==== 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(OXO-ACID) 28-OCT-93 1HUG . COMPND 2 MOLECULE: CARBONIC ANHYDRASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.KUMAR,K.K.KANNAN . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 62.5 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 . 59 23.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 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 2 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 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 . 1 4 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 5 A W 0 0 110 0, 0.0 2,-0.2 0, 0.0 7,-0.2 0.000 360.0 360.0 360.0 140.3 42.7 25.5 -25.4 2 6 A G - 0 0 12 5,-2.5 10,-0.1 2,-0.2 238,-0.1 -0.783 360.0 -88.5-161.8-153.6 45.1 24.3 -22.6 3 7 A Y S S+ 0 0 22 -2,-0.2 5,-0.2 5,-0.2 238,-0.1 0.293 85.4 104.1-118.7 7.0 46.1 25.4 -19.2 4 8 A D S > S- 0 0 97 4,-0.1 4,-2.6 5,-0.1 3,-0.4 -0.138 87.1 -96.5 -86.0 173.8 49.0 27.9 -20.0 5 9 A D T 4 S+ 0 0 172 1,-0.2 3,-0.1 2,-0.2 -1,-0.0 0.910 122.6 51.4 -54.6 -46.0 49.0 31.7 -20.1 6 10 A K T 4 S+ 0 0 183 1,-0.2 -1,-0.2 4,-0.0 -3,-0.0 0.753 133.6 5.0 -66.0 -34.8 48.4 31.7 -23.8 7 11 A N T 4 S+ 0 0 61 -3,-0.4 -5,-2.5 -6,-0.1 -2,-0.2 0.238 98.9 119.5-143.3 19.0 45.3 29.4 -23.8 8 12 A G S >X S- 0 0 3 -4,-2.6 3,-2.3 -7,-0.2 4,-0.7 0.060 83.7 -61.6 -76.5-178.2 44.5 28.7 -20.2 9 13 A P G >4 S+ 0 0 27 0, 0.0 3,-0.5 0, 0.0 4,-0.5 0.738 128.6 59.8 -39.5 -40.1 41.3 29.3 -18.2 10 14 A E G 34 S+ 0 0 151 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.740 110.6 40.9 -69.7 -17.7 41.6 33.1 -18.5 11 15 A Q G X> S+ 0 0 63 -3,-2.3 3,-0.9 2,-0.1 4,-0.6 0.525 86.2 93.3 -97.6 -21.6 41.3 33.0 -22.3 12 16 A W H XX S+ 0 0 4 -4,-0.7 4,-3.6 -3,-0.5 3,-0.9 0.784 81.0 60.2 -51.5 -33.8 38.7 30.3 -22.7 13 17 A S H 34 S+ 0 0 36 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.943 89.2 68.6 -63.0 -42.7 36.0 32.9 -22.8 14 18 A K H <4 S+ 0 0 168 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.855 122.6 18.3 -44.4 -30.8 37.6 34.4 -25.9 15 19 A L H << S+ 0 0 128 -3,-0.9 -2,-0.3 -4,-0.6 -1,-0.2 0.667 131.0 39.6-111.3 -30.5 36.4 31.1 -27.5 16 20 A Y >< - 0 0 71 -4,-3.6 3,-3.7 -5,-0.1 4,-0.2 -0.789 61.2-171.8-128.0 84.0 33.7 29.5 -25.3 17 21 A P G > S+ 0 0 101 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.730 80.6 75.2 -47.6 -28.2 31.5 32.4 -24.1 18 22 A I G > S+ 0 0 69 1,-0.3 3,-3.4 2,-0.2 5,-0.2 0.745 73.9 83.6 -59.2 -21.5 29.8 29.8 -21.8 19 23 A A G < S+ 0 