==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-JUN-06 2HD6 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.DE SIMONE,R.M.VITALE,A.DI FIORE,C.PEDONE . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 63.0 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 . 58 22.6 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 . 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 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 0 2 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 0 184 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 74.8 13.2 -1.0 7.3 2 4 A H - 0 0 119 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.475 360.0 -95.9 -82.0 150.4 9.6 -0.0 8.1 3 5 A W + 0 0 40 -2,-0.2 2,-0.2 1,-0.1 7,-0.2 -0.306 61.3 137.2 -64.3 150.3 7.7 -1.5 11.1 4 6 A G - 0 0 8 5,-2.7 10,-0.1 2,-0.2 -1,-0.1 -0.686 63.6 -80.1-160.3-146.4 5.5 -4.5 10.3 5 7 A Y S S+ 0 0 36 5,-0.2 5,-0.2 -2,-0.2 237,-0.1 0.130 84.0 109.7-125.3 17.7 4.5 -7.9 11.6 6 8 A G S > S- 0 0 38 4,-0.1 4,-1.8 1,-0.1 3,-0.5 -0.295 84.2 -97.4 -87.9 176.8 7.4 -9.9 10.3 7 9 A K T 4 S+ 0 0 181 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.825 122.8 38.2 -65.2 -31.7 10.2 -11.5 12.4 8 10 A H T 4 S+ 0 0 141 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.510 132.4 24.4 -98.9 -3.2 12.6 -8.7 11.8 9 11 A N T 4 S+ 0 0 44 -3,-0.5 -5,-2.7 -6,-0.1 -2,-0.2 0.264 96.5 117.4-140.5 9.8 10.2 -5.8 12.0 10 12 A G S >X S- 0 0 2 -4,-1.8 3,-2.7 -5,-0.2 4,-1.0 0.099 83.9 -66.6 -73.2-174.0 7.4 -7.2 14.1 11 13 A P T 34 S+ 0 0 27 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.754 128.1 59.4 -43.2 -38.5 5.9 -6.2 17.5 12 14 A E T 34 S+ 0 0 143 1,-0.2 -2,-0.1 2,-0.1 -5,-0.0 0.569 108.7 46.2 -73.6 -6.9 9.0 -7.2 19.5 13 15 A H T X4 S+ 0 0 57 -3,-2.7 3,-1.8 2,-0.1 4,-0.5 0.649 87.6 86.9-104.8 -23.7 11.0 -4.7 17.5 14 16 A W G >X S+ 0 0 5 -4,-1.0 4,-2.8 1,-0.3 3,-0.6 0.765 74.2 70.2 -49.7 -36.2 8.7 -1.7 17.7 15 17 A H G 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 6,-0.1 0.766 88.4 65.7 -57.9 -26.9 10.1 -0.4 21.0 16 18 A K G <4 S+ 0 0 123 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.936 116.8 24.1 -62.8 -47.3 13.3 0.7 19.3 17 19 A D T <4 S+ 0 0 124 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.777 136.8 36.9 -86.2 -28.7 11.7 3.3 17.1 18 20 A F >< - 0 0 54 -4,-2.8 3,-2.5 1,-0.1 -1,-0.2 -0.734 65.2-179.0-127.8 82.0 8.7 3.7 19.5 19 21 A P G > S+ 0 0 96 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.734 76.8 76.2 -50.4 -28.5 9.9 3.4 23.2 20 22 A I G > S+ 0 0 61 1,-0.3 3,-2.5 2,-0.2 -5,-0.1 0.619 70.8 88.2 -62.5 -9.8 6.3 3.9 24.3 21 23 A A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.775 90.9 44.9 -58.9 -26.9 5.8 0.3 23.2 22 24 A K G < S+ 0 0 138 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 -0.023 97.0 136.1-104.6 26.8 