==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 22-MAY-02 1LUG . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.MERRITT,I.LE TRONG,C.A.BEHNKE . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 62.4 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 . 58 22.5 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 . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.4 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 . 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 0 2 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 0 156 0, 0.0 2,-0.1 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 24.0 13.3 0.1 9.3 2 4 A H - 0 0 157 7,-0.1 0, 0.0 2,-0.0 0, 0.0 0.444 360.0-123.3 -98.3 153.4 9.7 0.2 8.4 3 5 A W + 0 0 63 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.265 48.7 133.4 -68.1 154.4 7.6 -1.4 11.1 4 6 A G - 0 0 11 5,-2.6 10,-0.1 2,-0.2 -1,-0.1 -0.756 64.7 -75.8-165.1-145.0 5.4 -4.3 10.4 5 7 A Y S S+ 0 0 37 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.198 84.6 107.1-125.1 10.2 4.4 -7.7 11.5 6 8 A G S >> S- 0 0 41 4,-0.1 4,-1.7 1,-0.1 3,-0.6 -0.234 84.4 -96.4 -80.3 177.7 7.4 -9.9 10.4 7 9 A K T 34 S+ 0 0 188 1,-0.2 5,-0.1 2,-0.2 -1,-0.1 0.825 123.9 38.6 -61.0 -38.2 10.3 -11.5 12.4 8 10 A H T 34 S+ 0 0 139 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.494 131.7 23.5 -95.3 -10.5 12.6 -8.5 11.7 9 11 A N T <4 S+ 0 0 44 -3,-0.6 -5,-2.6 -6,-0.1 -2,-0.2 0.231 96.6 111.6-135.7 12.2 10.1 -5.6 12.0 10 12 A G S >X S- 0 0 3 -4,-1.7 3,-2.9 -7,-0.2 4,-0.9 0.082 86.0 -61.4 -88.9-166.3 7.2 -6.9 14.2 11 13 A P T 34 S+ 0 0 26 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.718 127.5 58.9 -50.4 -33.1 5.9 -6.2 17.6 12 14 A E T 34 S+ 0 0 140 1,-0.2 -5,-0.1 2,-0.1 -2,-0.0 0.615 110.8 43.9 -72.3 -13.7 9.2 -7.2 19.5 13 15 A H T X4 S+ 0 0 55 -3,-2.9 3,-1.9 1,-0.1 4,-0.5 0.613 87.6 88.1-100.5 -17.0 11.1 -4.6 17.5 14 16 A W G >X S+ 0 0 5 -4,-0.9 4,-2.4 -3,-0.3 3,-1.0 0.794 74.6 70.2 -58.8 -31.8 8.7 -1.6 17.7 15 17 A H G 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.746 86.8 66.4 -59.5 -24.8 10.1 -0.3 21.0 16 18 A K G <4 S+ 0 0 128 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.862 117.7 23.6 -68.2 -37.0 13.4 0.8 19.3 17 19 A D T <4 S+ 0 0 111 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.671 136.0 36.9 -92.5 -24.0 11.7 3.4 17.2 18 20 A F >< - 0 0 59 -4,-2.4 3,-2.6 1,-0.1 -1,-0.2 -0.739 65.6-179.3-128.6 79.3 8.7 3.8 19.5 19 21 A P G > S+ 0 0 98 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.729 75.9 75.9 -58.6 -23.8 9.9 3.5 23.1 20 22 A I G > S+ 0 0 55 1,-0.3 3,-2.6 179,-0.2 5,-0.2 0.654 70.8 88.5 -59.2 -13.6 6.3 4.0 24.4 21 23 A A G < S+ 0 0 6 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.746 91.7 45.2 -52.5 -28.5 5.8 0.4 23.3 22 24 A K G < S+ 0 0 145 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 -0.002 97.2 130.1-103.2 23.4 7.1 -0.5 26.8 23 25 A G S < S- 0 0 17 -3,-2.6 3,-0.5 1,-0.1 -3,-0.1 0.111 71.9-100.5 -76.4-176.3 4.8 2.2 28.4 24 26 A E S S+ 0 0 118 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.536 112.6 33.8 -85.7 -12.6 2.4 2.2 31.3 25 27 A R S S+ 0 0 49 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.242 78.4 155.8-144.4 57.0 -0.8 1.9 29.3 26 28 A Q - 0 0 2 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.480 32.3-100.1 -86.6 153.9 -0.2 -0.1 26.2 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.886 77.9 40.0-125.1 158.7 -2.8 -2.1 24.2 28 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.577 65.9 177.5 -77.0 179.8 -4.1 -4.6 23.6 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.933 35.8 -99.6-134.6 162.0 -4.5 -6.5 26.9 30 32 A D E -a 106 0A 30 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.698 33.3-139.3 -78.0 134.6 -5.9 -9.8 28.0 31 33 A I E -a 107 0A 0 75,-2.8 77,-2.7 -2,-0.4 2,-0.9 -0.869 10.7-159.4 -99.5 104.2 -9.3 -9.3 29.5 32 34 A D > - 0 0 66 -2,-0.8 4,-1.9 75,-0.2 3,-0.5 -0.773 5.5-160.6 -85.0 106.9 -9.5 -11.5 32.6 33 35 A T T 4 S+ 0 0 42 -2,-0.9 -1,-0.2 1,-0.2 222,-0.0 0.773 85.7 54.2 -68.5 -28.0 -13.3 -11.7 32.9 34 36 A H T 4 S+ 0 0 167 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.818 111.9 44.2 -74.0 -30.8 -13.2 -12.8 36.5 35 37 A T T 4 S+ 0 0 104 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.732 90.7 98.0 -86.1 -26.7 -11.0 -9.8 37.6 36 38 A A < - 0 0 17 -4,-1.9 2,-0.4 218,-0.1 218,-0.2 -0.372 67.6-145.3 -61.6 140.5 -13.0 -7.2 35.6 37 39 A K E -c 254 0B 139 216,-1.7 218,-2.5 -2,-0.0 -2,-0.1 -0.930 14.6-112.6-115.1 135.3 -15.5 -5.4 37.9 38 40 A Y E -c 255 0B 75 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.387 30.9-152.3 -55.7 134.9 -18.9 -4.1 37.1 39 41 A D > - 0 0 31 216,-2.4 3,-1.4 1,-0.1 -1,-0.1 -0.919 15.2-171.3-118.1 101.1 -18.8 -0.3 37.3 40 42 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.653 82.4 70.7 -67.2 -8.7 -22.1 1.3 38.2 41 43 A S T 3 S+ 0 0 89 2,-0.1 2,-0.2 40,-0.0 -2,-0.0 0.699 74.2 104.1 -81.0 -12.3 -20.6 4.8 37.4 42 44 A L < - 0 0 29 -3,-1.4 3,-0.1 213,-0.2 38,-0.0 -0.458 67.3-140.1 -68.1 139.0 -20.6 4.0 33.6 43 45 A K E -D 80 0B 146 37,-2.0 37,-0.6 -2,-0.2 39,-0.1 -0.474 38.9 -70.8 -88.1 170.2 -23.4 5.7 31.8 44 46 A P E - 0 0 109 0, 0.0 36,-0.7 0, 0.0 2,-0.3 -0.309 53.9-119.7 -59.0 140.6 -25.3 4.1 29.0 45 47 A L E -D 79 0B 24 34,-0.3 2,-0.5 -3,-0.1 34,-0.2 -0.645 25.9-160.8 -82.0 136.2 -23.2 3.7 25.8 46 48 A S E -D 78 0B 34 32,-2.9 32,-2.2 -2,-0.3 2,-0.6 -0.966 12.7-177.7-126.1 113.1 -24.5 5.4 22.7 47 49 A V E -D 77 0B 33 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.958 8.7-179.0-108.5 105.3 -23.4 4.4 19.3 48 50 A S E +D 76 0B 33 28,-3.0 28,-1.9 -2,-0.6 3,-0.2 -0.799 21.5 145.3-118.2 91.7 -25.1 6.8 16.9 49 51 A Y > + 0 0 3 -2,-0.7 3,-2.0 26,-0.2 130,-0.2 0.301 31.3 112.2-106.6 6.0 -24.2 5.9 13.3 50 52 A D T 3 S+ 0 0 91 1,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.792 86.6 37.6 -54.2 -33.4 -27.3 6.7 11.4 51 53 A Q T 3 S+ 0 0 120 23,-0.3 -1,-0.3 -3,-0.2 24,-0.2 0.249 81.7 143.7-108.4 22.5 -25.7 9.6 9.5 52 54 A A < - 0 0 21 -3,-2.0 2,-0.6 22,-0.2 18,-0.1 -0.276 34.1-158.9 -61.9 139.0 -22.3 8.1 9.0 53 55 A T - 0 0 43 16,-0.4 16,-2.8 122,-0.1 2,-0.2 -0.890 4.7-162.6-126.5 98.8 -20.8 9.0 5.6 54 56 A S E +E 68 0B 0 -2,-0.6 121,-0.6 122,-0.3 14,-0.3 -0.473 11.3 177.1 -75.8 155.6 -18.1 6.7 4.4 55 57 A L E - 0 0 75 12,-3.3 118,-2.3 1,-0.4 2,-0.3 0.713 50.6 -5.7-122.5 -44.3 -15.8 7.9 1.7 56 58 A R E -EF 67 172B 82 11,-1.1 11,-2.9 116,-0.3 2,-0.4 -0.990 46.6-133.7-160.7 157.4 -13.1 5.6 0.8 57 59 A I E -EF 66 171B 0 114,-2.4 114,-2.2 -2,-0.3 2,-0.4 -0.979 27.9-170.8-126.0 134.9 -11.3 2.3 1.6 58 60 A L E -EF 65 170B 34 7,-2.5 7,-2.5 -2,-0.4 2,-0.7 -0.980 25.0-144.7-134.5 132.1 -7.6 2.2 1.7 59 61 A N E +E 64 0B 0 110,-2.8 109,-3.1 -2,-0.4 5,-0.2 -0.859 22.3 179.6 -89.2 111.1 -4.8 -0.5 1.9 60 62 A N - 0 0 33 3,-1.9 4,-0.1 -2,-0.7 -1,-0.1 0.279 52.4-101.3 -97.7 9.3 -2.2 1.2 4.1 61 63 A G S S+ 0 0 13 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.410 116.8 54.3 88.3 -7.9 0.2 -1.7 4.1 62 64 A H S S- 0 0 55 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.593 124.9 -30.2-126.7 -34.6 -0.8 -2.9 7.6 63 65 A A S S- 0 0 4 -5,-0.1 -3,-1.9 31,-0.1 -1,-0.6 -0.811 72.0 -89.6-157.3-164.6 -4.5 -3.3 7.3 64 66 A F E -E 59 0B 0 -2,-0.3 2,-0.5 29,-0.2 29,-0.5 -0.988 34.1-151.2-119.1 140.4 -7.3 -1.6 5.3 65 67 A N E -E 58 0B 22 -7,-2.5 -7,-2.5 -2,-0.4 2,-0.6 -0.918 8.9-152.3-109.1 130.8 -9.2 1.4 6.5 66 68 A V E -EG 57 91B 0 25,-2.7 25,-1.9 -2,-0.5 2,-0.3 -0.913 30.9-151.5 -93.3 115.0 -12.8 2.4 5.7 67 69 A E E -EG 56 90B 44 -11,-2.9 -12,-3.3 -2,-0.6 -11,-1.1 -0.717 9.6-155.9 -97.9 147.0 -12.6 6.2 6.1 68 70 A F E -E 54 0B 9 