==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 09-JAN-06 2FMG . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.TEMPERINI,A.SCOZZAFAVA,D.VULLO,C.T.SUPURAN . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11555.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.0 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 . 25 9.7 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 . 18 7.0 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 0 1 0 1 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 0 161 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.3 9.4 0.2 8.3 2 5 A W + 0 0 23 1,-0.1 2,-0.2 2,-0.1 7,-0.2 -0.256 360.0 139.7 -63.7 153.1 7.4 -1.4 11.1 3 6 A G - 0 0 9 5,-2.9 10,-0.1 2,-0.2 -1,-0.1 -0.729 61.0 -85.1-161.6-149.1 5.3 -4.4 10.3 4 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.248 82.7 107.9-124.7 9.1 4.3 -7.8 11.7 5 8 A G S > S- 0 0 40 4,-0.1 4,-1.7 1,-0.1 3,-0.4 -0.158 86.4 -91.8 -81.2 179.6 7.2 -10.0 10.5 6 9 A K T 4 S+ 0 0 162 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.830 124.6 35.5 -61.0 -35.6 10.0 -11.5 12.4 7 10 A H T 4 S+ 0 0 157 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.520 131.8 26.7 -99.8 -6.4 12.3 -8.6 11.9 8 11 A N T 4 S+ 0 0 60 -3,-0.4 -5,-2.9 -6,-0.1 -2,-0.2 0.272 95.6 114.8-136.7 9.8 9.8 -5.7 12.1 9 12 A G S >X S- 0 0 3 -4,-1.7 3,-2.7 -5,-0.2 4,-0.9 0.076 86.0 -67.4 -74.5-174.0 7.0 -7.1 14.2 10 13 A P T 34 S+ 0 0 29 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.734 127.9 61.4 -44.2 -36.1 5.6 -6.1 17.6 11 14 A E T 34 S+ 0 0 163 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.660 109.1 44.1 -70.6 -14.9 8.8 -7.2 19.5 12 15 A H T X> S+ 0 0 48 -3,-2.7 3,-1.8 1,-0.1 4,-0.5 0.626 87.9 88.5-102.2 -19.6 10.8 -4.6 17.5 13 16 A W H >X S+ 0 0 5 -4,-0.9 4,-2.5 1,-0.3 3,-0.5 0.789 73.4 69.8 -52.2 -35.6 8.4 -1.7 17.8 14 17 A H H 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.724 88.8 66.6 -59.1 -22.0 9.8 -0.3 21.0 15 18 A K H <4 S+ 0 0 126 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.960 115.7 23.8 -65.9 -50.2 13.0 0.7 19.2 16 19 A D H << S+ 0 0 133 -3,-0.5 -2,-0.2 -4,-0.5 -1,-0.2 0.731 136.8 37.3 -85.8 -22.1 11.3 3.4 17.1 17 20 A F >< - 0 0 55 -4,-2.5 3,-2.6 1,-0.1 -1,-0.3 -0.715 65.5-177.0-132.7 81.5 8.4 3.9 19.5 18 21 A P G > S+ 0 0 100 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.756 77.3 76.0 -47.3 -31.6 9.6 3.6 23.1 19 22 A I G > + 0 0 64 1,-0.3 3,-2.7 179,-0.2 5,-0.2 0.633 69.5 89.5 -60.6 -10.7 6.1 4.0 24.4 20 23 A A G < S+ 0 0 5 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.760 91.8 43.9 -57.4 -24.8 5.6 0.4 23.3 21 24 A K G < S+ 0 0 137 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.002 96.1 132.5-107.8 26.2 6.7 -0.5 26.8 22 25 A G S < S- 0 0 11 -3,-2.7 3,-0.5 1,-0.1 -3,-0.0 0.090 71.4-101.6 -69.4-176.1 4.5 2.2 28.4 23 26 A E S S+ 0 0 117 1,-0.2 226,-0.2 225,-0.1 -1,-0.1 0.580 114.0 34.6 -85.7 -13.7 2.1 2.1 31.3 24 27 A R S S+ 0 0 44 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.310 80.0 153.5-139.7 56.0 -1.1 2.0 29.3 25 28 A Q - 0 0 1 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.537 33.8-100.8 -87.2 152.7 -0.4 -0.1 26.2 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.884 78.6 40.8-126.3 157.1 -2.9 -2.1 24.2 27 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.577 65.5 175.1 -79.9-179.6 -4.2 -4.7 23.6 28 31 A V - 0 0 0 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.928 36.9-100.0-141.5 162.8 -4.5 -6.5 26.9 29 32 A D E -a 105 0A 23 216,-0.5 2,-0.9 -2,-0.3 77,-0.2 -0.736 33.4-137.8 -85.8 135.7 -6.0 -9.8 28.0 30 33 A I E -a 106 0A 0 75,-3.4 77,-2.3 -2,-0.4 2,-1.0 -0.848 12.4-160.2 -96.8 105.4 -9.4 -9.2 29.6 31 34 A D >> - 0 0 60 -2,-0.9 3,-2.0 75,-0.2 4,-1.7 -0.784 3.5-159.5 -88.1 104.9 -9.5 -11.5 32.6 32 35 A T T 34 S+ 0 0 42 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.771 87.8 54.2 -55.2 -31.8 -13.3 -11.7 33.2 33 36 A H T 34 S+ 0 0 168 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.463 111.7 44.0 -85.1 -1.9 -12.9 -12.7 36.8 34 37 A T T <4 S+ 0 0 101 -3,-2.0 -2,-0.2 2,-0.0 2,-0.2 0.598 92.3 94.9-110.7 -23.0 -10.7 -9.7 37.7 35 38 A A < - 0 0 19 -4,-1.7 2,-0.4 216,-0.1 218,-0.2 -0.493 68.6-144.8 -70.8 137.1 -12.8 -7.1 35.8 36 39 A K E -c 253 0B 139 216,-1.6 218,-2.4 -2,-0.2 2,-0.1 -0.885 14.7-115.0-111.4 136.8 -15.3 -5.4 38.0 37 40 A Y E -c 254 0B 98 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.458 31.3-149.9 -63.8 133.7 -18.8 -4.2 37.2 38 41 A D > - 0 0 22 216,-2.5 3,-1.1 -2,-0.1 -1,-0.1 -0.920 16.3-170.8-115.1 110.0 -18.9 -0.5 37.4 39 42 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.716 83.9 67.1 -68.0 -22.2 -22.2 1.2 38.3 40 43 A S T 3 S+ 0 0 86 2,-0.1 2,-0.3 40,-0.0 -2,-0.0 0.642 76.6 104.8 -75.1 -14.1 -20.9 4.7 37.5 41 44 A L < - 0 0 29 -3,-1.1 3,-0.1 213,-0.2 213,-0.0 -0.516 65.4-143.8 -70.8 129.9 -20.7 3.8 33.8 42 45 A K - 0 0 125 37,-1.3 39,-0.1 -2,-0.3 37,-0.1 -0.472 38.4 -74.7 -87.1 163.6 -23.5 5.4 31.8 43 46 A P - 0 0 115 0, 0.0 36,-1.3 0, 0.0 2,-0.3 -0.264 52.9-111.4 -58.9 147.7 -25.1 3.5 28.9 44 47 A L E -D 78 0B 21 34,-0.3 2,-0.5 -3,-0.1 34,-0.2 -0.646 28.3-155.2 -82.7 136.8 -22.9 3.4 25.8 45 48 A S E -D 77 0B 38 32,-3.2 32,-2.2 -2,-0.3 2,-0.7 -0.941 13.0-178.7-119.9 112.9 -24.2 5.4 22.8 46 49 A V E -D 76 0B 33 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.922 3.8-179.7-111.0 106.8 -23.2 4.5 19.3 47 50 A S E +D 75 0B 33 28,-2.9 28,-2.1 -2,-0.7 3,-0.2 -0.785 23.0 143.7-111.5 88.4 -24.7 6.9 16.7 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.7 26,-0.2 130,-0.2 0.271 35.1 109.5-105.7 8.8 -23.6 5.9 13.2 49 52 A D T 