==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-SEP-04 1XEV . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.A.MAZUMDAR,D.KUMARAN,A.K.DAS,S.SWAMINATHAN . 1034 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 623 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 226 21.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 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 . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 79 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 5.4 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 8 0 0 4 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 7 4 0 4 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 . 8 12 4 3 5 4 0 4 4 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 4 0 0 0 0 0 0 0 0 0 4 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 79 0, 0.0 3,-0.1 0, 0.0 412,-0.0 0.000 360.0 360.0 360.0 49.5 19.9 23.4 15.5 2 4 A H - 0 0 135 1,-0.2 2,-0.1 438,-0.0 435,-0.0 -0.050 360.0 -74.5 -66.1 175.9 18.5 20.5 17.5 3 5 A W + 0 0 72 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.378 68.5 133.1 -73.2 154.5 20.1 17.0 17.3 4 6 A G - 0 0 11 5,-2.3 10,-0.1 2,-0.1 -1,-0.1 -0.769 64.4 -80.0-166.6-147.3 19.5 14.9 14.2 5 7 A Y S S+ 0 0 40 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.162 82.9 109.3-126.7 16.9 21.2 12.7 11.6 6 8 A G S > S- 0 0 42 1,-0.1 4,-0.9 4,-0.1 3,-0.3 -0.098 84.3 -93.8 -83.6-173.9 22.8 15.3 9.3 7 9 A K T 4 S+ 0 0 183 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.732 122.2 37.6 -76.5 -20.3 26.4 16.3 8.8 8 10 A H T 4 S+ 0 0 53 1,-0.1 -1,-0.2 435,-0.0 405,-0.0 0.412 129.2 27.4-111.2 3.2 26.3 19.2 11.3 9 11 A N T 4 S+ 0 0 44 -3,-0.3 -5,-2.3 -6,-0.0 -2,-0.2 0.202 94.6 116.9-145.4 14.4 24.0 17.8 14.0 10 12 A G S >X S- 0 0 3 -4,-0.9 3,-3.0 -5,-0.2 4,-0.9 0.066 82.6 -58.7 -78.6-170.8 24.5 14.0 13.8 11 13 A P T 34 S+ 0 0 35 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.693 129.2 55.6 -38.1 -38.3 25.9 11.2 16.1 12 14 A E T 34 S+ 0 0 110 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.614 108.7 47.9 -79.3 -10.4 29.3 12.8 16.5 13 15 A H T X4 S+ 0 0 21 -3,-3.0 3,-1.6 1,-0.1 4,-0.4 0.630 84.9 89.9-100.9 -18.3 27.9 16.1 17.8 14 16 A W G >X S+ 0 0 5 -4,-0.9 4,-2.2 1,-0.3 3,-0.6 0.716 72.6 71.5 -53.0 -26.8 25.5 14.6 20.4 15 17 A H G 34 S+ 0 0 28 -4,-0.3 -1,-0.3 1,-0.2 6,-0.1 0.808 86.0 65.5 -64.9 -28.7 28.0 14.7 23.2 16 18 A K G <4 S+ 0 0 29 -3,-1.6 291,-0.4 1,-0.2 -1,-0.2 0.882 115.7 26.8 -61.1 -40.5 27.9 18.5 23.5 17 19 A D T <4 S+ 0 0 46 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.758 133.3 37.6 -91.2 -30.0 24.3 18.6 24.7 18 20 A F >< - 0 0 57 -4,-2.2 3,-2.4 1,-0.1 -1,-0.2 -0.755 64.1-175.7-127.0 84.9 24.3 15.1 26.2 19 21 A P G > S+ 0 0 97 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.722 78.5 74.5 -50.2 -27.0 27.7 14.3 27.9 20 22 A I G > S+ 0 0 57 1,-0.3 3,-1.9 179,-0.1 -5,-0.1 0.627 70.3 91.1 -66.6 -8.3 26.5 10.8 28.7 21 23 A A G < S+ 0 0 9 -3,-2.4 -1,-0.3 1,-0.3 -6,-0.1 0.739 88.5 46.5 -56.6 -25.8 27.1 10.1 25.0 22 24 A K G < S+ 0 0 153 