==== 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 10-JAN-06 2FMZ . 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) . 11712.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.2 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 . 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 . 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 . 0 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 0 183 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.8 9.7 0.3 8.4 2 5 A W + 0 0 20 1,-0.1 2,-0.2 2,-0.1 7,-0.2 -0.327 360.0 139.8 -68.4 153.3 7.7 -1.2 11.1 3 6 A G - 0 0 11 5,-2.8 10,-0.1 2,-0.2 -1,-0.1 -0.733 61.3 -85.1-161.8-149.3 5.5 -4.3 10.3 4 7 A Y S S+ 0 0 36 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.236 82.3 110.1-124.9 11.8 4.5 -7.7 11.7 5 8 A G S > S- 0 0 39 4,-0.1 4,-2.0 1,-0.1 3,-0.4 -0.199 84.6 -94.2 -83.5 176.8 7.4 -9.8 10.5 6 9 A K T 4 S+ 0 0 176 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.818 124.4 35.3 -59.5 -34.7 10.2 -11.5 12.4 7 10 A H T 4 S+ 0 0 168 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.537 132.7 25.4-100.5 -7.2 12.6 -8.5 11.9 8 11 A N T 4 S+ 0 0 61 -3,-0.4 -5,-2.8 -6,-0.1 -2,-0.2 0.258 95.1 116.3-137.8 11.6 10.2 -5.6 12.1 9 12 A G S >X S- 0 0 3 -4,-2.0 3,-2.8 -5,-0.2 4,-0.9 0.057 84.7 -67.9 -75.5-174.6 7.3 -7.0 14.1 10 13 A P T 34 S+ 0 0 30 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.742 127.8 60.7 -44.4 -35.4 5.8 -6.0 17.6 11 14 A E T 34 S+ 0 0 160 1,-0.2 -5,-0.1 2,-0.1 -7,-0.0 0.615 109.0 44.7 -73.7 -9.8 8.9 -7.1 19.5 12 15 A H T X> S+ 0 0 59 -3,-2.8 3,-1.7 1,-0.1 4,-0.5 0.600 88.0 88.6-104.7 -18.7 11.0 -4.6 17.5 13 16 A W H >X S+ 0 0 5 -4,-0.9 4,-2.6 1,-0.3 3,-0.6 0.776 73.0 70.3 -53.0 -34.9 8.7 -1.6 17.8 14 17 A H H 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.748 88.7 66.0 -58.2 -24.9 10.1 -0.3 21.1 15 18 A K H <4 S+ 0 0 130 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.934 116.5 23.7 -65.2 -46.3 13.3 0.7 19.3 16 19 A D H << S+ 0 0 127 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.737 136.5 37.8 -89.1 -24.2 11.7 3.4 17.1 17 20 A F >< - 0 0 56 -4,-2.6 3,-2.5 1,-0.1 -1,-0.2 -0.709 65.7-177.3-130.5 80.9 8.7 3.9 19.5 18 21 A P G > S+ 0 0 98 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.732 77.2 74.5 -46.9 -31.0 10.0 3.6 23.2 19 22 A I G > S+ 0 0 57 1,-0.3 3,-2.6 2,-0.2 5,-0.2 0.600 70.3 89.3 -63.8 -9.0 6.4 4.0 24.5 20 23 A A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.738 91.1 45.5 -59.8 -22.1 5.8 0.4 23.3 21 24 A K G < S+ 0 0 134 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.021 96.7 131.3-107.9 24.4 7.0 -0.5 26.8 22 25 A G S < S- 0 0 14 -3,-2.6 3,-0.4 1,-0.1 -3,-0.0 0.138 71.3-101.9 -69.3-174.5 4.8 2.2 28.4 23 26 A E S S+ 0 0 120 