==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 30-SEP-09 3K2F . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.TEMPERINI,A.CECCHI . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 22.3 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 . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.1 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 . 1 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 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 0 189 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.6 9.8 0.1 8.5 2 5 A W + 0 0 42 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.059 360.0 133.9 -60.8 151.9 7.5 -1.5 11.1 3 6 A G - 0 0 7 5,-2.5 10,-0.1 2,-0.2 -1,-0.1 -0.785 61.2 -85.0-165.2-147.4 5.4 -4.5 10.2 4 7 A Y S S+ 0 0 33 -2,-0.2 5,-0.1 5,-0.2 237,-0.1 0.268 82.2 100.1-130.2 8.8 4.4 -7.9 11.6 5 8 A G S >> S- 0 0 33 4,-0.1 4,-1.7 1,-0.1 3,-0.8 -0.341 90.4 -87.6 -88.9 175.6 7.1 -10.3 10.5 6 9 A K T 34 S+ 0 0 189 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.813 124.8 42.6 -47.5 -35.9 10.1 -11.7 12.6 7 10 A H T 34 S+ 0 0 164 1,-0.2 -1,-0.2 4,-0.0 -5,-0.0 0.607 129.3 19.6 -98.1 -11.8 12.2 -8.7 11.6 8 11 A N T <4 S+ 0 0 54 -3,-0.8 -5,-2.5 -6,-0.1 -2,-0.2 0.227 97.9 122.4-137.8 8.4 10.0 -5.7 11.9 9 12 A G S >X S- 0 0 3 -4,-1.7 3,-3.0 -7,-0.2 4,-0.9 0.098 82.0 -72.4 -73.8-177.7 7.2 -7.1 14.1 10 13 A P T 34 S+ 0 0 26 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.725 127.9 61.5 -48.9 -30.1 5.7 -6.1 17.5 11 14 A E T 34 S+ 0 0 153 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.696 108.4 43.0 -72.0 -13.5 8.8 -7.3 19.3 12 15 A H T X4 S+ 0 0 60 -3,-3.0 3,-1.6 1,-0.1 4,-0.4 0.624 88.8 87.8 -99.8 -19.9 10.9 -4.7 17.4 13 16 A W G >X S+ 0 0 6 -4,-0.9 4,-2.4 1,-0.3 3,-0.8 0.704 72.3 72.0 -61.6 -26.9 8.6 -1.7 17.7 14 17 A H G 34 S+ 0 0 67 -4,-0.4 -1,-0.3 1,-0.2 6,-0.1 0.795 86.9 67.8 -61.0 -28.4 10.0 -0.4 21.0 15 18 A K G <4 S+ 0 0 133 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.880 114.5 25.2 -62.5 -41.6 13.2 0.7 19.3 16 19 A D T <4 S+ 0 0 117 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.767 134.8 37.4 -88.3 -28.7 11.5 3.4 17.2 17 20 A F >< - 0 0 48 -4,-2.4 3,-2.6 1,-0.1 -1,-0.2 -0.781 63.9-175.0-130.5 81.4 8.6 3.9 19.7 18 21 A P G > S+ 0 0 99 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.686 79.4 76.9 -43.9 -31.5 9.8 3.6 23.3 19 22 A I G > + 0 0 62 1,-0.3 3,-2.6 179,-0.2 5,-0.2 0.646 69.0 89.2 -58.0 -16.5 6.2 4.0 24.5 