==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-APR-01 1IF7 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.A.GRZYBOWSKI,A.V.ISHCHENKO,C.-Y.KIM,G.TOPALOV,R.CHAPMAN, . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 63.6 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 . 23 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.0 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 . 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 3 A H 0 0 229 0, 0.0 7,-0.0 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 101.5 13.4 -1.6 8.3 2 4 A H - 0 0 118 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.602 360.0 -82.0 59.9 139.2 9.8 -0.5 9.2 3 5 A W + 0 0 39 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.181 57.5 141.7 -70.1 162.8 7.6 -2.6 11.5 4 6 A G - 0 0 13 5,-2.4 10,-0.1 2,-0.1 58,-0.1 -0.831 58.3 -89.8-169.4-156.5 5.5 -5.6 10.5 5 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.103 82.3 108.8-125.2 19.2 4.4 -9.0 11.8 6 8 A G S >> S- 0 0 36 1,-0.1 4,-1.3 4,-0.1 3,-0.7 -0.333 85.9 -92.7 -91.6 178.3 7.2 -11.1 10.5 7 9 A K T 34 S+ 0 0 146 1,-0.2 3,-0.2 2,-0.2 5,-0.1 0.894 123.1 39.1 -56.2 -43.7 10.1 -12.8 12.2 8 10 A H T 34 S+ 0 0 162 1,-0.2 -1,-0.2 -7,-0.0 -3,-0.0 0.553 130.5 22.8 -91.5 -3.9 12.5 -9.9 11.8 9 11 A N T <4 S+ 0 0 51 -3,-0.7 -5,-2.4 -6,-0.0 -2,-0.2 0.147 92.7 126.2-145.1 19.4 10.2 -6.9 12.4 10 12 A G S >X S- 0 0 0 -4,-1.3 3,-3.0 -5,-0.2 4,-1.0 -0.017 79.7 -70.3 -74.9-177.2 7.3 -8.3 14.5 11 13 A P T 34 S+ 0 0 24 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.757 128.1 60.0 -43.4 -38.9 5.8 -7.3 17.8 12 14 A E T 34 S+ 0 0 106 1,-0.2 4,-0.1 2,-0.1 -5,-0.0 0.627 109.0 44.3 -69.3 -13.0 8.9 -8.5 19.8 13 15 A H T X4 S+ 0 0 54 -3,-3.0 3,-1.9 1,-0.1 4,-0.5 0.623 88.4 89.6-103.5 -16.4 11.1 -6.0 17.9 14 16 A W G >X S+ 0 0 6 -4,-1.0 4,-2.5 -3,-0.4 3,-1.1 0.825 74.0 68.6 -52.2 -37.1 8.7 -3.0 18.1 15 17 A H G 34 S+ 0 0 71 -4,-0.5 -1,-0.3 1,-0.2 7,-0.1 0.751 86.9 69.2 -56.0 -28.0 10.1 -1.7 21.3 16 18 A K G <4 S+ 0 0 127 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.887 116.7 21.1 -61.9 -38.6 13.4 -0.7 19.6 17 19 A D T <4 S+ 0 0 134 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.657 132.8 43.9-101.4 -20.5 11.8 2.1 17.6 18 20 A F >< - 0 0 60 -4,-2.5 3,-2.4 1,-0.1 -1,-0.2 -0.751 63.1-177.7-127.8 84.0 8.8 2.6 19.9 19 21 A P G > S+ 0 0 101 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.770 76.8 75.8 -50.5 -27.9 9.9 2.5 23.5 20 22 A I G > S+ 0 0 62 1,-0.3 3,-2.2 179,-0.2 -5,-0.1 0.643 71.5 88.4 -63.4 -11.0 6.2 2.9 24.7 21 23 A A G < S+ 0 0 7 -3,-2.4 -1,-0.3 1,-0.3 -6,-0.1 0.791 89.5 45.5 -56.7 -31.7 5.9 -0.8 23.7 22 24 A K G < S+ 0 0 151 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.1 -0.053 94.5 135.7-101.5 28.5 7.0 -1.7 27.3 23 25 A G < - 0 0 14 -3,-2.2 3,-0.4 1,-0.1 -3,-0.0 0.101 68.1-108.1 -67.4-175.1 4.7 0.9 28.8 24 26 A E S S+ 0 0 117 1,-0.2 226,-0.2 225,-0.1 -1,-0.1 0.629 111.3 37.6 -92.1 -20.4 2.3 0.8 31.7 25 27 A R S S+ 