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.560 112.8 34.5 -88.9 -13.0 2.3 2.1 31.3 24 27 A R S S+ 0 0 45 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.297 79.9 153.7-140.2 56.0 -0.9 2.0 29.3 25 28 A Q - 0 0 2 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.518 33.2-100.8 -86.5 152.7 -0.2 -0.0 26.2 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.890 77.8 40.3-127.7 157.5 -2.8 -2.0 24.2 27 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.570 66.0 175.9 -79.0-177.9 -4.0 -4.6 23.5 28 31 A V - 0 0 0 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.929 36.4 -99.6-142.4 164.7 -4.4 -6.5 26.8 29 32 A D E -a 105 0A 25 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.748 33.6-138.7 -86.8 135.8 -5.9 -9.7 28.0 30 33 A I E -a 106 0A 0 75,-3.3 77,-2.3 -2,-0.4 2,-1.1 -0.852 10.9-158.7 -98.2 104.7 -9.3 -9.2 29.5 31 34 A D >> - 0 0 63 -2,-0.9 4,-1.7 75,-0.2 3,-1.6 -0.763 3.9-159.8 -85.3 104.7 -9.5 -11.4 32.6 32 35 A T T 34 S+ 0 0 41 -2,-1.1 -1,-0.2 1,-0.3 222,-0.0 0.778 87.7 52.6 -56.4 -31.4 -13.3 -11.7 33.0 33 36 A H T 34 S+ 0 0 168 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.580 111.7 45.9 -83.5 -9.6 -13.0 -12.7 36.7 34 37 A T T <4 S+ 0 0 103 -3,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.663 92.4 93.0-101.7 -24.2 -10.8 -9.7 37.6 35 38 A A < - 0 0 18 -4,-1.7 2,-0.4 218,-0.1 218,-0.2 -0.459 68.6-146.2 -69.5 142.2 -12.9 -7.1 35.7 36 39 A K E -c 253 0B 136 216,-1.5 218,-2.4 -2,-0.1 2,-0.1 -0.918 16.2-110.0-119.3 139.8 -15.5 -5.5 37.9 37 40 A Y E -c 254 0B 97 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.399 32.4-149.3 -60.9 134.8 -18.9 -4.2 37.2 38 41 A D > - 0 0 23 216,-2.5 3,-1.4 1,-0.1 -1,-0.1 -0.901 15.6-171.3-116.0 105.5 -18.9 -0.4 37.3 39 42 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.737 84.2 66.2 -64.3 -23.3 -22.2 1.3 38.4 40 43 A S T 3 S+ 0 0 85 2,-0.0 2,-0.2 40,-0.0 -2,-0.0 0.642 75.4 109.2 -75.2 -13.4 -20.9 4.7 37.5 41 44 A L < - 0 0 30 -3,-1.4 3,-0.1 213,-0.2 38,-0.0 -0.468 63.5-141.9 -67.7 128.2 -20.8 3.8 33.8 42 45 A K - 0 0 122 37,-1.6 39,-0.1 -2,-0.2 37,-0.1 -0.357 37.5 -73.2 -83.3 167.0 -23.4 5.7 31.8 43 46 A P - 0 0 117 0, 0.0 36,-0.9 0, 0.0 2,-0.3 -0.360 52.2-116.3 -62.5 140.6 -25.4 4.1 28.9 44 47 A L E -D 78 0B 25 34,-0.3 2,-0.6 -3,-0.1 34,-0.2 -0.629 26.9-157.4 -79.7 134.3 -23.3 3.6 25.8 45 48 A S E +D 77 0B 27 32,-3.1 32,-2.2 -2,-0.3 2,-0.7 -0.940 13.7 179.4-118.8 111.5 -24.5 5.6 22.8 46 49 A V E +D 76 0B 35 -2,-0.6 2,-0.8 30,-0.2 30,-0.2 -0.914 5.6 178.5-111.4 103.0 -23.5 4.5 19.3 47 50 A S E +D 75 0B 39 28,-2.6 28,-1.9 -2,-0.7 3,-0.2 -0.781 21.3 144.5-110.3 88.4 -25.1 6.9 16.8 48 51 A Y > + 0 0 3 -2,-0.8 3,-1.5 26,-0.2 130,-0.2 0.234 35.2 108.7-106.3 11.4 -24.1 5.8 13.3 49 52 A D T 3 S+ 0 0 89 