==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 02-JUN-11 3S9T . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.GRAZULIS,E.MANAKOVA,G.TAMULAITIENE . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 62.4 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 . 56 21.7 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 . 23 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.8 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 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 3 A H 0 0 178 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 59.4 13.3 -0.9 7.6 2 4 A H - 0 0 125 1,-0.2 0, 0.0 15,-0.0 0, 0.0 -0.172 360.0 -75.5 -86.7 177.7 9.9 0.4 8.9 3 5 A W + 0 0 44 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.287 61.4 131.3 -81.0 157.2 7.6 -1.4 11.2 4 6 A G - 0 0 6 5,-2.6 10,-0.1 2,-0.1 58,-0.1 -0.779 64.6 -74.7-165.2-141.0 5.3 -4.2 10.3 5 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.355 84.7 105.7-126.8 6.9 4.2 -7.6 11.4 6 8 A G S > S- 0 0 37 4,-0.1 4,-1.7 1,-0.1 -2,-0.1 0.041 83.7 -94.7 -82.0-174.2 7.2 -9.8 10.3 7 9 A K T 4 S+ 0 0 158 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.882 124.6 38.3 -68.0 -30.7 10.1 -11.6 12.2 8 10 A H T 4 S+ 0 0 120 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.613 132.9 20.3-100.9 -9.8 12.4 -8.7 11.6 9 11 A N T 4 S+ 0 0 43 -6,-0.1 -5,-2.6 5,-0.0 -2,-0.2 0.237 95.5 112.9-136.6 20.5 10.0 -5.8 12.0 10 12 A G S >X S- 0 0 0 -4,-1.7 3,-3.0 -5,-0.2 4,-0.7 0.101 85.5 -61.2 -85.7-172.1 7.0 -7.1 14.0 11 13 A P G >4 S+ 0 0 26 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.751 127.1 60.6 -40.2 -38.5 5.8 -6.3 17.5 12 14 A E G 34 S+ 0 0 113 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.607 109.3 43.5 -72.6 -13.4 8.8 -7.5 19.3 13 15 A H G X> S+ 0 0 48 -3,-3.0 3,-1.9 1,-0.1 4,-0.5 0.539 86.3 91.9-101.7 -14.9 11.0 -4.8 17.5 14 16 A W H XX S+ 0 0 6 -3,-0.7 4,-2.6 -4,-0.7 3,-0.6 0.764 71.8 71.2 -58.8 -28.8 8.6 -1.8 17.8 15 17 A H H 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.744 87.6 64.0 -61.4 -23.7 10.1 -0.6 21.0 16 18 A K H <4 S+ 0 0 130 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.918 116.7 27.0 -71.4 -44.5 13.3 0.5 19.3 17 19 A D H << S+ 0 0 111 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.755 136.3 33.2 -81.9 -24.0 11.6 3.2 17.2 18 20 A F >< - 0 0 55 -4,-2.6 3,-2.7 1,-0.1 -1,-0.2 -0.788 66.3-176.7-134.5 80.3 8.7 3.7 19.6 19 21 A P G > S+ 0 0 97 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.718 76.3 75.1 -55.9 -24.5 9.9 3.3 23.2 20 22 A I G > + 0 0 66 1,-0.3 3,-3.4 179,-0.2 5,-0.2 0.709 69.9 90.5 -63.2 -9.7 6.4 3.8 24.7 21 23 A A G < S+ 0 0 7 -3,-2.7 -1,-0.3 1,-0.3 -6,-0.1 0.728 90.8 45.7 -52.4 -23.8 5.8 0.2 23.4 22 24 A K G < S+ 0 0 134 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 