==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-FEB-13 3W6I . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.TAKAOKA,Y.KIOI,A.MORITO,J.OTANI,K.ARITA,E.ASHIHARA,M.ARIYO . 512 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21345.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 22.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 4 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 . 0 0.0 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 . 51 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 6.6 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 6 0 0 2 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 4 2 0 2 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 . 4 6 2 2 2 2 0 2 2 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 2 0 0 0 0 0 0 0 0 0 2 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 5 A W 0 0 110 0, 0.0 2,-0.2 0, 0.0 7,-0.2 0.000 360.0 360.0 360.0 163.0 25.6 -11.6 -11.8 2 6 A G - 0 0 9 5,-2.6 10,-0.1 2,-0.2 58,-0.0 -0.766 360.0 -84.5-168.4-146.1 22.2 -10.7 -10.3 3 7 A Y S S+ 0 0 19 -2,-0.2 5,-0.2 5,-0.2 238,-0.1 0.307 83.8 106.5-131.0 2.9 19.7 -11.7 -7.6 4 8 A D S >> S- 0 0 86 3,-0.1 4,-0.9 4,-0.1 3,-0.6 -0.307 86.0-104.0 -74.6 168.0 17.8 -14.4 -9.5 5 9 A D T 34 S+ 0 0 151 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.821 120.8 54.1 -63.2 -31.5 18.3 -18.1 -8.6 6 10 A K T 34 S+ 0 0 166 1,-0.2 -1,-0.2 4,-0.0 0, 0.0 0.742 129.6 13.4 -76.8 -24.4 20.5 -18.6 -11.7 7 11 A N T <4 S+ 0 0 44 -3,-0.6 -5,-2.6 -6,-0.1 -2,-0.2 0.064 99.3 125.4-140.8 25.5 22.9 -15.8 -10.9 8 12 A G S >X S- 0 0 3 -4,-0.9 3,-2.2 -5,-0.2 4,-0.9 0.056 80.7 -71.7 -82.6-170.6 22.2 -14.9 -7.3 9 13 A P T 34 S+ 0 0 30 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.738 130.8 59.0 -53.8 -27.8 24.4 -14.6 -4.1 10 14 A E T 34 S+ 0 0 146 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.706 109.9 42.3 -75.7 -20.6 24.6 -18.4 -4.1 11 15 A Q T X> S+ 0 0 74 -3,-2.2 3,-1.5 1,-0.1 4,-0.5 0.503 89.7 89.3-102.1 -7.9 26.2 -18.3 -7.5 12 16 A W H >X S+ 0 0 3 -4,-0.9 4,-2.4 1,-0.3 3,-0.6 0.817 74.0 68.8 -62.0 -32.7 28.5 -15.3 -7.0 13 17 A S H 34 S+ 0 0 40 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.716 89.4 68.4 -60.9 -20.5 31.4 -17.5 -5.7 14 18 A K H <4 S+ 0 0 162 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.949 118.8 15.3 -63.7 -51.7 31.7 -18.9 -9.2 15 19 A L H << S+ 0 0 75 -3,-0.6 260,-0.3 -4,-0.5 -2,-0.2 0.553 136.0 45.2-100.8 -11.6 33.0 -15.7 -10.8 16 20 A Y >< + 0 0 51 -4,-2.4 3,-2.5 -5,-0.2 -1,-0.2 -0.672 61.0 177.5-135.4 79.4 33.9 -14.0 -7.6 17 21 A P G > S+ 0 0 34 0, 0.0 3,-1.7 0, 0.0 -4,-0.1 0.701 75.5 75.9 -54.2 -24.6 35.7 -16.4 -5.2 18 22 A I G > S+ 0 0 36 254,-0.3 3,-2.0 1,-0.3 5,-0.2 0.665 73.4 82.0 -65.0 -15.7 36.1 -13.6 -2.7 19 23 A A G < S+ 0 0 3 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.833 91.5 49.9 -56.9 -33.0 32.4 -14.2 -1.9 20 24 A N G < S+ 0 0 122 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.1 -0.075 94.4 126.5 -94.1 32.4 33.6 -17.0 0.3 21 25 A G S < S- 0 0 17 -3,-2.0 3,-0.3 1,-0.1 -3,-0.0 0.001 71.0-115.2 -81.1-171.8 36.1 -14.7 1.9 22 26 A N S S+ 0 0 96 1,-0.2 228,-0.2 170,-0.0 -1,-0.1 0.561 107.8 48.3-103.5 -13.3 36.8 -13.9 5.6 23 27 A N S S+ 0 0 60 -5,-0.2 2,-0.3 169,-0.1 -1,-0.2 -0.382 80.7 143.7-123.4 53.6 35.8 -10.2 5.5 24 28 A Q - 0 0 1 222,-0.4 221,-0.2 -3,-0.3 171,-0.1 -0.675 37.7-102.4-100.1 148.5 32.5 -10.3 3.7 25 29 A S S S+ 0 0 0 169,-0.4 2,-0.2 -2,-0.3 78,-0.1 -0.855 77.6 43.5-120.5 158.4 29.3 -8.2 4.2 26 30 A P + 0 0 0 0, 0.0 219,-2.6 0, 0.0 2,-0.3 0.565 67.6 174.0 -80.1-179.6 26.6 -8.0 5.3 27 31 A V - 0 0 1 217,-0.3 77,-1.4 -2,-0.2 2,-0.6 -0.931 36.6-101.1-142.9 165.6 26.8 -9.6 8.8 28 32 A D E -a 104 0A 29 217,-0.5 2,-0.8 -2,-0.3 77,-0.2 -0.829 32.2-145.8 -91.3 120.5 24.6 -10.1 11.9 29 33 A I E -a 105 0A 0 75,-3.5 77,-2.2 -2,-0.6 2,-0.8 -0.777 9.7-163.5 -89.8 108.2 25.5 -7.6 14.6 30 34 A K > - 0 0 90 -2,-0.8 3,-2.0 75,-0.2 4,-0.5 -0.825 6.6-156.5 -93.2 108.0 25.0 -9.2 18.0 31 35 A T G > S+ 0 0 58 -2,-0.8 3,-0.8 1,-0.3 -1,-0.2 0.777 89.5 60.8 -56.3 -32.0 24.9 -6.3 20.5 32 36 A S G 3 S+ 0 0 97 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.726 110.0 42.2 -68.9 -20.7 26.0 -8.5 23.4 33 37 A E G < S+ 0 0 122 -3,-2.0 2,-0.3 2,-0.1 219,-0.2 0.364 87.1 112.0-109.5 2.4 29.3 -9.3 21.6 34 38 A T < - 0 0 27 -3,-0.8 2,-0.6 -4,-0.5 219,-0.2 -0.597 60.9-138.4 -77.8 138.4 30.0 -5.7 20.3 35 39 A K E -c 253 0B 125 217,-1.5 219,-1.7 -2,-0.3 2,-0.2 -0.869 8.9-132.1-106.2 118.3 33.1 -4.1 21.9 36 40 A H E -c 254 0B 113 -2,-0.6 2,-0.5 217,-0.2 219,-0.2 -0.453 22.2-152.3 -64.2 130.9 33.0 -0.4 22.9 37 41 A D > - 0 0 36 217,-1.8 3,-0.8 -2,-0.2 -1,-0.0 -0.936 13.5-160.9-114.6 122.0 36.1 1.3 21.7 38 42 A T T 3 S+ 0 0 127 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.798 90.5 61.2 -67.7 -30.4 37.4 4.4 23.5 39 43 A S T 3 S+ 0 0 82 2,-0.1 -1,-0.2 40,-0.0 2,-0.1 0.716 78.9 110.0 -71.4 -20.9 39.5 5.6 20.5 40 44 A L < - 0 0 22 -3,-0.8 3,-0.1 214,-0.1 37,-0.0 -0.352 55.4-157.2 -61.4 126.8 36.3 5.9 18.4 41 45 A K E -D 78 0B 125 37,-1.8 37,-1.2 -2,-0.1 39,-0.1 -0.680 32.2 -82.0-100.2 159.0 35.5 9.6 17.6 42 46 A P E - 0 0 108 0, 0.0 36,-0.5 0, 0.0 2,-0.3 -0.247 50.3-104.8 -57.3 146.1 32.0 10.9 16.7 43 47 A I E - 0 0 16 142,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.576 36.6-164.3 -73.2 132.9 31.0 10.5 13.0 44 48 A S E +D 76 0B 62 32,-2.1 32,-3.4 -2,-0.3 2,-0.5 -0.957 9.2 179.7-126.1 115.0 31.2 13.8 11.1 45 49 A V E +D 75 0B 32 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.955 6.6 175.1-115.9 129.4 29.5 14.2 7.7 46 50 A S E +D 74 0B 79 28,-2.0 28,-1.6 -2,-0.5 2,-0.3 -0.852 12.7 178.7-133.1 98.5 29.6 17.5 5.7 47 51 A Y - 0 0 13 -2,-0.4 26,-0.2 26,-0.3 3,-0.1 -0.778 23.1-141.1-103.6 144.1 28.0 17.2 2.3 48 52 A N > - 0 0 60 -2,-0.3 3,-2.4 1,-0.1 4,-0.4 -0.912 8.4-148.6-102.3 119.7 27.6 19.9 -0.3 49 53 A P G > S+ 0 0 42 0, 0.0 126,-1.6 0, 0.0 3,-1.5 0.825 97.2 65.7 -55.2 -34.4 24.2 19.6 -2.1 50 54 A A G 3 S+ 0 0 54 1,-0.3 17,-0.1 124,-0.2 126,-0.1 0.630 88.1 71.7 -63.2 -13.1 25.8 21.0 -5.3 51 55 A T G < + 0 0 1 -3,-2.4 16,-2.6 124,-0.1 -1,-0.3 0.806 70.0 107.0 -73.9 -30.3 27.9 17.8 -5.3 52 56 A A E < +E 66 0B 3 -3,-1.5 122,-0.4 -4,-0.4 14,-0.2 -0.226 42.0 168.0 -50.8 134.3 24.8 15.7 -6.4 53 57 A K E - 0 0 83 12,-2.4 119,-2.2 1,-0.3 2,-0.3 0.780 43.1 -28.2-118.2 -62.6 25.3 14.8 -10.0 54 58 A E E -EF 65 171B 19 11,-1.1 11,-2.0 117,-0.3 2,-0.4 -0.969 41.1-124.7-157.8 166.4 22.9 12.1 -11.4 55 59 A I E -EF 64 170B 0 115,-3.2 115,-1.6 -2,-0.3 2,-0.4 -0.982 28.1-166.8-123.8 137.3 20.8 9.0 -10.8 56 60 A I E -EF 63 169B 2 7,-2.8 7,-2.4 -2,-0.4 2,-0.7 -0.970 21.6-139.3-132.4 136.1 21.2 5.8 -12.8 57 61 A N E +E 62 0B 1 111,-2.5 110,-3.0 -2,-0.4 5,-0.2 -0.837 21.8 179.2 -90.9 113.3 19.3 2.6 -13.2 58 62 A V - 0 0 36 3,-2.3 2,-2.0 -2,-0.7 4,-0.1 0.011 45.4-111.3-108.5 27.5 21.8 -0.3 -13.2 59 63 A G S S+ 0 0 7 2,-0.3 107,-0.1 167,-0.3 3,-0.1 -0.291 113.7 47.3 81.1 -55.3 19.5 -3.2 -13.6 60 64 A H S S- 0 0 41 -2,-2.0 2,-0.2 