-2.6 114,-2.1 -2,-0.3 2,-0.4 -0.941 32.1-171.2-112.1 132.0 -11.2 2.4 1.6 57 60 A L E -FG 64 169C 34 7,-2.0 7,-2.4 -2,-0.4 2,-0.8 -0.983 24.3-146.8-126.6 134.1 -7.4 2.4 1.7 58 61 A N E +F 63 0C 0 110,-2.9 109,-2.9 -2,-0.4 5,-0.2 -0.882 20.0 178.5 -92.1 102.7 -4.7 -0.4 1.9 59 62 A N - 0 0 33 3,-1.7 4,-0.1 -2,-0.8 107,-0.1 0.206 54.1-103.3 -91.2 14.3 -2.0 1.3 4.0 60 63 A G S S+ 0 0 10 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.522 115.1 55.6 76.6 4.4 0.1 -1.8 3.9 61 64 A H S S- 0 0 46 1,-0.7 2,-0.3 -58,-0.1 -1,-0.1 0.436 124.4 -24.4-128.4 -22.1 -0.7 -3.0 7.4 62 65 A A S S- 0 0 2 165,-0.1 -3,-1.7 164,-0.1 -1,-0.7 -0.906 72.2 -93.2-166.0-179.7 -4.4 -3.2 7.3 63 66 A F E -F 58 0C 0 -2,-0.3 2,-0.5 29,-0.3 29,-0.5 -0.980 34.6-150.9-112.6 137.1 -7.2 -1.6 5.3 64 67 A N E -F 57 0C 21 -7,-2.4 -7,-2.0 -2,-0.5 2,-0.7 -0.891 9.0-153.0-102.0 127.3 -8.9 1.6 6.6 65 68 A V E -FH 56 90C 0 25,-3.1 25,-1.9 -2,-0.5 2,-0.4 -0.908 27.6-152.2 -91.9 119.5 -12.5 2.7 5.9 66 69 A E E -FH 55 89C 46 -11,-2.8 -12,-3.5 -2,-0.7 -11,-1.3 -0.807 9.9-161.6-103.9 135.0 -12.4 6.5 6.3 67 70 A F E -F 53 0C 10 21,-2.7 2,-0.7 -2,-0.4 -14,-0.3 -0.702 29.6-104.2-112.4 154.8 -15.2 8.8 7.3 68 71 A D + 0 0 46 -16,-3.5 -16,-0.4 -2,-0.2 3,-0.2 -0.755 41.3 174.9 -77.1 115.2 -16.0 12.5 7.0 69 72 A D + 0 0 39 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 0.087 46.4 99.3-116.1 19.1 -15.4 13.8 10.6 70 73 A S S S+ 0 0 79 2,-0.1 2,-0.3 56,-0.0 -1,-0.1 0.351 87.6 38.5 -96.7 4.7 -15.8 17.6 10.4 71 74 A Q S S- 0 0 117 -3,-0.2 2,-1.5 3,-0.1 3,-0.4 -0.940 102.5 -91.6-137.2 164.2 -19.4 17.5 11.7 72 75 A D S S+ 0 0 86 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.633 77.8 127.5 -74.9 90.6 -20.9 15.4 14.5 73 76 A K S S+ 0 0 53 -2,-1.5 -23,-1.1 1,-0.4 2,-0.4 0.732 71.8 21.3-117.4 -48.6 -22.1 12.6 12.2 74 77 A A S S+ 0 0 7 -3,-0.4 13,-3.7 -24,-0.2 -1,-0.4 -0.976 86.5 163.6-125.4 114.1 -20.9 9.2 13.5 75 78 A V E -EI 47 86C 9 -28,-1.9 -28,-2.4 -2,-0.4 2,-0.4 -0.955 34.8-142.1-140.5 143.6 -20.1 9.7 17.2 76 79 A L E +EI 46 85C 0 9,-2.9 9,-2.0 -2,-0.3 2,-0.3 -0.935 30.8 163.6-104.2 138.0 -19.5 7.7 20.4 77 80 A K E +E 45 0C 76 -32,-2.5 -32,-3.2 -2,-0.4 7,-0.1 -0.952 33.8 21.1-143.5 161.1 -20.9 9.0 23.7 78 81 A G E > S+E 44 0C 15 5,-0.5 3,-1.7 3,-0.4 -34,-0.2 -0.069 75.3 77.4 79.5-173.3 -21.6 7.7 27.2 79 82 A G T 3 S- 0 0 3 -36,-1.2 -37,-1.5 1,-0.3 -1,-0.2 -0.585 123.6 -13.4 68.8-123.4 -20.2 4.7 29.2 80 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.508 117.4 105.6 -83.1 -0.4 -16.8 5.7 30.3 81 84 A L < - 0 0 5 -3,-1.7 2,-0.5 -39,-0.1 -3,-0.4 -0.571 56.3-152.2 -96.5 139.2 -16.6 8.8 28.0 82 85 A D - 0 0 112 -2,-0.3 2,-0.1 53,-0.1 -1,-0.0 -0.912 68.7 -20.4-101.6 127.9 -17.0 12.5 28.7 83 86 A G S S- 0 0 52 -2,-0.5 -5,-0.5 38,-0.1 2,-0.4 -0.369 101.5 -33.2 79.2-151.8 -18.3 14.4 25.8 84 87 A T - 0 0 26 -7,-0.1 38,-3.0 -2,-0.1 2,-0.4 -0.916 41.4-167.2-118.7 136.7 -18.4 13.5 22.1 85 88 A Y E -IJ 76 121C 4 -9,-2.0 -9,-2.9 -2,-0.4 2,-0.4 -0.988 18.5-140.4-120.8 127.9 -15.9 11.4 20.1 86 89 A R E -IJ 75 120C 43 34,-3.0 34,-2.2 -2,-0.4 2,-0.3 -0.720 19.1-114.3 -94.2 136.3 -16.2 11.4 16.3 87 90 A L E + J 0 119C 2 -13,-3.7 32,-0.3 -2,-0.4 -13,-0.2 -0.476 38.5 167.8 -66.5 121.2 -15.7 8.3 14.1 88 91 A I E - 0 0 34 30,-2.7 -21,-2.7 1,-0.4 2,-0.3 0.829 58.7 -27.7 -99.5 -44.5 -12.6 8.9 11.9 89 92 A Q E -HJ 66 118C 34 29,-0.9 29,-3.0 -23,-0.2 -1,-0.4 -0.966 47.6-141.1-157.0 165.7 -12.0 5.4 10.5 90 93 A F E +HJ 65 117C 0 -25,-1.9 -25,-3.1 -2,-0.3 2,-0.3 -0.976 23.8 157.8-131.7 158.3 -12.3 1.6 11.0 91 94 A H E - 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