==== 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 1CAL . 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) . 11773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 62.8 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 . 57 22.1 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 . 34 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 5.8 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 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 2 2 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 0 230 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-143.4 13.7 -0.5 9.0 2 4 A H - 0 0 112 1,-0.1 0, 0.0 15,-0.0 0, 0.0 -0.469 360.0-100.1 -82.9 145.1 9.9 0.4 9.3 3 5 A W + 0 0 32 -2,-0.2 2,-0.3 11,-0.1 7,-0.2 -0.160 54.5 134.1 -55.0 151.7 7.6 -1.6 11.6 4 6 A G - 0 0 11 5,-2.1 10,-0.1 2,-0.2 58,-0.1 -0.799 64.9 -78.3-172.2-151.9 5.3 -4.3 10.5 5 7 A Y S S+ 0 0 34 -2,-0.3 5,-0.2 5,-0.2 237,-0.1 0.222 84.2 108.5-118.2 11.4 4.4 -7.8 11.7 6 8 A G S > S- 0 0 38 4,-0.1 4,-1.3 1,-0.1 -2,-0.2 -0.081 84.6 -93.5 -83.0-179.2 7.3 -9.9 10.4 7 9 A K T 4 S+ 0 0 155 1,-0.2 5,-0.1 2,-0.2 -1,-0.1 0.864 123.3 39.8 -63.3 -40.1 10.2 -11.6 12.3 8 10 A H T 4 S+ 0 0 168 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.653 130.3 23.8 -90.7 -16.0 12.5 -8.6 11.7 9 11 A N T 4 S+ 0 0 56 -6,-0.0 -5,-2.1 -3,-0.0 -2,-0.2 0.219 94.1 130.4-133.1 9.7 10.1 -5.7 12.2 10 12 A G S >X S- 0 0 0 -4,-1.3 3,-2.5 -7,-0.2 4,-0.7 0.097 78.3 -78.4 -63.2 175.6 7.5 -7.2 14.4 11 13 A P T 34 S+ 0 0 27 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.677 125.6 63.0 -52.1 -26.1 5.9 -6.1 17.6 12 14 A E T 34 S+ 0 0 104 1,-0.2 3,-0.1 2,-0.1 4,-0.1 0.579 106.3 46.3 -75.1 -14.3 9.0 -7.2 19.7 13 15 A H T X4 S+ 0 0 49 -3,-2.5 3,-1.2 1,-0.1 4,-0.5 0.552 86.7 90.7-100.2 -19.7 11.1 -4.8 17.8 14 16 A W G >X S+ 0 0 5 -4,-0.7 4,-2.2 -3,-0.5 3,-1.3 0.807 73.9 66.4 -52.8 -36.5 8.7 -1.8 18.1 15 17 A H G 34 S+ 0 0 61 -4,-0.4 -1,-0.2 1,-0.3 7,-0.1 0.794 88.8 70.2 -56.5 -31.9 10.1 -0.4 21.4 16 18 A K G <4 S+ 0 0 132 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.881 116.8 19.6 -58.2 -34.8 13.4 0.4 19.5 17 19 A D T <4 S+ 0 0 112 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.701 135.4 41.6-106.8 -20.0 11.7 3.3 17.5 18 20 A F >< - 0 0 59 -4,-2.2 3,-3.1 1,-0.1 -1,-0.2 -0.757 63.8-177.1-132.4 77.1 8.7 3.8 19.9 19 21 A P G > S+ 0 0 100 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.750 79.3 74.1 -48.0 -28.0 9.9 3.6 23.5 20 22 A I G > S+ 0 0 55 1,-0.3 3,-2.6 179,-0.2 -5,-0.1 0.654 71.6 88.0 -63.1 -13.8 6.3 4.1 24.6 21 23 A A G < S+ 0 0 8 -3,-3.1 -1,-0.3 1,-0.3 -6,-0.1 0.774 91.0 46.3 -51.4 -32.9 5.9 0.4 23.5 22 24 A K G < S+ 0 0 136 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.015 94.9 129.0 -99.5 22.2 7.1 -0.5 27.0 23 25 A G S < S- 0 0 15 -3,-2.6 3,-0.4 1,-0.1 -3,-0.0 0.137 70.4-104.7 -71.9-171.6 4.7 2.1 28.7 24 26 A E S S+ 0 0 107 1,-0.2 226,-0.2 225,-0.1 -1,-0.1 0.647 112.5 41.2 -91.1 -18.7 2.1 1.9 