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.1 -0.172 95.8 130.1-109.2 36.9 30.7 9.1 25.9 23 25 A G S < S- 0 0 16 -3,-1.9 3,-0.4 1,-0.0 -3,-0.0 -0.012 70.2 -99.2 -84.7-171.5 29.6 6.9 28.9 24 26 A E S S+ 0 0 36 1,-0.2 -1,-0.0 169,-0.0 -4,-0.0 0.601 111.2 33.4 -85.7 -17.8 30.3 3.3 30.2 25 27 A R S S+ 0 0 52 168,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.334 79.4 152.6-139.1 61.1 27.1 1.5 28.9 26 28 A Q - 0 0 4 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.522 34.4 -92.1 -91.8 155.6 26.1 3.0 25.6 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.1 -2,-0.2 -2,-0.0 -0.901 76.5 31.4-126.6 154.8 24.2 1.4 22.7 28 30 A P + 0 0 0 0, 0.0 218,-2.4 0, 0.0 2,-0.3 0.512 61.7 170.0 -86.0-168.3 24.3 -0.1 20.1 29 31 A V - 0 0 2 216,-0.3 77,-1.2 -2,-0.1 2,-0.3 -0.943 35.9 -96.4-152.2 168.8 27.3 -2.4 19.8 30 32 A D E -a 106 0A 22 216,-0.3 2,-0.8 -2,-0.3 77,-0.2 -0.722 30.6-135.1 -92.8 144.3 28.7 -5.2 17.5 31 33 A I E -a 107 0A 2 75,-2.5 77,-1.6 -2,-0.3 2,-1.0 -0.860 13.1-159.6-102.2 100.7 28.0 -8.8 18.5 32 34 A D >> - 0 0 64 -2,-0.8 3,-1.3 75,-0.2 4,-0.9 -0.718 3.2-159.3 -83.4 106.3 31.3 -10.8 18.1 33 35 A T T 34 S+ 0 0 77 -2,-1.0 -1,-0.2 1,-0.3 74,-0.0 0.601 88.6 60.2 -61.7 -12.2 29.9 -14.3 17.8 34 36 A H T 34 S+ 0 0 170 1,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.788 113.9 33.9 -85.3 -29.5 33.4 -15.7 18.8 35 37 A T T <4 S+ 0 0 94 -3,-1.3 2,-1.0 2,-0.1 218,-0.2 0.359 89.4 101.2-107.9 3.0 33.3 -13.9 22.1 36 38 A A < - 0 0 18 -4,-0.9 2,-0.2 216,-0.1 218,-0.2 -0.796 68.4-142.3 -93.5 102.9 29.6 -14.0 23.1 37 39 A K E -c 254 0B 157 -2,-1.0 218,-2.5 216,-0.6 2,-0.3 -0.400 8.3-122.5 -72.6 134.7 29.4 -16.8 25.6 38 40 A Y E -c 255 0B 100 216,-0.2 218,-0.2 -2,-0.2 -1,-0.1 -0.543 27.1-153.9 -69.9 130.9 26.5 -19.3 25.9 39 41 A D > - 0 0 36 216,-2.5 3,-1.8 -2,-0.3 -1,-0.1 -0.913 9.9-160.5-116.7 105.2 25.2 -19.0 29.5 40 42 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.563 88.1 62.4 -57.5 -11.7 23.5 -22.3 30.8 41 43 A S T 3 S+ 0 0 61 2,-0.1 2,-0.1 520,-0.0 215,-0.1 0.612 74.7 109.6 -93.8 -13.2 21.7 -20.3 33.4 42 44 A L < - 0 0 37 -3,-1.8 38,-0.1 213,-0.2 213,-0.0 -0.388 60.7-138.9 -65.6 138.6 19.6 -18.0 31.1 43 45 A K - 0 0 137 37,-0.9 -1,-0.1 1,-0.1 39,-0.1 -0.491 26.5 -82.5 -97.4 165.9 15.9 -18.7 31.1 44 46 A P - 0 0 113 0, 0.0 36,-2.4 0, 0.0 2,-0.2 -0.359 47.0-113.9 -65.8 145.6 13.4 -18.8 28.2 45 47 A L E -D 79 0B 17 34,-0.2 2,-0.5 141,-0.2 34,-0.2 -0.549 23.6-150.0 -80.3 144.1 11.9 -15.5 27.1 46 48 A S E +D 78 0B 34 32,-2.3 32,-2.0 -2,-0.2 2,-0.5 -0.967 15.7 179.2-121.1 116.7 8.2 -15.0 27.6 47 49 A V E -D 77 0B 35 -2,-0.5 2,-0.5 30,-0.2 30,-0.2 -0.973 3.1-178.7-118.8 118.7 6.3 -12.7 25.2 48 50 A S E +D 76 0B 35 28,-2.3 28,-1.4 -2,-0.5 3,-0.2 -0.805 23.7 142.6-121.4 91.6 2.5 -12.1 25.7 49 51 A Y > + 0 0 3 -2,-0.5 3,-1.7 26,-0.2 130,-0.2 0.263 36.9 107.1-110.0 11.0 1.0 -9.9 23.0 50 52 A D T 3 S+ 0 0 99 1,-0.3 -1,-0.1 24,-0.1 25,-0.1 0.836 86.6 41.6 -61.0 -31.9 -2.4 -11.6 22.6 51 53 A Q T 3 S+ 0 0 124 23,-0.3 -1,-0.3 -3,-0.2 24,-0.2 0.134 82.9 147.0-100.3 20.4 -4.3 -8.8 24.4 52 54 A A < - 0 0 21 -3,-1.7 2,-0.6 