==== 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 12-NOV-08 3F8E . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.TEMPERINI,A.MARESCA,A.SCOZZAFAVA,C.T.SUPURAN . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.5 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 . 24 9.4 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 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 . 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 0 218 0, 0.0 7,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.1 9.8 0.1 8.7 2 5 A W + 0 0 65 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.063 360.0 136.9 -55.3 143.7 7.5 -1.5 11.3 3 6 A G - 0 0 10 5,-3.1 10,-0.1 2,-0.2 -1,-0.1 -0.636 61.8 -89.1-153.1-143.9 5.4 -4.5 10.3 4 7 A Y S S+ 0 0 34 5,-0.2 5,-0.2 -2,-0.2 237,-0.1 0.350 82.9 104.3-126.6 2.1 4.3 -7.9 11.7 5 8 A G S >> S- 0 0 30 4,-0.1 4,-1.4 1,-0.1 3,-0.6 -0.143 88.1 -88.1 -81.8 177.3 7.1 -10.2 10.4 6 9 A K T 34 S+ 0 0 184 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.825 124.6 38.8 -52.8 -36.7 10.1 -11.7 12.2 7 10 A H T 34 S+ 0 0 160 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.617 130.4 22.3 -98.9 -12.9 12.4 -8.7 11.6 8 11 A N T <4 S+ 0 0 54 -3,-0.6 -5,-3.1 -6,-0.0 -2,-0.2 0.159 94.9 119.5-138.5 15.9 10.0 -5.7 12.0 9 12 A G S >X S- 0 0 4 -4,-1.4 3,-3.3 -5,-0.2 4,-0.9 -0.024 83.0 -66.9 -84.2-176.6 7.2 -7.1 14.2 10 13 A P T 34 S+ 0 0 31 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.705 129.1 59.1 -41.3 -36.4 5.8 -6.2 17.7 11 14 A E T 34 S+ 0 0 159 1,-0.2 -5,-0.0 2,-0.1 3,-0.0 0.627 110.2 44.5 -70.1 -14.0 9.0 -7.4 19.5 12 15 A H T X4 S+ 0 0 62 -3,-3.3 3,-1.8 1,-0.1 4,-0.5 0.681 88.0 87.1-101.6 -22.8 10.9 -4.8 17.4 13 16 A W G >X S+ 0 0 6 -4,-0.9 4,-2.6 1,-0.3 3,-0.6 0.746 74.3 70.8 -55.3 -34.0 8.6 -1.7 17.7 14 17 A H G 34 S+ 0 0 63 -4,-0.4 -1,-0.3 1,-0.2 6,-0.1 0.808 87.8 65.4 -54.4 -32.1 10.0 -0.5 21.0 15 18 A K G <4 S+ 0 0 132 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.926 117.4 23.7 -61.3 -46.5 13.3 0.6 19.2 16 19 A D T <4 S+ 0 0 122 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.736 135.7 37.3 -86.8 -25.8 11.5 3.3 17.1 17 20 A F >< - 0 0 57 -4,-2.6 3,-2.5 1,-0.1 -1,-0.2 -0.769 65.7-176.9-130.8 83.3 8.6 3.8 19.5 18 21 A P G > S+ 0 0 100 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.743 77.4 75.5 -54.2 -28.6 9.8 3.5 23.1 19 22 A I G > S+ 0 0 62 1,-0.3 3,-2.6 2,-0.2 5,-0.2 0.617 70.1 88.8 -61.8 -10.8 6.2 3.9 24.4 20 23 A A G < S+ 0 0 7 