==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 27-APR-07 2POV . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.ALTERIO,G.DE SIMONE . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11885.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 62.3 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 . 57 22.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 1 0.4 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 . 22 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.5 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 . 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 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 3 A H 0 0 178 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 61.7 13.0 -1.0 7.5 2 4 A H - 0 0 122 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.247 360.0 -91.2 -65.7 154.4 9.5 0.3 8.2 3 5 A W + 0 0 37 1,-0.1 2,-0.2 2,-0.1 7,-0.2 -0.307 63.5 137.0 -66.3 153.0 7.6 -1.3 11.1 4 6 A G - 0 0 9 5,-2.7 10,-0.1 2,-0.2 -1,-0.1 -0.727 63.3 -81.2-163.2-146.1 5.4 -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 0.242 81.9 112.2-125.7 12.6 4.4 -7.7 11.6 6 8 A G S > S- 0 0 39 4,-0.1 4,-1.8 1,-0.1 3,-0.4 -0.177 83.4 -95.4 -80.9 176.4 7.3 -9.8 10.4 7 9 A K T 4 S+ 0 0 184 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.770 124.1 36.0 -63.3 -27.4 10.1 -11.5 12.4 8 10 A H T 4 S+ 0 0 134 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.516 132.2 25.2-106.0 -5.5 12.5 -8.6 11.9 9 11 A N T 4 S+ 0 0 44 -3,-0.4 -5,-2.7 -6,-0.1 -2,-0.2 0.239 96.5 115.1-139.2 11.5 10.1 -5.6 12.1 10 12 A G S >X S- 0 0 2 -4,-1.8 3,-3.0 -5,-0.2 4,-1.0 0.045 85.4 -65.5 -77.0-174.0 7.2 -7.0 14.1 11 13 A P T 34 S+ 0 0 24 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.739 129.0 58.6 -41.8 -37.8 5.8 -6.1 17.6 12 14 A E T 34 S+ 0 0 143 1,-0.2 -5,-0.1 2,-0.1 -2,-0.0 0.588 109.8 44.9 -74.9 -8.3 8.9 -7.2 19.4 13 15 A H T X> S+ 0 0 55 -3,-3.0 3,-1.8 1,-0.1 4,-0.5 0.607 87.5 88.2-105.7 -20.8 10.9 -4.7 17.5 14 16 A W H 3X S+ 0 0 5 -4,-1.0 4,-2.6 1,-0.3 3,-0.4 0.760 73.3 70.9 -52.1 -32.5 8.6 -1.7 17.7 15 17 A H H 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.750 88.1 65.4 -60.7 -24.3 10.1 -0.4 21.0 16 18 A K H <4 S+ 0 0 125 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.953 117.3 23.4 -65.1 -48.7 13.3 0.6 19.3 17 19 A D H < S+ 0 0 125 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.723 136.4 38.2 -87.4 -22.3 11.6 3.3 17.1 18 20 A F >< - 0 0 55 -4,-2.6 3,-2.5 -5,-0.2 -1,-0.2 -0.715 65.1-179.5-131.2 80.4 8.7 3.7 19.6 19 21 A P G > S+ 0 0 98 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.757 76.8 75.0 -49.5 -31.0 9.9 3.5 23.2 20 22 A I G > S+ 0 0 54 1,-0.3 3,-2.7 179,-0.2 -5,-0.1 0.636 70.4 90.8 -61.3 -10.3 6.4 4.0 24.5 21 23 A A G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.747 89.9 44.7 -56.7 -23.4 5.9 