==== 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 12-JUL-06 2HNC . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.MENCHISE,A.DI FIORE,G.DE SIMONE . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11914.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.4 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 . 26 10.1 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 . 15 5.8 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 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 4 A H 0 0 199 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.6 9.8 0.2 8.6 2 5 A W + 0 0 46 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.164 360.0 133.8 -61.9 153.2 7.7 -1.5 11.2 3 6 A G - 0 0 7 5,-2.8 10,-0.1 2,-0.1 -1,-0.1 -0.750 64.3 -81.3-165.3-147.1 5.5 -4.4 10.4 4 7 A Y S S+ 0 0 37 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.224 82.6 111.8-125.7 12.9 4.5 -7.9 11.6 5 8 A G S > S- 0 0 40 4,-0.1 4,-1.4 1,-0.1 3,-0.3 -0.130 83.9 -95.1 -79.6 179.8 7.4 -9.9 10.4 6 9 A K T 4 S+ 0 0 181 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.786 124.0 36.4 -67.6 -28.1 10.2 -11.6 12.3 7 10 A H T 4 S+ 0 0 155 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.478 131.7 26.2-105.3 -2.3 12.6 -8.7 11.9 8 11 A N T 4 S+ 0 0 58 -3,-0.3 -5,-2.8 -6,-0.1 -2,-0.2 0.211 95.0 118.6-141.8 13.8 10.2 -5.8 12.1 9 12 A G S >X S- 0 0 2 -4,-1.4 3,-2.6 -5,-0.2 4,-1.0 0.052 83.4 -68.1 -75.2-174.8 7.3 -7.2 14.2 10 13 A P T 34 S+ 0 0 27 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.753 128.2 58.9 -44.5 -37.8 5.8 -6.2 17.6 11 14 A E T 34 S+ 0 0 140 1,-0.2 -5,-0.0 2,-0.1 -2,-0.0 0.580 108.7 46.7 -75.0 -6.3 8.9 -7.2 19.6 12 15 A H T X4 S+ 0 0 59 -3,-2.6 3,-1.9 1,-0.1 4,-0.4 0.636 86.8 87.4-104.5 -22.7 11.0 -4.8 17.6 13 16 A W G >X S+ 0 0 6 -4,-1.0 4,-2.5 1,-0.3 3,-0.9 0.762 73.5 70.9 -50.8 -34.5 8.7 -1.7 17.7 14 17 A H G 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.751 87.1 67.5 -58.4 -24.9 10.1 -0.4 21.0 15 18 A K G <4 S+ 0 0 132 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.907 116.8 22.1 -64.7 -41.7 13.4 0.6 19.3 16 19 A D T <4 S+ 0 0 121 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.694 136.4 38.4 -95.6 -22.5 11.7 3.3 17.2 17 20 A F >< - 0 0 53 -4,-2.5 3,-2.5 1,-0.1 -1,-0.2 -0.721 65.4-178.7-130.6 80.9 8.8 3.8 19.5 18 21 A P G > S+ 0 0 101 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 0.717 76.1 75.9 -51.6 -25.9 9.9 3.5 23.1 19 22 A I G > S+ 0 0 53 1,-0.3 3,-2.6 179,-0.2 -5,-0.1 0.620 70.3 89.6 -64.9 -8.7 6.4 4.0 24.4 20 23 A A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.745 90.8 44.7 -58.7 -23.0 5.9 0.4 23.3 21 24 A K G < S+ 0 0 142 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.2 -0.018 96.8 132.8-108.9 26.5 7.0 -0.6 26.8 22 25 A G S < S- 0 0 16 -3,-2.6 3,-0.5 1,-0.1 -3,-0.1 0.115 