==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 22-MAR-13 4JSA . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.P.MARTIN,Z.S.HANN,S.M.COHEN . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.4 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 . 59 23.0 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 . 1 0.4 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 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.2 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 2 2 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 4 A H 0 0 207 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.1 30.7 0.4 8.6 2 5 A W + 0 0 42 1,-0.1 2,-0.2 2,-0.1 7,-0.2 -0.379 360.0 134.7 -80.5 156.9 28.6 -1.4 11.1 3 6 A G - 0 0 6 5,-2.7 10,-0.1 2,-0.2 58,-0.1 -0.762 62.3 -76.8-161.2-140.9 26.3 -4.3 10.3 4 7 A Y S S+ 0 0 32 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.305 83.1 107.3-123.5 10.7 25.3 -7.8 11.5 5 8 A G S > S- 0 0 40 4,-0.1 4,-1.5 1,-0.1 3,-0.4 -0.160 85.3 -96.3 -84.5 179.8 28.1 -9.9 10.4 6 9 A K T 4 S+ 0 0 173 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.859 123.6 43.6 -61.5 -34.5 31.0 -11.6 12.3 7 10 A H T 4 S+ 0 0 152 1,-0.2 -1,-0.2 4,-0.0 -3,-0.0 0.645 131.3 15.4 -91.3 -19.0 33.2 -8.7 11.4 8 11 A N T 4 S+ 0 0 60 -3,-0.4 -5,-2.7 -6,-0.0 -2,-0.2 0.165 96.9 118.7-142.0 16.7 31.0 -5.7 12.0 9 12 A G S >X S- 0 0 2 -4,-1.5 3,-2.8 -5,-0.2 4,-1.0 0.105 82.9 -62.3 -82.9-167.1 28.1 -7.0 14.1 10 13 A P T 34 S+ 0 0 26 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.759 128.6 58.7 -49.4 -33.5 26.8 -6.2 17.6 11 14 A E T 34 S+ 0 0 146 1,-0.2 -5,-0.1 2,-0.1 -2,-0.0 0.644 110.6 44.2 -78.3 -8.0 30.0 -7.3 19.4 12 15 A H T X4 S+ 0 0 61 -3,-2.8 3,-1.9 1,-0.1 4,-0.4 0.585 88.2 87.8 -97.8 -18.6 32.0 -4.8 17.4 13 16 A W G >X S+ 0 0 5 -4,-1.0 4,-2.0 1,-0.3 3,-1.0 0.782 73.9 69.5 -60.1 -28.4 29.7 -1.8 17.6 14 17 A H G 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.744 86.5 68.5 -60.5 -25.7 31.0 -0.5 20.9 15 18 A K G <4 S+ 0 0 129 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.899 116.8 22.6 -66.4 -32.4 34.3 0.5 19.3 16 19 A D T <4 S+ 0 0 130 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.2 0.605 135.0 37.7-104.0 -15.9 32.6 3.3 17.3 17 20 A F >< - 0 0 49 -4,-2.0 3,-2.8 1,-0.1 -1,-0.2 -0.778 66.6-177.9-135.6 78.8 29.5 3.8 19.5 18 21 A P G > S+ 0 0 99 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.758 76.1 76.5 -58.8 -21.1 30.8 3.4 23.1 19 22 A I G > S+ 0 0 55 1,-0.3 3,-2.6 179,-0.2 5,-0.2 0.684 70.2 89.2 -63.3 -11.3 27.2 3.9 24.4 20 23 A A G < S+ 0 0 6 -3,-2.8 -1,-0.3 1,-0.3 -6,-0.1 0.717 92.1 42.9 -53.2 -25.9 26.8 0.3 23.3 21 24 A K G < S+ 0 0 142 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 0.002 97.4 128.7-110.3 29.4 28.0 -0.6 26.8 22 25 A G S < S- 0 0 16 -3,-2.6 3,-0.5 1,-0.1 -3,-0.0 0.133 72.8 -98.2 -78.9-174.2 25.8 2.1 28.5 23 26 A E S S+ 0 0 119 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.533 112.6 34.5 -90.7 -7.3 