0.4 23.3 22 24 A K G < S+ 0 0 140 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 0.027 96.1 133.1-108.6 24.6 6.9 -0.6 26.9 23 25 A G S < S- 0 0 16 -3,-2.7 3,-0.5 1,-0.1 -3,-0.0 0.116 70.5-101.0 -68.9-176.8 4.8 2.0 28.5 24 26 A E S S+ 0 0 118 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.567 113.3 33.4 -85.1 -12.7 2.3 2.0 31.4 25 27 A R S S+ 0 0 47 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.315 79.7 155.3-142.0 58.3 -0.9 1.8 29.4 26 28 A Q - 0 0 2 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.521 33.0 -98.9 -87.4 152.2 -0.2 -0.2 26.2 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.892 78.3 38.4-125.8 156.6 -2.8 -2.1 24.2 28 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.571 65.4 175.9 -80.7-176.6 -4.1 -4.7 23.6 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.935 36.6 -99.6-143.9 163.2 -4.4 -6.7 26.8 30 32 A D E -a 106 0A 29 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.731 34.8-138.2 -84.9 135.0 -5.9 -9.9 27.9 31 33 A I E -a 107 0A 0 75,-3.3 77,-2.3 -2,-0.4 2,-1.1 -0.860 9.5-156.7 -99.0 107.5 -9.3 -9.4 29.5 32 34 A D >> - 0 0 67 -2,-0.8 4,-2.0 75,-0.2 3,-0.9 -0.760 5.1-160.4 -85.0 103.1 -9.6 -11.6 32.5 33 35 A T T 34 S+ 0 0 43 -2,-1.1 -1,-0.2 1,-0.2 222,-0.0 0.727 87.0 51.1 -57.4 -27.2 -13.4 -11.9 32.8 34 36 A H T 34 S+ 0 0 165 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.757 112.9 44.0 -84.5 -24.6 -13.3 -12.9 36.4 35 37 A T T <4 S+ 0 0 103 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.1 0.718 90.1 99.4 -89.9 -25.3 -11.1 -10.0 37.6 36 38 A A S < S- 0 0 17 -4,-2.0 2,-0.5 218,-0.1 218,-0.2 -0.392 70.7-138.3 -61.9 137.1 -12.9 -7.4 35.6 37 39 A K E -c 254 0B 133 216,-1.8 218,-2.6 -2,-0.1 2,-0.2 -0.860 9.5-119.5-108.4 133.9 -15.3 -5.5 37.9 38 40 A Y E -c 255 0B 122 -2,-0.5 218,-0.2 216,-0.2 151,-0.0 -0.453 28.1-155.5 -64.1 132.4 -18.8 -4.5 37.1 39 41 A D > - 0 0 35 216,-2.6 3,-1.6 -2,-0.2 -1,-0.1 -0.911 15.7-171.8-118.1 105.6 -19.1 -0.7 37.3 40 42 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.599 83.7 70.5 -69.3 -10.3 -22.5 0.7 38.1 41 43 A S T 3 S+ 0 0 87 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.579 73.6 107.5 -82.3 -9.3 -21.2 4.2 37.5 42 44 A L < - 0 0 31 -3,-1.6 3,-0.1 213,-0.2 38,-0.0 -0.576 65.8-142.2 -73.5 122.6 -20.9 3.4 33.8 43 45 A K - 0 0 133 37,-1.4 37,-0.2 -2,-0.4 39,-0.1 -0.362 38.9 -73.9 -78.5 162.6 -23.6 5.3 31.8 44 46 A P - 0 0 115 0, 0.0 36,-0.9 0, 0.0 2,-0.3 -0.305 51.9-114.4 -59.3 139.4 -25.3 3.5 28.8 45 47 A L E -D 79 0B 21 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.570 29.1-155.4 -75.7 136.8 -23.1 3.3 25.7 46 48 A S E +D 78 0B 38 32,-3.3 32,-2.3 -2,-0.3 2,-0.6 -0.937 15.2 178.6-122.2 113.0 -24.4 5.3 22.8 47 49 A V E +D 77 0B 34 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.940 3.0 178.5-113.0 110.6 -23.5 4.4 19.2 48 50 A S E +D 76 0B 47 