0 5 -3,-3.7 -1,-0.3 1,-0.3 -6,-0.1 0.797 91.9 46.7 -53.0 -23.8 32.9 30.1 -19.8 20 24 A N G < S+ 0 0 112 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.042 92.9 130.6-105.7 23.8 31.3 33.3 -18.2 21 25 A G S < S- 0 0 14 -3,-3.4 3,-0.4 1,-0.1 -3,-0.0 0.126 70.4-112.5 -70.2-179.7 28.0 31.5 -17.7 22 26 A N S S+ 0 0 97 1,-0.2 228,-0.2 170,-0.0 -1,-0.1 0.537 111.7 48.8 -96.4 -3.3 25.8 31.3 -14.5 23 27 A N S S+ 0 0 55 -5,-0.2 -1,-0.2 2,-0.0 2,-0.2 -0.315 77.9 146.5-127.4 43.1 26.4 27.6 -13.9 24 28 A Q - 0 0 1 -3,-0.4 221,-0.2 222,-0.4 171,-0.1 -0.509 37.6-108.8 -85.6 147.9 30.2 27.3 -14.3 25 29 A S S S+ 0 0 0 169,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.852 77.2 45.1-117.4 157.9 32.4 24.8 -12.3 26 30 A P + 0 0 0 0, 0.0 219,-2.5 0, 0.0 2,-0.3 0.665 67.2 175.6 -82.6 179.4 34.4 24.4 -10.1 27 31 A V - 0 0 0 217,-0.3 77,-1.2 -2,-0.2 2,-0.5 -0.900 36.0-100.8-140.7 164.0 33.1 26.6 -7.2 28 32 A D E -a 104 0A 23 217,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.849 31.8-140.3 -92.8 130.1 34.2 27.2 -3.7 29 33 A I E -a 105 0A 0 75,-2.9 77,-3.2 -2,-0.5 2,-0.9 -0.830 11.8-164.0 -93.6 107.6 32.0 25.3 -1.2 30 34 A K > - 0 0 86 -2,-0.8 3,-1.7 75,-0.2 222,-0.1 -0.889 5.7-159.4 -95.3 102.1 31.4 27.5 1.8 31 35 A T G > S+ 0 0 53 -2,-0.9 3,-0.8 1,-0.3 -1,-0.2 0.698 85.7 65.4 -59.9 -23.2 30.2 25.0 4.3 32 36 A S G 3 S+ 0 0 106 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.727 108.4 42.1 -73.4 -18.1 28.4 27.6 6.5 33 37 A E G < S+ 0 0 127 -3,-1.7 219,-0.3 2,-0.1 -1,-0.2 0.212 82.0 114.4-111.3 11.0 26.1 28.2 3.5 34 38 A T < - 0 0 34 -3,-0.8 2,-0.5 -4,-0.1 219,-0.3 -0.444 62.4-127.4 -78.0 157.3 25.2 24.8 2.2 35 39 A K E -c 253 0B 129 217,-2.6 219,-1.7 -2,-0.1 2,-0.4 -0.955 11.8-129.4-110.7 126.8 21.5 23.7 2.6 36 40 A H E -c 254 0B 113 -2,-0.5 2,-0.5 217,-0.2 219,-0.2 -0.649 24.6-164.1 -74.0 122.2 20.5 20.4 4.2 37 41 A D > - 0 0 40 217,-2.1 3,-0.9 -2,-0.4 -2,-0.0 -0.982 13.2-164.4-112.8 117.0 18.1 18.7 1.9 38 42 A T T 3 S+ 0 0 131 -2,-0.5 -1,-0.1 1,-0.2 217,-0.0 0.497 85.5 67.4 -78.9 -4.9 16.1 15.8 3.4 39 43 A S T 3 S+ 0 0 81 2,-0.1 -1,-0.2 40,-0.0 2,-0.1 0.683 74.3 110.6 -84.2 -19.9 15.1 14.4 -0.0 40 44 A L < - 0 0 22 -3,-0.9 3,-0.0 214,-0.2 38,-0.0 -0.333 56.5-156.3 -59.5 130.3 18.7 13.4 -0.8 41 45 A K E -D 78 0B 110 37,-1.9 37,-0.5 1,-0.1 39,-0.1 -0.677 30.6 -86.7-103.0 160.8 19.1 9.7 -0.9 42 46 A P E - 0 0 105 0, 0.0 36,-0.6 0, 0.0 2,-0.3 -0.397 47.9-110.5 -61.8 144.4 22.4 7.9 -0.3 43 47 A I E -D 77 0B 15 