23.4 2.0 31.3 24 27 A R S S+ 0 0 44 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.317 78.9 156.1-145.3 57.6 20.1 1.8 29.4 25 28 A Q - 0 0 2 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.533 32.0 -99.5 -86.6 154.3 20.7 -0.3 26.2 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.894 78.0 38.7-129.3 156.9 18.2 -2.2 24.2 27 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.579 66.2 178.1 -80.6-179.0 16.9 -4.8 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.4 -2,-0.2 2,-0.4 -0.933 36.0 -99.0-133.9 165.1 16.5 -6.7 26.9 29 32 A D E -a 105 0A 33 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.686 33.8-140.0 -79.7 133.1 15.1 -10.0 28.0 30 33 A I E -a 106 0A 0 75,-2.8 77,-2.8 -2,-0.4 2,-0.9 -0.877 11.1-159.4 -98.7 104.6 11.6 -9.4 29.5 31 34 A D >> - 0 0 68 -2,-0.8 4,-1.8 75,-0.2 3,-0.6 -0.802 4.9-161.8 -85.3 106.4 11.4 -11.7 32.6 32 35 A T T 34 S+ 0 0 41 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.761 85.8 54.4 -66.1 -30.7 7.7 -11.9 33.0 33 36 A H T 34 S+ 0 0 168 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.821 111.7 44.6 -73.7 -24.2 7.8 -13.1 36.5 34 37 A T T <4 S+ 0 0 105 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.677 90.8 98.2 -89.2 -24.0 10.0 -10.1 37.6 35 38 A A < - 0 0 18 -4,-1.8 2,-0.4 218,-0.1 218,-0.2 -0.415 67.8-144.4 -64.6 140.8 7.9 -7.4 35.7 36 39 A K E -c 253 0B 138 216,-1.7 218,-2.5 -2,-0.1 2,-0.1 -0.929 13.6-113.9-114.1 137.1 5.5 -5.7 38.0 37 40 A Y E -c 254 0B 79 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.362 32.0-152.4 -57.6 132.6 2.0 -4.4 37.2 38 41 A D > - 0 0 33 216,-2.5 3,-1.5 1,-0.1 -1,-0.1 -0.907 16.7-171.3-116.1 107.6 2.0 -0.6 37.4 39 42 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.674 83.0 71.2 -72.2 -14.2 -1.2 1.1 38.4 40 43 A S T 3 S+ 0 0 80 2,-0.0 2,-0.3 40,-0.0 -2,-0.0 0.614 73.8 107.5 -76.2 -6.3 0.2 4.5 37.6 41 44 A L < - 0 0 28 -3,-1.5 3,-0.1 213,-0.2 38,-0.0 -0.569 64.9-142.0 -72.5 130.9 0.2 3.7 33.8 42 45 A K E -D 79 0B 145 37,-1.7 37,-0.7 -2,-0.3 39,-0.1 -0.424 40.5 -75.5 -82.5 163.0 -2.5 5.6 32.0 43 46 A P E - 0 0 118 0, 0.0 36,-0.6 0, 0.0 2,-0.3 -0.360 52.3-117.8 -61.8 143.7 -4.4 3.9 29.2 44 47 A L E -D 78 0B 25 34,-0.3 2,-0.5 -3,-0.1 34,-0.2 -0.641 26.5-161.1 -79.7 141.2 -2.3 3.5 25.9 45 48 A S E -D 77 0B 35 32,-2.9 32,-2.3 -2,-0.3 2,-0.6 -0.965 11.0-175.1-130.3 113.8 -3.7 5.4 22.9 46 49 A V E -D 76 0B 34 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.943 9.4-177.4-104.5 111.4 -2.5 4.4 19.3 47 50 A S E +D 75 0B 50 28,-3.0 28,-2.0 -2,-0.6 3,-0.2 -0.756 22.5 146.3-121.7 86.2 -4.2 6.9 17.0 48 51 A Y > + 0 0 3 -2,-0.6 3,-1.8 26,-0.2 130,-0.2 0.166 29.5 116.0-109.2 12.8 -3.2 6.0 13.4 49 52 A D T 3 S+ 0 0 110 1,-0.3 -1,-0.2 127,-0.1 25,-0.1 0.853 86.9 34.7 -47.9 -42.7 -6.4 7.0 11.5 50 53 A Q T 3 S+ 0 0 111 23,-0.9 -1,-0.3 -3,-0.2 24,-0.2 0.216 83.5 148.5-102.1 21.2 -4.7 9.7 9.5 51 54 A A < - 0 0 23 -3,-1.8 2,-0.5 1,-0.1 23,-0.1 -0.207 31.2-159.3 -58.0 136.0 -1.3 8.0 9.1 