==== 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 2POW . 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) . 11927.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 62.6 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 21.8 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 . 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 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 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.9 9.6 0.4 8.4 2 5 A W + 0 0 38 1,-0.1 2,-0.2 2,-0.1 7,-0.2 -0.290 360.0 138.9 -65.9 152.4 7.6 -1.3 11.3 3 6 A G - 0 0 9 5,-2.6 10,-0.1 2,-0.2 -1,-0.1 -0.712 62.1 -84.0-160.9-147.4 5.5 -4.3 10.4 4 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.141 82.4 111.4-127.3 17.1 4.5 -7.7 11.7 5 8 A G S > S- 0 0 39 4,-0.1 4,-1.7 1,-0.1 3,-0.5 -0.260 84.7 -94.8 -85.3 177.5 7.4 -9.8 10.4 6 9 A K T 4 S+ 0 0 185 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.828 123.8 36.8 -61.6 -33.7 10.1 -11.5 12.3 7 10 A H T 4 S+ 0 0 161 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.496 131.3 25.4-101.3 -3.3 12.5 -8.5 11.9 8 11 A N T 4 S+ 0 0 60 -3,-0.5 -5,-2.6 -6,-0.1 -2,-0.2 0.259 96.0 117.5-139.9 10.2 10.1 -5.6 12.2 9 12 A G S >X S- 0 0 2 -4,-1.7 3,-2.7 -5,-0.2 4,-1.1 0.110 83.8 -67.0 -73.1-173.9 7.3 -7.0 14.2 10 13 A P T 34 S+ 0 0 27 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.743 128.7 58.3 -43.5 -38.5 5.8 -6.2 17.7 11 14 A E T 34 S+ 0 0 143 1,-0.2 -2,-0.1 2,-0.1 -5,-0.0 0.592 110.1 45.2 -74.3 -9.1 9.0 -7.3 19.6 12 15 A H T X4 S+ 0 0 58 -3,-2.7 3,-1.9 1,-0.1 4,-0.5 0.657 87.6 87.2-103.8 -24.5 11.0 -4.7 17.6 13 16 A W G >X S+ 0 0 7 -4,-1.1 4,-2.6 1,-0.3 3,-0.7 0.757 73.7 71.6 -49.0 -34.0 8.7 -1.7 17.8 14 17 A H G 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.751 87.3 65.5 -59.0 -25.1 10.1 -0.4 21.1 15 18 A K G <4 S+ 0 0 130 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.920 116.7 24.7 -65.7 -43.2 13.3 0.6 19.4 16 19 A D T <4 S+ 0 0 133 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.730 135.6 37.9 -90.5 -24.2 11.6 3.3 17.3 17 20 A F >< - 0 0 55 -4,-2.6 3,-2.4 1,-0.1 -1,-0.2 -0.748 64.4-178.4-131.0 83.5 8.7 3.8 19.8 18 21 A P G > S+ 0 0 98 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.748 77.6 75.3 -50.9 -30.0 9.9 3.5 23.4 19 22 A I G > S+ 0 0 61 1,-0.3 3,-2.7 179,-0.2 -5,-0.1 0.643 70.7 88.9 -61.6 -12.1 6.4 3.9 24.6 20 23 A A G < S+ 0 0 6 -3,-2.4 -1,-0.3 1,-0.3 -6,-0.1 0.768 91.4 44.1 -56.6 -25.4 5.9 0.3 23.5 21 24 A K G < S+ 0 0 147 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.041 96.5 131.4-106.8 24.1 7.0 -0.7 27.0 22 25 A G S < S- 0 0 13 -3,-2.7 3,-0.4 1,-0.1 -3,-0.0 0.154 71.3 -99.8 -68.8-173.8 4.8 2.0 28.6 23 26 A E S S+ 0 0 118 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.554 