7.0 -0.6 26.8 23 25 A G < - 0 0 12 -3,-2.5 3,-0.4 1,-0.1 -3,-0.1 0.133 69.0-103.9 -67.5-176.4 4.7 2.1 28.2 24 26 A E S S+ 0 0 116 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.589 112.9 32.7 -87.5 -14.8 2.4 2.1 31.2 25 27 A R S S+ 0 0 47 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.351 80.8 157.1-140.7 58.8 -0.9 1.8 29.3 26 28 A Q - 0 0 3 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.537 31.7-100.0 -87.4 151.3 -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 -0.885 79.0 39.0-124.5 156.3 -2.8 -2.2 24.1 28 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.581 66.1 175.3 -82.1-179.6 -4.0 -4.7 23.5 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.923 36.8 -98.0-140.7 163.4 -4.4 -6.6 26.8 30 32 A D E -a 106 0A 30 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.693 34.4-136.3 -83.2 137.8 -5.9 -9.9 27.9 31 33 A I E -a 107 0A 0 75,-3.7 77,-2.3 -2,-0.4 2,-1.1 -0.835 11.7-160.5-100.4 101.8 -9.3 -9.4 29.4 32 34 A D >> - 0 0 65 -2,-0.9 4,-1.8 75,-0.2 3,-0.7 -0.727 4.8-163.1 -81.6 100.8 -9.6 -11.6 32.5 33 35 A T T 34 S+ 0 0 42 -2,-1.1 -1,-0.2 1,-0.2 222,-0.0 0.752 85.3 54.3 -58.3 -28.5 -13.4 -11.7 32.8 34 36 A H T 34 S+ 0 0 166 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.810 112.2 42.0 -78.4 -29.4 -13.2 -12.8 36.4 35 37 A T T <4 S+ 0 0 106 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.701 91.4 100.4 -88.4 -22.6 -11.0 -9.9 37.5 36 38 A A < - 0 0 17 -4,-1.8 2,-0.4 218,-0.1 218,-0.2 -0.426 68.2-143.7 -63.2 136.9 -13.0 -7.3 35.5 37 39 A K E -c 254 0B 141 216,-1.7 218,-2.9 -2,-0.1 2,-0.2 -0.882 13.2-113.1-112.7 138.4 -15.3 -5.5 37.8 38 40 A Y E -c 255 0B 122 -2,-0.4 218,-0.2 216,-0.2 151,-0.0 -0.440 30.5-153.5 -63.6 131.8 -18.9 -4.2 37.1 39 41 A D > - 0 0 30 216,-2.8 3,-1.5 -2,-0.2 -1,-0.1 -0.896 15.9-174.4-115.0 103.0 -18.8 -0.4 37.2 40 42 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.638 81.4 70.9 -69.6 -12.5 -22.1 1.2 38.1 41 43 A S T 3 S+ 0 0 82 2,-0.1 2,-0.3 40,-0.0 -2,-0.0 0.600 75.7 105.8 -79.0 -9.9 -20.7 4.6 37.4 42 44 A L < - 0 0 28 -3,-1.5 3,-0.1 213,-0.2 38,-0.0 -0.535 66.6-140.7 -72.9 132.8 -20.7 3.8 33.7 43 45 A K E -D 80 0B 117 37,-1.6 37,-0.5 -2,-0.3 39,-0.1 -0.486 39.6 -73.2 -88.6 162.1 -23.5 5.5 31.7 44 46 A P E - 0 0 118 0, 0.0 36,-0.6 0, 0.0 2,-0.3 -0.299 54.0-118.2 -55.4 135.4 -25.4 3.8 28.9 45 47 A L E -D 79 0B 23 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.598 27.9-157.8 -77.8 137.7 -23.2 3.4 25.9 46 48 A S E -D 78 0B 43 32,-3.3 32,-2.2 -2,-0.3 2,-0.6 -0.957 14.0-179.2-123.3 116.1 -24.6 5.2 22.8 47 49 A V E +D 77 0B 32 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.941 5.3 178.2-113.8 108.6 -23.6 4.3 19.3 48 50 A S E +D 76 0B 43 28,-2.7 28,-1.8 -2,-0.6 3,-0.2 -0.795 20.6 145.9-116.0 90.1 -25.2 6.6 16.7 49 51 A Y > + 0 0 4 -2,-0.6 3,-1.9 26,-0.2 