70.7-100.6 -70.3-175.4 4.8 2.1 28.4 23 26 A E S S+ 0 0 117 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.550 113.4 32.0 -86.5 -12.0 2.4 2.2 31.3 24 27 A R S S+ 0 0 46 224,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.294 79.7 156.2-143.7 56.8 -0.9 1.9 29.3 25 28 A Q - 0 0 2 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.507 32.7 -99.4 -85.5 152.1 -0.2 -0.1 26.2 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.892 78.7 39.6-125.5 157.1 -2.8 -2.1 24.2 27 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.570 66.1 177.6 -80.5-178.7 -4.1 -4.6 23.5 28 31 A V - 0 0 0 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.933 35.9-100.3-140.8 162.6 -4.4 -6.5 26.8 29 32 A D E -a 105 0A 32 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.720 34.1-138.9 -83.5 136.3 -5.9 -9.8 28.0 30 33 A I E -a 106 0A 0 75,-3.0 77,-2.2 -2,-0.4 2,-1.0 -0.871 10.1-158.5-100.0 104.9 -9.3 -9.2 29.5 31 34 A D >> - 0 0 61 -2,-0.8 4,-1.8 75,-0.2 3,-0.7 -0.762 5.7-161.3 -83.3 104.2 -9.5 -11.5 32.6 32 35 A T T 34 S+ 0 0 42 -2,-1.0 -1,-0.2 1,-0.2 222,-0.0 0.807 86.0 52.5 -59.2 -33.4 -13.3 -11.6 32.9 33 36 A H T 34 S+ 0 0 170 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.788 112.7 44.7 -75.3 -26.0 -13.3 -12.7 36.5 34 37 A T T <4 S+ 0 0 100 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.728 91.6 97.4 -88.3 -25.0 -11.0 -9.8 37.6 35 38 A A < - 0 0 17 -4,-1.8 2,-0.4 218,-0.1 218,-0.2 -0.382 68.0-145.5 -63.1 142.3 -13.0 -7.3 35.6 36 39 A K E -c 253 0B 137 216,-1.8 218,-2.5 -2,-0.0 -2,-0.1 -0.936 13.7-112.8-120.7 137.5 -15.4 -5.4 37.8 37 40 A Y E -c 254 0B 94 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.376 30.3-152.6 -61.0 137.0 -18.9 -4.0 37.1 38 41 A D > - 0 0 33 216,-2.4 3,-1.7 1,-0.1 -1,-0.1 -0.905 14.2-169.9-121.1 103.5 -18.8 -0.2 37.3 39 42 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.673 83.7 69.5 -62.9 -19.1 -22.1 1.5 38.2 40 43 A S T 3 S+ 0 0 86 2,-0.1 2,-0.2 40,-0.0 -2,-0.0 0.634 74.9 106.1 -76.2 -13.1 -20.7 4.9 37.3 41 44 A L < - 0 0 28 -3,-1.7 3,-0.1 213,-0.2 213,-0.0 -0.500 64.9-143.4 -69.5 131.0 -20.7 3.9 33.6 42 45 A K E -D 79 0B 141 37,-1.8 37,-0.5 -2,-0.2 39,-0.1 -0.456 39.2 -71.6 -88.4 165.0 -23.5 5.7 31.7 43 46 A P E - 0 0 116 0, 0.0 36,-0.7 0, 0.0 2,-0.3 -0.309 53.8-116.7 -57.5 139.5 -25.4 3.9 28.9 44 47 A L E -D 78 0B 22 34,-0.3 2,-0.5 -3,-0.1 34,-0.2 -0.641 28.2-157.5 -79.5 134.7 -23.2 3.5 25.8 45 48 A S E -D 77 0B 46 32,-3.3 32,-2.5 -2,-0.3 2,-0.7 -0.947 13.1-178.2-120.4 114.5 -24.6 5.4 22.8 46 49 A V E +D 76 0B 34 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.931 4.9 179.4-111.5 107.2 -23.6 4.4 19.2 47 50 A S E +D 75 0B 45 28,-2.8 28,-2.2 -2,-0.7 3,-0.2 -0.809 21.8 144.0-114.0 91.3 -25.1 6.8 16.7 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.4 26,-0.2 130,-0.2 0.222 36.4 106.0-109.1 