20 23 A A G < S+ 0 0 6 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.782 94.2 40.6 -49.7 -28.9 5.8 0.3 23.3 21 24 A K G < S+ 0 0 140 -3,-1.7 -1,-0.3 -7,-0.1 -2,-0.1 -0.032 97.6 130.1-111.4 26.7 6.8 -0.6 26.9 22 25 A G S < S- 0 0 15 -3,-2.6 3,-0.5 1,-0.1 -3,-0.1 0.071 73.0 -98.6 -77.3-174.0 4.8 2.2 28.4 23 26 A E S S+ 0 0 126 1,-0.2 227,-0.2 169,-0.0 -1,-0.1 0.580 114.1 37.7 -88.9 -10.5 2.3 2.1 31.3 24 27 A R S S+ 0 0 49 -5,-0.2 -1,-0.2 168,-0.1 2,-0.2 -0.293 79.4 158.5-136.2 57.8 -1.0 2.0 29.2 25 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.515 30.6-102.8 -85.2 146.7 -0.3 -0.3 26.2 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.1 -2,-0.2 -2,-0.0 -0.861 78.1 36.4-120.5 156.2 -2.8 -2.1 24.1 27 30 A P + 0 0 0 0, 0.0 218,-3.0 0, 0.0 2,-0.3 0.633 66.9 179.0 -81.5-180.0 -4.1 -4.7 23.5 28 31 A V - 0 0 0 216,-0.3 77,-1.3 -2,-0.1 2,-0.5 -0.853 35.4-100.1-131.2 167.1 -4.5 -6.6 26.8 29 32 A D E -a 105 0A 35 216,-0.5 2,-0.9 -2,-0.3 77,-0.2 -0.806 33.9-138.0 -84.6 135.6 -5.9 -9.9 27.9 30 33 A I E -a 106 0A 0 75,-3.4 77,-2.6 -2,-0.5 2,-1.1 -0.845 11.4-159.0 -95.4 99.2 -9.4 -9.4 29.4 31 34 A D >> - 0 0 61 -2,-0.9 4,-1.5 75,-0.2 3,-1.4 -0.693 4.7-162.5 -76.8 101.2 -9.5 -11.6 32.5 32 35 A T T 34 S+ 0 0 46 -2,-1.1 -1,-0.2 1,-0.3 222,-0.0 0.782 85.7 54.5 -64.4 -23.8 -13.3 -11.8 32.8 33 36 A H T 34 S+ 0 0 169 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.723 111.2 43.9 -81.5 -20.6 -13.1 -13.0 36.4 34 37 A T T <4 S+ 0 0 98 -3,-1.4 2,-0.3 2,-0.1 -2,-0.2 0.630 88.6 101.2 -98.7 -16.6 -11.0 -10.0 37.5 35 38 A A < - 0 0 20 -4,-1.5 2,-0.4 216,-0.1 218,-0.2 -0.513 67.2-138.7 -71.5 130.2 -13.0 -7.3 35.6 36 39 A K E -c 253 0B 139 216,-1.3 218,-2.7 -2,-0.3 2,-0.2 -0.752 12.2-119.2 -94.7 135.7 -15.3 -5.4 37.9 37 40 A Y E -c 254 0B 129 -2,-0.4 218,-0.2 216,-0.2 151,-0.0 -0.514 32.0-151.0 -61.4 134.5 -18.9 -4.3 37.1 38 41 A D > - 0 0 27 216,-2.2 3,-1.4 -2,-0.2 -1,-0.0 -0.915 17.0-170.0-123.8 105.2 -18.9 -0.5 37.3 39 42 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.694 83.2 67.6 -64.9 -25.7 -22.2 1.3 38.2 40 43 A S T 3 S+ 0 0 95 2,-0.0 2,-0.5 40,-0.0 -2,-0.0 0.353 75.9 107.8 -79.5 8.3 -20.9 4.8 37.4 41 44 A L < - 0 0 33 -3,-1.4 3,-0.1 213,-0.1 -3,-0.0 -0.771 66.2-141.3 -83.4 124.8 -20.7 3.8 33.7 42 45 A K - 0 0 134 37,-1.3 37,-0.3 -2,-0.5 39,-0.1 -0.360 38.7 -78.8 -76.0 162.2 -23.5 5.6 31.7 43 46 A P - 0 0 117 0, 0.0 36,-0.8 0, 0.0 2,-0.3 -0.400 53.8-108.9 -65.5 146.9 -25.2 3.7 29.0 44 