130,-0.2 0.272 36.3 109.5-105.1 8.8 -24.1 5.6 13.2 50 52 A D T 3 S+ 0 0 85 1,-0.3 -1,-0.2 128,-0.1 -2,-0.0 0.827 86.7 39.2 -55.6 -34.2 -27.3 6.4 11.4 51 53 A Q T 3 S+ 0 0 113 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.252 85.0 141.2-101.1 13.6 -25.8 9.4 9.6 52 54 A A < - 0 0 21 -3,-1.9 2,-0.4 22,-0.1 18,-0.1 -0.235 34.3-161.4 -57.2 140.7 -22.4 7.9 9.0 53 55 A T - 0 0 49 16,-0.3 16,-2.9 122,-0.1 2,-0.1 -0.867 1.4-162.2-131.5 100.1 -20.8 8.7 5.7 54 56 A S E +E 68 0B 0 -2,-0.4 121,-0.7 122,-0.4 14,-0.3 -0.420 11.7 175.4 -76.1 155.0 -18.1 6.5 4.4 55 57 A L E - 0 0 70 12,-3.0 118,-2.3 1,-0.4 2,-0.3 0.660 53.3 -2.4-127.4 -44.7 -15.8 7.9 1.6 56 58 A R E -EF 67 172B 85 11,-1.0 11,-2.9 116,-0.3 -1,-0.4 -0.965 48.2-136.8-152.1 163.3 -13.0 5.6 0.8 57 59 A I E -EF 66 171B 0 114,-2.4 114,-2.2 -2,-0.3 2,-0.4 -0.989 26.8-171.5-126.5 136.4 -11.3 2.3 1.5 58 60 A L E -EF 65 170B 30 7,-2.3 7,-2.8 -2,-0.4 2,-0.8 -0.986 26.7-145.6-136.7 139.7 -7.5 2.0 1.7 59 61 A N E -E 64 0B 0 110,-2.7 109,-2.8 -2,-0.4 5,-0.2 -0.891 21.1-179.7 -98.0 107.5 -4.8 -0.7 2.0 60 62 A N - 0 0 49 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.280 53.2-101.0 -93.4 11.8 -2.2 1.1 4.1 61 63 A G S S+ 0 0 6 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.422 118.1 56.1 87.1 -2.9 0.2 -1.9 4.1 62 64 A H S S- 0 0 35 1,-0.7 2,-0.3 -58,-0.1 166,-0.1 0.531 124.8 -33.6-127.7 -30.4 -0.8 -3.0 7.7 63 65 A A S S- 0 0 5 164,-0.1 -3,-2.0 -5,-0.1 -1,-0.7 -0.891 71.6 -85.5-171.1-170.7 -4.5 -3.4 7.2 64 66 A F E -E 59 0B 0 -2,-0.3 2,-0.5 29,-0.3 29,-0.4 -0.977 34.4-151.2-121.8 134.4 -7.3 -1.8 5.3 65 67 A N E -E 58 0B 21 -7,-2.8 -7,-2.3 -2,-0.4 2,-0.8 -0.896 9.2-155.7-108.6 129.7 -9.2 1.3 6.4 66 68 A V E -EG 57 91B 0 25,-2.7 25,-1.7 -2,-0.5 2,-0.3 -0.915 29.4-155.6 -98.0 112.0 -12.8 2.3 5.6 67 69 A E E -EG 56 90B 46 -11,-2.9 -12,-3.0 -2,-0.8 -11,-1.0 -0.683 7.7-156.6 -95.1 147.1 -12.6 6.0 6.1 68 70 A F E -E 54 0B 10 21,-2.3 2,-0.8 -2,-0.3 -14,-0.3 -0.830 28.2-105.4-119.9 157.0 -15.5 8.3 6.9 69 71 A D + 0 0 55 -16,-2.9 -16,-0.3 -2,-0.3 3,-0.3 -0.744 39.6 173.6 -80.8 112.5 -16.2 12.0 6.4 70 72 A D + 0 0 41 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.047 45.7 107.0-111.9 31.0 -15.8 13.4 9.9 71 73 A S S S+ 0 0 82 2,-0.0 2,-0.3 56,-0.0 -1,-0.2 0.586 82.2 41.8 -83.1 -10.7 -16.1 17.1 9.0 72 74 A Q S S- 0 0 111 -3,-0.3 2,-2.0 2,-0.1 0, 0.0 -0.887 102.3 -85.4-133.2 165.3 -19.5 17.2 10.6 73 75 A D S S+ 0 0 114 -2,-0.3 2,-0.3 14,-0.1 3,-0.1 -0.476 80.0 123.3 -72.7 80.8 -21.3 15.9 13.7 74 76 A K + 0 0 67 -2,-2.0 14,-0.4 1,-0.3 -25,-0.1 -0.944 56.6 19.7-138.2 157.5 -22.2 12.5 12.3 75 77 A A S S+ 0 0 6 -2,-0.3 13,-2.5 1,-0.1 2,-0.3 0.938 79.3 176.9 45.1 88.2 -21.6 8.9 13.5 76 78 A V E -DH 48 87B 10 -28,-1.8 -28,-2.7 11,-0.2 2,-0.4 -0.922 29.0-151.6-127.8 152.5 -20.7 9.5 17.1 77 