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.838 86.5 39.1 -58.3 -35.4 -27.3 6.7 11.4 50 53 A Q T 3 S+ 0 0 127 23,-1.0 -1,-0.3 -3,-0.2 24,-0.2 0.248 84.5 144.7 -99.6 13.4 -25.8 9.7 9.6 51 54 A A < - 0 0 20 -3,-1.5 2,-0.5 22,-0.2 18,-0.1 -0.199 33.8-159.3 -54.6 138.7 -22.4 8.0 9.0 52 55 A T - 0 0 46 16,-0.3 16,-2.8 122,-0.1 2,-0.1 -0.861 4.0-164.8-127.4 96.9 -20.8 9.0 5.7 53 56 A S E +E 67 0B 0 -2,-0.5 121,-0.7 122,-0.4 14,-0.3 -0.437 12.2 172.4 -75.5 154.1 -18.1 6.6 4.4 54 57 A L E - 0 0 77 12,-2.9 118,-2.0 1,-0.4 2,-0.3 0.653 51.7 -2.2-131.5 -40.8 -15.9 7.9 1.6 55 58 A R E -EF 66 171B 84 11,-0.9 11,-3.2 116,-0.3 2,-0.4 -0.992 46.6-137.6-156.8 159.2 -13.0 5.6 0.8 56 59 A I E -EF 65 170B 0 114,-2.3 114,-1.9 -2,-0.3 2,-0.4 -0.986 26.7-168.6-123.1 132.4 -11.3 2.3 1.6 57 60 A L E -EF 64 169B 33 7,-2.3 7,-2.4 -2,-0.4 2,-0.9 -0.972 24.4-145.8-130.0 136.0 -7.5 2.2 1.7 58 61 A N E +E 63 0B 0 110,-2.8 109,-2.7 -2,-0.4 5,-0.2 -0.867 22.4 179.8 -93.8 107.8 -4.8 -0.5 1.9 59 62 A N - 0 0 36 3,-2.0 4,-0.1 -2,-0.9 -1,-0.1 0.240 53.5 -97.6 -96.1 13.6 -2.1 1.2 4.0 60 63 A G S S+ 0 0 9 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.388 118.9 48.7 89.9 -6.3 0.3 -1.7 4.0 61 64 A H S S- 0 0 16 1,-0.6 2,-0.3 -58,-0.1 166,-0.1 0.394 125.5 -25.8-140.6 -6.9 -0.7 -3.1 7.4 62 65 A A S S- 0 0 0 164,-0.1 -3,-2.0 165,-0.1 -1,-0.6 -0.937 71.1 -90.4 177.1-174.6 -4.5 -3.2 7.2 63 66 A F E -E 58 0B 0 -2,-0.3 2,-0.5 29,-0.2 29,-0.4 -0.989 31.2-149.3-124.6 134.0 -7.3 -1.5 5.3 64 67 A N E -E 57 0B 6 -7,-2.4 -7,-2.3 -2,-0.4 2,-0.8 -0.874 5.9-153.5-104.0 130.7 -9.1 1.6 6.5 65 68 A V E -EG 56 90B 0 25,-2.9 25,-1.8 -2,-0.5 2,-0.3 -0.917 30.2-151.3 -99.6 110.6 -12.7 2.4 5.8 66 69 A E E -EG 55 89B 46 -11,-3.2 -12,-2.9 -2,-0.8 -11,-0.9 -0.613 11.5-159.8 -91.6 146.2 -12.7 6.2 6.1 67 70 A F E -E 53 0B 9 21,-2.3 2,-0.9 -14,-0.3 -14,-0.2 -0.848 28.9-105.8-122.7 156.4 -15.5 8.5 7.1 68 71 A D + 0 0 37 -16,-2.8 -16,-0.3 -2,-0.3 3,-0.3 -0.729 40.0 171.5 -81.5 108.3 -16.3 12.2 6.6 69 72 A D + 0 0 42 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 -0.095 42.7 110.7-110.7 33.6 -15.7 13.6 10.1 70 73 A S S S+ 0 0 80 1,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.504 91.2 18.0 -82.7 -3.9 -16.0 17.3 9.3 71 74 A Q S S- 0 0 118 -3,-0.3 2,-1.5 3,-0.0 3,-0.4 -0.954 100.8 -81.8-155.3 165.9 -19.2 17.2 11.3 72 75 A D S S+ 0 0 86 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.606 72.9 130.7 -78.2 90.1 -20.9 15.0 13.9 73 76 A K S S+ 0 0 53 -2,-1.5 -23,-1.0 1,-0.3 2,-0.4 0.686 76.3 23.6-109.3 -34.0 -22.5 12.4 11.6 74 77 A A S S+ 0 0 6 -3,-0.4 13,-2.9 -24,-0.2 -1,-0.3 -0.930 83.1 168.5-136.7 107.6 -21.3 9.2 13.3 75 78 A V E -DH 47 86B 16 -28,-1.9 -28,-2.6 -2,-0.4 2,-0.4 -0.894 28.2-151.9-129.3 157.0 -20.6 9.6 17.0 76 79 A L E +DH 46 