28,-2.8 28,-1.8 -2,-0.6 3,-0.2 -0.811 20.3 146.3-116.9 90.9 -25.1 6.7 16.7 49 51 A Y > + 0 0 4 -2,-0.6 3,-1.9 26,-0.2 130,-0.2 0.309 34.7 110.7-105.5 7.1 -24.1 5.7 13.2 50 52 A D T 3 S+ 0 0 85 1,-0.3 -1,-0.1 128,-0.1 24,-0.0 0.837 87.6 36.7 -51.5 -38.7 -27.3 6.6 11.3 51 53 A Q T 3 S+ 0 0 116 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.247 84.1 140.6-100.8 13.5 -25.7 9.5 9.4 52 54 A A < - 0 0 20 -3,-1.9 2,-0.5 22,-0.1 18,-0.1 -0.281 33.3-163.7 -57.4 135.9 -22.2 7.9 9.0 53 55 A T - 0 0 45 16,-0.3 16,-3.0 122,-0.1 2,-0.1 -0.912 2.4-156.3-131.2 107.4 -20.7 8.8 5.6 54 56 A S E -E 68 0B 1 -2,-0.5 121,-0.5 122,-0.3 14,-0.3 -0.436 8.8-171.8 -77.8 153.0 -17.8 6.7 4.3 55 57 A L E - 0 0 83 12,-3.2 118,-2.0 1,-0.4 2,-0.3 0.753 56.1 -43.4-111.4 -47.1 -15.4 8.2 1.7 56 58 A R E -EF 67 172B 77 11,-0.9 11,-2.8 116,-0.3 -1,-0.4 -0.982 46.8-104.9-172.2 178.2 -13.2 5.3 0.6 57 59 A I E -EF 66 171B 0 114,-2.4 114,-2.1 -2,-0.3 2,-0.4 -0.959 30.1-165.8-123.9 139.5 -11.1 2.3 1.6 58 60 A L E -EF 65 170B 33 7,-2.2 7,-2.4 -2,-0.4 2,-0.8 -0.980 22.1-142.7-133.1 139.0 -7.3 2.1 1.7 59 61 A N E -E 64 0B 0 110,-2.9 109,-2.7 -2,-0.4 5,-0.2 -0.870 21.8-176.6 -94.6 108.1 -4.6 -0.6 1.8 60 62 A N - 0 0 37 3,-1.7 4,-0.1 -2,-0.8 -1,-0.1 0.291 52.3 -96.2 -91.7 10.8 -2.0 1.0 4.1 61 63 A G S S+ 0 0 14 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.250 118.9 44.8 97.3 -17.8 0.5 -1.8 3.9 62 64 A H S S- 0 0 38 1,-0.4 2,-0.2 -58,-0.1 166,-0.1 0.518 127.5 -25.9-129.6 -19.0 -0.4 -3.5 7.1 63 65 A A S S- 0 0 2 165,-0.1 -3,-1.7 164,-0.1 -2,-0.5 -0.836 73.3 -87.6-168.0-161.3 -4.2 -3.6 6.9 64 66 A F E -E 59 0B 0 29,-0.3 2,-0.5 -2,-0.2 29,-0.5 -0.998 26.3-150.2-134.8 139.1 -7.1 -1.6 5.3 65 67 A N E -E 58 0B 28 -7,-2.4 -7,-2.2 -2,-0.4 2,-0.8 -0.912 5.5-153.8-110.5 130.5 -8.9 1.5 6.6 66 68 A V E -EG 57 91B 0 25,-2.9 25,-1.6 -2,-0.5 2,-0.3 -0.907 29.5-153.3 -97.9 111.5 -12.5 2.4 5.7 67 69 A E E -EG 56 90B 42 -11,-2.8 -12,-3.2 -2,-0.8 -11,-0.9 -0.639 9.3-157.5 -93.4 147.6 -12.5 6.2 6.1 68 70 A F E -E 54 0B 7 21,-2.6 2,-0.9 -14,-0.3 -14,-0.3 -0.829 29.0-105.8-120.8 157.3 -15.4 8.4 7.0 69 71 A D + 0 0 46 -16,-3.0 -16,-0.3 -2,-0.3 3,-0.3 -0.746 40.2 172.2 -81.2 108.2 -16.1 12.1 6.4 70 72 A D + 0 0 43 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 -0.025 47.4 103.6-108.1 28.6 -15.6 13.5 10.0 71 73 A S S S+ 0 0 82 2,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.603 82.2 46.2 -83.6 -13.2 -15.9 17.1 9.0 72 74 A Q S S- 0 0 107 -3,-0.3 2,-2.0 2,-0.1 0, 0.0 -0.868 102.6 -88.5-127.4 162.6 -19.4 17.2 10.4 73 75 A D S S+ 0 0 120 -2,-0.3 2,-0.3 14,-0.1 3,-0.1 -0.490 80.6 121.6 -72.1 82.6 -21.2 16.1 13.6 74 76 A K + 0 0 54 -2,-2.0 14,-0.4 1,-0.3 -25,-0.1 -0.943 53.3 26.6-141.0 160.2 -22.1 12.6 12.4 75 77 A A S S- 0 0 7 -2,-0.3 13,-3.0 -27,-0.2 2,-0.4 0.960 78.1-177.2 47.4 82.4 -21.4 9.0 13.5 76 78 A V E -DH 48 