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.731 92.2 44.0 -56.7 -22.5 5.8 0.3 23.3 21 24 A K G < S+ 0 0 142 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 0.048 98.5 129.4-107.2 19.3 7.0 -0.6 26.8 22 25 A G S < S- 0 0 16 -3,-2.6 3,-0.4 1,-0.1 -3,-0.0 0.155 72.0-101.0 -73.2-172.6 4.8 2.1 28.4 23 26 A E S S+ 0 0 126 1,-0.2 -1,-0.1 169,-0.0 -3,-0.1 0.610 112.2 34.7 -90.1 -16.2 2.2 2.2 31.2 24 27 A R S S+ 0 0 47 -5,-0.2 -1,-0.2 168,-0.1 2,-0.2 -0.244 79.5 154.0-137.2 53.1 -1.0 2.0 29.2 25 28 A Q - 0 0 3 -3,-0.4 220,-0.2 221,-0.3 170,-0.1 -0.469 32.5-104.0 -80.6 150.8 -0.3 -0.1 26.1 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.875 76.7 43.0-125.1 157.6 -2.9 -2.1 24.2 27 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.593 65.8 177.3 -82.5-179.4 -4.2 -4.7 23.5 28 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.929 35.2-101.0-137.5 160.9 -4.6 -6.6 26.8 29 32 A D E -a 105 0A 26 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.705 33.5-137.6 -79.0 136.8 -6.1 -9.9 28.0 30 33 A I E -a 106 0A 0 75,-3.5 77,-2.6 -2,-0.4 2,-1.1 -0.871 11.5-158.9 -98.8 101.9 -9.5 -9.4 29.6 31 34 A D >> - 0 0 65 -2,-0.9 3,-2.0 75,-0.2 4,-2.0 -0.746 2.3-161.0 -82.4 102.8 -9.6 -11.5 32.7 32 35 A T T 34 S+ 0 0 46 -2,-1.1 -1,-0.2 1,-0.3 222,-0.0 0.626 88.4 54.8 -60.2 -17.5 -13.4 -11.8 33.1 33 36 A H T 34 S+ 0 0 163 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.475 111.7 42.3 -96.7 -5.5 -13.0 -12.8 36.8 34 37 A T T <4 S+ 0 0 108 -3,-2.0 -2,-0.2 2,-0.0 2,-0.1 0.629 92.5 95.4-107.6 -27.0 -10.9 -9.7 37.6 35 38 A A < - 0 0 20 -4,-2.0 2,-0.4 218,-0.1 218,-0.2 -0.461 68.3-144.0 -65.3 136.5 -13.0 -7.2 35.7 36 39 A K E -c 253 0B 156 216,-1.6 218,-2.3 -2,-0.1 -3,-0.0 -0.902 14.5-113.5-113.0 133.2 -15.6 -5.5 37.9 37 40 A Y E -c 254 0B 126 -2,-0.4 218,-0.2 216,-0.2 151,-0.0 -0.367 31.0-150.2 -55.1 132.2 -19.2 -4.4 37.1 38 41 A D > - 0 0 16 216,-2.6 3,-1.4 1,-0.1 -1,-0.1 -0.918 15.1-172.0-116.2 103.2 -19.2 -0.6 37.3 39 42 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.707 82.5 66.3 -65.1 -20.9 -22.7 0.8 38.3 40 43 A S T 3 S+ 0 0 85 2,-0.0 2,-0.4 40,-0.0 -2,-0.0 0.488 73.7 109.1 -82.7 -5.3 -21.5 4.4 37.5 41 44 A L < - 0 0 32 -3,-1.4 3,-0.1 213,-0.2 -3,-0.0 -0.619 64.5-139.2 -76.5 126.3 -21.2 3.8 33.8 42 45 A K - 0 0 107 37,-1.2 37,-0.2 -2,-0.4 39,-0.1 -0.277 40.1 -76.0 -71.1 163.6 -23.9 5.6 31.8 43 46 A P - 0 0 116 0, 0.0 36,-1.0 0, 0.0 2,-0.3 -0.387 50.9-111.2 -64.5 149.1 -25.5 3.7 28.9 44 47 A L E -D 78 0B 22 34,-0.3 2,-0.5 -3,-0.1 34,-0.2 -0.621 28.6-159.1 -77.1 136.6 -23.4 3.5 25.7 45 48 A S E -D 77 0B 35 32,-3.0 32,-2.5 -2,-0.3 2,-0.6 -0.974 11.6-179.5-122.8 115.9 -24.7 5.5 22.8 46 49 A V E -D 76 0B 31 -2,-0.5 2,-0.9 30,-0.2 30,-0.2 -0.941 4.5-175.8-114.3 103.3 -23.5 4.5 19.3 47 50 A S E +D 75 0B 41 28,-2.9 28,-1.8 -2,-0.6 3,-0.2 -0.752 23.2 147.2-107.5 88.2 -25.1 6.8 16.7 48 51 A Y > + 0 0 2 -2,-0.9 3,-0.7 26,-0.2 130,-0.3 0.121 37.4 105.6-108.4 21.1 -24.1 5.6 13.3 49 52 A D T 3 S+ 0 0 87 1,-0.2 -1,-0.2 24,-0.2 25,-0.1 0.874 86.9 36.2 -70.2 -40.2 -27.3 6.7 11.4 50 53 A Q T 3 S+ 0 0 124 -3,-0.2 24,-0.3 23,-0.2 -1,-0.2 0.136 85.9 145.7 -99.3 18.4 -25.8 9.7 9.5 51 54 A A < - 0 0 20 -3,-0.7 2,-0.5 22,-0.2 18,-0.1 -0.251 34.2-156.7 -59.1 137.2 -22.3 8.1 9.0 52 55 A T - 0 0 41 16,-0.3 16,-2.9 122,-0.1 2,-0.2 -0.861 3.7-164.2-123.9 99.1 -20.6 9.0 5.8 53 56 A S E +E 67 0B 0 -2,-0.5 121,-0.7 122,-0.4 14,-0.3 -0.491 8.9 178.8 -71.0 147.8 -17.9 6.7 4.4 54 57 A L E - 0 0 75 12,-3.2 118,-2.1 1,-0.4 2,-0.3 0.703 53.5 -21.4-117.0 -51.9 -15.6 8.2 1.8 55 58 A R E -EF 66 171B 87 11,-0.9 11,-3.1 116,-0.3 2,-0.4 -0.983 46.1-120.4-159.8 170.5 -13.1 5.5 0.8 56 59 A I E -EF 65 170B 0 114,-2.6 114,-2.2 -2,-0.3 2,-0.4 -0.972 28.7-170.5-122.8 130.6 -11.2 2.3 1.5 57 60 A L E -EF 64 169B 33 7,-2.4 7,-2.5 -2,-0.4 2,-0.7 -0.983 24.1-146.3-129.2 127.0 -7.4 2.1 1.7 58 61 A N E -E 63 0B 0 110,-2.7 109,-2.9 -2,-0.4 5,-0.2 -0.853 21.7-177.2 -80.1 112.9 -4.8 -0.7 1.9 59 62 A N - 0 0 31 3,-2.3 4,-0.1 -2,-0.7 -1,-0.1 0.235 52.2 -97.8-101.3 13.1 -2.2 1.1 4.0 60 63 A G S S+ 0 0 12 2,-0.4 106,-0.1 166,-0.3 3,-0.1 0.385 119.0 46.9 86.7 -2.3 0.3 -1.8 3.9 61 64 A H S S- 0 0 42 1,-0.6 2,-0.2 -58,-0.1 -1,-0.1 0.491 125.9 -22.6-135.2 -30.4 -0.7 -3.2 7.3 62 65 A A S S- 0 0 2 -5,-0.1 -3,-2.3 165,-0.1 -1,-0.6 -0.843 71.6 -90.9-155.4-168.4 -4.5 -3.3 7.2 63 66 A F E -E 58 0B 0 -2,-0.2 2,-0.5 29,-0.2 29,-0.4 -0.990 30.8-153.3-118.5 135.0 -7.3 -1.6 5.3 64 67 A N E -E 57 0B 24 -7,-2.5 -7,-2.4 -2,-0.4 2,-0.7 -0.912 6.5-155.7-105.3 126.9 -9.0 1.6 6.6 65 68 A V E -EG 56 90B 0 25,-2.7 25,-2.2 -2,-0.5 2,-0.3 -0.941 28.6-152.1 -92.6 118.4 -12.6 2.5 5.8 66 69 A E E -EG 55 89B 37 -11,-3.1 -12,-3.2 -2,-0.7 -11,-0.9 -0.738 9.2-155.2-104.1 144.3 -12.5 6.3 6.2 67 70 A F E -E 53 0B 9 21,-2.8 2,-0.9 -2,-0.3 -14,-0.2 -0.809 27.7-108.2-116.6 151.0 -15.3 8.6 7.2 68 71 A D + 0 0 50 -16,-2.9 -16,-0.3 -2,-0.3 3,-0.2 -0.741 40.8 171.0 -75.3 105.4 -16.1 12.2 6.6 69 72 A D + 0 0 37 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 