31.6 25 27 A R S S+ 0 0 49 224,-0.1 -1,-0.2 168,-0.1 2,-0.1 -0.261 80.2 155.6-130.5 52.4 -1.1 2.0 29.5 26 28 A Q - 0 0 2 -3,-0.4 220,-0.2 221,-0.3 170,-0.1 -0.372 32.9-104.4 -77.2 143.7 -0.2 -0.3 26.6 27 29 A S S S+ 0 0 0 168,-0.4 2,-0.1 -2,-0.1 -2,-0.0 -0.919 76.9 36.6-124.3 154.3 -2.8 -2.1 24.5 28 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.626 65.6 176.3 -78.9-176.1 -4.1 -4.7 23.8 29 31 A V - 0 0 1 216,-0.3 77,-1.1 -2,-0.1 2,-0.4 -0.950 36.6 -99.6-141.0 162.8 -4.5 -6.7 27.1 30 32 A D E -a 106 0A 35 216,-0.5 2,-0.6 -2,-0.3 77,-0.2 -0.725 36.3-135.3 -82.6 134.5 -6.0 -10.0 28.1 31 33 A I E -a 107 0A 0 75,-3.6 77,-3.5 -2,-0.4 2,-0.8 -0.876 13.0-158.7 -96.4 117.6 -9.5 -9.5 29.7 32 34 A D > - 0 0 64 -2,-0.6 4,-1.5 75,-0.2 3,-0.3 -0.845 1.1-162.4 -97.1 107.3 -9.8 -11.6 32.9 33 35 A T T 4 S+ 0 0 49 -2,-0.8 -1,-0.1 1,-0.2 74,-0.0 0.640 87.0 53.1 -68.7 -13.9 -13.5 -11.9 33.4 34 36 A H T 4 S+ 0 0 166 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.779 113.8 42.4 -90.4 -28.5 -13.2 -12.9 37.0 35 37 A T T 4 S+ 0 0 101 -3,-0.3 218,-0.2 2,-0.1 -2,-0.2 0.581 88.8 105.6 -90.2 -19.5 -11.0 -9.9 37.9 36 38 A A S < S- 0 0 18 -4,-1.5 2,-0.6 216,-0.1 218,-0.2 -0.484 70.1-130.8 -68.3 133.0 -13.1 -7.3 35.9 37 39 A K E -c 254 0B 111 216,-2.6 218,-3.0 -2,-0.2 2,-0.4 -0.794 6.9-131.5 -96.6 122.2 -15.1 -5.1 38.2 38 40 A Y E -c 255 0B 78 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.570 24.2-163.9 -69.0 120.2 -18.8 -4.5 37.6 39 41 A D > - 0 0 28 216,-2.8 3,-1.4 -2,-0.4 -1,-0.1 -0.943 10.9-169.9-113.7 108.8 -19.2 -0.7 37.8 40 42 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.593 83.7 68.3 -78.6 -6.3 -22.9 0.2 38.2 41 43 A S T 3 S+ 0 0 86 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.379 76.6 109.7 -89.5 -0.5 -22.1 3.9 37.7 42 44 A L < - 0 0 30 -3,-1.4 3,-0.1 213,-0.2 38,-0.0 -0.724 64.9-140.7 -80.2 131.7 -21.2 3.0 34.1 43 45 A K - 0 0 117 37,-1.2 39,-0.1 -2,-0.4 -2,-0.1 -0.433 25.4 -92.1 -90.3 159.8 -23.8 4.4 31.7 44 46 A P - 0 0 111 0, 0.0 36,-2.1 0, 0.0 2,-0.1 -0.433 48.6-104.2 -65.4 147.8 -25.1 2.6 28.6 45 47 A L E -D 79 0B 18 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.445 27.5-145.9 -70.4 154.1 -23.2 3.3 25.4 46 48 A S E -D 78 0B 50 32,-2.9 32,-2.3 -2,-0.1 2,-0.6 -0.971 16.4-177.6-126.6 111.8 -24.8 5.7 22.9 47 49 A V E +D 77 0B 35 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.962 4.8 179.4-111.8 113.3 -24.1 4.9 19.2 48 50 A S E +D 76 0B 35 28,-3.0 28,-2.2 -2,-0.6 3,-0.1 -0.897 23.0 144.3-118.4 97.8 -25.6 7.4 16.7 49 51 A Y > + 0 0 2 -2,-0.7 3,-1.5 26,-0.2 130,-0.2 0.227 34.1 107.2-114.8 8.0 -24.6 6.1 13.3 50 52 A D T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.684 85.6 41.5 -61.3 -25.9 -27.7 7.0 11.3 51 53 A Q T 3 S+ 0 0 133 23,-0.9 -1,-0.3 -3,-0.1 24,-0.2 0.173 84.1 148.1-108.0 15.9 -26.0 10.0 9.4 52 54 A A < - 0 0 25 -3,-1.5 2,-0.4 22,-0.2 123,-0.1 -0.079 30.5-162.3 -52.5 146.2 -22.7 8.1 8.8 53 55 A T - 0 0 49 16,-0.2 16,-2.8 121,-0.1 2,-0.3 -0.845 