47 A L E -D 78 0B 22 34,-0.3 2,-0.6 141,-0.1 34,-0.2 -0.581 28.9-156.4 -75.9 136.4 -23.1 3.5 25.8 45 48 A S E +D 77 0B 35 32,-2.7 32,-2.2 -2,-0.3 2,-0.7 -0.929 13.6 179.0-121.9 109.3 -24.4 5.5 22.8 46 49 A V E -D 76 0B 34 -2,-0.6 2,-0.8 30,-0.2 30,-0.2 -0.900 5.5-178.7-108.0 99.1 -23.3 4.5 19.3 47 50 A S E +D 75 0B 37 28,-2.4 28,-1.6 -2,-0.7 3,-0.2 -0.798 20.9 147.3-102.8 94.3 -25.0 6.9 16.8 48 51 A Y > + 0 0 2 -2,-0.8 3,-1.3 26,-0.2 130,-0.2 0.237 35.3 106.5-110.0 12.9 -24.0 5.8 13.3 49 52 A D T 3 S+ 0 0 97 1,-0.3 -1,-0.1 24,-0.1 25,-0.1 0.848 86.3 39.2 -62.7 -38.8 -27.2 6.8 11.3 50 53 A Q T 3 S+ 0 0 115 23,-0.7 -1,-0.3 -3,-0.2 2,-0.2 0.058 84.2 143.0-102.2 22.5 -25.7 9.8 9.5 51 54 A A < - 0 0 20 -3,-1.3 2,-0.6 22,-0.2 18,-0.1 -0.452 33.8-160.4 -69.9 130.4 -22.2 8.2 8.9 52 55 A T - 0 0 46 16,-0.4 16,-3.1 -2,-0.2 124,-0.1 -0.871 1.6-159.3-118.2 98.8 -20.6 9.1 5.6 53 56 A S E -E 67 0B 1 -2,-0.6 121,-0.6 122,-0.4 14,-0.3 -0.388 10.6-178.7 -70.9 150.9 -17.8 6.9 4.2 54 57 A L E - 0 0 82 12,-3.2 118,-2.3 1,-0.3 2,-0.3 0.723 55.4 -21.9-109.5 -53.2 -15.4 8.3 1.6 55 58 A R E -EF 66 171B 84 11,-1.1 11,-2.8 116,-0.3 2,-0.4 -0.987 45.7-120.0-161.4 156.7 -13.0 5.5 0.7 56 59 A I E -EF 65 170B 0 114,-2.6 114,-2.4 -2,-0.3 2,-0.4 -0.913 33.1-170.2-106.3 139.0 -11.3 2.2 1.5 57 60 A L E -EF 64 169B 30 7,-2.4 7,-3.0 -2,-0.4 2,-0.7 -0.993 24.0-149.2-137.2 128.3 -7.4 2.1 1.7 58 61 A N E +E 63 0B 0 110,-2.7 109,-2.4 -2,-0.4 5,-0.2 -0.869 18.9 179.0 -86.5 116.7 -4.8 -0.5 1.9 59 62 A N - 0 0 47 3,-1.9 4,-0.1 -2,-0.7 -1,-0.1 0.150 55.5 -99.3-107.0 19.7 -1.9 1.1 3.9 60 63 A G S S+ 0 0 7 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.421 118.9 56.8 76.9 -0.3 0.4 -1.9 3.9 61 64 A H S S- 0 0 31 1,-0.6 2,-0.2 -58,-0.1 -1,-0.1 0.612 121.5 -30.4-123.6 -47.0 -0.7 -2.9 7.4 62 65 A A S S- 0 0 6 -5,-0.1 -3,-1.9 31,-0.1 -1,-0.6 -0.811 70.8 -86.4-148.2-168.2 -4.5 -3.3 7.2 63 66 A F E -E 58 0B 0 29,-0.3 29,-0.5 -2,-0.2 2,-0.5 -0.971 38.1-155.3-112.5 136.7 -7.4 -1.8 5.2 64 67 A N E -EG 57 91B 12 -7,-3.0 -7,-2.4 -2,-0.4 2,-0.7 -0.940 10.7-155.7-111.3 124.3 -9.0 1.4 6.4 65 68 A V E -EG 56 90B 0 25,-2.6 25,-1.8 -2,-0.5 2,-0.3 -0.918 25.8-157.3 -91.7 118.4 -12.5 2.6 5.7 66 69 A E E -EG 55 89B 52 -11,-2.8 -12,-3.2 -2,-0.7 -11,-1.1 -0.732 5.5-156.1-103.9 144.2 -12.3 6.3 6.1 67 70 A F E -E 53 0B 8 21,-2.6 2,-0.7 -2,-0.3 -14,-0.3 -0.816 28.0-104.0-119.1 153.0 -15.3 8.7 6.8 68 71 A D + 0 0 58 -16,-3.1 -16,-0.4 -2,-0.3 3,-0.2 -0.714 41.7 