112.9 33.7 -88.3 -11.3 2.4 1.9 31.5 24 27 A R S S+ 0 0 47 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.280 79.7 155.4-142.0 56.5 -0.9 1.8 29.5 25 28 A Q - 0 0 2 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.490 32.5 -99.2 -86.0 153.5 -0.2 -0.2 26.4 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.898 78.8 38.8-127.5 156.2 -2.8 -2.2 24.3 27 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.578 65.9 175.3 -80.4-178.9 -4.0 -4.8 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.920 36.7 -98.8-141.0 164.6 -4.4 -6.7 26.9 29 32 A D E -a 105 0A 34 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.745 33.9-137.7 -86.5 135.2 -5.9 -10.0 28.0 30 33 A I E -a 106 0A 0 75,-3.3 77,-2.2 -2,-0.4 2,-1.1 -0.844 10.8-158.9 -98.2 104.4 -9.3 -9.5 29.5 31 34 A D >> - 0 0 67 -2,-0.9 4,-1.7 75,-0.2 3,-1.3 -0.747 4.1-161.9 -83.4 100.8 -9.6 -11.7 32.6 32 35 A T T 34 S+ 0 0 45 -2,-1.1 -1,-0.2 1,-0.3 222,-0.0 0.679 86.9 53.9 -59.1 -22.1 -13.4 -11.9 32.9 33 36 A H T 34 S+ 0 0 164 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.682 112.7 42.3 -87.3 -18.8 -13.2 -13.0 36.6 34 37 A T T <4 S+ 0 0 94 -3,-1.3 -2,-0.2 2,-0.1 2,-0.2 0.633 89.9 101.2 -99.7 -19.1 -11.0 -10.1 37.6 35 38 A A < - 0 0 18 -4,-1.7 2,-0.4 218,-0.1 218,-0.2 -0.470 68.6-139.7 -66.6 136.1 -12.9 -7.5 35.6 36 39 A K E -c 253 0B 122 216,-1.8 218,-2.8 -2,-0.2 2,-0.2 -0.851 10.6-118.9-106.8 134.5 -15.2 -5.5 38.0 37 40 A Y E -c 254 0B 88 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.473 30.3-154.2 -65.3 134.2 -18.8 -4.5 37.2 38 41 A D > - 0 0 29 216,-2.6 3,-1.0 -2,-0.2 -1,-0.1 -0.939 18.6-173.3-119.7 112.0 -18.9 -0.7 37.4 39 42 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.658 82.9 70.6 -74.7 -16.3 -22.3 1.1 38.2 40 43 A S T 3 S+ 0 0 88 2,-0.1 2,-0.4 40,-0.0 -2,-0.0 0.614 75.4 106.0 -75.7 -11.4 -20.8 4.5 37.6 41 44 A L < - 0 0 30 -3,-1.0 3,-0.1 213,-0.2 38,-0.0 -0.555 65.8-143.3 -72.9 126.4 -20.7 3.6 33.9 42 45 A K - 0 0 135 37,-1.7 37,-0.2 -2,-0.4 39,-0.1 -0.403 38.0 -72.6 -83.7 164.4 -23.4 5.5 32.0 43 46 A P - 0 0 117 0, 0.0 36,-1.2 0, 0.0 2,-0.3 -0.282 51.4-116.2 -58.4 141.2 -25.2 3.8 29.0 44 47 A L E -D 78 0B 23 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.633 27.4-157.4 -80.7 135.8 -23.2 3.4 25.9 45 48 A S E -D 77 0B 46 32,-3.3 32,-2.5 -2,-0.3 2,-0.7 -0.928 13.2-179.3-122.3 110.8 -24.4 5.4 22.9 46 49 A V E +D 76 0B 35 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.906 4.4 178.2-109.4 105.6 -23.5 4.4 19.3 47 50 A S E +D 75 0B 41 28,-2.6 28,-2.1 -2,-0.7 3,-0.2 -0.802 21.9 143.4-112.0 90.5 -25.1 6.8 16.8 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.9 26,-0.2 130,-0.2 0.298 35.7 108.0-107.3 6.3 -24.0 5.8 13.3 49 52 A D T 3 S+ 0 0 85 1,-0.3 -1,-0.1 24,-0.1 