==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 23-SEP-10 3OYS . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.AGGARWAL,R.MCKENNA . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11925.0 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 . 57 22.2 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 . 2 0.8 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 . 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 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 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 0 176 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.7 10.1 0.3 8.8 2 5 A W + 0 0 29 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.282 360.0 130.8 -69.9 153.2 7.8 -1.4 11.3 3 6 A G - 0 0 6 5,-2.5 10,-0.1 2,-0.2 -1,-0.1 -0.750 65.1 -77.5-165.6-143.7 5.5 -4.2 10.4 4 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.137 83.3 109.3-126.6 15.1 4.5 -7.7 11.6 5 8 A G S > S- 0 0 38 1,-0.1 4,-1.7 4,-0.1 3,-0.4 -0.291 83.8 -95.6 -87.4 179.0 7.4 -9.8 10.3 6 9 A K T 4 S+ 0 0 162 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.856 123.6 38.3 -60.2 -36.2 10.2 -11.6 12.1 7 10 A H T 4 S+ 0 0 153 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.602 131.0 23.8 -98.9 -7.5 12.6 -8.7 11.7 8 11 A N T 4 S+ 0 0 55 -3,-0.4 -5,-2.5 -6,-0.1 -2,-0.2 0.256 95.3 116.5-137.7 16.0 10.2 -5.7 12.1 9 12 A G S >X S- 0 0 0 -4,-1.7 3,-2.8 -7,-0.2 4,-0.8 0.133 83.7 -64.1 -84.2-171.1 7.4 -7.0 14.2 10 13 A P T 34 S+ 0 0 32 0, 0.0 4,-0.4 0, 0.0 3,-0.4 0.714 127.2 60.1 -49.6 -31.9 6.0 -6.3 17.7 11 14 A E T 34 S+ 0 0 113 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.615 110.2 44.7 -72.1 -14.2 9.1 -7.4 19.6 12 15 A H T X> S+ 0 0 49 -3,-2.8 3,-1.8 1,-0.1 4,-0.5 0.586 86.5 89.2-100.0 -18.5 11.1 -4.8 17.7 13 16 A W H >X S+ 0 0 6 -4,-0.8 4,-2.5 -3,-0.4 3,-0.8 0.807 73.9 69.3 -56.4 -32.7 8.8 -1.8 17.9 14 17 A H H 34 S+ 0 0 67 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.719 87.4 67.2 -61.2 -23.0 10.2 -0.5 21.2 15 18 A K H <4 S+ 0 0 134 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.907 117.3 23.1 -69.7 -38.9 13.5 0.5 19.5 16 19 A D H << S+ 0 0 129 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.709 136.2 37.2 -89.8 -23.9 11.8 3.3 17.5 17 20 A F >< - 0 0 54 -4,-2.5 3,-2.5 1,-0.1 -1,-0.2 -0.770 64.7-179.2-131.0 80.7 8.8 3.7 19.8 18 21 A P G > S+ 0 0 101 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 0.727 75.3 76.5 -61.7 -19.5 10.0 3.3 23.4 19 22 A I G > S+ 0 0 55 1,-0.3 3,-2.8 179,-0.2 -5,-0.1 0.662 70.3 89.6 -64.2 -12.4 6.4 3.9 24.7 20 23 A A G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.765 90.5 45.0 -52.3 -26.3 5.9 0.3 23.5 21 24 A K G < S+ 0 0 136 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.046 96.8 130.7-105.6 23.9 7.0 -0.6 27.1 22 25 A G S < S- 0 0 15 -3,-2.8 3,-0.5 1,-0.1 -3,-0.0 0.107 71.6-100.0 -72.6-175.5 4.8 2.0 28.7 23 26 A E S S+ 0 0 124 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.552 112.7 33.3 -86.3 -11.2 2.3 2.0 31.5 24 27 A R S S+ 0 0 47 224,-0.1 -1,-0.2 168,-0.0 2,-0.2 -0.283 79.4 155.7-145.3 57.4 -0.9 1.8 29.5 25 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.476 31.8 -98.7 -87.4 152.7 -0.2 -0.2 26.4 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.902 77.3 36.6-128.1 159.4 -2.8 -2.2 24.3 27 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.587 66.2 176.7 -77.1-178.5 -4.1 -4.7 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.923 36.0 -97.8-138.5 163.1 -4.4 -6.7 26.8 29 32 A D E -a 105 0A 27 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.726 33.6-139.1 -77.9 133.1 -5.9 -10.0 28.0 30 33 A I E -a 106 0A 0 75,-2.9 77,-2.7 -2,-0.4 2,-0.9 -0.867 11.1-159.2 -96.6 104.8 -9.4 -9.5 29.5 31 34 A D >> - 0 0 66 -2,-0.8 4,-1.4 75,-0.2 3,-0.7 -0.806 4.8-161.1 -86.0 107.2 -9.5 -11.7 32.5 32 35 A T T 34 S+ 0 0 43 -2,-0.9 -1,-0.2 1,-0.2 222,-0.0 0.784 85.8 52.5 -66.7 -26.5 -13.3 -12.0 32.9 33 36 A H T 34 S+ 0 0 172 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.799 113.6 44.1 -82.4 -21.1 -13.2 -13.2 36.4 34 37 A T T <4 S+ 0 0 111 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.588 88.4 99.0 -99.2 -17.8 -11.0 -10.3 37.5 35 38 A A S < S- 0 0 17 -4,-1.4 2,-0.5 216,-0.1 218,-0.2 -0.440 70.9-134.9 -65.5 144.1 -12.8 -7.5 35.6 36 39 A K E -c 253 0B 132 216,-2.1 218,-2.5 -2,-0.1 2,-0.2 -0.912 8.3-119.6-112.8 132.9 -15.1 -5.6 37.9 37 40 A Y E -c 254 0B 88 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.427 24.9-159.8 -59.3 131.7 -18.7 -4.6 37.3 38 41 A D > - 0 0 39 216,-2.5 3,-1.6 -2,-0.2 -1,-0.1 -0.904 7.4-169.1-120.1 98.3 -18.9 -0.8 37.6 39 42 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.669 83.7 64.3 -68.0 -13.2 -22.6 0.2 38.2 40 43 A S T 3 S+ 0 0 92 2,-0.1 215,-0.1 40,-0.0 -2,-0.0 0.679 75.9 106.2 -83.4 -20.1 -21.8 3.9 37.5 41 44 A L < - 0 0 32 -3,-1.6 3,-0.1 213,-0.2 38,-0.0 -0.365 68.8-135.0 -53.1 136.8 -20.8 3.2 33.9 42 45 A K - 0 0 138 37,-1.3 39,-0.1 1,-0.1 -1,-0.1 -0.516 28.3 -88.1 -88.8 161.3 -23.6 4.5 31.6 43 46 A P - 0 0 110 0, 0.0 36,-1.4 0, 0.0 2,-0.1 -0.460 50.8-104.2 -65.4 150.2 -24.9 2.6 28.7 44 47 A L E -D 78 0B 17 34,-0.3 2,-0.5 141,-0.2 34,-0.2 -0.439 27.0-149.6 -68.2 147.8 -23.0 3.2 25.5 45 48 A S E -D 77 0B 48 32,-2.8 32,-2.2 -2,-0.1 2,-0.6 -0.961 13.9-176.7-120.0 110.9 -24.6 5.5 22.9 46 49 A V E -D 76 0B 33 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.933 1.8-179.1-107.9 111.7 -23.7 4.5 19.3 47 50 A S E +D 75 0B 41 28,-2.9 28,-2.2 -2,-0.6 3,-0.2 -0.803 23.3 142.8-119.3 88.0 -25.3 7.0 16.9 48 51 A Y > + 0 0 4 -2,-0.6 3,-1.8 26,-0.2 130,-0.2 0.237 33.5 108.4-108.8 9.5 -24.3 6.0 13.4 49 52 A D T 3 S+ 0 0 94 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.819 86.2 41.3 -64.1 -28.5 -27.5 6.9 11.5 50 53 A Q T 3 S+ 0 0 129 23,-0.9 -1,-0.3 -3,-0.2 24,-0.2 0.181 83.6 147.2-102.8 18.9 -26.0 9.9 9.7 51 54 A A < - 0 0 23 -3,-1.8 2,-0.5 1,-0.1 23,-0.1 -0.231 32.7-159.5 -57.1 139.3 -22.6 8.2 9.0 52 55 A T - 0 0 46 16,-0.3 16,-2.6 122,-0.1 2,-0.1 -0.865 5.7-166.1-122.2 95.0 -20.9 9.3 5.8 53 56 A S E +E 67 0B 1 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.500 11.4 173.0 -74.3 147.0 -18.3 6.8 4.6 54 57 A L E - 0 0 79 12,-3.0 118,-2.2 1,-0.4 2,-0.3 0.702 49.3 -3.3-117.9 -42.7 -16.0 8.1 1.9 55 58 A R E -EF 66 171B 83 11,-1.1 11,-2.9 116,-0.3 -1,-0.4 -0.972 46.0-135.4-158.9 153.5 -13.2 5.8 1.0 56 59 A I E -EF 65 170B 0 114,-2.4 114,-2.1 -2,-0.3 2,-0.4 -0.993 27.9-171.5-121.7 134.4 -11.4 2.5 1.6 57 60 A L E -EF 64 169B 31 7,-2.3 7,-2.6 -2,-0.4 2,-0.7 -0.987 24.8-146.5-132.2 129.9 -7.6 2.4 1.8 58 61 A N E -E 63 0B 0 110,-2.8 109,-2.9 -2,-0.4 5,-0.2 -0.879 21.6-179.9 -86.8 111.3 -5.0 -0.3 2.0 59 62 A N - 0 0 53 3,-1.9 4,-0.1 -2,-0.7 -1,-0.1 0.307 51.8-101.9 -98.8 11.2 -2.3 1.4 4.1 60 63 A G S S+ 0 0 6 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.345 117.1 55.3 88.3 -8.0 0.1 -1.5 4.2 61 64 A H S S- 0 0 39 1,-0.6 2,-0.2 -58,-0.1 166,-0.1 0.572 124.6 -30.8-124.5 -31.1 -0.8 -2.6 7.7 62 65 A A S S- 0 0 5 -5,-0.1 -3,-1.9 165,-0.1 -1,-0.6 -0.855 70.7 -90.0-163.5-172.5 -4.6 -3.1 7.4 63 66 A F E -E 58 0B 0 29,-0.3 29,-0.5 -2,-0.2 2,-0.5 -0.988 35.6-154.3-115.6 139.8 -7.4 -1.5 5.4 64 67 A N E -EG 57 91B 19 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.7 -0.929 11.2-152.6-113.4 131.4 -9.3 1.5 6.6 65 68 A V E -EG 56 90B 0 25,-2.8 25,-1.9 -2,-0.5 2,-0.3 -0.904 29.9-152.7 -94.5 117.3 -12.9 2.6 5.8 66 69 A E E -EG 55 89B 47 -11,-2.9 -12,-3.0 -2,-0.7 -11,-1.1 -0.723 10.2-160.2-100.6 148.2 -12.8 6.3 6.3 67 70 A F E -E 53 0B 8 21,-2.6 2,-0.7 -2,-0.3 -14,-0.2 -0.815 31.6 -98.8-123.1 159.0 -15.6 8.7 7.2 68 71 A D + 0 0 35 -16,-2.6 -16,-0.3 -2,-0.3 3,-0.2 -0.699 41.9 171.7 -74.5 111.3 -16.4 12.3 7.0 69 72 A D + 0 0 42 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 -0.004 47.3 103.1-113.7 26.9 -15.6 13.5 10.5 70 73 A S S S+ 0 0 83 56,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.375 90.0 24.7 -89.9 3.5 -15.9 17.3 9.8 71 74 A Q S S- 0 0 118 -3,-0.2 2,-1.4 3,-0.1 3,-0.4 -0.943 101.0 -85.1-151.6 165.7 -19.3 17.3 11.6 72 75 A D S S+ 0 0 91 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.652 75.4 130.3 -77.0 93.9 -21.1 15.3 14.2 73 76 A K S S+ 0 0 46 -2,-1.4 -23,-0.9 1,-0.3 2,-0.4 0.643 73.5 18.4-114.9 -38.5 -22.5 12.6 11.9 74 77 A A S S+ 0 0 5 -3,-0.4 13,-2.9 -24,-0.2 2,-0.3 -0.924 83.8 169.1-138.7 110.1 -21.5 9.3 13.5 75 78 A V E -DH 47 86B 14 -28,-2.2 -28,-2.9 -2,-0.4 2,-0.4 -0.935 29.8-147.8-131.7 152.1 -20.6 9.6 17.1 76 79 A L E +DH 46 85B 0 9,-2.8 9,-2.1 -2,-0.3 2,-0.3 -0.955 31.0 154.2-115.4 134.9 -20.0 7.5 20.2 77 80 A K E +D 45 0B 83 -32,-2.2 -32,-2.8 -2,-0.4 7,-0.1 -0.879 35.1 37.2-147.4 176.2 -20.9 8.8 23.6 78 81 A G E > S+D 44 0B 19 5,-0.4 3,-2.4 3,-0.3 -34,-0.3 -0.278 72.2 84.7 72.1-155.3 -21.9 7.5 27.1 79 82 A G T 3 S- 0 0 6 -36,-1.4 -37,-1.3 1,-0.3 -1,-0.1 -0.433 120.9 -23.6 57.0-133.6 -20.3 4.5 28.6 80 83 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.449 116.9 109.8 -80.8 -3.2 -17.0 5.6 30.3 81 84 A L < - 0 0 13 -3,-2.4 2,-0.5 -39,-0.1 -3,-0.3 -0.514 54.4-156.7 -88.4 144.7 -16.8 8.6 28.0 82 85 A D - 0 0 128 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.963 68.2 -2.1-106.7 129.0 -17.2 12.3 28.8 83 86 A G S S- 0 0 44 -2,-0.5 -5,-0.4 38,-0.1 2,-0.4 -0.419 98.8 -45.3 89.2-167.4 -18.2 14.2 25.7 84 87 A T - 0 0 27 -7,-0.1 38,-2.5 -2,-0.1 2,-0.5 -0.888 41.8-163.0-115.8 128.5 -18.7 13.3 22.1 85 88 A Y E -HI 76 121B 5 -9,-2.1 -9,-2.8 -2,-0.4 2,-0.4 -0.973 13.7-143.5-117.3 124.7 -16.3 11.2 20.0 86 89 A R E -HI 75 120B 45 34,-2.8 34,-2.1 -2,-0.5 2,-0.4 -0.732 17.2-119.2 -93.1 135.4 -16.6 11.2 16.2 87 90 A L E + I 0 119B 2 -13,-2.9 32,-0.3 -2,-0.4 -13,-0.1 -0.520 37.3 166.1 -68.9 125.3 -16.1 8.2 14.1 88 91 A I E - 0 0 33 30,-2.7 -21,-2.6 1,-0.4 2,-0.3 0.748 60.0 -24.3-109.6 -34.9 -13.1 8.7 11.7 89 92 A Q E -GI 66 118B 32 29,-1.2 29,-3.0 -23,-0.2 -1,-0.4 -0.983 48.1-142.8-166.8 158.4 -12.4 5.2 10.4 90 93 A F E +GI 65 117B 0 -25,-1.9 -25,-2.8 -2,-0.3 2,-0.3 -0.969 23.7 161.3-126.2 159.5 -12.7 1.5 11.1 91 94 A H E -GI 64 116B 20 25,-1.9 25,-3.1 -2,-0.3 2,-0.3 -0.919 23.4-126.5-157.3 175.5 -10.4 -1.4 10.3 92 95 A F E - 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