1,-0.1 -1,-0.2 0.613 131.7 -28.3 -93.0 -15.3 19.9 -4.7 -10.1 61 65 A S S S- 0 0 2 165,-0.1 -3,-2.3 166,-0.1 2,-0.3 -0.874 70.1 -90.8-170.0-163.3 19.4 -1.3 -8.4 62 66 A F E -E 57 0B 0 29,-0.2 29,-0.5 -2,-0.2 2,-0.4 -1.000 26.2-148.1-138.5 141.9 19.9 2.4 -8.9 63 67 A H E -E 56 0B 27 -7,-2.4 -7,-2.8 -2,-0.3 2,-0.7 -0.903 4.9-157.9-113.0 132.2 22.8 4.7 -8.0 64 68 A V E -EG 55 89B 0 25,-2.0 25,-1.7 -2,-0.4 -9,-0.2 -0.901 28.1-162.6-105.5 102.1 22.7 8.3 -6.9 65 69 A N E -EG 54 88B 23 -11,-2.0 -12,-2.4 -2,-0.7 -11,-1.1 -0.479 9.3-161.3 -93.5 156.5 26.2 9.6 -7.8 66 70 A F E -E 52 0B 6 21,-2.7 2,-0.6 -14,-0.2 -14,-0.2 -0.882 34.2 -89.2-131.1 159.3 28.1 12.7 -6.7 67 71 A E - 0 0 69 -16,-2.6 3,-0.3 -2,-0.3 6,-0.2 -0.591 35.9-177.0 -70.4 116.3 31.0 14.7 -7.8 68 72 A D + 0 0 44 -2,-0.6 -1,-0.1 1,-0.2 17,-0.1 -0.207 50.5 108.3-107.5 40.7 34.1 13.2 -6.3 69 73 A N S S+ 0 0 69 57,-0.0 2,-0.2 1,-0.0 -1,-0.2 0.824 86.2 5.2 -83.8 -34.9 36.6 15.8 -7.7 70 74 A D S > S- 0 0 64 -3,-0.3 3,-0.5 3,-0.0 2,-0.2 -0.738 86.2 -87.2-138.6-174.8 37.3 17.6 -4.4 71 75 A N T 3 S+ 0 0 82 -2,-0.2 3,-0.2 1,-0.2 -3,-0.1 -0.143 79.1 118.5 -95.0 39.3 36.5 17.4 -0.6 72 76 A R T 3 S+ 0 0 83 1,-0.3 2,-0.5 -2,-0.2 -1,-0.2 0.857 83.6 35.7 -68.9 -35.9 33.2 19.3 -0.7 73 77 A S S < S+ 0 0 3 -3,-0.5 13,-2.3 -6,-0.2 -1,-0.3 -0.910 86.7 155.7-122.3 103.1 31.4 16.3 0.6 74 78 A V E -DH 46 85B 12 -28,-1.6 -28,-2.0 -2,-0.5 2,-0.5 -0.805 37.6-133.9-128.8 165.1 33.5 14.3 3.1 75 79 A L E +DH 45 84B 0 9,-2.5 9,-2.2 -2,-0.3 -30,-0.2 -0.984 30.7 169.9-120.9 125.8 33.2 11.8 6.0 76 80 A K E +D 44 0B 103 -32,-3.4 -32,-2.1 -2,-0.5 7,-0.1 -0.649 36.3 29.8-122.8 179.7 35.3 12.3 9.1 77 81 A G E > S+ 0 0 13 3,-0.3 3,-1.5 -34,-0.2 -34,-0.3 -0.153 71.5 86.4 69.0-161.2 35.6 10.9 12.6 78 82 A G E 3 S-D 41 0B 3 -37,-1.2 -37,-1.8 -36,-0.5 -1,-0.1 -0.461 115.2 -25.7 68.6-137.7 34.7 7.3 13.7 79 83 A P T 3 S+ 0 0 42 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.353 115.4 107.9 -86.4 3.7 37.6 4.9 13.2 80 84 A F < + 0 0 14 -3,-1.5 -3,-0.3 1,-0.2 -39,-0.1 -0.679 38.7 172.8 -94.5 134.2 39.1 7.1 10.5 81 85 A S S S+ 0 0 113 -2,-0.4 -1,-0.2 -5,-0.1 2,-0.1 0.616 76.8 65.5 -97.5 -25.2 42.2 9.2 10.7 82 86 A D S S- 0 0 47 -5,-0.1 2,-0.5 -6,-0.1 -5,-0.1 -0.378 89.3-113.6 -88.3 170.5 41.8 9.9 7.0 83 87 A S - 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