1.8-165.8-137.5 94.9 -20.9 9.1 5.6 54 56 A S E +E 68 0B 2 -2,-0.4 121,-0.6 122,-0.3 14,-0.3 -0.598 11.0 173.7 -79.6 151.7 -18.2 6.7 4.5 55 57 A L E + 0 0 74 12,-2.8 118,-2.8 1,-0.3 2,-0.3 0.737 52.1 3.7-115.1 -55.1 -15.9 8.1 1.8 56 58 A R E -EF 67 172B 89 11,-0.9 11,-2.8 116,-0.3 2,-0.4 -0.954 44.1-142.7-144.3 157.5 -13.1 5.6 1.1 57 59 A I E -EF 66 171B 0 114,-3.1 114,-2.8 -2,-0.3 2,-0.4 -0.989 30.6-174.8-121.4 133.7 -11.5 2.3 1.7 58 60 A L E -EF 65 170B 30 7,-2.5 7,-2.8 -2,-0.4 2,-0.7 -0.995 28.6-144.2-137.5 143.8 -7.7 2.1 1.8 59 61 A N E +E 64 0B 0 110,-3.1 109,-3.0 -2,-0.4 5,-0.2 -0.877 21.4 178.0 -99.2 117.1 -4.9 -0.4 2.0 60 62 A N - 0 0 37 3,-2.1 -1,-0.1 -2,-0.7 4,-0.1 0.345 54.5-100.5-103.0 1.2 -2.2 1.3 4.1 61 63 A G S S+ 0 0 13 2,-0.6 3,-0.1 166,-0.2 106,-0.1 0.417 116.7 54.0 96.6 -6.3 0.1 -1.7 4.2 62 64 A H S S- 0 0 46 1,-0.6 2,-0.3 -58,-0.1 166,-0.1 0.519 123.7 -26.8-128.9 -25.3 -0.8 -2.9 7.7 63 65 A A S S- 0 0 0 -5,-0.1 -3,-2.1 165,-0.1 -1,-0.6 -0.876 70.9 -89.9-161.9-165.6 -4.6 -3.2 7.4 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 29,-0.2 2,-0.5 -0.977 35.6-155.8-122.7 128.8 -7.5 -1.7 5.4 65 67 A N E -EG 58 92B 20 -7,-2.8 -7,-2.5 -2,-0.4 2,-0.7 -0.911 10.4-153.3-108.7 139.1 -9.3 1.4 6.7 66 68 A V E -EG 57 91B 0 25,-2.8 25,-1.9 -2,-0.5 2,-0.3 -0.954 28.1-152.9-102.3 116.8 -12.8 2.4 5.9 67 69 A E E -EG 56 90B 47 -11,-2.8 -12,-2.8 -2,-0.7 -11,-0.9 -0.714 9.3-159.8 -97.8 145.0 -12.7 6.2 6.3 68 70 A F E -E 54 0B 8 21,-2.8 2,-0.7 -2,-0.3 -14,-0.2 -0.833 30.2-100.6-122.0 157.2 -15.6 8.5 7.2 69 71 A D + 0 0 35 -16,-2.8 -16,-0.2 -2,-0.3 5,-0.2 -0.753 38.5 174.0 -79.8 115.9 -16.4 12.2 6.9 70 72 A D + 0 0 40 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 -0.250 43.9 113.0-114.5 36.8 -15.7 13.6 10.4 71 73 A S S S+ 0 0 76 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.631 88.1 13.1 -81.6 -16.1 -16.2 17.3 9.4 72 74 A Q S S- 0 0 106 -3,-0.2 2,-2.2 3,-0.0 3,-0.4 -0.921 100.2 -77.3-149.3 172.0 -19.3 17.3 11.6 73 75 A D S S+ 0 0 84 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.378 77.8 128.3 -75.8 60.6 -21.1 15.3 14.3 74 76 A K S S+ 0 0 55 -2,-2.2 -23,-0.9 1,-0.3 2,-0.5 0.910 74.9 21.8 -84.6 -52.1 -22.5 12.7 11.8 75 77 A A S S+ 0 0 6 -3,-0.4 13,-2.9 -6,-0.2 2,-0.3 -0.973 85.6 165.3-123.0 110.1 -21.5 9.4 13.4 76 78 A V E -DH 48 87B 8 -28,-2.2 -28,-3.0 -2,-0.5 2,-0.4 -0.932 29.4-152.7-132.6 156.4 -20.8 9.7 17.1 77 79 A L E +DH 47 86B 0 9,-3.1 9,-1.9 -2,-0.3 2,-0.3 -0.954 28.3 148.4-120.2 137.6 -20.3 7.7 20.3 78 80 A K E +D 46 0B 71 -32,-2.3 -32,-2.9 -2,-0.4 2,-0.2 -0.926 37.2 46.9-153.6-178.4 -21.1 9.0 23.8 79 81 A G E > S+D 45 0B 21 3,-0.5 3,-2.7 5,-0.3 -34,-0.3 -0.519 72.5 86.6 79.1-149.0 -22.2 7.7 27.2 80 82 A G T 3 S- 0 0 0 -36,-2.1 -37,-1.2 1,-0.3 -1,-0.1 -0.333 122.4 -29.3 56.9-136.0 -20.6 4.5 28.6 81 83 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.327 116.1 112.8 -89.1 1.4 -17.5 5.7 30.4 82 84 A L < - 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