==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE(OXO-ACID) 17-SEP-92 1CAK . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.XUE,A.LILJAS,B.-H.JONSSON,S.LINDSKOG . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11749.0 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 . 16 6.2 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 . 1 0.4 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 . 37 14.3 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 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 RESIDUES PER ALPHA HELIX . 0 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 3 A H 0 0 221 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-124.4 13.8 -0.9 9.2 2 4 A H - 0 0 118 1,-0.1 0, 0.0 15,-0.0 0, 0.0 -0.552 360.0-100.2 -86.4 145.6 10.2 0.2 9.2 3 5 A W + 0 0 30 -2,-0.3 2,-0.2 11,-0.1 7,-0.2 -0.152 57.8 133.7 -53.1 146.0 7.8 -1.7 11.6 4 6 A G - 0 0 12 5,-2.8 10,-0.1 2,-0.2 -1,-0.1 -0.701 65.6 -78.1-164.7-147.7 5.5 -4.4 10.4 5 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.123 85.5 106.8-122.5 22.0 4.6 -7.9 11.5 6 8 A G S > S- 0 0 35 4,-0.1 4,-1.8 1,-0.0 3,-0.2 -0.248 84.5 -95.0 -92.5-178.2 7.5 -9.9 10.3 7 9 A K T 4 S+ 0 0 137 1,-0.2 -1,-0.0 2,-0.2 5,-0.0 0.813 123.4 39.5 -66.9 -33.8 10.4 -11.6 12.2 8 10 A H T 4 S+ 0 0 155 1,-0.1 -1,-0.2 5,-0.0 -5,-0.0 0.608 131.1 23.6 -96.3 -12.8 12.7 -8.7 11.7 9 11 A N T 4 S+ 0 0 53 -3,-0.2 -5,-2.8 -6,-0.1 -2,-0.2 0.252 94.9 127.7-135.8 16.3 10.3 -5.7 12.2 10 12 A G S >X S- 0 0 0 -4,-1.8 3,-3.3 -7,-0.2 4,-0.6 0.087 79.0 -74.3 -70.5 175.6 7.5 -7.4 14.3 11 13 A P G >4 S+ 0 0 24 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.746 126.1 63.9 -45.1 -35.9 6.0 -6.4 17.6 12 14 A E G 34 S+ 0 0 90 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.644 105.2 44.8 -67.7 -11.1 9.0 -7.4 19.5 13 15 A H G X> S+ 0 0 49 -3,-3.3 3,-1.6 1,-0.1 4,-0.6 0.524 83.7 94.8-107.7 -9.7 11.1 -4.8 17.8 14 16 A W H XX S+ 0 0 4 -3,-0.9 4,-2.5 -4,-0.6 3,-1.1 0.844 72.0 69.5 -53.3 -36.9 8.7 -1.8 18.1 15 17 A H H 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.736 88.6 66.0 -52.0 -32.4 10.3 -0.5 21.3 16 18 A K H <4 S+ 0 0 129 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.920 117.6 22.3 -63.2 -38.6 13.4 0.5 19.3 17 19 A D H << S+ 0 0 107 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.769 134.9 37.6-100.4 -20.9 11.5 3.2 17.3 18 20 A F >< - 0 0 58 -4,-2.5 3,-2.3 1,-0.1 -1,-0.3 -0.858 64.4-175.3-132.0 83.5 8.6 3.8 19.7 19 21 A P G > S+ 0 0 100 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.739 77.8 75.9 -56.1 -22.1 9.8 3.6 23.3 20 22 A I G > S+ 0 0 51 1,-0.3 3,-2.5 179,-0.2 5,-0.2 0.623 70.2 88.6 -63.2 -13.2 6.3 4.0 24.5 21 23 A A G < S+ 0 0 7 -3,-2.3 -1,-0.3 1,-0.3 -6,-0.1 0.728 90.9 45.8 -56.4 -27.7 5.9 0.3 23.5 22 24 A K G < S+ 0 0 140 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.1 -0.027 94.5 129.5-103.5 26.2 7.1 -0.5 27.1 23 25 A G S X S- 0 0 17 -3,-2.5 3,-0.6 1,-0.1 -3,-0.0 -0.098 71.5-106.1 -74.4 176.5 4.8 2.1 28.7 24 26 A E T 3 S+ 0 0 115 1,-0.2 