==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 10-SEP-08 3EFT . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.TEMPERINI,A.CECCHI,A.SCOZZAFAVA,C.T.SUPURAN . 255 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 22.0 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 . 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 . 26 10.2 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 6.7 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 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 . 1 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 3 1 1 1 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 0 191 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 180.0 10.0 0.2 8.7 2 5 A W + 0 0 90 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.190 360.0 135.9 -66.6 147.2 7.6 -1.3 11.2 3 6 A G - 0 0 12 5,-2.5 10,-0.1 2,-0.2 -1,-0.1 -0.680 61.8 -89.7-155.6-147.2 5.5 -4.4 10.3 4 7 A Y S S+ 0 0 47 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.332 82.5 107.3-124.6 2.4 4.4 -7.7 11.8 5 8 A G S >> S- 0 0 36 4,-0.1 4,-1.8 1,-0.1 3,-0.7 -0.146 86.9 -92.5 -78.0 175.2 7.3 -9.9 10.5 6 9 A K T 34 S+ 0 0 190 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.808 123.9 38.7 -55.5 -34.4 10.2 -11.5 12.4 7 10 A H T 34 S+ 0 0 164 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.551 130.9 23.2-100.7 -8.7 12.5 -8.6 11.8 8 11 A N T <4 S+ 0 0 53 -3,-0.7 -5,-2.5 -6,-0.1 -2,-0.2 0.275 96.6 114.8-137.7 10.0 10.1 -5.6 12.1 9 12 A G S >X S- 0 0 2 -4,-1.8 3,-3.0 -7,-0.2 4,-0.9 0.098 85.3 -63.9 -82.9-171.2 7.3 -6.9 14.2 10 13 A P T 34 S+ 0 0 29 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.719 128.8 59.6 -47.8 -33.1 5.9 -6.1 17.7 11 14 A E T 34 S+ 0 0 149 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.701 110.1 43.4 -68.2 -19.3 9.1 -7.2 19.5 12 15 A H T X> S+ 0 0 60 -3,-3.0 3,-1.7 1,-0.1 4,-0.5 0.645 88.8 88.1 -98.8 -19.9 11.1 -4.6 17.5 13 16 A W H >X S+ 0 0 5 -4,-0.9 4,-2.5 1,-0.3 3,-0.6 0.765 74.2 69.4 -56.9 -33.3 8.7 -1.6 17.8 14 17 A H H 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.766 88.2 66.2 -58.8 -28.0 10.1 -0.3 21.1 15 18 A K H <4 S+ 0 0 134 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.924 116.8 24.0 -64.1 -45.1 13.4 0.8 19.4 16 19 A D H << S+ 0 0 116 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.756 136.3 36.8 -85.7 -26.8 11.7 3.5 17.3 17 20 A F >< - 0 0 47 -4,-2.5 3,-2.5 1,-0.1 -1,-0.2 -0.742 64.8-178.1-129.6 81.1 8.7 3.9 19.7 18 21 A P G > S+ 0 0 102 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.744 77.0 76.1 -53.7 -27.2 9.9 3.5 23.4 19 22 A I G > S+ 0 0 56 1,-0.3 3,-2.6 2,-0.2 5,-0.2 0.640 71.0 87.9 -58.8 -14.1 6.3 4.0 24.6 20 23 A A G < S+ 0 0 7 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.757 91.9 44.7 -54.6 -25.9 5.9 0.3 23.5 21 24 A K G < S+ 0 0 141 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.020 97.8 129.6-105.7 24.7 7.1 -0.6 27.0 22 25 A G S < S- 0 0 15 -3,-2.6 3,-0.4 1,-0.1 -3,-0.0 0.130 72.0-101.1 -77.5-171.9 4.8 2.0 28.6 23 26 A E S S+ 0 0 126 1,-0.2 227,-0.2 169,-0.0 -1,-0.1 0.621 112.6 35.8 -89.5 -17.9 2.3 2.0 31.5 24 27 A R S S+ 0 0 48 -5,-0.2 -1,-0.2 168,-0.1 2,-0.2 -0.311 79.4 155.9-135.3 55.8 -0.9 1.9 29.4 25 28 A Q - 0 0 2 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.504 31.7-103.1 -85.4 151.8 -0.2 -0.2 26.4 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.887 77.8 40.1-127.9 154.1 -2.8 -2.1 24.3 27 30 A P + 0 0 0 0, 0.0 218,-3.1 0, 0.0 2,-0.3 0.595 66.9 176.1 -79.8 177.5 -4.1 -4.7 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.914 36.1 -99.3-133.8 165.5 -4.5 -6.6 26.9 29 32 A D E -a 105 0A 30 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.734 33.3-138.7 -80.5 134.3 -5.9 -9.9 28.1 30 33 A I E -a 106 0A 0 75,-3.1 77,-2.6 -2,-0.4 2,-1.0 -0.855 11.6-159.4 -96.9 105.1 -9.4 -9.3 29.6 31 34 A D >> - 0 0 64 -2,-0.9 3,-1.9 75,-0.2 4,-1.9 -0.784 2.6-160.2 -86.9 104.4 -9.6 -11.5 32.7 32 35 A T T 34 S+ 0 0 46 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.703 88.2 53.1 -61.4 -25.9 -13.3 -11.8 33.2 33 36 A H T 34 S+ 0 0 168 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.530 112.6 44.0 -87.4 -8.0 -13.0 -12.9 36.8 34 37 A T T <4 S+ 0 0 109 -3,-1.9 -2,-0.2 2,-0.0 2,-0.2 0.648 92.1 95.6-104.4 -25.9 -10.8 -9.8 37.7 35 38 A A < - 0 0 20 -4,-1.9 2,-0.4 218,-0.1 218,-0.2 -0.458 68.4-144.7 -67.3 135.7 -12.9 -7.3 35.8 36 39 A K E -c 253 0B 165 216,-1.6 218,-2.6 -2,-0.2 2,-0.1 -0.894 13.7-115.4-111.4 134.4 -15.4 -5.5 38.0 37 40 A Y E -c 254 0B 131 -2,-0.4 218,-0.2 216,-0.2 151,-0.0 -0.411 30.4-150.9 -58.2 134.3 -18.9 -4.3 37.2 38 41 A D > - 0 0 15 216,-2.4 3,-1.4 1,-0.1 -1,-0.1 -0.926 16.9-171.6-119.7 105.5 -19.0 -0.5 37.5 39 42 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.674 84.1 69.2 -66.9 -18.3 -22.4 1.0 38.5 40 43 A S T 3 S+ 0 0 82 2,-0.0 2,-0.4 40,-0.0 -2,-0.0 0.505 75.2 106.5 -80.1 -5.4 -21.0 4.5 37.7 41 44 A L < - 0 0 33 -3,-1.4 3,-0.1 213,-0.2 213,-0.0 -0.638 64.4-144.3 -75.2 127.3 -20.9 3.7 34.0 42 45 A K - 0 0 138 37,-1.2 37,-0.4 -2,-0.4 39,-0.1 -0.458 39.3 -74.4 -83.0 160.6 -23.7 5.5 32.0 43 46 A P - 0 0 116 0, 0.0 36,-0.9 0, 0.0 2,-0.3 -0.296 51.7-113.2 -60.1 144.7 -25.3 3.7 29.1 44 47 A L E -D 78 0B 22 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.614 28.0-157.5 -78.0 136.6 -23.2 3.5 25.9 45 48 A S E +D 77 0B 34 32,-3.1 32,-2.7 -2,-0.3 2,-0.6 -0.951 13.3 179.2-123.4 112.6 -24.5 5.5 22.9 46 49 A V E -D 76 0B 33 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.944 4.1-178.2-112.3 107.6 -23.5 4.5 19.4 47 50 A S E +D 75 0B 36 28,-3.0 28,-2.1 -2,-0.6 3,-0.2 -0.818 22.7 145.0-113.2 92.1 -25.1 6.9 16.9 