25,-0.1 0.800 87.0 40.2 -56.0 -30.9 -27.2 6.6 11.4 50 53 A Q T 3 S+ 0 0 116 23,-0.3 24,-0.3 -3,-0.2 -1,-0.3 0.209 84.0 142.9-104.0 15.4 -25.7 9.6 9.7 51 54 A A < - 0 0 22 -3,-1.9 2,-0.5 22,-0.3 18,-0.1 -0.268 34.6-159.4 -58.8 137.5 -22.3 8.0 9.1 52 55 A T - 0 0 45 16,-0.3 16,-2.6 122,-0.1 2,-0.1 -0.876 3.8-161.3-124.9 99.2 -20.7 9.0 5.8 53 56 A S E -E 67 0B 0 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.437 10.0-179.8 -75.7 152.7 -18.0 6.6 4.5 54 57 A L E - 0 0 72 12,-3.0 118,-2.3 1,-0.4 2,-0.3 0.729 51.9 -27.3-118.9 -52.9 -15.6 7.9 1.8 55 58 A R E -EF 66 171B 85 11,-0.7 11,-2.9 116,-0.3 2,-0.4 -0.986 46.5-119.0-162.9 167.9 -13.1 5.3 0.8 56 59 A I E -EF 65 170B 0 114,-2.7 114,-2.2 -2,-0.3 2,-0.4 -0.946 28.6-168.2-118.4 136.3 -11.2 2.2 1.7 57 60 A L E -EF 64 169B 35 7,-2.5 7,-2.6 -2,-0.4 2,-0.8 -0.982 22.5-143.8-132.0 137.7 -7.4 2.1 1.7 58 61 A N E -E 63 0B 0 110,-2.8 109,-2.8 -2,-0.4 5,-0.2 -0.881 20.9-176.7 -94.3 111.7 -4.7 -0.7 2.0 59 62 A N - 0 0 29 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.242 52.4 -95.9 -96.6 13.4 -2.0 1.0 4.1 60 63 A G S S+ 0 0 13 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.311 119.0 44.6 94.5 -13.5 0.5 -1.8 4.0 61 64 A H S S- 0 0 39 1,-0.5 2,-0.2 -58,-0.1 166,-0.1 0.493 127.1 -22.9-134.0 -19.5 -0.5 -3.5 7.2 62 65 A A S S- 0 0 2 165,-0.1 -3,-2.0 164,-0.1 -1,-0.5 -0.865 73.1 -90.8-167.8-166.3 -4.3 -3.5 7.2 63 66 A F E -E 58 0B 0 29,-0.3 2,-0.5 -2,-0.2 29,-0.4 -0.994 27.0-149.8-131.3 138.2 -7.1 -1.6 5.4 64 67 A N E -E 57 0B 27 -7,-2.6 -7,-2.5 -2,-0.4 2,-0.8 -0.901 5.4-155.8-109.1 131.7 -8.9 1.5 6.6 65 68 A V E -EG 56 90B 0 25,-2.6 25,-1.7 -2,-0.5 2,-0.3 -0.933 29.1-152.5-101.4 111.9 -12.5 2.4 5.8 66 69 A E E -EG 55 89B 46 -11,-2.9 -12,-3.0 -2,-0.8 -11,-0.7 -0.622 10.7-160.5 -92.4 148.0 -12.5 6.2 6.2 67 70 A F E -E 53 0B 8 21,-2.5 2,-0.8 -14,-0.3 -14,-0.2 -0.852 29.5-104.0-124.0 158.8 -15.4 8.4 7.1 68 71 A D + 0 0 39 -16,-2.6 -16,-0.3 -2,-0.3 6,-0.3 -0.746 39.4 171.8 -83.4 110.0 -16.1 12.1 6.8 69 72 A D + 0 0 38 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.103 44.2 109.6-110.7 33.4 -15.6 13.5 10.3 70 73 A S S S+ 0 0 79 2,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.433 87.3 27.2 -85.9 -0.1 -15.9 17.2 9.4 71 74 A Q S S- 0 0 115 -3,-0.3 2,-1.4 3,-0.1 3,-0.2 -0.962 98.7 -88.1-152.4 162.7 -19.2 17.2 11.2 72 75 A D S S+ 0 0 93 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.633 76.9 120.1 -80.3 93.0 -20.9 15.4 14.1 73 76 A K S S+ 0 0 58 -2,-1.4 2,-0.8 1,-0.4 -23,-0.3 0.614 70.1 31.1-114.1 -82.9 -22.5 12.5 12.2 74 77 A A S S+ 0 0 6 -24,-0.3 13,-2.6 -6,-0.3 -1,-0.4 -0.727 83.6 165.8 -83.4 112.2 -21.3 9.1 13.4 75 78 A V E -DH 47 86B 14 -28,-2.1 -28,-2.6 -2,-0.8 2,-0.4 -0.949 33.2-147.3-134.1 154.1 -20.5 9.5 