0.079 97.3 126.0-105.4 29.8 7.0 -0.7 26.9 23 25 A G S < S- 0 0 12 -3,-3.4 3,-0.5 1,-0.1 -3,-0.0 0.168 73.4 -98.1 -84.4-172.8 4.9 1.9 28.6 24 26 A E S S+ 0 0 121 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.538 112.3 34.4 -88.0 -8.9 2.3 1.9 31.3 25 27 A R S S+ 0 0 45 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.356 79.0 156.0-142.3 58.1 -0.9 1.7 29.4 26 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.557 32.7-102.3 -87.3 155.9 -0.2 -0.3 26.3 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.879 77.6 41.6-127.7 155.9 -2.8 -2.2 24.2 28 30 A P + 0 0 0 0, 0.0 218,-2.9 0, 0.0 2,-0.3 0.606 65.6 177.2 -76.6-178.2 -4.0 -4.9 23.6 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.931 36.5-101.4-139.0 161.6 -4.5 -6.8 26.8 30 32 A D E -a 106 0A 29 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.672 34.0-140.8 -75.6 133.7 -5.9 -10.1 27.9 31 33 A I E -a 107 0A 0 75,-2.8 77,-2.9 -2,-0.4 2,-0.9 -0.858 9.7-158.0-101.2 107.2 -9.3 -9.5 29.5 32 34 A D > - 0 0 64 -2,-0.8 4,-1.4 75,-0.2 3,-0.4 -0.800 5.5-160.2 -85.5 107.2 -9.5 -11.8 32.5 33 35 A T T 4 S+ 0 0 42 -2,-0.9 -1,-0.2 1,-0.2 222,-0.0 0.828 86.4 54.3 -69.6 -22.1 -13.3 -11.9 32.8 34 36 A H T 4 S+ 0 0 168 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.885 112.2 44.3 -77.2 -28.9 -13.2 -13.1 36.4 35 37 A T T 4 S+ 0 0 98 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.493 87.7 103.8 -93.8 -18.7 -11.0 -10.1 37.5 36 38 A A S < S- 0 0 17 -4,-1.4 2,-0.6 216,-0.1 218,-0.2 -0.482 72.5-129.4 -65.9 134.8 -12.9 -7.4 35.5 37 39 A K E -c 254 0B 126 216,-2.3 218,-2.5 -2,-0.2 2,-0.2 -0.831 9.1-127.1 -93.1 132.7 -15.0 -5.4 37.9 38 40 A Y E -c 255 0B 106 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.409 24.9-160.1 -72.5 128.0 -18.6 -4.8 37.3 39 41 A D > - 0 0 30 216,-2.7 3,-2.1 -2,-0.2 -1,-0.1 -0.880 13.1-170.4-119.0 101.8 -19.2 -1.0 37.5 40 42 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.690 85.6 65.8 -66.3 -12.7 -22.8 -0.2 38.1 41 43 A S T 3 S+ 0 0 88 -3,-0.1 2,-0.1 2,-0.1 215,-0.1 0.650 77.6 105.7 -82.1 -11.4 -21.9 3.5 37.4 42 44 A L < - 0 0 28 -3,-2.1 3,-0.1 213,-0.2 38,-0.0 -0.384 66.3-137.6 -67.3 141.9 -21.0 2.7 33.7 43 45 A K - 0 0 122 37,-1.1 39,-0.1 1,-0.1 -1,-0.1 -0.563 27.1 -87.5 -96.9 158.9 -23.6 3.9 31.3 44 46 A P - 0 0 116 0, 0.0 36,-1.8 0, 0.0 2,-0.2 -0.407 53.4-106.3 -55.4 145.5 -25.0 2.1 28.2 45 47 A L E -D 79 0B 12 141,-0.3 2,-0.6 34,-0.3 34,-0.2 -0.576 27.8-143.4 -71.2 145.5 -22.9 2.9 25.2 46 48 A S E +D 78 0B 31 32,-3.0 32,-2.3 -2,-0.2 2,-0.6 -0.961 20.0 179.1-112.4 111.0 -24.4 5.3 22.7 47 49 A V E -D 77 0B 32 -2,-0.6 2,-0.7 30,-0.2 30,-0.2 -0.941 1.4-179.9-109.6 110.8 -23.6 4.4 19.2 48 50 A S E +D 76 0B 37 28,-2.8 28,-2.0 -2,-0.6 27,-0.3 -0.815 21.7 146.6-119.9 86.6 -25.2 6.8 16.7 49 51 A Y > + 0 0 4 -2,-0.7 