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.4 26,-0.2 130,-0.3 0.275 37.2 105.1-109.9 7.7 -24.1 5.7 13.4 49 52 A D T 3 S+ 0 0 88 1,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.825 87.6 40.5 -58.0 -35.0 -27.3 6.6 11.4 50 53 A Q T 3 S+ 0 0 125 23,-0.3 24,-0.3 -3,-0.2 -1,-0.3 0.222 84.4 143.7-101.9 13.4 -25.8 9.7 9.7 51 54 A A < - 0 0 21 -3,-1.4 2,-0.5 22,-0.2 18,-0.1 -0.213 35.2-156.5 -60.0 139.6 -22.3 8.2 9.0 52 55 A T - 0 0 48 16,-0.4 16,-3.3 122,-0.1 2,-0.2 -0.882 5.3-163.8-123.4 100.4 -20.6 9.2 5.8 53 56 A S E +E 67 0B 0 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.509 9.7 178.7 -78.3 147.8 -18.0 6.9 4.5 54 57 A L E - 0 0 70 12,-2.9 118,-2.4 1,-0.4 2,-0.3 0.745 52.7 -22.2-115.1 -52.3 -15.6 8.2 1.9 55 58 A R E -EF 66 171B 87 11,-0.8 11,-3.1 116,-0.3 2,-0.4 -0.991 45.3-121.6-162.3 163.5 -13.1 5.6 0.9 56 59 A I E -EF 65 170B 0 114,-2.6 114,-2.4 -2,-0.3 2,-0.4 -0.950 29.8-170.5-115.7 133.7 -11.2 2.4 1.6 57 60 A L E -EF 64 169B 36 7,-2.4 7,-2.6 -2,-0.4 2,-0.7 -0.983 23.7-144.5-131.4 131.7 -7.4 2.3 1.7 58 61 A N E -E 63 0B 0 110,-3.0 109,-2.7 -2,-0.4 5,-0.2 -0.871 20.4-179.4 -87.5 112.4 -4.8 -0.5 2.0 59 62 A N 0 0 67 3,-2.1 4,-0.1 -2,-0.7 -1,-0.1 0.189 360.0 360.0-100.4 15.7 -2.0 1.1 4.1 60 63 A G 0 0 25 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.485 360.0 360.0 76.4 360.0 0.3 -1.9 4.0 61 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 62 65 A A 0 0 16 0, 0.0 -3,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-166.6 -4.5 -3.3 7.3 63 66 A F E -E 58 0B 0 -5,-0.2 2,-0.5 29,-0.2 29,-0.4 -0.986 360.0-151.9-117.8 136.6 -7.3 -1.6 5.4 64 67 A N E -E 57 0B 23 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.7 -0.913 8.0-155.9-106.8 127.0 -9.0 1.6 6.6 65 68 A V E -EG 56 90B 0 25,-2.6 25,-1.9 -2,-0.5 2,-0.3 -0.932 28.9-154.6 -92.5 113.6 -12.6 2.5 5.8 66 69 A E E -EG 55 89B 44 -11,-3.1 -12,-2.9 -2,-0.7 -11,-0.8 -0.664 7.6-155.4 -99.2 148.1 -12.5 6.3 6.3 67 70 A F E -E 53 0B 9 21,-2.9 2,-0.8 -2,-0.3 -14,-0.3 -0.841 27.0-105.5-121.7 153.9 -15.3 8.6 7.2 68 71 A D + 0 0 47 -16,-3.3 -16,-0.4 -2,-0.3 3,-0.2 -0.738 39.8 171.3 -77.4 112.3 -16.2 12.3 6.8 69 72 A D + 0 0 41 -2,-0.8 -1,-0.1 1,-0.1 17,-0.1 0.055 44.0 108.1-112.0 21.8 -15.6 13.7 10.3 70 73 A S S S+ 0 0 84 2,-0.0 2,-0.3 56,-0.0 -1,-0.1 0.447 87.3 32.1 -78.8 -2.3 -16.0 17.4 9.4 71 74 A Q S S- 0 0 117 -3,-0.2 2,-1.0 3,-0.0 3,-0.2 -0.972 99.2 -93.1-146.2 155.2 -19.4 17.5 11.1 72 75 A D S S+ 0 0 83 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.610 75.8 120.5 -69.8 101.1 -20.9 15.6 14.1 73 76 A K + 0 0 49 -2,-1.0 2,-0.8 1,-0.3 -23,-0.3 0.464 65.6 36.7-124.3 -85.2 -22.6 12.6 12.4 74 77 A A S S+ 0 0 7 -24,-0.3 13,-2.6 -3,-0.2 2,-0.4 -0.665 82.4 172.9 -76.9 109.3 -21.3 9.2 13.5 75 78 A V E -DH 47 86B 17 -28,-2.1 -28,-3.0 -2,-0.8 2,-0.5 -0.946 