11.4 -24.1 5.7 13.2 49 52 A D T 3 S+ 0 0 97 1,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.805 86.9 42.9 -63.4 -28.2 -27.3 6.6 11.3 50 53 A Q T 3 S+ 0 0 109 23,-0.3 24,-0.3 -3,-0.2 -1,-0.3 0.282 84.1 141.5 -99.5 8.9 -25.7 9.6 9.7 51 54 A A < - 0 0 20 -3,-1.4 2,-0.5 22,-0.2 18,-0.1 -0.227 34.3-162.2 -55.6 135.9 -22.4 7.9 8.9 52 55 A T - 0 0 45 16,-0.3 16,-2.8 122,-0.1 2,-0.1 -0.879 2.5-163.5-126.3 99.4 -20.8 8.9 5.6 53 56 A S E +E 67 0B 0 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.484 9.8 178.5 -78.1 152.2 -18.1 6.5 4.3 54 57 A L E - 0 0 76 12,-3.0 118,-2.3 1,-0.4 2,-0.3 0.714 52.3 -20.0-122.1 -45.1 -15.8 7.8 1.6 55 58 A R E -EF 66 171B 84 11,-0.8 11,-2.8 116,-0.3 -1,-0.4 -0.988 47.9-122.5-163.2 166.7 -13.2 5.3 0.6 56 59 A I E -EF 65 170B 0 114,-2.5 114,-2.1 -2,-0.3 2,-0.4 -0.953 28.0-168.3-119.6 137.9 -11.3 2.1 1.5 57 60 A L E -EF 64 169B 33 7,-2.1 7,-2.5 -2,-0.4 2,-0.8 -0.987 23.1-145.1-134.4 135.5 -7.5 2.1 1.7 58 61 A N E -E 63 0B 0 110,-2.9 109,-2.8 -2,-0.4 5,-0.2 -0.870 21.0-179.2 -93.5 109.7 -4.8 -0.7 1.9 59 62 A N - 0 0 46 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.277 52.0-102.2 -95.6 12.9 -2.2 1.1 4.1 60 63 A G S S+ 0 0 7 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.396 118.0 56.3 85.5 -5.3 0.2 -1.9 4.1 61 64 A H S S- 0 0 45 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.563 125.3 -35.9-125.2 -30.6 -0.7 -2.9 7.6 62 65 A A S S- 0 0 6 -5,-0.1 -3,-2.0 164,-0.1 -1,-0.6 -0.868 71.2 -85.6-170.2-166.9 -4.5 -3.4 7.2 63 66 A F E -E 58 0B 0 29,-0.3 2,-0.5 -2,-0.3 29,-0.4 -0.990 33.5-150.3-125.7 135.3 -7.3 -1.7 5.3 64 67 A N E -E 57 0B 23 -7,-2.5 -7,-2.1 -2,-0.4 2,-0.8 -0.896 7.6-153.8-107.3 130.5 -9.2 1.4 6.5 65 68 A V E -EG 56 90B 0 25,-2.9 25,-1.5 -2,-0.5 2,-0.3 -0.916 30.3-152.7 -99.2 110.4 -12.8 2.3 5.7 66 69 A E E -EG 55 89B 47 -11,-2.8 -12,-3.0 -2,-0.8 -11,-0.8 -0.624 10.3-158.8 -91.3 146.3 -12.7 6.1 6.0 67 70 A F E -E 53 0B 9 21,-2.5 2,-0.9 -14,-0.3 -14,-0.2 -0.848 29.4-104.9-121.3 156.1 -15.5 8.4 7.0 68 71 A D + 0 0 40 -16,-2.8 3,-0.3 -2,-0.3 -16,-0.3 -0.721 40.0 172.9 -80.0 108.1 -16.2 12.1 6.5 69 72 A D + 0 0 40 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 -0.068 45.8 107.0-107.8 31.5 -15.6 13.4 10.0 70 73 A S S S+ 0 0 82 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.552 86.0 33.3 -83.9 -8.4 -15.9 17.1 9.1 71 74 A Q S S- 0 0 112 -3,-0.3 2,-1.5 3,-0.0 3,-0.2 -0.928 97.8 -93.4-140.3 163.0 -19.3 17.2 10.8 72 75 A D S S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.623 77.0 119.1 -82.2 88.0 -21.0 15.5 13.8 73 76 A K + 0 0 53 -2,-1.5 2,-0.8 1,-0.3 -23,-0.3 0.680 67.3 33.3-111.0 -82.4 -22.6 12.6 12.1 74 77 A A S S+ 0 0 6 -24,-0.3 13,-2.6 -3,-0.2 -1,-0.3 -0.709 81.8 166.0 -82.6 111.2 -21.5 9.1 13.3 75 78 A V E -DH 47 86B 15 -28,-2.2 -28,-2.8 -2,-0.8 2,-0.4 -0.930 