3,-2.0 26,-0.2 130,-0.2 0.327 32.4 114.6-103.9 7.2 -24.2 5.8 13.2 50 52 A D T 3 S+ 0 0 90 1,-0.3 -1,-0.1 127,-0.1 -2,-0.0 0.740 88.2 32.8 -45.1 -33.4 -27.5 6.8 11.4 51 53 A Q T 3 S+ 0 0 130 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.123 82.0 147.3-113.6 13.5 -25.7 9.6 9.4 52 54 A A < - 0 0 23 -3,-2.0 2,-0.7 1,-0.1 18,-0.1 -0.320 33.7-155.3 -56.0 128.0 -22.3 8.0 8.9 53 55 A T - 0 0 41 16,-0.4 16,-2.5 121,-0.1 2,-0.2 -0.885 6.2-165.6-106.3 99.1 -20.8 9.0 5.6 54 56 A S E +E 68 0B 0 -2,-0.7 121,-0.7 122,-0.4 14,-0.3 -0.536 11.3 174.4 -75.6 156.1 -18.3 6.5 4.5 55 57 A L E - 0 0 77 12,-3.1 118,-2.1 1,-0.4 2,-0.3 0.661 50.2 -8.6-126.1 -44.5 -16.1 7.9 1.8 56 58 A R E -EF 67 172B 82 11,-1.2 11,-3.5 116,-0.3 -1,-0.4 -0.990 47.8-128.6-163.8 156.4 -13.3 5.5 0.8 57 59 A I E -EF 66 171B 0 114,-2.4 114,-2.4 -2,-0.3 2,-0.4 -0.990 27.2-167.5-121.8 132.8 -11.5 2.3 1.6 58 60 A L E -EF 65 170B 31 7,-2.8 7,-2.9 -2,-0.4 2,-0.6 -0.976 21.3-151.3-125.9 128.4 -7.7 2.2 1.8 59 61 A N E +E 64 0B 0 110,-2.7 109,-2.7 -2,-0.4 110,-0.2 -0.907 19.4 179.1 -90.3 121.6 -5.1 -0.5 1.9 60 62 A N - 0 0 55 3,-1.7 4,-0.1 -2,-0.6 -1,-0.1 0.146 54.5 -99.1-108.1 6.0 -2.1 1.1 4.0 61 63 A G S S+ 0 0 7 2,-0.6 3,-0.1 166,-0.2 106,-0.1 0.475 118.3 58.2 90.2 -6.3 0.2 -1.9 3.9 62 64 A H S S- 0 0 38 1,-0.7 2,-0.2 -58,-0.1 -1,-0.1 0.661 123.8 -37.3-121.5 -39.3 -0.8 -2.9 7.5 63 65 A A S S- 0 0 6 -5,-0.1 -3,-1.7 31,-0.1 -1,-0.7 -0.771 71.5 -87.0-158.1-159.9 -4.5 -3.4 7.2 64 66 A F E -E 59 0B 0 29,-0.3 29,-0.5 -2,-0.2 2,-0.4 -0.990 32.9-148.2-121.6 145.4 -7.3 -1.7 5.3 65 67 A N E -E 58 0B 24 -7,-2.9 -7,-2.8 -2,-0.4 2,-0.7 -0.902 5.9-152.9-112.1 130.0 -9.3 1.4 6.6 66 68 A V E -EG 57 91B 0 25,-2.7 25,-1.9 -2,-0.4 2,-0.3 -0.924 31.7-150.3 -92.7 115.2 -12.9 2.2 5.8 67 69 A E E -EG 56 90B 45 -11,-3.5 -12,-3.1 -2,-0.7 -11,-1.2 -0.675 13.1-158.5-101.4 148.6 -12.9 6.0 6.1 68 70 A F E -E 54 0B 10 21,-2.3 2,-0.8 -2,-0.3 -14,-0.2 -0.897 29.6-111.0-121.5 144.8 -15.6 8.3 7.1 69 71 A D + 0 0 38 -16,-2.5 -16,-0.4 -2,-0.3 3,-0.3 -0.674 37.1 178.0 -72.2 110.4 -16.1 12.1 6.5 70 72 A D + 0 0 41 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.058 47.9 106.6-107.8 28.8 -15.6 13.3 10.1 71 73 A S S S+ 0 0 78 2,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.463 81.9 41.8 -89.4 1.0 -16.0 17.1 9.2 72 74 A Q S S- 0 0 102 -3,-0.3 2,-1.7 2,-0.1 0, 0.0 -0.919 101.5 -88.2-142.5 170.5 -19.4 17.2 10.8 73 75 A D S S+ 0 0 125 -2,-0.3 2,-0.3 14,-0.1 3,-0.1 -0.589 80.1 119.5 -78.1 81.8 -21.2 15.9 13.8 74 76 A K + 0 0 47 -2,-1.7 14,-0.4 1,-0.3 -2,-0.1 -0.931 59.3 27.1-139.3 155.1 -22.3 12.5 12.3 75 77 A A S S+ 0 0 5 -2,-0.3 13,-3.1 -27,-0.3 2,-0.4 0.980 79.6 177.9 58.0 80.8 -21.4 9.0 13.5 76 78 A V E -DH 48 87B 16 -28,-2.0 -28,-2.8 11,-0.2 2,-0.5 -0.909 27.2-155.6-121.1 143.5 -20.7 