170.0 -73.1 112.6 -16.1 12.4 6.3 69 72 A D + 0 0 38 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 0.131 43.0 107.8-114.7 16.7 -15.7 13.8 9.9 70 73 A S S S+ 0 0 86 2,-0.1 2,-0.3 56,-0.0 -1,-0.1 0.654 85.6 37.5 -66.1 -18.6 -15.9 17.5 9.1 71 74 A Q S S- 0 0 112 -3,-0.2 2,-1.1 3,-0.0 3,-0.4 -0.932 98.2 -94.4-132.9 158.9 -19.4 17.5 10.8 72 75 A D S S+ 0 0 87 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.589 76.0 117.8 -77.0 99.5 -21.0 15.8 13.8 73 76 A K + 0 0 60 -2,-1.1 -23,-0.7 1,-0.4 2,-0.6 0.661 66.2 37.2-131.4 -52.2 -22.6 12.8 12.3 74 77 A A S S+ 0 0 7 -3,-0.4 13,-2.6 13,-0.2 -1,-0.4 -0.960 77.3 165.5-113.4 112.6 -21.2 9.5 13.6 75 78 A V E -DH 47 86B 13 -28,-1.6 -28,-2.4 -2,-0.6 2,-0.5 -0.962 32.7-150.6-132.3 148.1 -20.4 9.8 17.3 76 79 A L E +DH 46 85B 0 9,-2.5 9,-2.0 -2,-0.3 2,-0.3 -0.960 33.6 152.5-106.2 132.4 -19.6 7.6 20.3 77 80 A K E +D 45 0B 76 -32,-2.2 -32,-2.7 -2,-0.5 7,-0.1 -0.906 33.6 36.0-144.9 177.8 -20.7 8.9 23.7 78 81 A G E > S+D 44 0B 18 5,-0.3 3,-2.2 3,-0.3 -34,-0.3 -0.242 75.2 79.4 74.8-164.2 -21.7 7.7 27.1 79 82 A G T 3 S- 0 0 3 -36,-0.8 -37,-1.3 1,-0.3 -1,-0.1 -0.411 123.7 -20.5 59.2-133.5 -20.2 4.6 28.8 80 83 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.522 116.2 109.6 -79.3 -2.5 -16.8 5.7 30.2 81 84 A L < - 0 0 10 -3,-2.2 2,-0.6 -39,-0.1 -3,-0.3 -0.461 58.1-147.8 -88.8 142.9 -16.6 8.7 27.9 82 85 A D - 0 0 126 -2,-0.2 2,-0.0 53,-0.1 -1,-0.0 -0.937 68.1 -26.5-103.8 117.8 -16.9 12.5 28.7 83 86 A G S S- 0 0 48 -2,-0.6 2,-0.4 39,-0.1 -5,-0.3 -0.300 101.0 -24.5 77.5-157.0 -18.4 14.4 25.8 84 87 A T - 0 0 38 -7,-0.1 38,-2.6 -9,-0.0 2,-0.5 -0.778 42.5-169.5-111.3 131.3 -18.5 13.6 22.1 85 88 A Y E -HI 76 121B 5 -9,-2.0 -9,-2.5 -2,-0.4 2,-0.4 -0.965 18.1-140.9-119.8 125.3 -16.1 11.5 20.0 86 89 A R E -HI 75 120B 37 34,-3.3 34,-2.5 -2,-0.5 2,-0.2 -0.698 17.2-120.6 -91.5 127.9 -16.4 11.6 16.2 87 90 A L E + I 0 119B 3 -13,-2.6 32,-0.3 -2,-0.4 -13,-0.2 -0.468 37.4 165.5 -60.4 126.6 -15.9 8.4 14.0 88 91 A I E - 0 0 34 30,-3.2 -21,-2.6 1,-0.4 2,-0.3 0.737 57.4 -24.0-113.1 -36.8 -13.0 8.9 11.6 89 92 A Q E -GI 66 118B 28 29,-1.1 29,-3.4 -23,-0.2 -1,-0.4 -0.977 47.4-143.8-164.0 167.8 -12.2 5.3 10.3 90 93 A F E +GI 65 117B 0 -25,-1.8 -25,-2.6 -2,-0.3 2,-0.3 -0.971 20.3 161.4-139.6 158.6 -12.4 1.6 10.9 91 94 A H E -GI 64 116B 24 25,-2.0 25,-3.3 -2,-0.3 2,-0.3 -0.939 22.7-127.6-160.0 175.4 -10.1 -1.4 10.2 92 95 A F E - 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