30.9-155.4-129.1 145.4 -20.7 9.6 17.3 76 79 A L E +DH 46 85B 0 9,-2.8 9,-1.9 -2,-0.4 2,-0.3 -0.970 32.1 151.4-112.4 126.3 -19.8 7.5 20.3 77 80 A K E +D 45 0B 94 -32,-2.7 -32,-3.1 -2,-0.5 7,-0.1 -0.894 32.6 34.5-144.9 176.1 -20.8 8.8 23.7 78 81 A G E > S+D 44 0B 19 5,-0.5 3,-2.0 3,-0.3 -34,-0.3 -0.257 74.3 81.6 71.6-160.5 -21.8 7.7 27.2 79 82 A G T 3 S- 0 0 5 -36,-0.9 -37,-1.2 -37,-0.4 -1,-0.1 -0.462 122.2 -20.2 60.2-130.4 -20.3 4.6 28.9 80 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.453 117.8 108.1 -83.1 -0.2 -16.9 5.6 30.4 81 84 A L < - 0 0 9 -3,-2.0 2,-0.5 -39,-0.1 -3,-0.3 -0.520 56.7-152.7 -92.2 144.1 -16.7 8.6 28.1 82 85 A D - 0 0 123 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.969 67.5 -15.2-109.8 123.8 -17.1 12.3 28.8 83 86 A G S S- 0 0 51 -2,-0.5 -5,-0.5 38,-0.1 2,-0.4 -0.496 101.1 -35.2 86.8-153.5 -18.4 14.3 25.9 84 87 A T - 0 0 37 -2,-0.2 38,-2.8 -7,-0.1 2,-0.5 -0.918 41.8-164.9-121.5 132.3 -18.6 13.4 22.2 85 88 A Y E -HI 76 121B 4 -9,-1.9 -9,-2.8 -2,-0.4 2,-0.4 -0.968 16.1-142.4-119.8 123.3 -16.2 11.3 20.1 86 89 A R E -HI 75 120B 42 34,-3.0 34,-2.3 -2,-0.5 2,-0.3 -0.715 17.7-118.1 -91.2 130.8 -16.4 11.3 16.3 87 90 A L E + I 0 119B 4 -13,-2.6 32,-0.3 -2,-0.4 -13,-0.2 -0.446 38.6 164.6 -61.0 123.2 -16.0 8.3 14.1 88 91 A I E - 0 0 36 30,-2.8 -21,-2.9 1,-0.4 2,-0.3 0.757 59.0 -23.8-107.9 -39.9 -13.0 8.8 11.8 89 92 A Q E -GI 66 118B 32 29,-1.2 29,-2.9 -23,-0.2 -1,-0.4 -0.982 47.6-142.8-162.6 159.8 -12.2 5.3 10.5 90 93 A F E +GI 65 117B 0 -25,-1.9 -25,-2.6 -2,-0.3 2,-0.3 -0.972 22.4 161.3-128.7 157.2 -12.5 1.5 11.1 91 94 A H E - I 0 116B 25 25,-1.8 25,-3.2 -2,-0.3 2,-0.3 -0.936 23.8-126.9-156.0 175.2 -10.2 -1.4 10.4 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 23,-0.2 -0.836 0.2-149.1-126.2 160.0 -9.6 -5.0 11.4 93 96 A H E + I 0 114B 2 21,-2.2 21,-2.3 -2,-0.3 2,-0.3 -0.994 31.9 169.2-123.1 136.3 -6.8 -7.2 12.7 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.6 -0.924 23.9-119.4-144.0 170.8 -6.9 -10.8 11.6 95 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.460 24.1-120.1-105.4 174.7 -5.0 -14.1 11.6 96 99 A S S S+ 0 0 36 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.579 105.9 30.4 -81.9 -13.9 -3.6 -16.6 9.1 97 100 A L S > S- 0 0 104 3,-0.2 3,-1.5 15,-0.1 -2,-0.2 -0.955 89.2-110.8-142.6 156.5 -5.8 -19.2 10.8 98 101 A D T 3 S+ 0 0 68 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.763 109.9 68.6 -62.6 -27.0 -9.2 -19.0 12.6 99 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.430 108.2 30.3 -74.6 1.0 -7.5 -19.8 16.0 100 103 A Q < + 0 0 60 -3,-1.5 -5,-0.6 12,-0.1 -3,-0.2 -0.970 66.5 95.7-152.7 163.2 -5.8 -16.4 16.1 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 -0.004 55.6 104.6 144.5 -37.0 -6.2 -12.8 14.8 102 105 A S - 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