9.5 17.2 77 79 A L E +DH 47 86B 0 9,-2.9 9,-2.6 -2,-0.4 2,-0.3 -0.941 31.9 141.9-107.3 132.0 -19.9 7.4 20.2 78 80 A K E +D 46 0B 81 -32,-2.3 -32,-3.0 -2,-0.5 7,-0.1 -0.888 34.9 44.1-155.2-179.0 -20.7 8.6 23.6 79 81 A G E > S+D 45 0B 17 5,-0.5 3,-2.4 3,-0.3 -34,-0.3 -0.379 72.2 89.2 70.1-159.9 -21.9 7.3 27.0 80 82 A G T 3 S- 0 0 3 -36,-1.8 -37,-1.1 1,-0.3 -1,-0.1 -0.371 120.4 -28.8 69.9-140.1 -20.4 4.2 28.2 81 83 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.436 115.8 111.8 -86.3 7.4 -17.3 5.2 30.2 82 84 A L < - 0 0 10 -3,-2.4 2,-0.4 -39,-0.1 -3,-0.3 -0.540 55.9-151.8 -88.0 149.6 -16.8 8.3 28.1 83 85 A D S S- 0 0 136 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.905 72.1 -6.2-103.7 144.2 -17.2 12.0 29.0 84 86 A G S S- 0 0 52 -2,-0.4 -5,-0.5 38,-0.1 2,-0.4 -0.479 99.5 -49.3 69.9-159.9 -18.2 14.0 26.0 85 87 A T - 0 0 51 -2,-0.1 38,-2.8 -7,-0.1 2,-0.4 -0.960 36.7-160.4-132.6 138.6 -18.5 12.9 22.3 86 88 A Y E -HI 77 122B 5 -9,-2.6 -9,-2.9 -2,-0.4 2,-0.4 -0.965 14.0-142.3-120.4 132.8 -16.3 11.0 20.0 87 89 A R E -HI 76 121B 39 34,-2.8 34,-2.3 -2,-0.4 2,-0.3 -0.753 20.7-115.7-106.4 136.1 -16.6 11.1 16.2 88 90 A L E + I 0 120B 1 -13,-3.1 32,-0.3 -14,-0.4 -14,-0.1 -0.474 38.0 165.5 -68.5 129.5 -16.0 8.1 14.0 89 91 A I E - 0 0 38 30,-2.9 -21,-2.3 1,-0.4 2,-0.3 0.707 60.6 -26.6-111.6 -35.1 -13.0 8.6 11.6 90 92 A Q E -GI 67 119B 32 29,-1.3 29,-2.9 -23,-0.2 -1,-0.4 -0.985 47.4-142.9-166.9 160.3 -12.3 5.0 10.3 91 93 A F E +GI 66 118B 0 -25,-1.9 -25,-2.7 -2,-0.3 2,-0.3 -0.974 23.1 162.2-127.3 161.1 -12.6 1.4 11.0 92 94 A H E - I 0 117B 21 25,-1.9 25,-3.2 -2,-0.3 2,-0.3 -0.947 23.8-125.9-156.6 178.5 -10.2 -1.5 10.2 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.3 -2,-0.3 -29,-0.3 -0.848 0.7-149.6-126.2 160.2 -9.6 -5.1 11.2 94 96 A H E + I 0 115B 2 21,-2.0 21,-2.4 -2,-0.3 2,-0.3 -0.970 31.9 167.4-123.8 141.0 -6.8 -7.3 12.5 95 97 A W E - I 0 114B 0 -2,-0.3 146,-1.4 19,-0.2 145,-0.8 -0.939 24.7-112.5-153.0 168.9 -6.9 -11.0 11.5 96 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.7 3,-0.1 -0.473 22.6-122.1 -99.1 176.6 -4.9 -14.2 11.4 97 99 A S S S+ 0 0 43 -2,-0.2 2,-0.3 142,-0.2 5,-0.1 0.627 106.6 31.8 -86.5 -14.4 -3.4 -16.6 9.0 98 100 A L S > S- 0 0 101 3,-0.2 3,-1.5 15,-0.1 -2,-0.2 -0.924 89.2-112.4-140.2 155.3 -5.6 -19.2 10.6 99 101 A D T 3 S+ 0 0 76 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.761 110.2 69.0 -67.6 -22.0 -9.0 -19.1 12.2 100 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.396 107.8 30.6 -78.0 11.0 -7.5 -19.9 15.7 101 103 A Q < + 0 0 50 -3,-1.5 -5,-0.7 12,-0.1 -3,-0.2 -0.966 63.7 99.0-156.4 168.6 -5.8 -16.4 15.8 102 104 A G + 0 0 0 1,-0.5 13,-0.4 -2,-0.3 11,-0.2 -0.001 55.2 105.7 135.5 -25.0 -6.2 -12.9 14.7 103 105 A S - 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