==== 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 31-MAR-05 1Z93 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE III; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.M.DUDA,C.TU,S.Z.FISHER,H.AN,C.YOSHIOKA,L.GOVINDASAMY, . 263 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 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 . 22 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 6.5 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 0 1 0 1 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 1 2 1 1 0 2 0 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 E 0 0 194 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -50.3 33.7 -13.2 -10.6 2 5 A W + 0 0 37 195,-0.1 2,-0.3 14,-0.0 7,-0.1 -0.571 360.0 163.1-114.0 178.2 37.4 -13.6 -11.5 3 6 A G - 0 0 6 5,-1.8 10,-0.1 -2,-0.2 58,-0.1 -0.917 47.3 -90.8-171.1-163.4 39.4 -16.7 -12.3 4 7 A Y S S+ 0 0 50 -2,-0.3 5,-0.2 5,-0.2 237,-0.1 0.172 79.5 109.3-118.7 17.2 42.6 -18.2 -13.8 5 8 A A S S- 0 0 46 3,-0.2 4,-0.1 1,-0.1 -2,-0.1 0.069 85.2 -96.2 -75.4-165.9 41.4 -18.9 -17.3 6 9 A S S S+ 0 0 111 2,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.708 121.4 43.5 -89.6 -20.5 42.7 -16.9 -20.4 7 10 A H S S+ 0 0 137 1,-0.1 -1,-0.1 5,-0.0 -3,-0.0 0.632 127.4 28.4 -96.7 -18.0 39.8 -14.4 -20.5 8 11 A N S S+ 0 0 41 -6,-0.1 -5,-1.8 5,-0.0 -2,-0.2 -0.025 94.3 124.1-132.8 30.0 39.6 -13.8 -16.7 9 12 A G S >> S- 0 0 5 -5,-0.2 3,-3.4 -7,-0.1 4,-0.5 -0.222 79.9 -74.9 -88.2 179.6 43.2 -14.4 -15.6 10 13 A P H >> S+ 0 0 28 0, 0.0 3,-1.1 0, 0.0 4,-0.6 0.783 129.2 57.6 -39.1 -44.2 45.8 -12.3 -13.7 11 14 A D H 34 S+ 0 0 137 1,-0.2 -5,-0.0 2,-0.1 -2,-0.0 0.478 112.1 43.7 -72.0 0.2 46.5 -10.1 -16.7 12 15 A H H X4 S+ 0 0 82 -3,-3.4 3,-0.6 2,-0.1 4,-0.4 0.386 89.5 86.0-122.5 -1.5 42.8 -9.2 -16.8 13 16 A W H XX S+ 0 0 4 -3,-1.1 4,-3.1 -4,-0.5 3,-2.6 0.917 76.9 65.8 -67.7 -45.2 42.1 -8.6 -13.0 14 17 A H T 3< S+ 0 0 83 -4,-0.6 -1,-0.2 1,-0.3 7,-0.1 0.691 93.1 64.8 -51.6 -21.0 43.2 -4.9 -13.0 15 18 A E T <4 S+ 0 0 146 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.823 119.1 22.0 -73.1 -30.7 40.2 -4.3 -15.2 16 19 A L T <4 S+ 0 0 113 -3,-2.6 -2,-0.2 -4,-0.4 -1,-0.2 0.642 132.8 39.5-108.5 -22.1 37.8 -5.3 -12.4 17 20 A F >< - 0 0 32 -4,-3.1 3,-2.9 1,-0.1 4,-0.3 -0.788 65.5-164.5-133.5 90.2 40.1 -4.8 -9.4 18 21 A P G > S+ 0 0 102 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.747 85.5 69.6 -41.8 -37.5 42.2 -1.6 -9.6 19 22 A N G > S+ 0 0 76 1,-0.3 3,-2.3 179,-0.2 -5,-0.1 0.768 80.9 76.0 -56.8 -25.6 44.5 -2.8 -6.8 20 23 A A G < S+ 0 0 9 -3,-2.9 -1,-0.3 1,-0.3 -6,-0.1 0.839 94.5 51.9 -54.1 -31.7 45.8 -5.4 -9.2 21 24 A K G < S+ 0 0 148 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.511 88.6 129.7 -82.3 -7.2 47.7 -2.5 -10.8 22 25 A G < - 0 0 24 -3,-2.3 3,-0.5 -4,-0.3 171,-0.0 0.200 67.4-120.3 -46.1 167.4 49.2 -1.5 -7.4 23 26 A E S S+ 0 0 141 1,-0.2 -1,-0.1 169,-0.1 -3,-0.0 0.557 106.3 48.3 -87.4 -13.6 52.8 -0.8 -6.7 24 27 A N S S+ 0 0 56 168,-0.1 -1,-0.2 224,-0.1 -2,-0.1 -0.092 77.9 153.6-122.0 37.3 53.2 -3.5 -4.0 25 28 A Q - 0 0 2 -3,-0.5 220,-0.2 167,-0.2 170,-0.1 -0.202 33.8-104.0 -67.6 154.1 51.7 -6.5 -5.6 26 29 A S S S+ 0 0 0 168,-0.3 2,-0.2 218,-0.1 -2,-0.0 -0.886 78.1 47.8-124.4 156.8 52.5 -10.1 -4.7 27 30 A P + 0 0 0 0, 0.0 218,-3.0 0, 0.0 2,-0.3 0.582 64.7 176.4 -81.4-178.2 54.0 -12.6 -5.5 28 31 A I - 0 0 1 216,-0.3 77,-0.9 -2,-0.2 2,-0.3 -0.935 34.7 -99.1-142.4 163.6 57.5 -11.6 -6.5 29 32 A E E -a 105 0A 85 216,-0.4 2,-0.6 -2,-0.3 77,-0.2 -0.685 33.7-141.1 -85.5 139.7 60.6 -13.3 -7.7 30 33 A L E -a 106 0A 1 75,-3.1 77,-3.3 -2,-0.3 2,-0.7 -0.906 18.4-177.1-107.5 113.6 63.2 -13.8 -4.9 31 34 A H > - 0 0 60 -2,-0.6 3,-2.7 75,-0.2 75,-0.1 -0.910 16.3-154.5-111.7 104.1 66.9 -13.3 -6.0 32 35 A T G > S+ 0 0 23 -2,-0.7 3,-1.5 1,-0.3 -1,-0.1 0.761 91.4 63.5 -46.9 -32.4 69.2 -14.0 -3.0 33 36 A K G 3 S+ 0 0 123 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.689 106.1 44.7 -69.2 -19.0 71.9 -11.7 -4.5 34 37 A D G < S+ 0 0 129 -3,-2.7 2,-0.5 2,-0.0 -1,-0.3 0.084 96.9 92.5-111.2 21.5 69.6 -8.7 -4.2 35 38 A I < - 0 0 26 -3,-1.5 2,-0.3 216,-0.1 218,-0.2 -0.974 64.8-146.2-121.2 125.0 68.4 -9.6 -0.7 36 39 A R E -c 253 0B 143 216,-1.0 218,-2.2 -2,-0.5 2,-0.4 -0.698 16.1-123.2 -92.8 137.4 70.1 -8.2 2.4 37 40 A H E -c 254 0B 70 -2,-0.3 218,-0.2 216,-0.2 220,-0.1 -0.643 23.5-155.0 -75.4 128.3 70.5 -10.1 5.7 38 41 A D > - 0 0 24 216,-2.8 3,-1.9 -2,-0.4 -1,-0.0 -0.885 8.5-166.2-112.2 102.2 68.9 -8.0 8.4 39 42 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.622 86.8 64.0 -58.3 -17.3 70.5 -8.9 11.8 40 43 A S T 3 S+ 0 0 85 2,-0.1 2,-0.3 -3,-0.1 215,-0.1 0.709 75.0 107.7 -82.3 -20.0 67.7 -7.0 13.6 41 44 A L < - 0 0 21 -3,-1.9 -3,-0.0 213,-0.2 213,-0.0 -0.427 60.6-155.0 -61.5 117.1 65.1 -9.5 12.3 42 45 A Q - 0 0 122 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.1 -0.402 22.1 -85.4 -91.9 170.4 64.0 -11.6 15.2 43 46 A P - 0 0 105 0, 0.0 36,-2.0 0, 0.0 2,-0.4 -0.330 34.9-139.2 -72.6 155.9 62.5 -15.1 15.3 44 47 A W E -D 78 0B 8 34,-0.3 2,-0.3 141,-0.2 34,-0.2 -0.873 19.7-173.4-112.7 149.7 58.8 -15.8 14.8 45 48 A S E -D 77 0B 64 32,-2.3 32,-2.7 -2,-0.4 2,-0.3 -0.991 9.2-146.8-143.7 147.7 57.0 -18.4 16.9 46 49 A V E -D 76 0B 33 -2,-0.3 2,-0.3 30,-0.2 30,-0.2 -0.863 11.8-169.1-119.3 152.1 53.4 -19.7 16.8 47 50 A S E +D 75 0B 66 28,-2.6 28,-2.3 -2,-0.3 2,-0.2 -0.785 25.3 176.5-137.6 85.5 51.0 -21.0 19.4 48 51 A Y - 0 0 24 -2,-0.3 2,-0.6 26,-0.3 26,-0.2 -0.617 26.1-142.1 -94.2 154.7 48.1 -22.7 17.5 49 52 A D > - 0 0 61 -2,-0.2 3,-2.9 1,-0.1 4,-0.3 -0.960 4.1-156.8-117.4 108.8 45.2 -24.5 19.0 50 53 A G G > S+ 0 0 17 -2,-0.6 125,-1.3 1,-0.3 3,-1.1 0.744 94.4 65.4 -56.7 -22.5 44.3 -27.5 16.9 51 54 A G G 3 S+ 0 0 35 1,-0.2 -1,-0.3 123,-0.2 125,-0.1 0.542 86.9 73.0 -77.8 -3.5 40.8 -27.2 18.4 52 55 A S G < + 0 0 1 -3,-2.9 16,-2.4 123,-0.1 -1,-0.2 0.612 68.1 107.3 -85.5 -14.0 40.5 -23.9 16.6 53 56 A A E < +E 67 0B 5 -3,-1.1 121,-0.3 -4,-0.3 14,-0.2 -0.464 38.9 164.2 -66.3 135.3 40.1 -25.5 13.1 54 57 A K E + 0 0 100 12,-2.8 118,-2.2 1,-0.3 2,-0.3 0.768 46.3 9.4-116.5 -64.3 36.5 -25.1 11.9 55 58 A T E -EF 66 171B 39 11,-1.3 11,-3.2 116,-0.2 2,-0.4 -0.867 42.5-155.8-128.8 155.2 35.8 -25.7 8.2 56 59 A I E +EF 65 170B 1 114,-2.1 114,-2.2 -2,-0.3 2,-0.3 -0.999 29.9 171.2-124.1 133.3 37.4 -26.8 5.0 57 60 A L E -EF 64 169B 31 7,-2.5 7,-1.9 -2,-0.4 2,-0.4 -0.891 35.0-138.6-141.5 169.6 35.9 -25.6 1.7 58 61 A N E +EF 63 168B 1 110,-2.0 109,-3.0 -2,-0.3 110,-0.5 -0.964 18.0 174.4-129.1 106.6 36.2 -25.3 -2.1 59 62 A N - 0 0 52 3,-1.5 107,-0.1 -2,-0.4 4,-0.1 0.231 60.1-103.5 -98.3 13.2 35.3 -21.9 -3.4 60 63 A G S S+ 0 0 7 