22,-0.2 -3,-0.1 -0.355 31.1-161.7 -61.2 129.7 -2.3 -5.9 22.7 53 55 A T - 0 0 51 16,-0.3 16,-2.7 -2,-0.1 2,-0.2 -0.910 4.2-162.5-120.5 103.8 -4.4 -2.8 22.2 54 56 A S E +E 68 0B 2 -2,-0.6 121,-0.6 14,-0.2 14,-0.2 -0.526 15.0 171.6 -85.6 152.6 -3.0 -0.2 19.7 55 57 A L E + 0 0 80 12,-2.6 118,-1.9 1,-0.3 2,-0.3 0.691 52.3 1.3-126.7 -44.7 -4.2 3.4 19.5 56 58 A R E -EF 67 172B 79 11,-1.2 11,-2.5 116,-0.2 2,-0.4 -0.983 42.1-143.3-153.9 162.6 -2.1 5.6 17.2 57 59 A I E +EF 66 171B 0 114,-1.9 114,-1.6 -2,-0.3 2,-0.3 -0.954 29.3 177.7-124.2 143.7 0.7 6.1 14.7 58 60 A L E -EF 65 170B 35 7,-1.6 7,-1.8 -2,-0.4 2,-0.6 -0.999 31.9-136.1-152.7 152.5 2.9 9.2 14.5 59 61 A N E +E 64 0B 1 110,-1.9 109,-1.7 -2,-0.3 5,-0.2 -0.939 20.9 178.9-105.0 118.9 5.8 10.9 12.8 60 62 A N - 0 0 44 3,-1.9 4,-0.1 -2,-0.6 -1,-0.1 0.406 57.3 -93.3-102.8 1.6 8.0 12.6 15.5 61 63 A G S S+ 0 0 15 2,-0.6 3,-0.1 166,-0.2 106,-0.1 0.291 119.1 45.3 106.4 -10.9 10.7 14.0 13.2 62 64 A H S S- 0 0 50 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.383 123.7 -19.7-142.3 -0.5 13.1 11.2 13.4 63 65 A A - 0 0 4 165,-0.1 -3,-1.9 31,-0.1 -2,-0.6 -0.940 70.0 -93.5 177.0-175.2 11.0 8.0 13.0 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.4 -5,-0.2 2,-0.4 -0.996 31.9-156.6-127.2 131.6 7.4 6.8 13.4 65 67 A N E -E 58 0B 22 -7,-1.8 -7,-1.6 -2,-0.4 2,-0.7 -0.881 10.7-150.6-109.8 139.6 5.9 5.3 16.6 66 68 A V E -EG 57 91B 0 25,-1.9 25,-1.0 -2,-0.4 2,-0.3 -0.933 26.7-149.6-106.0 109.4 2.9 3.0 17.0 67 69 A E E -EG 56 90B 65 -11,-2.5 -12,-2.6 -2,-0.7 -11,-1.2 -0.615 10.5-159.9 -86.8 140.0 1.5 3.7 20.5 68 70 A F E -E 54 0B 11 21,-2.2 2,-0.6 -2,-0.3 -14,-0.2 -0.732 28.2-101.4-114.9 163.7 -0.2 1.2 22.7 69 71 A D + 0 0 50 -16,-2.7 -16,-0.3 -2,-0.2 3,-0.2 -0.748 39.3 175.0 -82.2 119.2 -2.6 1.3 25.6 70 72 A D + 0 0 48 -2,-0.6 -1,-0.1 1,-0.1 17,-0.1 0.095 43.3 108.3-118.3 26.5 -0.5 0.6 28.8 71 73 A S S S+ 0 0 72 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.655 86.3 26.5 -74.9 -17.4 -3.0 1.1 31.7 72 74 A Q S S- 0 0 128 -3,-0.2 2,-2.4 3,-0.0 3,-0.2 -0.863 99.2 -85.1-137.9 171.0 -3.1 -2.6 32.4 73 75 A D S S+ 0 0 90 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.369 76.8 129.3 -78.0 63.9 -1.0 -5.7 32.0 74 76 A K S S+ 0 0 52 -2,-2.4 2,-0.8 1,-0.3 -23,-0.3 0.919 72.2 24.1 -77.2 -84.2 -2.1 -6.4 28.4 75 77 A A S S+ 0 0 8 -3,-0.2 13,-2.3 -24,-0.2 2,-0.3 -0.738 84.6 169.5 -86.9 110.0 1.1 -6.8 26.5 76 78 A V E -DH 48 87B 12 -28,-1.4 -28,-2.3 -2,-0.8 2,-0.4 -0.911 26.7-154.3-127.4 153.7 3.9 -7.9 28.8 77 79 A L E +DH 47 86B 0 9,-2.4 9,-2.5 -2,-0.3 2,-0.3 -0.982 30.8 142.3-123.6 132.6 7.5 -9.2 28.6 78 80 A K E +D 46 0B 82 -32,-2.0 -32,-2.3 -2,-0.4 7,-0.1 -0.889 33.3 46.6-153.9-177.0 9.0 -11.3 31.3 79 81 A G E > S+D 45 0B 30 5,-0.4 3,-2.1 -2,-0.3 -34,-0.2 -0.344 71.9 81.9 74.0-156.8 11.4 -14.3 31.9 80 82 A G T 3 S- 0 0 6 -36,-2.4 -37,-0.9 1,-0.3 -1,-0.1 -0.381 119.1 -20.3 59.7-127.3 14.7 -14.6 30.1 81 83 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.374 115.2 106.2 -93.7 3.7 17.4 -12.4 31.9 82 84 A L < - 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