==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 15-JUL-05 2ABE . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.TEMPERINI,A.SCOZZAFAVA,L.PUCCETTI,C.T.SUPURAN . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.0 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 21.7 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 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.6 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 0 218 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.9 9.7 0.2 8.6 2 5 A W + 0 0 56 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.203 360.0 142.8 -58.1 150.9 7.7 -1.4 11.4 3 6 A G - 0 0 10 5,-2.7 10,-0.1 2,-0.2 -1,-0.1 -0.780 60.4 -89.3-161.2-155.4 5.6 -4.4 10.4 4 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.164 83.6 107.0-122.0 15.2 4.5 -7.8 11.6 5 8 A G S > S- 0 0 38 4,-0.1 4,-1.3 1,-0.1 3,-0.3 -0.211 86.1 -95.3 -86.7-179.1 7.4 -9.9 10.3 6 9 A K T 4 S+ 0 0 148 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.834 123.3 38.6 -67.2 -32.6 10.2 -11.6 12.3 7 10 A H T 4 S+ 0 0 167 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.534 131.4 25.9 -97.1 -6.1 12.6 -8.7 11.7 8 11 A N T 4 S+ 0 0 59 -3,-0.3 -5,-2.7 -6,-0.1 -2,-0.2 0.209 93.9 128.7-137.7 13.5 10.2 -5.8 12.1 9 12 A G S >X S- 0 0 4 -4,-1.3 3,-2.9 -5,-0.2 4,-0.8 0.068 78.4 -78.8 -67.2 177.6 7.5 -7.3 14.3 10 13 A P T 34 S+ 0 0 34 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.741 127.3 61.8 -47.3 -32.8 5.8 -6.2 17.6 11 14 A E T 34 S+ 0 0 102 1,-0.2 -2,-0.1 2,-0.1 3,-0.0 0.606 106.7 46.1 -73.6 -11.2 8.8 -7.3 19.6 12 15 A H T X> S+ 0 0 33 -3,-2.9 3,-1.5 1,-0.1 4,-0.5 0.596 86.9 88.8-104.2 -16.7 11.0 -4.8 17.6 13 16 A W H >X S+ 0 0 4 -4,-0.8 4,-3.1 -3,-0.3 3,-0.8 0.785 72.8 70.6 -54.6 -34.6 8.7 -1.8 17.8 14 17 A H H 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.2 6,-0.1 0.809 88.8 64.6 -56.0 -31.4 10.2 -0.5 21.1 15 18 A K H <4 S+ 0 0 131 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.912 117.7 24.4 -60.7 -42.7 13.4 0.5 19.3 16 19 A D H << S+ 0 0 121 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.767 134.5 37.5 -92.1 -28.1 11.7 3.1 17.2 17 20 A F >< - 0 0 59 -4,-3.1 3,-2.3 1,-0.1 -1,-0.2 -0.796 64.2-175.1-128.8 88.1 8.7 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 0.751 78.5 75.0 -51.2 -31.8 9.8 3.7 23.2 19 22 A I G > S+ 0 0 60 1,-0.3 3,-2.9 2,-0.2 -5,-0.1 0.661 71.4 88.8 -59.2 -14.8 6.2 4.1 24.4 20 23 A A G < S+ 0 0 6 -3,-2.3 -1,-0.3 1,-0.3 -6,-0.1 0.735 91.9 43.4 -56.1 -23.2 5.8 0.4 23.4 21 24 A K G < S+ 0 0 140 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 0.028 94.8 130.6-109.8 23.4 6.9 -0.4 26.9 22 25 A G S < S- 0 0 14 -3,-2.9 3,-0.4 1,-0.1 -3,-0.0 0.153 70.6-103.1 -66.7-171.8 4.7 2.3 28.5 23 26 A E S S+ 0 0 123 1,-0.2 226,-0.2 225,-0.1 -1,-0.1 0.608 111.8 38.5 -92.3 -18.0 2.3 2.0 31.4 24 27 A R S S+ 0 0 47 224,-0.1 2,-0.2 168,-0.1 -1,-0.2 -0.330 79.5 152.1-131.8 56.3 -1.0 2.0 29.4 25 28 A Q - 0 0 4 -3,-0.4 220,-0.1 221,-0.3 170,-0.1 -0.568 33.4-103.1 -88.4 149.5 -0.3 -0.1 26.4 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.1 -2,-0.2 -2,-0.0 -0.853 75.4 42.6-124.0 160.1 -2.9 -2.2 24.5 27 30 A P + 0 0 0 0, 0.0 218,-3.1 0, 0.0 2,-0.3 0.580 63.8 173.9 -83.2-179.7 -4.1 -4.8 23.8 28 31 A V - 0 0 1 216,-0.3 77,-1.1 -2,-0.1 2,-0.4 -0.926 37.7 -97.7-141.9 164.4 -4.5 -6.7 27.0 29 32 A D E -a 105 0A 27 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.733 34.7-136.4 -85.6 133.1 -6.1 -10.0 28.1 30 33 A I E -a 106 0A 0 75,-3.2 77,-2.4 -2,-0.4 2,-1.0 -0.816 14.0-160.6 -93.6 103.6 -9.5 -9.4 29.7 31 34 A D >> - 0 0 63 -2,-0.9 3,-1.9 75,-0.2 4,-1.3 -0.761 1.8-161.0 -86.3 105.1 -9.7 -11.6 32.8 32 35 A T T 34 S+ 0 0 46 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.727 87.4 55.6 -59.2 -26.0 -13.5 -11.8 33.4 33 36 A H T 34 S+ 0 0 168 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.465 113.2 41.5 -87.9 -1.0 -13.0 -12.8 37.1 34 37 A T T <4 S+ 0 0 103 -3,-1.9 -2,-0.2 2,-0.0 218,-0.2 0.515 89.7 100.2-117.7 -15.4 -10.9 -9.7 37.8 35 38 A A < - 0 0 19 -4,-1.3 2,-0.5 216,-0.1 218,-0.2 -0.486 69.7-135.7 -70.5 144.8 -13.0 -7.2 35.8 36 39 A K E -c 253 0B 124 216,-2.2 218,-2.5 -2,-0.1 2,-0.1 -0.905 7.9-123.9-112.4 130.7 -15.2 -5.2 38.2 37 40 A Y E -c 254 0B 90 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.435 24.2-158.0 -65.8 139.2 -18.9 -4.3 37.5 38 41 A D > - 0 0 28 216,-2.3 3,-2.2 1,-0.1 -1,-0.1 -0.863 12.8-168.7-127.8 99.5 -19.4 -0.6 37.7 39 42 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.680 86.8 63.9 -55.8 -22.4 -23.0 0.5 38.4 40 43 A S T 3 S+ 0 0 87 2,-0.1 2,-0.3 40,-0.0 215,-0.1 0.554 75.7 108.4 -83.1 -7.7 -22.1 4.1 37.5 41 44 A L < - 0 0 30 -3,-2.2 3,-0.1 213,-0.2 38,-0.0 -0.562 65.3-138.6 -73.1 128.0 -21.3 3.2 33.9 42 45 A K - 0 0 123 37,-1.0 39,-0.1 -2,-0.3 3,-0.1 -0.436 28.4 -89.2 -83.6 158.7 -23.9 4.6 31.5 43 46 A P - 0 0 114 0, 0.0 36,-1.5 0, 0.0 2,-0.2 -0.344 50.6-101.0 -65.1 150.7 -25.3 2.7 28.5 44 47 A L E -D 78 0B 20 141,-0.3 2,-0.6 34,-0.2 34,-0.2 -0.495 30.9-152.1 -72.9 142.1 -23.3 3.2 25.3 45 48 A S E -D 77 0B 44 32,-2.7 32,-2.5 -2,-0.2 2,-0.6 -0.958 14.8-179.5-120.1 111.0 -24.9 5.6 22.8 46 49 A V E -D 76 0B 35 -2,-0.6 2,-0.7 30,-0.2 30,-0.2 -0.944 5.2-178.4-114.7 112.5 -24.1 4.9 19.2 47 50 A S E +D 75 0B 37 28,-2.7 28,-1.8 -2,-0.6 3,-0.2 -0.806 24.5 144.0-112.1 88.5 -25.6 7.3 16.7 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.5 26,-0.2 130,-0.2 0.212 35.6 108.4-107.8 12.8 -24.5 6.0 13.2 49 52 A D T 3 S+ 0 0 94 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.826 85.5 39.0 -60.4 -34.2 -27.7 6.9 11.3 50 53 A Q T 3 S+ 0 0 131 23,-0.9 -1,-0.3 -3,-0.2 24,-0.1 0.015 84.1 148.5-106.2 28.2 -26.1 9.8 9.4 51 54 A A < - 0 0 24 -3,-1.5 2,-0.4 22,-0.1 123,-0.1 -0.298 31.5-159.3 -63.8 143.9 -22.7 8.2 8.8 52 55 A T - 0 0 46 16,-0.3 16,-2.5 122,-0.1 2,-0.2 -0.859 3.8-164.5-129.8 