85B 0 9,-2.7 9,-2.1 -2,-0.3 2,-0.3 -0.979 31.7 147.6-122.4 132.3 -19.9 7.6 20.1 77 80 A K E +D 45 0B 84 -32,-2.2 -32,-3.1 -2,-0.4 7,-0.1 -0.897 32.7 45.2-151.7 178.6 -20.7 8.9 23.5 78 81 A G E > S+D 44 0B 17 5,-0.5 3,-2.2 3,-0.3 -34,-0.3 -0.277 73.5 77.4 76.8-164.4 -21.9 7.7 27.0 79 82 A G T 3 S- 0 0 3 -36,-0.9 -37,-1.6 1,-0.3 -1,-0.2 -0.405 123.1 -19.8 61.3-132.2 -20.3 4.7 28.8 80 83 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.495 116.6 109.2 -85.4 -1.4 -17.0 5.8 30.3 81 84 A L < - 0 0 9 -3,-2.2 2,-0.6 -39,-0.1 -3,-0.3 -0.508 55.4-155.7 -84.9 143.0 -16.8 8.7 27.9 82 85 A D - 0 0 116 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.965 67.7 -10.4-112.1 119.7 -17.1 12.4 28.7 83 86 A G S S- 0 0 49 -2,-0.6 -5,-0.5 38,-0.1 2,-0.4 -0.523 100.0 -39.5 95.7-160.6 -18.2 14.4 25.6 84 87 A T - 0 0 42 -2,-0.2 38,-2.5 -7,-0.1 2,-0.5 -0.924 41.9-164.6-116.8 133.2 -18.6 13.4 22.0 85 88 A Y E -HI 76 121B 4 -9,-2.1 -9,-2.7 -2,-0.4 2,-0.4 -0.968 14.6-142.9-117.9 128.0 -16.2 11.3 19.9 86 89 A R E -HI 75 120B 43 34,-2.8 34,-2.0 -2,-0.5 2,-0.3 -0.753 17.4-118.9 -95.3 133.6 -16.4 11.3 16.1 87 90 A L E + I 0 119B 3 -13,-2.9 32,-0.3 -2,-0.4 -13,-0.2 -0.490 37.0 166.3 -69.0 123.7 -15.9 8.2 13.9 88 91 A I E - 0 0 35 30,-2.9 -21,-2.3 1,-0.4 2,-0.3 0.738 60.4 -29.3-108.0 -34.3 -12.9 8.7 11.6 89 92 A Q E -GI 66 118B 15 29,-1.2 29,-2.8 -23,-0.2 -1,-0.4 -0.979 47.8-141.9-173.3 162.2 -12.3 5.2 10.3 90 93 A F E +GI 65 117B 0 -25,-1.8 -25,-2.9 -2,-0.3 2,-0.3 -0.965 21.9 163.7-135.1 155.0 -12.5 1.5 11.0 91 94 A H E - I 0 116B 20 25,-1.6 25,-3.1 -2,-0.3 2,-0.3 -0.934 23.2-124.8-155.6 174.8 -10.2 -1.3 10.3 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.2 -0.822 0.5-149.1-127.7 168.1 -9.5 -4.9 11.3 93 96 A H E + I 0 114B 1 21,-1.6 21,-2.3 -2,-0.3 2,-0.3 -0.990 31.4 167.4-132.8 132.8 -6.7 -7.1 12.6 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.9 -0.947 23.8-120.7-146.9 168.2 -6.9 -10.8 11.6 95 98 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.7 3,-0.1 -0.349 25.2-116.1-105.3-175.5 -4.9 -14.0 11.5 96 99 A S S S+ 0 0 41 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.540 106.6 30.0 -92.2 -11.0 -3.5 -16.6 9.1 97 100 A L S > S- 0 0 108 3,-0.3 3,-1.5 15,-0.1 -2,-0.2 -0.955 89.6-110.6-143.3 155.8 -5.8 -19.2 10.8 98 101 A D T 3 S+ 0 0 72 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.747 109.7 70.4 -63.4 -22.6 -9.1 -18.9 12.6 99 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.409 106.9 27.8 -77.1 4.1 -7.5 -19.6 16.0 100 103 A Q < + 0 0 54 -3,-1.5 -5,-0.7 12,-0.1 -3,-0.3 -0.975 66.9 96.6-156.1 163.5 -5.7 -16.2 16.1 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.014 55.7 104.5 142.6 -33.9 -6.1 -12.7 14.8 102 105 A S - 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