0.135 44.5 107.3-107.7 17.4 -15.6 13.6 10.2 70 73 A S S S+ 0 0 81 2,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.352 87.2 34.1 -75.5 3.2 -15.8 17.3 9.3 71 74 A Q S S- 0 0 121 -3,-0.2 2,-1.2 3,-0.1 3,-0.2 -0.977 99.7 -90.0-155.2 153.0 -19.2 17.3 11.0 72 75 A D S S+ 0 0 93 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.537 76.8 120.0 -69.6 94.5 -21.0 15.6 13.9 73 76 A K + 0 0 50 -2,-1.2 2,-0.7 1,-0.3 -22,-0.2 0.487 65.7 31.0-118.2 -94.9 -22.4 12.5 12.1 74 77 A A S S+ 0 0 6 -24,-0.3 13,-2.7 -3,-0.2 2,-0.4 -0.617 82.3 174.1 -73.4 111.2 -21.3 9.1 13.4 75 78 A V E -DH 47 86B 14 -28,-1.8 -28,-2.9 -2,-0.7 2,-0.5 -0.959 30.4-153.5-130.1 142.9 -20.7 9.6 17.1 76 79 A L E +DH 46 85B 0 9,-2.8 9,-1.9 -2,-0.4 2,-0.3 -0.952 32.7 146.7-104.3 127.5 -19.8 7.5 20.2 77 80 A K E +D 45 0B 81 -32,-2.5 -32,-3.0 -2,-0.5 7,-0.1 -0.888 33.2 41.9-145.6-179.6 -20.9 8.8 23.6 78 81 A G E > S+D 44 0B 19 5,-0.4 3,-2.0 3,-0.3 -34,-0.3 -0.301 75.4 76.4 74.8-163.4 -22.0 7.6 27.0 79 82 A G T 3 S- 0 0 1 -36,-1.0 -37,-1.2 1,-0.3 -1,-0.1 -0.411 123.7 -21.5 58.1-129.3 -20.4 4.6 28.8 80 83 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.510 117.8 105.0 -86.6 -3.4 -17.1 5.6 30.3 81 84 A L < - 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I 0 116B 18 25,-1.9 25,-2.9 -2,-0.3 2,-0.3 -0.932 22.9-129.9-152.6 175.4 -10.2 -1.3 10.3 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.2 -0.850 1.4-148.3-127.1 163.9 -9.6 -4.9 11.4 93 96 A H E + I 0 114B 1 21,-1.9 21,-2.5 -2,-0.3 2,-0.3 -0.986 31.3 170.8-125.3 136.2 -6.8 -7.2 12.7 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.7 -0.944 22.9-121.7-146.2 167.2 -7.0 -10.9 11.6 95 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.394 24.6-117.7-105.1 178.1 -5.1 -14.1 11.6 96 99 A S S S+ 0 0 39 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.586 105.5 26.4 -84.2 -14.1 -3.7 -16.7 9.1 97 100 A L S > S- 0 0 114 3,-0.3 3,-1.6 15,-0.1 -2,-0.2 -0.939 91.6-105.4-146.6 156.6 -6.0 -19.3 10.8 98 101 A D T 3 S+ 0 0 71 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.712 111.1 69.1 -62.8 -21.2 -9.3 -19.0 12.7 99 102 A G T 3 S+ 0 0 61 13,-0.1 2,-0.3 2,-0.1 11,-0.3 0.462 106.4 32.3 -81.2 -2.1 -7.6 -19.7 16.1 100 103 A Q < + 0 0 59 -3,-1.6 -5,-0.6 12,-0.1 -3,-0.3 -0.960 68.0 93.6-145.7 164.3 -5.8 -16.4 16.1 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 -0.020 55.7 103.4 145.5 -39.0 -6.3 -12.8 14.9 102 105 A S - 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