142,-0.4 2,-0.5 34,-0.3 34,-0.2 -0.526 32.5-161.0 -79.8 142.0 24.5 7.5 -3.4 44 48 A S E -D 76 0B 48 32,-3.6 32,-2.5 -2,-0.3 2,-0.4 -0.967 5.7-169.6-126.1 122.0 24.7 3.9 -4.6 45 49 A V E +D 75 0B 39 -2,-0.5 2,-0.3 30,-0.2 30,-0.2 -0.922 9.7 175.9-113.1 134.7 27.4 2.7 -7.0 46 50 A S E +D 74 0B 73 28,-2.1 28,-2.4 -2,-0.4 2,-0.4 -0.862 14.6 171.9-136.5 94.2 27.4 -0.7 -8.7 47 51 A Y - 0 0 15 -2,-0.3 26,-0.2 26,-0.3 129,-0.1 -0.867 25.2-143.5-108.2 145.0 30.3 -1.0 -11.1 48 52 A N > - 0 0 62 -2,-0.4 3,-2.4 1,-0.1 4,-0.2 -0.962 8.4-146.7-107.8 120.9 31.3 -4.1 -12.9 49 53 A P G > S+ 0 0 51 0, 0.0 3,-2.1 0, 0.0 126,-1.6 0.742 95.6 70.2 -58.3 -25.3 35.1 -4.5 -13.3 50 54 A A G 3 S+ 0 0 49 1,-0.3 17,-0.1 124,-0.2 126,-0.1 0.651 86.9 67.7 -65.8 -14.1 34.6 -6.2 -16.7 51 55 A T G < S+ 0 0 1 -3,-2.4 16,-2.5 124,-0.1 -1,-0.3 0.631 71.7 110.3 -81.9 -15.2 33.5 -2.8 -18.0 52 56 A A E < +E 66 0B 3 -3,-2.1 122,-0.4 14,-0.2 14,-0.2 -0.419 39.1 161.6 -61.9 136.4 37.0 -1.4 -17.7 53 57 A K E - 0 0 89 12,-2.4 119,-1.8 1,-0.3 2,-0.3 0.705 41.9 -11.3-122.4 -62.3 38.3 -0.9 -21.2 54 58 A E E -EF 65 171B 31 11,-1.7 11,-2.9 117,-0.3 2,-0.4 -0.986 37.8-139.2-151.0 163.7 41.3 1.5 -21.9 55 59 A I E -EF 64 170B 0 115,-2.8 115,-2.1 -2,-0.3 2,-0.4 -0.961 30.5-177.5-121.1 132.6 43.6 4.2 -20.6 56 60 A I E -EF 63 169B 35 7,-2.4 7,-2.4 -2,-0.4 2,-0.7 -0.991 29.6-132.6-142.5 140.8 44.6 7.1 -22.9 57 61 A N E +E 62 0B 1 111,-2.5 110,-2.6 -2,-0.4 5,-0.2 -0.825 22.2 179.5 -85.4 112.7 46.8 10.2 -22.9 58 62 A V - 0 0 42 3,-2.4 2,-1.3 -2,-0.7 4,-0.2 0.044 46.4-113.1-102.1 17.5 44.6 13.1 -24.2 59 63 A G S S+ 0 0 4 2,-0.4 107,-0.1 167,-0.3 3,-0.1 -0.344 111.3 49.7 88.8 -56.3 47.4 15.7 -23.9 60 64 A H S S- 0 0 44 -2,-1.3 2,-0.3 1,-0.1 -1,-0.2 0.550 131.9 -21.1 -91.4 -9.6 46.0 17.9 -21.1 61 65 A S S S- 0 0 3 31,-0.1 -3,-2.4 166,-0.0 -2,-0.4 -0.907 70.2 -98.1-172.1-170.1 45.3 14.8 -19.0 62 66 A F E -E 57 0B 0 -2,-0.3 29,-0.5 -5,-0.2 2,-0.4 -0.993 30.0-154.0-131.4 140.8 44.8 11.0 -19.1 63 67 A H E -E 56 0B 25 -7,-2.4 -7,-2.4 -2,-0.4 2,-0.6 -0.965 11.1-149.0-119.4 140.7 41.4 9.2 -19.1 64 68 A V E -EG 55 89B 0 25,-2.4 25,-1.9 -2,-0.4 2,-0.3 -0.945 28.9-156.5-103.3 112.6 40.4 5.7 -18.0 65 69 A N E -EG 54 88B 30 -11,-2.9 -12,-2.4 -2,-0.6 -11,-1.7 -0.692 9.3-161.3-100.4 144.3 37.4 4.7 -20.2 66 70 A F E -E 52 0B 8 21,-1.8 2,-0.3 -2,-0.3 -14,-0.2 -0.868 31.2-102.6-120.0 149.7 34.7 2.1 -19.6 67 71 A E - 0 0 70 -16,-2.5 6,-0.2 -2,-0.3 3,-0.2 -0.577 36.2-177.9 -68.5 125.7 32.3 