79 A L E +DH 47 86B 0 9,-3.0 9,-2.4 -2,-0.3 2,-0.3 -0.964 32.8 146.7-117.6 132.6 -19.9 7.3 20.1 78 80 A K E +D 46 0B 77 -32,-2.2 -32,-3.3 -2,-0.4 7,-0.1 -0.933 30.9 45.4-154.5 175.8 -20.8 8.6 23.6 79 81 A G E > S+D 45 0B 15 5,-0.5 3,-2.0 3,-0.3 -34,-0.3 -0.330 74.1 77.0 79.4-165.1 -21.9 7.5 27.0 80 82 A G E 3 S-D 43 0B 0 -36,-0.6 -37,-1.6 -37,-0.5 -1,-0.1 -0.423 122.8 -20.8 62.2-133.3 -20.3 4.5 28.8 81 83 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.487 115.8 109.2 -85.9 -2.7 -16.9 5.6 30.2 82 84 A L < - 0 0 6 -3,-2.0 2,-0.6 -39,-0.1 -3,-0.3 -0.497 57.4-152.3 -82.7 143.4 -16.7 8.5 27.8 83 85 A D - 0 0 109 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.960 68.4 -13.9-112.1 114.0 -17.0 12.1 28.7 84 86 A G S S- 0 0 41 -2,-0.6 -5,-0.5 39,-0.1 2,-0.4 -0.530 102.0 -37.8 95.5-161.9 -18.3 14.1 25.7 85 87 A T - 0 0 32 -2,-0.2 38,-2.7 -7,-0.1 2,-0.4 -0.890 42.8-163.4-112.5 134.6 -18.7 13.1 22.1 86 88 A Y E -HI 77 122B 4 -9,-2.4 -9,-3.0 -2,-0.4 2,-0.4 -0.950 14.9-144.3-114.6 133.1 -16.3 11.0 20.0 87 89 A R E -HI 76 121B 39 34,-2.6 34,-2.1 -2,-0.4 -11,-0.2 -0.840 16.9-117.3-104.7 132.8 -16.6 11.1 16.2 88 90 A L E + I 0 120B 2 -13,-2.5 32,-0.3 -2,-0.4 -14,-0.1 -0.437 37.4 164.4 -67.4 129.1 -16.0 8.1 13.9 89 91 A I E - 0 0 35 30,-2.9 -21,-2.3 1,-0.4 2,-0.3 0.668 60.9 -25.2-116.6 -28.7 -13.1 8.6 11.5 90 92 A Q E -GI 67 119B 34 29,-1.2 29,-2.9 -23,-0.2 -1,-0.4 -0.975 47.8-146.2-174.6 164.0 -12.4 5.1 10.3 91 93 A F E +GI 66 118B 0 -25,-1.7 -25,-2.7 -2,-0.3 2,-0.3 -0.979 21.1 160.5-142.3 153.3 -12.6 1.4 11.0 92 94 A H E - I 0 117B 23 25,-1.7 25,-3.3 -2,-0.3 2,-0.3 -0.895 24.7-123.5-155.9-179.3 -10.3 -1.5 10.1 93 95 A F E - I 0 116B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.3 -0.850 0.4-146.5-133.4 169.4 -9.6 -5.1 11.3 94 96 A H E + I 0 115B 2 21,-1.5 21,-2.1 -2,-0.3 2,-0.3 -0.991 31.5 169.3-133.9 131.3 -6.8 -7.3 12.5 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.9 -0.934 23.7-120.2-143.8 168.4 -6.9 -11.0 11.5 96 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.7 3,-0.1 -0.410 25.2-116.5-105.2-179.2 -4.9 -14.2 11.5 97 99 A S S S+ 0 0 41 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.603 106.0 32.6 -86.9 -14.5 -3.5 -16.6 9.0 98 100 A L S > S- 0 0 108 3,-0.2 3,-1.5 15,-0.1 -2,-0.2 -0.936 88.9-112.1-137.9 157.6 -5.8 -19.2 10.7 99 101 A D T 3 S+ 0 0 70 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.774 109.9 70.5 -62.6 -25.7 -9.2 -19.1 12.4 100 102 A G T 3 S+ 0 0 60 13,-0.1 2,-0.3 2,-0.1 11,-0.3 0.498 107.6 24.8 -72.3 -3.5 -7.5 -19.9 15.7 101 103 A Q < + 0 0 56 -3,-1.5 -5,-0.7 12,-0.2 -3,-0.2 -0.962 65.7 100.7-152.6 166.1 -5.8 -16.5 16.0 102 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.024 53.1 106.1 145.4 -34.3 -6.2 -12.9 14.7 103 105 A S - 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