226,-0.2 225,-0.0 -1,-0.1 0.479 111.8 42.3 -83.4 -12.8 2.3 1.8 31.6 25 27 A R T 3 S+ 0 0 47 -5,-0.2 -1,-0.2 224,-0.1 2,-0.1 -0.087 78.9 153.6-133.7 50.3 -0.9 1.9 29.5 26 28 A Q < - 0 0 3 -3,-0.6 220,-0.2 221,-0.3 170,-0.1 -0.347 32.8-106.1 -78.2 146.9 -0.2 -0.4 26.5 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.1 -2,-0.1 -2,-0.0 -0.867 75.4 42.4-123.9 153.6 -2.8 -2.3 24.6 28 30 A P + 0 0 0 0, 0.0 218,-2.6 0, 0.0 2,-0.3 0.640 64.0 173.4 -84.6-176.8 -4.0 -4.8 23.9 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.1 2,-0.4 -0.932 37.6 -99.1-139.8 164.4 -4.5 -6.9 27.1 30 32 A D E -a 106 0A 29 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.748 34.3-135.1 -86.4 135.9 -6.1 -10.1 28.2 31 33 A I E -a 107 0A 0 75,-2.9 77,-3.0 -2,-0.4 2,-0.8 -0.864 13.2-157.8 -94.5 105.6 -9.6 -9.5 29.8 32 34 A D >> - 0 0 68 -2,-0.8 4,-1.2 75,-0.2 3,-1.1 -0.803 4.0-161.6 -81.8 112.1 -9.7 -11.6 33.0 33 35 A T T 34 S+ 0 0 47 -2,-0.8 -1,-0.1 1,-0.3 222,-0.0 0.703 85.6 55.0 -70.5 -19.9 -13.5 -11.9 33.4 34 36 A H T 34 S+ 0 0 166 1,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.519 113.7 41.2 -88.6 -8.3 -13.2 -13.0 37.0 35 37 A T T <4 S+ 0 0 100 -3,-1.1 2,-0.2 2,-0.1 -2,-0.2 0.514 85.3 106.5-112.9 -13.7 -11.2 -9.9 37.9 36 38 A A S < S- 0 0 21 -4,-1.2 2,-0.6 216,-0.1 218,-0.2 -0.543 71.9-127.0 -66.7 138.9 -13.0 -7.2 35.9 37 39 A K E -c 254 0B 117 216,-2.4 218,-2.3 -2,-0.2 2,-0.2 -0.800 10.0-131.4 -95.4 116.5 -15.0 -5.1 38.3 38 40 A Y E -c 255 0B 73 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.479 25.8-167.5 -61.1 133.3 -18.7 -4.6 37.6 39 41 A D > - 0 0 29 216,-2.8 3,-2.1 -2,-0.2 -1,-0.1 -0.859 16.4-172.1-132.7 105.3 -19.4 -0.8 37.8 40 42 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.488 82.6 73.5 -72.8 -1.0 -23.0 0.2 38.0 41 43 A S T 3 S+ 0 0 95 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.506 75.1 102.2 -85.8 -11.4 -21.9 3.9 37.7 42 44 A L < - 0 0 27 -3,-2.1 3,-0.1 213,-0.2 -3,-0.0 -0.675 69.9-137.0 -76.4 129.5 -21.1 3.2 34.0 43 45 A K - 0 0 136 37,-1.0 39,-0.1 -2,-0.4 -1,-0.1 -0.277 26.5 -93.8 -80.5 161.8 -23.8 4.5 31.6 44 46 A P - 0 0 109 0, 0.0 36,-1.8 0, 0.0 2,-0.2 -0.444 49.3-102.7 -68.7 153.7 -25.1 2.6 28.5 45 47 A L E -D 79 0B 18 34,-0.3 2,-0.5 141,-0.2 34,-0.2 -0.539 26.3-148.8 -78.7 153.6 -23.2 3.4 25.3 46 48 A S E -D 78 0B 49 32,-2.6 32,-2.2 -2,-0.2 2,-0.5 -0.995 14.2-175.6-123.8 114.9 -24.9 5.7 22.8 47 49 A V E -D 77 0B 34 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.982 1.8-176.4-113.3 107.5 -24.0 4.9 19.2 48 50 A S E +D 76 0B 31 28,-3.2 28,-2.4 -2,-0.5 3,-0.1 -0.889 25.7 142.3-110.8 97.9 -25.4 7.4 16.7 49 51 A Y > + 0 0 3 -2,-0.7 3,-1.5 26,-0.2 130,-0.2 0.140 33.3 109.0-117.2 12.9 -24.5 6.2 13.2 50 52 A D T 3 S+ 0 0 107 1,-0.3 25,-0.1 -3,-0.1 -1,-0.1 0.787 87.9 41.0 -65.3 -19.8 -27.7 7.1 11.4 51 53 A Q T 3 S+ 0 0 120 23,-1.0 -1,-0.3 -3,-0.1 24,-0.2 0.201 80.5 145.8-113.3 17.3 -25.8 9.9 9.6 52 54 A A < - 0 0 27 -3,-1.5 2,-0.4 22,-0.1 18,-0.1 -0.181 31.9-160.3 -54.4 139.3 -22.5 8.2 8.9 53 55 A T - 0 