21,-2.6 2,-0.8 -2,-0.3 -14,-0.2 -0.862 27.6-108.9-120.7 152.8 -15.4 8.5 7.1 69 71 A D + 0 0 45 -16,-2.8 -16,-0.4 -2,-0.3 3,-0.3 -0.737 38.2 175.5 -74.6 109.9 -16.1 12.2 6.5 70 72 A D + 0 0 43 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.005 46.2 106.0-109.3 29.4 -15.6 13.5 10.0 71 73 A S S S+ 0 0 85 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.576 81.6 38.2 -84.1 -9.1 -16.1 17.2 9.1 72 74 A Q S S- 0 0 115 -3,-0.3 2,-1.5 3,-0.0 3,-0.2 -0.917 100.6 -87.9-137.6 166.7 -19.5 17.4 10.7 73 75 A D S S+ 0 0 114 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.549 80.3 119.4 -83.1 94.3 -21.2 16.0 13.8 74 76 A K + 0 0 57 -2,-1.5 2,-0.8 1,-0.3 -23,-0.3 0.554 60.3 28.5-120.2 -96.5 -22.4 12.7 12.3 75 77 A A S S+ 0 0 4 -24,-0.2 13,-2.9 -3,-0.2 2,-0.4 -0.719 78.9 170.3 -76.8 101.2 -21.4 9.2 13.5 76 78 A V E -DH 48 87B 9 -28,-1.9 -28,-3.0 -2,-0.8 2,-0.4 -0.920 32.6-150.3-130.8 152.5 -20.6 9.6 17.1 77 79 A L E +DH 47 86B 0 9,-2.9 9,-2.4 -2,-0.4 2,-0.3 -0.971 31.2 154.1-113.7 131.5 -19.9 7.5 20.2 78 80 A K E +D 46 0B 74 -32,-2.2 -32,-2.9 -2,-0.4 7,-0.1 -0.896 32.7 35.9-148.7 171.7 -20.8 8.9 23.6 79 81 A G E > S+D 45 0B 15 5,-0.5 3,-2.5 3,-0.4 -34,-0.3 -0.276 72.9 79.3 78.0-163.4 -21.7 7.6 27.1 80 82 A G E 3 S-D 43 0B 4 -36,-0.7 -37,-2.0 -37,-0.6 -1,-0.2 -0.424 122.5 -18.9 58.0-129.1 -20.2 4.7 28.8 81 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.529 114.8 111.8 -82.2 -4.2 -16.9 5.7 30.2 82 84 A L < - 0 0 12 -3,-2.5 2,-0.6 -39,-0.1 -3,-0.4 -0.511 56.4-151.9 -84.4 143.4 -16.7 8.7 27.9 83 85 A D S S- 0 0 134 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.902 70.2 -18.5-103.1 117.3 -16.9 12.3 28.8 84 86 A G S S- 0 0 49 -2,-0.6 -5,-0.5 38,-0.1 2,-0.4 -0.404 101.1 -34.0 85.1-156.9 -18.3 14.2 25.8 85 87 A T - 0 0 43 -7,-0.1 38,-2.7 -2,-0.1 2,-0.5 -0.887 42.0-163.7-117.0 135.0 -18.6 13.3 22.1 86 88 A Y E -HI 77 122B 3 -9,-2.4 -9,-2.9 -2,-0.4 2,-0.4 -0.966 14.2-144.5-120.5 130.4 -16.3 11.2 20.0 87 89 A R E -HI 76 121B 41 34,-2.8 34,-2.1 -2,-0.5 2,-0.2 -0.762 18.0-117.4-103.3 132.6 -16.5 11.2 16.2 88 90 A L E + I 0 120B 2 -13,-2.9 32,-0.3 -2,-0.4 -13,-0.2 -0.472 37.6 164.1 -65.9 129.0 -16.0 8.2 13.9 89 91 A I E - 0 0 36 30,-2.8 -21,-2.6 1,-0.4 2,-0.3 0.700 60.5 -22.7-113.6 -35.9 -13.0 8.7 11.6 90 92 A Q E -GI 67 119B 35 29,-1.2 29,-3.0 -23,-0.2 -1,-0.4 -0.978 47.6-144.7-163.9 160.2 -12.2 5.2 10.3 91 93 A F E +GI 66 118B 0 -25,-1.9 -25,-2.7 -2,-0.3 2,-0.3 -0.964 22.3 160.8-130.8 158.9 -12.5 1.5 11.0 92 94 A H E - 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