17.1 76 79 A L E +DH 46 85B 0 9,-2.9 9,-2.0 -2,-0.3 2,-0.3 -0.965 31.5 156.2-117.8 130.2 -19.8 7.5 20.2 77 80 A K E +D 45 0B 88 -32,-2.5 -32,-3.3 -2,-0.4 7,-0.1 -0.871 33.6 31.7-143.5 175.6 -20.9 8.8 23.6 78 81 A G E > S+D 44 0B 18 5,-0.4 3,-2.3 3,-0.3 -34,-0.3 -0.247 72.9 83.7 72.4-159.8 -21.8 7.6 27.1 79 82 A G T 3 S- 0 0 4 -36,-1.2 -37,-1.7 1,-0.3 -1,-0.1 -0.436 121.6 -22.0 61.8-129.4 -20.3 4.5 28.8 80 83 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.435 116.6 111.1 -90.6 1.1 -17.0 5.6 30.4 81 84 A L < - 0 0 8 -3,-2.3 2,-0.5 -39,-0.1 -3,-0.3 -0.517 53.6-157.2 -85.5 143.9 -16.8 8.5 28.0 82 85 A D - 0 0 123 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.975 67.3 -6.9-114.9 121.1 -17.1 12.2 28.7 83 86 A G S S- 0 0 48 -2,-0.5 2,-0.4 39,-0.1 -5,-0.4 -0.503 101.2 -42.9 94.3-163.6 -18.1 14.3 25.8 84 87 A T - 0 0 28 -2,-0.2 38,-2.6 -7,-0.1 2,-0.5 -0.918 41.5-161.8-115.7 133.5 -18.5 13.3 22.1 85 88 A Y E -HI 76 121B 4 -9,-2.0 -9,-2.9 -2,-0.4 2,-0.4 -0.955 14.7-143.9-114.8 124.6 -16.2 11.1 20.1 86 89 A R E -HI 75 120B 31 34,-2.9 34,-2.2 -2,-0.5 2,-0.3 -0.736 17.2-119.8 -93.6 130.3 -16.4 11.3 16.3 87 90 A L E + I 0 119B 2 -13,-2.6 32,-0.3 -2,-0.4 -13,-0.2 -0.493 38.0 165.1 -67.1 124.2 -15.9 8.2 14.1 88 91 A I E - 0 0 33 30,-2.7 -21,-2.5 1,-0.4 2,-0.3 0.720 59.3 -26.7-110.5 -33.2 -13.0 8.7 11.7 89 92 A Q E -GI 66 118B 35 29,-1.3 29,-2.8 -23,-0.2 -1,-0.4 -0.986 47.0-143.7-171.7 165.7 -12.3 5.2 10.5 90 93 A F E +GI 65 117B 0 -25,-1.7 -25,-2.6 -2,-0.3 2,-0.3 -0.975 21.3 162.3-140.3 154.3 -12.4 1.5 11.1 91 94 A H E - I 0 116B 24 25,-1.8 25,-3.1 -2,-0.3 2,-0.3 -0.915 24.1-123.0-156.3 178.3 -10.1 -1.4 10.3 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.3 -0.853 1.0-149.4-131.4 165.9 -9.5 -5.0 11.3 93 96 A H E + I 0 114B 2 21,-1.6 21,-2.3 -2,-0.3 2,-0.3 -0.989 32.1 167.1-131.3 132.4 -6.7 -7.2 12.7 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.8 -0.938 23.7-122.3-145.9 170.0 -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 -0.411 25.1-116.4-108.7-176.0 -4.9 -14.1 11.5 96 99 A S S S+ 0 0 41 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.616 105.5 32.8 -89.9 -17.2 -3.6 -16.7 9.1 97 100 A L S > S- 0 0 109 3,-0.2 3,-1.7 15,-0.1 -2,-0.2 -0.940 88.7-111.8-136.9 156.2 -5.8 -19.2 10.9 98 101 A D T 3 S+ 0 0 77 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.753 110.4 67.9 -61.3 -24.6 -9.2 -19.1 12.6 99 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.423 107.6 30.8 -78.3 3.0 -7.5 -19.7 16.0 100 103 A Q < + 0 0 52 -3,-1.7 -5,-0.7 12,-0.1 -3,-0.2 -0.974 66.2 95.0-153.0 163.4 -5.7 -16.4 16.1 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.002 56.1 103.9 143.7 -35.4 -6.1 -12.8 14.8 102 105 A S - 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