96.9 -20.9 9.1 5.6 53 56 A S E +E 67 0B 1 -2,-0.4 121,-0.6 122,-0.3 14,-0.3 -0.509 10.4 176.1 -76.3 149.1 -18.3 6.7 4.4 54 57 A L E - 0 0 81 12,-3.3 118,-1.9 1,-0.4 2,-0.3 0.713 50.6 -7.2-122.1 -45.1 -15.9 8.1 1.8 55 58 A R E -EF 66 171B 85 11,-1.1 11,-2.5 116,-0.3 2,-0.4 -0.963 45.5-134.7-154.4 166.2 -13.1 5.6 0.9 56 59 A I E -EF 65 170B 0 114,-2.2 114,-2.1 -2,-0.3 2,-0.4 -0.988 30.0-175.6-126.0 135.2 -11.4 2.3 1.6 57 60 A L E -EF 64 169B 33 7,-2.5 7,-2.4 -2,-0.4 2,-0.8 -0.995 28.8-143.0-141.5 140.4 -7.6 2.1 1.7 58 61 A N E -E 63 0B 0 110,-2.5 109,-3.0 -2,-0.4 5,-0.2 -0.879 20.6-178.1 -97.6 108.0 -4.8 -0.5 2.1 59 62 A N - 0 0 37 3,-1.9 4,-0.1 -2,-0.8 -1,-0.1 0.210 54.0 -97.6 -93.5 15.0 -2.2 1.3 4.2 60 63 A G S S+ 0 0 9 2,-0.4 106,-0.1 166,-0.2 3,-0.1 0.318 118.7 49.9 89.9 -11.1 0.3 -1.5 4.1 61 64 A H S S- 0 0 15 1,-0.6 2,-0.3 -58,-0.1 166,-0.1 0.433 125.1 -26.2-134.5 -8.4 -0.7 -3.0 7.5 62 65 A A S S- 0 0 0 164,-0.1 -3,-1.9 165,-0.1 -1,-0.6 -0.939 71.3 -89.4 178.2-175.6 -4.5 -3.2 7.3 63 66 A F E -E 58 0B 0 -2,-0.3 29,-0.5 29,-0.3 2,-0.4 -0.980 32.3-156.2-123.4 134.7 -7.3 -1.6 5.4 64 67 A N E -E 57 0B 7 -7,-2.4 -7,-2.5 -2,-0.4 2,-0.6 -0.876 10.1-152.8-109.7 140.8 -9.2 1.5 6.7 65 68 A V E -EG 56 90B 0 25,-2.1 25,-1.5 -2,-0.4 2,-0.3 -0.969 28.1-151.4-108.3 114.6 -12.8 2.6 5.8 66 69 A E E -EG 55 89B 50 -11,-2.5 -12,-3.3 -2,-0.6 -11,-1.1 -0.717 9.9-160.4 -96.9 141.8 -12.7 6.3 6.2 67 70 A F E -E 53 0B 9 21,-2.5 2,-0.6 -2,-0.3 -14,-0.2 -0.782 30.3-100.6-116.3 159.1 -15.6 8.6 7.2 68 71 A D + 0 0 34 -16,-2.5 -16,-0.3 -2,-0.3 5,-0.3 -0.694 40.3 173.2 -78.5 118.2 -16.4 12.3 6.9 69 72 A D + 0 0 45 -2,-0.6 -1,-0.1 1,-0.1 17,-0.1 0.004 45.5 107.3-117.5 28.0 -15.7 13.7 10.3 70 73 A S S S+ 0 0 77 56,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.472 91.2 21.9 -82.7 -2.4 -16.1 17.4 9.6 71 74 A Q S S- 0 0 116 -3,-0.2 2,-2.0 3,-0.1 3,-0.4 -0.933 99.6 -86.6-152.5 169.3 -19.4 17.3 11.5 72 75 A D S S+ 0 0 88 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.433 73.9 132.1 -83.0 65.3 -21.1 15.1 14.1 73 76 A K S S+ 0 0 57 -2,-2.0 -23,-0.9 1,-0.3 2,-0.5 0.873 76.5 22.6 -82.2 -42.3 -22.5 12.7 11.6 74 77 A A S S+ 0 0 8 -3,-0.4 13,-2.5 -6,-0.2 2,-0.3 -0.948 84.7 170.5-129.2 108.6 -21.5 9.5 13.3 75 78 A V E -DH 47 86B 10 -28,-1.8 -28,-2.7 -2,-0.5 2,-0.4 -0.883 26.5-153.1-127.0 155.7 -20.9 9.8 17.0 76 79 A L E +DH 46 85B 0 9,-2.6 9,-2.0 -2,-0.3 2,-0.3 -0.983 29.7 150.4-123.2 131.2 -20.3 7.7 20.1 77 80 A K E +D 45 0B 70 -32,-2.5 -32,-2.7 -2,-0.4 7,-0.1 -0.873 34.1 44.1-147.8-179.8 -21.3 9.0 23.6 78 81 A G E > S+D 44 0B 18 5,-0.3 3,-2.0 -2,-0.3 -34,-0.2 -0.396 72.9 82.6 76.9-156.4 -22.3 7.7 27.0 79 82 A G T 3 S- 0 0 2 -36,-1.5 -37,-1.0 1,-0.3 -1,-0.1 -0.292 119.7 -28.0 56.9-140.1 -20.6 4.7 28.6 80 83 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.391 114.8 111.7 -87.1 4.0 -17.4 5.7 30.4 81 84 A L < - 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