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.389 115.7 70.6 82.5 -4.5 36.4 -22.9 -6.9 61 64 A K S S- 0 0 35 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.636 115.5 -36.2-111.1 -28.1 39.7 -20.9 -6.5 62 65 A T - 0 0 9 31,-0.1 -3,-1.5 2,-0.0 -1,-0.6 -0.951 65.4 -86.9-177.6 178.9 41.4 -23.1 -4.0 63 66 A C E -E 58 0B 0 -2,-0.3 29,-0.7 29,-0.2 2,-0.4 -0.950 46.0-171.3-111.5 125.2 40.8 -25.3 -1.0 64 67 A R E -EG 57 91B 71 -7,-1.9 -7,-2.5 -2,-0.5 2,-0.5 -0.911 20.5-150.3-123.4 142.4 40.8 -23.4 2.3 65 68 A V E -EG 56 90B 0 25,-2.8 25,-1.9 -2,-0.4 2,-0.4 -0.950 20.9-151.6-107.5 127.9 40.7 -24.3 5.9 66 69 A V E -EG 55 89B 39 -11,-3.2 -12,-2.8 -2,-0.5 -11,-1.3 -0.820 9.4-162.5-103.7 136.9 39.0 -21.8 8.1 67 70 A F E -E 53 0B 2 21,-3.4 2,-0.9 -2,-0.4 -14,-0.2 -0.769 31.4 -96.9-114.4 162.9 39.9 -21.3 11.8 68 71 A D + 0 0 14 -16,-2.4 6,-0.3 -2,-0.3 3,-0.3 -0.673 43.5 166.1 -81.2 106.0 38.1 -19.6 14.7 69 72 A D + 0 0 23 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 -0.106 38.3 116.5-111.3 36.6 39.6 -16.1 14.9 70 73 A T S S- 0 0 96 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.589 91.2 -3.0 -77.2 -9.3 36.8 -14.7 17.2 71 74 A Y S S- 0 0 122 -3,-0.3 2,-1.5 3,-0.0 3,-0.4 -0.970 102.8 -60.8-168.7 168.8 39.5 -14.3 19.8 72 75 A D S S+ 0 0 86 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.437 77.7 124.3 -66.1 91.2 43.2 -14.9 20.4 73 76 A R S S+ 0 0 64 -2,-1.5 2,-0.7 1,-0.3 -1,-0.2 0.761 72.4 31.2-110.3 -56.1 43.4 -18.7 20.1 74 77 A S S S- 0 0 4 -3,-0.4 13,-2.4 -6,-0.3 2,-0.3 -0.920 83.6-172.8-111.7 105.8 46.0 -19.5 17.5 75 78 A M E -DH 47 86B 10 -28,-2.3 -28,-2.6 -2,-0.7 2,-0.5 -0.780 24.5-159.1-111.8 148.5 48.7 -16.8 17.5 76 79 A L E +DH 46 85B 0 9,-2.3 9,-2.5 -2,-0.3 2,-0.3 -0.978 27.3 168.4-116.4 124.2 51.7 -15.8 15.4 77 80 A R E +D 45 0B 86 -32,-2.7 -32,-2.3 -2,-0.5 2,-0.1 -0.883 32.3 28.0-135.0 167.9 54.2 -13.6 17.1 78 81 A G E > S+D 44 0B 21 -2,-0.3 3,-1.5 -34,-0.2 -34,-0.3 -0.402 71.9 84.8 84.2-160.8 57.7 -12.2 16.7 79 82 A G T 3 S- 0 0 3 -36,-2.0 -1,-0.1 1,-0.2 -37,-0.1 -0.144 112.6 -28.0 57.4-159.0 59.5 -11.6 13.4 80 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 -36,-0.0 0.310 107.9 116.2 -70.4 9.2 58.8 -8.2 11.6 81 84 A L < - 0 0 17 -3,-1.5 -3,-0.2 1,-0.1 4,-0.0 -0.592 63.6-142.9 -85.7 142.6 55.4 -8.0 13.3 82 85 A P S S- 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.682 80.1 -18.0 -74.0 -19.7 54.4 -5.2 15.8 83 86 A G S S- 0 0 23 -5,-0.1 2,-0.1 -7,-0.1 -7,-0.0 -0.942 95.4 -46.1-168.5-177.3 52.4 -7.6 17.9 84 87 A P - 0 0 61 0, 0.0 2,-0.4 0, 0.0 39,-0.3 -0.347 48.8-153.5 -68.5 145.2 50.6 -11.0 17.9 85 88 A Y E -H 76 0B 0 -9,-2.5 -9,-2.3 36,-0.2 2,-0.3 -0.940 13.2-122.9-121.3 144.3 48.3 -11.9 14.9 86 89 A R E -HI 75 120B 45 34,-2.5 34,-1.6 -2,-0.4 2,-0.4 -0.680 22.7-124.4 -87.4 136.3 45.3 -14.3 14.8 87 90 A L E + I 0 119B 2 -13,-2.4 32,-0.2 -2,-0.3 -13,-0.2 -0.655 35.5 168.1 -77.8 129.1 45.3 -17.2 12.4 88 91 A R E - 0 0 77 30,-2.9 -21,-3.4 1,-0.4 2,-0.3 0.749 55.0 -32.1-111.5 -41.5 42.2 -17.1 10.3 89 92 A Q E -GI 66 118B 14 29,-1.3 29,-3.1 -23,-0.3 -1,-0.4 -0.987 43.2-139.1-172.4 163.2 42.8 -19.6 7.5 90 93 A F E +GI 65 117B 2 -25,-1.9 -25,-2.8 -2,-0.3 2,-0.3 -0.975 23.2 168.7-134.9 149.4 45.2 -21.4 5.2 91 94 A H E -GI 64 116B 16 25,-1.7 25,-2.6 -2,-0.3 2,-0.3 -0.907 20.3-124.3-148.6 174.3 44.9 -22.3 1.6 92 95 A L E - I 0 115B 0 -29,-0.7 2,-0.3 -2,-0.3 -29,-0.2 -0.852 7.3-160.9-129.3 162.0 47.0 -23.6 -1.3 93 96 A H E + I 0 114B 0 21,-1.2 21,-2.4 -2,-0.3 2,-0.3 -0.980 24.7 164.4-133.9 139.3 48.1 -22.8 -4.8 94 97 A W E - I 0 113B 0 -2,-0.3 146,-1.2 19,-0.2 7,-0.2 -0.955 26.4-122.7-151.8 167.6 49.5 -25.4 -7.2 95 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.7 145,-0.0 -0.474 31.6-104.1-108.6-178.5 50.2 -26.1 -10.8 96 99 A S S S+ 0 0 63 -2,-0.2 2,-0.3 142,-0.1 5,-0.1 0.754 102.4 29.5 -78.4 -26.3 49.2 -28.8 -13.3 97 100 A S S > S- 0 0 43 3,-0.1 3,-1.6 15,-0.0 -2,-0.2 -0.919 87.7-106.3-132.4 161.0 52.5 -30.7 -13.2 98 101 A D T 3 S+ 0 0 56 -2,-0.3 48,-0.2 1,-0.3 14,-0.1 0.614 107.6 73.2 -60.0 -15.2 55.1 -31.2 -10.6 99 102 A D T 3 S+ 0 0 118 13,-0.1 11,-0.3 12,-0.1 2,-0.3 0.523 109.6 7.5 -81.1 -4.8 57.6 -28.9 -12.3 100 103 A H < + 0 0 28 -3,-1.6 -5,-0.7 12,-0.1 3,-0.1 -0.921 61.5 118.7-158.0-178.7 55.7 -25.7 -11.3 101 104 A G + 0 0 1 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.112 47.8 111.5 139.2 -28.2 52.9 -24.4 -9.1 102 105 A S - 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