0 44 16,-0.3 16,-2.6 122,-0.1 2,-0.2 -0.902 4.8-163.7-124.0 99.3 -20.9 9.2 5.6 54 56 A S E +E 68 0B 2 -2,-0.4 121,-0.6 122,-0.2 14,-0.2 -0.610 13.6 171.5 -81.3 148.9 -18.3 6.7 4.4 55 57 A L E + 0 0 74 12,-2.9 118,-3.0 1,-0.4 2,-0.3 0.711 50.2 0.7-118.1 -53.3 -15.9 8.0 1.8 56 58 A R E -EF 67 172B 85 11,-0.9 11,-3.0 116,-0.3 2,-0.4 -0.949 43.6-140.4-148.6 160.6 -13.1 5.6 1.0 57 59 A I E -EF 66 171B 0 114,-2.2 114,-1.9 -2,-0.3 2,-0.4 -0.986 28.8-174.4-123.4 132.7 -11.4 2.3 1.6 58 60 A L E -EF 65 170B 30 7,-2.3 7,-2.9 -2,-0.4 2,-0.8 -0.979 27.8-144.2-136.7 136.1 -7.6 2.2 1.7 59 61 A N E +E 64 0B 0 110,-3.2 109,-3.1 -2,-0.4 5,-0.2 -0.845 23.0 179.5 -90.1 117.6 -5.0 -0.4 2.0 60 62 A N - 0 0 31 3,-2.2 -1,-0.1 -2,-0.8 4,-0.1 0.311 53.6 -98.3-104.8 7.7 -2.3 1.3 4.1 61 63 A G S S+ 0 0 11 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.341 117.4 50.5 95.0 -10.6 0.2 -1.5 4.3 62 64 A H S S- 0 0 49 1,-0.7 2,-0.3 -58,-0.1 166,-0.1 0.475 124.0 -21.9-134.7 -13.8 -0.9 -2.9 7.7 63 65 A A S S- 0 0 2 164,-0.1 -3,-2.2 -5,-0.1 -1,-0.7 -0.928 71.1 -92.5-169.7-172.9 -4.6 -3.1 7.4 64 66 A F E -E 59 0B 0 -2,-0.3 2,-0.5 29,-0.2 29,-0.4 -0.972 36.4-154.4-118.0 130.0 -7.5 -1.7 5.3 65 67 A N E -E 58 0B 18 -7,-2.9 -7,-2.3 -2,-0.5 2,-0.7 -0.877 11.7-153.6-107.9 138.3 -9.3 1.4 6.6 66 68 A V E -EG 57 91B 0 25,-2.8 25,-1.7 -2,-0.5 2,-0.3 -0.905 27.6-154.4-100.2 118.1 -12.8 2.5 5.8 67 69 A E E -EG 56 90B 45 -11,-3.0 -12,-2.9 -2,-0.7 -11,-0.9 -0.736 9.1-162.6-101.9 145.3 -12.8 6.3 6.3 68 70 A F E -E 54 0B 9 21,-3.0 2,-0.8 -2,-0.3 -14,-0.2 -0.795 32.2 -98.8-120.3 164.0 -15.7 8.5 7.2 69 71 A D + 0 0 36 -16,-2.6 -16,-0.3 -2,-0.3 3,-0.2 -0.794 39.4 174.1 -82.4 115.0 -16.3 12.2 6.9 70 72 A D + 0 0 43 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.293 45.0 111.7-112.9 34.3 -15.6 13.6 10.4 71 73 A S S S+ 0 0 78 56,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.542 88.8 11.6 -86.9 -6.2 -16.0 17.2 9.5 72 74 A Q S S- 0 0 110 -3,-0.2 2,-1.9 3,-0.1 3,-0.4 -0.914 100.7 -74.4-154.1 175.2 -19.2 17.3 11.6 73 75 A D S S+ 0 0 86 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.462 78.1 126.1 -83.1 74.3 -21.1 15.3 14.2 74 76 A K S S+ 0 0 52 -2,-1.9 -23,-1.0 1,-0.3 2,-0.5 0.835 75.9 23.1 -97.4 -44.8 -22.5 12.7 11.8 75 77 A A S S+ 0 0 5 -3,-0.4 13,-2.7 13,-0.2 2,-0.3 -0.954 84.8 168.8-129.0 108.2 -21.4 9.4 13.4 76 78 A V E -DH 48 87B 9 -28,-2.4 -28,-3.2 -2,-0.5 2,-0.4 -0.931 29.4-153.7-131.6 155.5 -20.8 9.7 17.1 77 79 A L E +DH 47 86B 0 9,-2.9 9,-2.1 -2,-0.3 2,-0.3 -0.961 29.7 150.0-119.8 134.1 -20.1 7.7 20.2 78 80 A K E +D 46 0B 71 -32,-2.2 -32,-2.6 -2,-0.4 7,-0.1 -0.871 37.7 43.6-150.6 177.3 -21.1 9.1 23.7 79 81 A G E > S+D 45 0B 21 5,-0.3 3,-2.0 3,-0.3 -34,-0.3 -0.328 73.1 84.2 74.6-162.6 -22.2 7.7 27.0 80 82 A G T 3 S- 0 0 4 -36,-1.8 -37,-1.0 1,-0.3 -1,-0.1 -0.389 121.3 -27.4 65.7-140.6 -20.4 4.6 28.5 81 83 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.344 116.2 114.5 -83.8 1.7 -17.3 5.7 30.4 82 84 A L < - 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