0.3 -22.0 68 72 A D + 0 0 50 -2,-0.3 59,-0.1 1,-0.1 -1,-0.1 -0.302 44.4 114.4-128.6 47.9 28.9 2.1 -21.6 69 73 A N S S+ 0 0 112 57,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.424 83.8 11.6 -97.9 -4.6 26.8 0.0 -23.9 70 74 A D S S- 0 0 57 -3,-0.2 3,-0.5 3,-0.1 51,-0.0 -0.899 89.0 -87.7-155.0-175.5 24.5 -1.2 -21.0 71 75 A N S S+ 0 0 68 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.048 80.0 118.2 -97.1 31.5 23.7 -0.7 -17.4 72 76 A R S S+ 0 0 77 1,-0.2 2,-0.5 -5,-0.1 -1,-0.2 0.855 82.0 35.8 -62.1 -41.5 26.4 -3.0 -16.0 73 77 A S S S+ 0 0 4 -3,-0.5 13,-1.8 -26,-0.2 2,-0.3 -0.970 84.6 157.2-121.2 113.0 28.1 -0.0 -14.2 74 78 A V E -DH 46 85B 15 -28,-2.4 -28,-2.1 -2,-0.5 2,-0.4 -0.935 37.4-140.6-140.2 157.1 25.7 2.7 -12.8 75 79 A L E +DH 45 84B 0 9,-2.9 9,-2.5 -2,-0.3 2,-0.3 -0.967 31.8 162.9-113.0 132.2 25.3 5.4 -10.3 76 80 A K E +D 44 0B 104 -32,-2.5 -32,-3.6 -2,-0.4 2,-0.2 -0.929 37.7 39.1-144.2 166.6 21.9 5.7 -8.5 77 81 A G E > S+D 43 0B 6 -2,-0.3 3,-1.9 3,-0.2 -34,-0.3 -0.632 71.3 87.8 92.4-154.5 20.6 7.5 -5.4 78 82 A G E 3 S-D 41 0B 3 -36,-0.6 -37,-1.9 -37,-0.5 -1,-0.1 -0.349 117.3 -25.8 58.7-138.7 21.7 11.0 -4.3 79 83 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.461 115.9 107.0 -83.9 -3.7 19.6 13.6 -6.0 80 84 A F < - 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I 0 115B 16 25,-2.0 25,-2.6 -2,-0.3 2,-0.3 -0.925 27.0-122.0-161.2 170.4 40.3 11.1 -14.6 91 95 A F E - I 0 114B 0 -29,-0.5 2,-0.3 -2,-0.3 23,-0.2 -0.814 5.2-152.1-122.6 159.7 42.3 13.4 -12.3 92 96 A H E + I 0 113B 4 21,-1.8 21,-2.0 -2,-0.3 2,-0.3 -0.960 24.9 164.3-126.7 138.4 43.1 17.1 -11.9 93 97 A W E - I 0 112B 0 -2,-0.3 147,-2.5 19,-0.2 148,-0.3 -0.909 23.5-133.6-146.4 170.1 46.5 18.3 -10.3 94 98 A G - 0 0 1 17,-0.6 6,-0.1 2,-0.5 145,-0.1 -0.677 37.4 -93.1-122.7 177.7 48.5 21.6 -10.1 95 99 A S S S+ 0 0 60 -2,-0.2 2,-0.3 4,-0.1 5,-0.1 0.716 112.2 51.9 -64.6 -21.4 52.1 22.5 -10.6 96 100 A T S S- 0 0 60 3,-0.6 -2,-0.5 15,-0.1 3,-0.1 -0.867 83.5-128.6-115.4 151.5 52.7 22.1 -6.8 97 101 A N S S+ 0 0 33 -2,-0.3 49,-0.2 1,-0.2 3,-0.2 0.569 106.0 55.1 -71.0 -16.3 51.7 19.1 -4.6 98 102 A E S S+ 0 0 103 1,-0.2 2,-0.5 47,-0.1 -1,-0.2 0.815 110.2 36.7 -92.1 -38.2 49.9 21.3 -2.2 99 103 A H S S+ 0 0 110 12,-0.1 -3,-0.6 1,-0.1 12,-0.3 -0.893 73.2 105.1-123.9 104.9 47.5 23.2 -4.5 100 104 A G + 0 0 0 10,-3.5 13,-0.3 -2,-0.5 11,-0.3 0.415 39.5 111.1-154.7 6.6 45.8 21.3 -7.4 101 105 A S - 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