3 S+ 0 0 93 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.822 86.7 37.8 -55.1 -36.0 -26.9 6.8 11.4 50 53 A Q T 3 S+ 0 0 127 23,-0.9 -1,-0.3 -3,-0.2 24,-0.2 0.260 84.3 146.3-100.6 11.7 -25.3 9.7 9.5 51 54 A A < - 0 0 20 -3,-1.7 2,-0.4 22,-0.3 18,-0.1 -0.152 32.4-160.2 -50.1 138.5 -21.9 8.1 9.0 52 55 A T - 0 0 43 16,-0.3 16,-2.8 122,-0.1 2,-0.1 -0.850 2.8-163.6-129.7 95.6 -20.3 9.1 5.7 53 56 A S E +E 67 0B 0 -2,-0.4 121,-0.7 122,-0.4 14,-0.3 -0.412 10.1 177.6 -73.1 153.3 -17.6 6.8 4.5 54 57 A L E - 0 0 75 12,-3.0 118,-1.8 1,-0.4 2,-0.3 0.680 53.6 -7.3-124.6 -46.3 -15.3 8.2 1.8 55 58 A R E -EF 66 171B 79 11,-0.7 11,-2.9 116,-0.3 2,-0.4 -0.988 47.9-133.7-155.2 160.3 -12.6 5.7 0.8 56 59 A I E -EF 65 170B 0 114,-2.5 114,-2.3 -2,-0.3 2,-0.4 -0.970 29.5-169.9-118.6 132.6 -11.0 2.4 1.6 57 60 A L E -EF 64 169B 32 7,-2.2 7,-2.6 -2,-0.4 2,-0.8 -0.978 25.2-145.7-132.3 137.4 -7.2 2.2 1.7 58 61 A N E +E 63 0B 0 110,-2.8 109,-2.9 -2,-0.4 5,-0.2 -0.879 21.1 179.9 -95.2 109.4 -4.6 -0.6 1.9 59 62 A N - 0 0 30 3,-2.2 4,-0.1 -2,-0.8 -1,-0.1 0.242 54.0 -97.5 -96.8 14.0 -1.8 1.0 4.0 60 63 A G S S+ 0 0 8 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.386 119.2 49.2 89.8 -7.0 0.6 -1.9 4.0 61 64 A H S S- 0 0 7 1,-0.6 2,-0.3 -58,-0.1 166,-0.1 0.496 125.4 -26.4-134.4 -21.7 -0.5 -3.3 7.4 62 65 A A S S- 0 0 0 164,-0.1 -3,-2.2 165,-0.1 -1,-0.6 -0.914 71.0 -89.1-171.5-172.4 -4.3 -3.3 7.1 63 66 A F E -E 58 0B 0 -2,-0.3 2,-0.5 -5,-0.2 29,-0.4 -0.981 31.9-150.8-122.2 134.0 -7.1 -1.6 5.3 64 67 A N E -E 57 0B 7 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.8 -0.895 5.8-154.5-106.4 127.4 -8.7 1.6 6.6 65 68 A V E -EG 56 90B 0 25,-2.7 25,-1.6 -2,-0.5 -9,-0.2 -0.897 28.4-153.7 -97.5 109.6 -12.3 2.5 5.8 66 69 A E E -EG 55 89B 46 -11,-2.9 -12,-3.0 -2,-0.8 -11,-0.7 -0.571 9.7-159.2 -89.8 149.9 -12.2 6.3 6.2 67 70 A F E -E 53 0B 8 21,-2.4 2,-0.8 -14,-0.3 -14,-0.2 -0.873 28.4-105.3-125.8 157.1 -15.1 8.6 7.1 68 71 A D + 0 0 36 -16,-2.8 -16,-0.3 -2,-0.3 3,-0.3 -0.736 37.7 174.2 -81.5 112.9 -15.8 12.3 6.7 69 72 A D + 0 0 45 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 0.050 45.4 109.6-109.5 25.2 -15.3 13.7 10.2 70 73 A S S S+ 0 0 78 2,-0.0 2,-0.3 56,-0.0 -1,-0.2 0.489 88.8 25.2 -77.3 -2.1 -15.7 17.4 9.4 71 74 A Q S S- 0 0 115 -3,-0.3 2,-1.8 3,-0.0 3,-0.4 -0.976 99.9 -87.2-154.2 159.1 -19.0 17.3 11.2 72 75 A D S S+ 0 0 91 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.533 74.8 129.0 -73.0 87.0 -20.7 15.2 14.0 73 76 A K S S+ 0 0 50 -2,-1.8 -23,-0.9 1,-0.3 2,-0.6 0.814 71.9 24.3-104.8 -54.6 -22.1 12.5 11.8 74 77 A A S S+ 0 0 6 -3,-0.4 13,-3.4 -24,-0.2 2,-0.3 -0.937 83.0 167.4-117.7 106.6 -20.9 9.2 13.4 75 78 A V E -DH 47 86B 13 -28,-2.1 -28,-2.9 -2,-0.6 2,-0.4 -0.857 28.4-153.2-126.3 159.4 -20.2 9.6 17.1 76 79 A L E +DH 46 85B 0 9,-2.7 