52 55 A T - 0 0 44 16,-0.3 16,-2.7 122,-0.1 2,-0.1 -0.872 3.0-161.6-122.6 96.4 0.3 8.9 5.8 53 56 A S E +E 67 0B 1 -2,-0.5 121,-0.5 122,-0.3 14,-0.3 -0.440 11.7 176.4 -74.2 148.8 3.0 6.5 4.6 54 57 A L E - 0 0 75 12,-3.6 118,-2.5 1,-0.4 2,-0.3 0.723 51.0 -9.2-115.6 -48.8 5.4 7.8 1.9 55 58 A R E -EF 66 171B 87 11,-0.9 11,-3.1 117,-0.3 2,-0.4 -0.987 45.6-134.2-164.0 145.9 8.1 5.3 0.9 56 59 A I E -EF 65 170B 0 114,-2.3 114,-2.2 -2,-0.3 2,-0.4 -0.967 28.4-169.6-116.9 137.0 9.8 2.0 1.7 57 60 A L E -EF 64 169B 34 7,-2.4 7,-2.1 -2,-0.4 2,-0.8 -0.982 24.9-145.5-134.5 133.1 13.6 1.9 1.8 58 61 A N E -E 63 0B 0 110,-2.7 109,-2.8 -2,-0.4 5,-0.2 -0.900 21.0-177.3 -93.2 109.7 16.2 -0.9 1.9 59 62 A N - 0 0 56 3,-1.6 4,-0.1 -2,-0.8 -1,-0.1 0.308 51.0-101.9 -97.2 13.0 18.9 0.7 4.0 60 63 A G S S+ 0 0 7 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.418 117.7 55.7 86.1 -5.2 21.4 -2.2 3.8 61 64 A H S S- 0 0 40 1,-0.5 2,-0.2 -58,-0.1 -1,-0.1 0.596 125.0 -37.1-122.8 -44.5 20.5 -3.3 7.4 62 65 A A S S- 0 0 6 -5,-0.1 -3,-1.6 31,-0.1 -2,-0.5 -0.698 73.0 -82.4-154.3-156.9 16.7 -3.8 7.2 63 66 A F E -E 58 0B 0 29,-0.3 29,-0.8 -5,-0.2 2,-0.4 -0.972 33.7-156.3-124.0 149.4 13.8 -2.0 5.5 64 67 A N E -EG 57 91B 19 -7,-2.1 -7,-2.4 -2,-0.3 2,-0.5 -0.973 8.4-151.7-118.5 134.4 12.0 1.1 6.7 65 68 A V E -EG 56 90B 0 25,-2.9 25,-2.2 -2,-0.4 2,-0.3 -0.952 26.1-150.5-103.0 129.7 8.5 2.4 5.9 66 69 A E E -EG 55 89B 42 -11,-3.1 -12,-3.6 -2,-0.5 -11,-0.9 -0.632 9.4-159.2-107.4 144.4 8.6 6.2 6.2 67 70 A F E -E 53 0B 9 21,-2.3 2,-0.8 -14,-0.3 -14,-0.2 -0.897 28.8-106.4-123.6 152.1 5.7 8.4 7.2 68 71 A D + 0 0 45 -16,-2.7 -16,-0.3 -2,-0.3 3,-0.3 -0.727 37.8 174.5 -76.2 111.3 4.9 12.1 6.7 69 72 A D + 0 0 40 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.051 46.7 106.8-106.1 24.1 5.4 13.5 10.2 70 73 A S S S+ 0 0 85 2,-0.0 2,-0.3 56,-0.0 -1,-0.2 0.549 84.5 33.9 -85.4 -9.5 4.9 17.2 9.2 71 74 A Q S S- 0 0 114 -3,-0.3 2,-1.4 3,-0.0 3,-0.3 -0.908 99.6 -93.0-134.4 164.1 1.4 17.3 11.0 72 75 A D S S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.671 78.6 127.6 -78.9 91.0 -0.1 15.5 14.1 73 76 A K + 0 0 55 -2,-1.4 -23,-0.9 1,-0.3 2,-0.4 0.581 65.8 26.1-122.8 -24.3 -1.5 12.6 12.1 74 77 A A S S+ 0 0 5 -3,-0.3 13,-3.0 -24,-0.2 2,-0.3 -0.857 80.8 166.9-144.0 103.7 -0.4 9.3 13.5 75 78 A V E -DH 47 86B 20 -28,-2.0 -28,-3.0 -2,-0.4 2,-0.4 -0.896 29.5-151.4-130.2 153.5 0.4 9.6 17.3 76 79 A L E +DH 46 85B 0 9,-2.6 9,-2.2 -2,-0.3 2,-0.3 -0.970 29.7 152.9-117.9 133.9 1.0 7.5 20.3 77 80 A K E +D 45 0B 94 -32,-2.3 -32,-2.9 -2,-0.4 7,-0.1 -0.927 32.3 39.9-149.5 172.8 0.1 8.7 23.8 78 81 A G E > S+D 44 0B 16 5,-0.5 3,-2.4 3,-0.3 -34,-0.3 -0.327 71.8 80.0 79.5-166.5 -0.8 7.5 27.2 79 82 A G E 3 S-D 42 0B 3 -37,-0.7 -37,-1.7 -36,-0.6 -1,-0.1 -0.399 123.1 -19.5 62.6-129.4 0.7 4.5 29.0 80 83 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.495 115.0 111.7 -82.9 -3.3 4.0 5.5 30.4 81 84 A L < - 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