34.0-147.3-133.0 155.2 -20.6 9.5 17.0 76 79 A L E +DH 46 85B 0 9,-3.0 9,-2.3 -2,-0.3 2,-0.3 -0.965 31.6 157.8-117.4 132.1 -19.9 7.4 20.1 77 80 A K E +D 45 0B 79 -32,-2.5 -32,-3.3 -2,-0.4 7,-0.1 -0.898 33.5 32.0-145.5 171.7 -21.0 8.8 23.5 78 81 A G E > S+D 44 0B 15 5,-0.5 3,-2.1 3,-0.3 -34,-0.3 -0.252 72.5 82.5 75.9-163.4 -21.8 7.6 27.0 79 82 A G E 3 S-D 42 0B 5 -36,-0.7 -37,-1.8 -37,-0.5 -1,-0.1 -0.465 121.8 -21.4 64.0-131.5 -20.2 4.6 28.7 80 83 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.507 116.3 111.3 -86.3 -3.9 -16.9 5.7 30.2 81 84 A L < - 0 0 9 -3,-2.1 2,-0.6 -39,-0.1 -3,-0.3 -0.466 54.4-156.3 -81.1 141.0 -16.8 8.6 27.8 82 85 A D - 0 0 124 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.962 68.1 -8.7-111.8 119.8 -17.1 12.3 28.6 83 86 A G S S- 0 0 44 -2,-0.6 -5,-0.5 39,-0.1 2,-0.4 -0.503 102.0 -42.8 94.1-163.1 -18.3 14.3 25.6 84 87 A T - 0 0 31 -2,-0.2 38,-2.5 -7,-0.1 2,-0.5 -0.900 42.0-160.9-114.2 136.0 -18.7 13.2 22.0 85 88 A Y E -HI 76 121B 3 -9,-2.3 -9,-3.0 -2,-0.4 2,-0.4 -0.962 15.1-143.0-115.8 130.0 -16.3 11.1 19.9 86 89 A R E -HI 75 120B 31 34,-2.8 34,-2.0 -2,-0.5 2,-0.2 -0.786 16.6-118.5 -99.8 132.1 -16.5 11.2 16.2 87 90 A L E + I 0 119B 3 -13,-2.6 32,-0.3 -2,-0.4 -13,-0.2 -0.470 37.1 165.0 -67.4 127.1 -16.0 8.2 13.9 88 91 A I E - 0 0 37 30,-2.9 -21,-2.5 1,-0.4 2,-0.3 0.696 60.3 -27.6-112.9 -33.1 -13.1 8.6 11.5 89 92 A Q E -GI 66 118B 34 29,-1.3 29,-2.9 -23,-0.2 -1,-0.4 -0.983 46.9-143.1-172.3 165.4 -12.4 5.1 10.3 90 93 A F E +GI 65 117B 0 -25,-1.5 -25,-2.9 -2,-0.3 2,-0.3 -0.975 22.2 161.4-140.0 153.9 -12.6 1.4 11.0 91 94 A H E - I 0 116B 23 25,-1.6 25,-3.3 -2,-0.3 2,-0.3 -0.917 24.2-124.6-156.5 177.5 -10.3 -1.5 10.2 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.3 -0.831 0.7-148.5-130.7 168.6 -9.6 -5.1 11.3 93 96 A H E + I 0 114B 2 21,-1.5 21,-2.2 -2,-0.3 2,-0.3 -0.984 31.3 166.9-133.3 136.4 -6.8 -7.2 12.5 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.7 -0.939 24.1-119.2-149.0 171.1 -6.8 -10.9 11.6 95 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.7 3,-0.1 -0.439 26.0-114.3-109.3-177.2 -4.8 -14.1 11.5 96 99 A S S S+ 0 0 35 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.623 106.0 29.8 -87.0 -16.7 -3.5 -16.7 9.1 97 100 A L S > S- 0 0 98 3,-0.2 3,-1.4 15,-0.1 -2,-0.2 -0.921 89.7-109.1-137.1 160.6 -5.8 -19.3 10.8 98 101 A D T 3 S+ 0 0 71 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.739 110.2 69.8 -64.7 -22.4 -9.1 -19.1 12.5 99 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.419 106.9 27.8 -78.1 2.4 -7.5 -19.8 15.9 100 103 A Q < + 0 0 59 -3,-1.4 -5,-0.7 12,-0.1 -3,-0.2 -0.973 66.2 98.4-154.4 163.3 -5.7 -16.4 16.1 101 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.026 54.0 104.5 146.1 -35.3 -6.1 -12.9 14.8 102 105 A S - 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