87B 14 -28,-1.8 -28,-2.8 11,-0.2 2,-0.5 -0.890 24.5-160.3-118.6 143.2 -20.8 9.6 17.2 77 79 A L E +DH 47 86B 0 9,-3.1 9,-2.5 -2,-0.4 2,-0.3 -0.975 31.6 139.4-117.5 129.1 -19.9 7.4 20.1 78 80 A K E +DH 46 85B 96 -32,-2.3 -32,-3.3 -2,-0.5 7,-0.1 -0.917 30.2 51.5-155.0-179.1 -20.7 8.6 23.6 79 81 A G E > S+D 45 0B 18 5,-0.5 3,-2.2 3,-0.3 -34,-0.3 -0.357 73.5 76.7 78.7-164.0 -21.9 7.5 27.0 80 82 A G T 3 S- 0 0 5 -36,-0.9 -37,-1.4 1,-0.3 -1,-0.1 -0.412 123.5 -20.3 61.2-130.6 -20.4 4.5 28.8 81 83 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.464 115.7 110.0 -88.0 -1.2 -17.0 5.5 30.3 82 84 A L < - 0 0 9 -3,-2.2 2,-0.5 -39,-0.1 -3,-0.3 -0.501 55.4-154.2 -84.6 144.2 -16.8 8.5 28.0 83 85 A D - 0 0 118 -2,-0.2 2,-0.1 53,-0.1 -1,-0.0 -0.961 70.0 -9.9-111.2 123.7 -17.1 12.2 28.8 84 86 A G S S- 0 0 53 -2,-0.5 -5,-0.5 38,-0.1 2,-0.4 -0.483 101.7 -46.8 88.3-159.2 -18.3 14.2 25.9 85 87 A T E -H 78 0B 41 -2,-0.1 38,-2.6 -7,-0.1 2,-0.4 -0.946 39.0-158.4-124.3 138.8 -18.6 13.0 22.3 86 88 A Y E -HI 77 122B 4 -9,-2.5 -9,-3.1 -2,-0.4 2,-0.4 -0.944 15.4-142.8-115.0 131.8 -16.2 11.1 20.0 87 89 A R E -HI 76 121B 39 34,-2.8 34,-2.2 -2,-0.4 -11,-0.2 -0.796 18.8-116.2-100.8 132.6 -16.6 11.2 16.2 88 90 A L E + I 0 120B 2 -13,-3.0 32,-0.3 -14,-0.4 -14,-0.1 -0.407 38.3 163.7 -65.4 130.3 -16.0 8.2 14.0 89 91 A I E - 0 0 35 30,-2.8 -21,-2.6 1,-0.4 2,-0.3 0.684 60.2 -26.5-116.8 -33.5 -13.1 8.7 11.6 90 92 A Q E -GI 67 119B 34 29,-1.2 29,-2.9 -23,-0.2 -1,-0.4 -0.986 46.6-143.7-171.8 165.2 -12.3 5.2 10.3 91 93 A F E +GI 66 118B 0 -25,-1.6 -25,-2.9 -2,-0.3 2,-0.3 -0.974 21.3 163.1-139.7 154.3 -12.5 1.4 11.0 92 94 A H E - I 0 117B 23 25,-1.7 25,-3.0 -2,-0.3 2,-0.3 -0.927 23.8-124.1-156.2 176.6 -10.2 -1.4 10.2 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.816 0.9-149.3-128.9 167.8 -9.5 -5.0 11.2 94 96 A H E + I 0 115B 1 21,-1.5 21,-2.3 -2,-0.3 2,-0.3 -0.987 31.7 167.7-133.4 132.6 -6.7 -7.2 12.5 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.8 -0.938 24.1-119.1-146.3 169.9 -6.8 -10.9 11.5 96 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.7 3,-0.1 -0.408 24.2-118.8-106.6-178.8 -4.8 -14.1 11.5 97 99 A S S S+ 0 0 42 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.520 106.0 33.6 -90.9 -10.1 -3.4 -16.6 9.0 98 100 A L S > S- 0 0 110 3,-0.3 3,-1.6 15,-0.1 -2,-0.2 -0.960 88.1-114.0-141.7 155.3 -5.6 -19.2 10.7 99 101 A D T 3 S+ 0 0 71 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.782 109.6 69.9 -62.6 -26.4 -9.0 -19.0 12.4 100 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.454 107.8 25.8 -72.9 -0.7 -7.4 -19.8 15.8 101 103 A Q < + 0 0 56 -3,-1.6 -5,-0.7 12,-0.1 -3,-0.3 -0.967 65.4 99.5-154.0 166.1 -5.7 -16.4 16.0 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.041 54.8 105.3 143.1 -32.4 -6.0 -12.8 14.7 103 105 A S - 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