9,-2.3 -2,-0.3 2,-0.3 -0.979 31.1 144.1-125.4 135.5 -19.6 7.5 20.2 77 80 A K E +D 45 0B 72 -32,-2.2 -32,-3.2 -2,-0.4 7,-0.1 -0.933 31.9 50.5-158.0 178.5 -20.5 8.8 23.7 78 81 A G E > S+D 44 0B 18 5,-0.5 3,-2.1 3,-0.4 -34,-0.3 -0.299 74.9 73.6 78.3-167.5 -21.7 7.7 27.0 79 82 A G T 3 S- 0 0 5 -36,-1.3 -37,-1.3 1,-0.3 -1,-0.2 -0.401 124.3 -17.7 62.0-131.4 -20.2 4.7 28.8 80 83 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.535 117.4 106.3 -84.3 -3.3 -16.8 5.6 30.3 81 84 A L < - 0 0 9 -3,-2.1 2,-0.5 -39,-0.1 -3,-0.4 -0.510 57.0-153.9 -85.7 144.0 -16.7 8.6 27.9 82 85 A D - 0 0 116 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.963 68.4 -13.7-111.6 120.6 -17.0 12.3 28.7 83 86 A G S S- 0 0 50 -2,-0.5 -5,-0.5 38,-0.1 2,-0.4 -0.531 101.2 -37.4 92.3-155.8 -18.3 14.3 25.8 84 87 A T - 0 0 40 -2,-0.2 38,-2.8 -7,-0.1 2,-0.5 -0.934 41.4-163.8-120.5 135.6 -18.4 13.3 22.1 85 88 A Y E -HI 76 121B 4 -9,-2.3 -9,-2.7 -2,-0.4 2,-0.4 -0.970 15.6-142.1-118.5 127.5 -16.0 11.2 20.0 86 89 A R E -HI 75 120B 43 34,-2.8 34,-2.1 -2,-0.5 2,-0.3 -0.746 17.2-119.6 -94.7 133.0 -16.2 11.3 16.2 87 90 A L E + I 0 119B 4 -13,-3.4 32,-0.3 -2,-0.4 -13,-0.2 -0.482 37.3 165.3 -68.1 126.6 -15.7 8.3 14.0 88 91 A I E - 0 0 34 30,-3.1 -21,-2.4 1,-0.4 2,-0.3 0.693 60.0 -26.6-113.2 -32.1 -12.7 8.8 11.7 89 92 A Q E -GI 66 118B 10 29,-1.3 29,-3.0 -23,-0.2 -1,-0.4 -0.980 48.0-145.9-173.8 163.2 -12.0 5.3 10.4 90 93 A F E +GI 65 117B 0 -25,-1.6 -25,-2.7 -2,-0.3 2,-0.3 -0.963 19.7 163.1-139.4 158.0 -12.2 1.6 11.1 91 94 A H E - I 0 116B 15 25,-1.5 25,-3.0 -2,-0.3 2,-0.3 -0.942 24.0-121.1-160.5 174.6 -10.0 -1.3 10.3 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 23,-0.2 -0.791 1.7-150.4-126.3 169.2 -9.4 -4.9 11.3 93 96 A H E + I 0 114B 0 21,-1.5 21,-2.4 -2,-0.3 2,-0.3 -0.988 31.4 165.6-134.5 132.1 -6.7 -7.2 12.6 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.4 19,-0.2 145,-0.7 -0.949 24.9-120.8-148.0 168.6 -6.8 -10.8 11.6 95 98 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.7 3,-0.1 -0.387 25.4-115.8-106.2-177.1 -4.8 -14.0 11.5 96 99 A S S S+ 0 0 42 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.579 106.2 31.3 -89.4 -14.5 -3.5 -16.6 9.1 97 100 A L S > S- 0 0 109 3,-0.2 3,-1.6 15,-0.1 -2,-0.2 -0.950 88.7-111.9-139.8 156.4 -5.8 -19.2 10.8 98 101 A D T 3 S+ 0 0 69 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.781 108.8 71.2 -62.4 -25.9 -9.1 -18.9 12.6 99 102 A G T 3 S+ 0 0 61 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.472 107.4 25.5 -71.9 -1.1 -7.5 -19.7 15.9 100 103 A Q < + 0 0 57 -3,-1.6 -5,-0.7 12,-0.1 -3,-0.2 -0.964 66.5 98.4-153.6 166.9 -5.8 -16.3 16.1 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.008 55.1 104.8 141.6 -34.6 -6.1 -12.8 14.9 102 105 A S - 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