0 0 50 224,-0.1 2,-0.2 168,-0.1 -1,-0.2 -0.375 80.0 152.3-130.7 58.8 -1.0 0.7 29.8 26 28 A Q - 0 0 3 -3,-0.4 220,-0.1 221,-0.3 170,-0.1 -0.554 33.3-103.2 -88.5 149.0 -0.4 -1.4 26.7 27 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.902 76.3 43.7-123.3 161.2 -3.0 -3.4 24.7 28 30 A P + 0 0 0 0, 0.0 218,-3.7 0, 0.0 2,-0.3 0.561 64.5 176.1 -84.4 171.4 -4.2 -6.0 24.0 29 31 A V - 0 0 1 216,-0.3 77,-1.0 -2,-0.2 2,-0.4 -0.863 35.5-100.7-132.9 164.4 -4.6 -7.9 27.3 30 32 A D E -a 106 0A 35 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.752 32.6-136.0 -87.1 131.6 -6.2 -11.2 28.3 31 33 A I E -a 107 0A 0 75,-3.1 77,-3.1 -2,-0.4 2,-1.0 -0.821 12.8-161.8 -92.7 103.5 -9.6 -10.7 29.9 32 34 A D >> - 0 0 66 -2,-0.8 3,-1.6 75,-0.2 4,-1.1 -0.800 5.6-160.7 -84.6 103.1 -9.8 -13.0 33.0 33 35 A T T 34 S+ 0 0 46 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.735 86.6 55.0 -57.6 -27.8 -13.6 -13.1 33.5 34 36 A H T 34 S+ 0 0 171 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.638 111.4 45.4 -82.9 -12.0 -13.4 -14.2 37.1 35 37 A T T <4 S+ 0 0 99 -3,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.570 85.5 103.8-104.8 -17.0 -11.2 -11.2 38.0 36 38 A A S < S- 0 0 20 -4,-1.1 2,-0.6 216,-0.1 218,-0.2 -0.456 71.5-127.4 -67.1 140.9 -13.1 -8.4 36.2 37 39 A K E -c 254 0B 112 216,-2.0 218,-2.4 -2,-0.1 2,-0.5 -0.815 10.7-130.6 -98.8 122.3 -15.2 -6.3 38.6 38 40 A Y E -c 255 0B 85 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.601 25.3-165.0 -67.5 118.2 -18.8 -5.8 37.9 39 41 A D > - 0 0 25 216,-2.3 3,-1.5 -2,-0.5 -1,-0.1 -0.920 10.4-168.2-111.0 105.6 -19.2 -2.0 38.2 40 42 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.648 81.9 68.2 -68.7 -14.2 -22.9 -1.1 38.5 41 43 A S T 3 S+ 0 0 87 2,-0.1 2,-0.3 0, 0.0 215,-0.1 0.518 73.5 107.6 -81.8 -6.3 -22.3 2.6 37.9 42 44 A L < - 0 0 30 -3,-1.5 3,-0.1 213,-0.2 38,-0.0 -0.592 67.3-138.3 -71.8 131.3 -21.3 1.9 34.3 43 45 A K - 0 0 137 37,-1.0 39,-0.1 -2,-0.3 2,-0.1 -0.441 27.2 -87.2 -87.0 163.0 -24.0 3.2 32.0 44 46 A P - 0 0 110 0, 0.0 36,-1.3 0, 0.0 -1,-0.1 -0.412 49.6-102.3 -69.9 148.4 -25.3 1.4 28.9 45 47 A L E -D 79 0B 17 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.448 27.6-149.5 -67.6 149.4 -23.4 2.0 25.6 46 48 A S E -D 78 0B 47 32,-2.7 32,-2.1 -2,-0.1 2,-0.6 -0.944 15.3-177.3-125.1 102.7 -25.0 4.4 23.1 47 49 A V E +D 77 0B 36 -2,-0.5 2,-0.5 30,-0.2 30,-0.2 -0.922 4.3 176.9-104.3 118.3 -24.2 3.6 19.5 48 50 A S E +D 76 0B 41 28,-2.5 28,-2.3 -2,-0.6 3,-0.2 -0.809 21.7 143.1-123.8 88.3 -25.6 6.0 17.0 49 51 A Y > + 0 0 3 -2,-0.5 3,-1.6 26,-0.2 130,-0.2 0.194 33.4 111.9-109.5 15.5 -24.5 5.0 13.5 50 52 A D T 3 S+ 0 0 92 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.736 84.5 40.0 -63.7 -23.3 -27.7 5.8 11.5 51 53 A Q T 3 S+ 0 0 133 23,-0.9 -1,-0.3 -3,-0.2 24,-0.2 0.113 84.2 145.8-111.9 23.0 -26.1 8.8 9.7 52 54 A A < - 0 0 22 -3,-1.6 2,-0.6 22,-0.1 18,-0.1 -0.329 33.4-158.1 -64.1 132.4 -22.7 7.1 9.0 53 55 A T - 0 0 49 16,-0.4 16,-2.7 -2,-0.1 2,-0.1 -0.875 4.7-165.7-117.3 101.9 -20.9 8.0 5.8 54 56 A S E +E 68 0B 0 -2,-0.6 121,-0.6 122,-0.3 14,-0.3 -0.485 12.7 170.5 -79.2 154.2 -18.3 5.5 4.6 55 57 A L E + 0 0 81 12,-2.8 118,-2.3 1,-0.4 2,-0.3 0.639 49.9 6.3-133.0 -37.4 -16.0 6.8 1.8 56 58 A R E -EF 67 172B 84 11,-1.0 11,-3.1 116,-0.3 2,-0.4 -0.991 44.6-145.9-156.2 153.3 -13.1 4.5 1.0 57 59 A I E -EF 66 171B 0 114,-2.4 114,-2.3 -2,-0.3 2,-0.4 -0.975 27.4-176.7-121.8 136.3 -11.5 1.2 1.7 58 60 A L E -EF 65 170B 28 7,-2.2 7,-2.3 -2,-0.4 2,-0.7 -0.995 29.3-140.3-139.6 144.2 -7.7 1.0 1.7 59 61 A N E +E 64 0B 0 110,-2.7 109,-2.6 -2,-0.4 5,-0.2 -0.916 23.4 179.9 -99.6 113.7 -5.0 -1.6 2.0 60 62 A N - 0 0 44 3,-1.9 4,-0.1 -2,-0.7 -1,-0.1 0.196 53.5 -95.7-102.5 16.1 -2.3 0.1 4.1 61 63 A G S S+ 0 0 17 2,-0.3 3,-0.1 166,-0.2 106,-0.1 0.266 118.2 47.2 93.2 -17.1 0.3 -2.7 4.3 62 64 A H S S- 0 0 46 1,-0.6 2,-0.3 -58,-0.1 166,-0.1 0.502 124.5 -22.2-131.3 -11.3 -0.8 -4.2 7.7 63 65 A A S S- 0 0 3 165,-0.1 -3,-1.9 31,-0.1 -1,-0.6 -0.910 71.1 -93.0-177.2-178.8 -4.6 -4.4 7.4 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 29,-0.2 2,-0.4 -0.977 34.4-156.8-118.1 134.2 -7.5 -2.9 5.4 65 67 A N E -E 58 0B 17 -7,-2.3 -7,-2.2 -2,-0.4 2,-0.6 -0.916 10.6-152.3-110.9 138.4 -9.3 0.2 6.7 66 68 A V E -EG 57 91B 0 25,-2.6 25,-1.7 -2,-0.4 2,-0.3 -0.963 27.6-150.3-105.2 118.9 -12.8 1.3 5.8 67 69 A E E -EG 56 90B 54 -11,-3.1 -12,-2.8 -2,-0.6 -11,-1.0 -0.698 9.9-159.0 -95.3 147.8 -12.8 5.1 6.3 68 70 A F E -E 54 0B 11 21,-2.4 2,-0.8 -2,-0.3 -14,-0.2 -0.848 30.6-100.6-123.9 158.5 -15.7 7.4 7.3 69 71 A D + 0 0 45 -16,-2.7 -16,-0.4 -2,-0.3 3,-0.3 -0.708 41.6 171.5 -77.7 108.4 -16.5 11.1 6.9 70 72 A D + 0 0 44 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.024 45.4 107.2-109.7 26.0 -15.8 12.4 10.5 71 73 A S S S+ 0 0 78 1,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.684 89.4 23.5 -76.1 -17.5 -16.1 16.1 9.6 72 74 A Q S S- 0 0 117 -3,-0.3 2,-3.0 3,-0.0 3,-0.4 -0.955 100.7 -85.5-143.9 161.7 -19.4 16.1 11.6 73 75 A D S S+ 0 0 91 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.354 74.4 135.1 -68.3 71.1 -21.1 14.1 14.3 74 76 A K S S+ 0 0 53 -2,-3.0 -23,-0.9 1,-0.3 2,-0.5 0.887 73.0 17.1 -87.2 -48.6 -22.5 11.5 11.8 75 77 A A S S+ 0 0 6 -3,-0.4 13,-2.3 13,-0.2 -1,-0.3 -0.990 83.9 172.0-127.7 118.9 -21.7 8.3 13.6 76 78 A V E -DH 48 87B 16 -28,-2.3 -28,-2.5 -2,-0.5 2,-0.4 -0.908 28.8-147.7-132.7 162.2 -20.9 8.5 17.3 77 79 A L E +DH 47 86B 0 9,-2.3 9,-1.8 -2,-0.3 2,-0.3 -0.983 29.9 155.6-126.1 130.7 -20.4 6.5 20.5 78 80 A K E +D 46 0B 89 -32,-2.1 -32,-2.7 -2,-0.4 7,-0.1 -0.870 37.0 41.3-142.0 176.1 -21.4 7.9 23.9 79 81 A G E > S+D 45 0B 21 3,-0.3 3,-2.1 -2,-0.3 -34,-0.3 -0.315 72.8 75.8 79.7-165.8 -22.3 6.3 27.2 80 82 A G T 3 S- 0 0 7 -36,-1.3 -37,-1.0 1,-0.3 -1,-0.1 -0.337 120.1 -20.0 60.8-133.1 -20.7 3.4 28.9 81 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.305 113.9 112.2 -89.8 9.2 -17.3 4.5 30.6 82 84 A L < - 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