==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-MAR-06 2GEH . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.TEMPERINI,A.INNOCENTI,A.SCOZZAFAVA,C.T.SUPURAN . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.2 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 . 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 . 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 . 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 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 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 0 208 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.9 9.7 0.4 8.8 2 5 A W + 0 0 66 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.080 360.0 141.4 -57.1 147.1 7.6 -1.5 11.4 3 6 A G - 0 0 11 5,-3.4 10,-0.1 2,-0.2 -1,-0.1 -0.616 59.6 -88.6-153.0-145.3 5.5 -4.5 10.3 4 7 A Y S S+ 0 0 35 5,-0.2 5,-0.2 -2,-0.2 237,-0.1 0.203 83.4 103.9-129.6 10.0 4.4 -7.9 11.6 5 8 A G S > S- 0 0 40 4,-0.1 4,-1.4 1,-0.1 3,-0.5 -0.235 88.1 -90.2 -85.1-177.9 7.2 -10.1 10.3 6 9 A K T 4 S+ 0 0 160 1,-0.2 3,-0.1 2,-0.2 5,-0.1 0.868 123.5 40.3 -61.3 -36.7 10.2 -11.5 12.3 7 10 A H T 4 S+ 0 0 152 1,-0.2 -1,-0.2 4,-0.0 -5,-0.0 0.613 131.0 22.1 -94.9 -9.9 12.5 -8.6 11.7 8 11 A N T 4 S+ 0 0 59 -3,-0.5 -5,-3.4 -6,-0.1 -2,-0.2 0.190 95.6 114.9-140.8 14.3 10.1 -5.7 12.1 9 12 A G S >X S- 0 0 2 -4,-1.4 3,-2.7 -5,-0.2 4,-0.8 0.036 86.6 -63.9 -83.4-172.8 7.2 -7.1 14.2 10 13 A P T 34 S+ 0 0 33 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.721 128.7 61.7 -48.8 -28.6 5.8 -6.2 17.7 11 14 A E T 34 S+ 0 0 161 1,-0.2 3,-0.1 2,-0.1 4,-0.1 0.699 109.1 43.6 -70.3 -17.4 9.1 -7.4 19.4 12 15 A H T X4 S+ 0 0 42 -3,-2.7 3,-1.8 1,-0.1 4,-0.5 0.633 87.5 89.1 -99.4 -16.5 11.0 -4.7 17.5 13 16 A W G >X S+ 0 0 5 -4,-0.8 4,-2.8 -3,-0.3 3,-0.9 0.788 74.8 68.1 -59.8 -33.7 8.7 -1.7 17.9 14 17 A H G 34 S+ 0 0 72 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.724 88.9 67.0 -59.1 -25.0 10.1 -0.4 21.1 15 18 A K G <4 S+ 0 0 128 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.916 118.1 21.1 -66.5 -40.5 13.4 0.5 19.3 16 19 A D T <4 S+ 0 0 121 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.708 136.1 38.9 -94.7 -26.4 11.7 3.3 17.3 17 20 A F >< - 0 0 59 -4,-2.8 3,-2.3 1,-0.1 -1,-0.2 -0.796 65.2-178.7-128.6 83.7 8.7 3.7 19.6 18 21 A P G > S+ 0 0 98 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.764 77.2 74.5 -53.4 -31.3 9.9 3.5 23.2 19 22 A I G > S+ 0 0 59 1,-0.3 3,-2.9 2,-0.2 -5,-0.1 0.703 71.2 88.5 -59.0 -15.5 6.3 4.0 24.4 20 23 A A G < S+ 0 0 6 -3,-2.3 -1,-0.3 1,-0.3 -6,-0.1 0.717 92.2 44.9 -52.0 -21.4 5.8 0.3 23.3 21 24 A K G < S+ 0 0 143 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 0.015 95.8 129.0-110.3 23.8 6.9 -0.6 26.8 22 25 A G S < S- 0 0 16 -3,-2.9 3,-0.4 1,-0.1 -3,-0.0 0.139 71.9-100.0 -75.8-169.2 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 0.660 113.0 35.4 -92.1 -22.0 2.4 2.0 31.3 24 27 A R S S+ 0 0 47 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.294 80.0 155.0-130.1 51.5 -1.0 1.9 29.4 25 28 A Q - 0 0 4 -3,-0.4 220,-0.2 221,-0.3 170,-0.1 -0.491 32.5-102.7 -76.4 150.7 -0.2 -0.2 26.3 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.866 76.8 41.3-126.9 157.3 -2.8 -2.2 24.3 27 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.591 65.8 176.7 -81.6-178.8 -4.1 -4.7 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.3 -0.914 36.4 -99.7-141.5 159.5 -4.5 -6.7 26.9 29 32 A D E -a 105 0A 30 216,-0.5 2,-0.9 -2,-0.3 77,-0.2 -0.707 35.1-136.4 -77.6 138.4 -6.0 -9.9 28.0 30 33 A I E -a 106 0A 0 75,-3.4 77,-2.5 -2,-0.3 2,-1.1 -0.872 11.8-157.2-101.7 105.5 -9.4 -9.4 29.6 31 34 A D >> - 0 0 62 -2,-0.9 3,-2.1 75,-0.2 4,-1.9 -0.741 2.7-161.5 -84.6 103.5 -9.5 -11.5 32.7 32 35 A T T 34 S+ 0 0 42 -2,-1.1 -1,-0.2 1,-0.3 222,-0.0 0.774 88.0 53.8 -58.0 -29.0 -13.3 -11.8 33.1 33 36 A H T 34 S+ 0 0 164 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.410 112.9 43.5 -88.5 1.0 -12.9 -12.8 36.8 34 37 A T T <4 S+ 0 0 99 -3,-2.1 -2,-0.2 2,-0.0 -1,-0.2 0.597 91.9 92.0-113.9 -27.2 -10.8 -9.7 37.6 35 38 A A S < S- 0 0 18 -4,-1.9 2,-0.4 218,-0.1 218,-0.2 -0.498 70.2-144.0 -70.6 141.5 -12.8 -7.1 35.7 36 39 A K E -c 253 0B 154 216,-1.5 218,-1.9 -2,-0.1 221,-0.1 -0.925 15.5-110.6-118.3 133.1 -15.5 -5.5 38.0 37 40 A Y E -c 254 0B 101 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.347 32.9-151.6 -56.4 135.1 -19.0 -4.4 37.1 38 41 A D > - 0 0 23 216,-2.5 3,-1.3 1,-0.1 -1,-0.1 -0.885 16.3-172.7-120.6 101.9 -19.0 -0.6 37.3 39 42 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.655 80.5 71.8 -69.0 -14.8 -22.4 0.9 38.3 40 43 A S T 3 S+ 0 0 97 2,-0.0 2,-0.5 40,-0.0 215,-0.1 0.132 74.5 102.8 -87.2 20.1 -21.1 4.4 37.6 41 44 A L < - 0 0 28 -3,-1.3 3,-0.1 213,-0.1 -3,-0.0 -0.900 66.2-140.5-100.6 131.5 -21.1 3.8 33.8 42 45 A K - 0 0 106 37,-1.2 37,-0.1 -2,-0.5 39,-0.1 -0.342 41.8 -78.6 -76.0 165.3 -23.9 5.4 31.8 43 46 A P - 0 0 118 0, 0.0 36,-0.9 0, 0.0 2,-0.3 -0.382 54.4-102.4 -67.8 155.4 -25.4 3.4 29.0 44 47 A L E -D 78 0B 21 34,-0.3 2,-0.6 141,-0.1 34,-0.2 -0.575 29.8-155.1 -78.1 136.6 -23.3 3.3 25.7 45 48 A S E +D 77 0B 46 32,-3.1 32,-2.2 -2,-0.3 2,-0.6 -0.937 14.4 177.3-116.4 109.1 -24.5 5.5 22.9 46 49 A V E +D 76 0B 33 -2,-0.6 2,-0.7 30,-0.2 30,-0.2 -0.926 5.2 179.3-110.0 104.5 -23.5 4.5 19.4 47 50 A S E +D 75 0B 29 28,-2.7 28,-2.7 -2,-0.6 3,-0.1 -0.851 22.8 142.0-116.0 94.8 -25.1 6.9 16.9 48 51 A Y > + 0 0 2 -2,-0.7 3,-1.2 26,-0.3 130,-0.3 0.112 34.6 107.5-123.1 11.5 -24.1 5.9 13.4 49 52 A D T 3 S+ 0 0 99 1,-0.3 25,-0.1 128,-0.1 -1,-0.1 0.844 84.6 43.0 -66.5 -36.2 -27.3 6.6 11.5 50 53 A Q T 3 S+ 0 0 130 23,-0.9 -1,-0.3 -3,-0.1 24,-0.2 0.110 85.7 152.6 -93.9 22.9 -25.9 9.7 9.7 51 54 A A < - 0 0 20 -3,-1.2 2,-0.5 22,-0.2 -3,-0.1 -0.219 30.3-160.6 -61.1 140.1 -22.5 8.1 9.0 52 55 A T - 0 0 47 16,-0.3 16,-3.1 122,-0.1 2,-0.1 -0.796 7.8-171.4-127.3 86.1 -20.7 9.4 5.9 53 56 A S E +E 67 0B 2 -2,-0.5 121,-0.7 122,-0.4 14,-0.3 -0.410 7.0 176.8 -71.0 152.9 -18.0 6.9 4.7 54 57 A L E - 0 0 79 12,-2.6 118,-2.3 1,-0.4 2,-0.3 0.696 50.5 -7.5-123.4 -49.0 -15.7 8.1 1.9 55 58 A R E -EF 66 171B 84 11,-0.7 11,-3.2 116,-0.3 2,-0.4 -0.983 45.6-132.1-158.4 150.9 -13.0 5.6 0.9 56 59 A I E -EF 65 170B 0 114,-2.6 114,-2.3 -2,-0.3 2,-0.4 -0.967 29.7-172.6-113.1 138.2 -11.3 2.3 1.6 57 60 A L E -EF 64 169B 33 7,-2.3 7,-2.6 -2,-0.4 2,-0.7 -0.993 25.8-143.8-136.6 127.2 -7.5 2.3 1.7 58 61 A N E -E 63 0B 0 110,-2.8 109,-2.8 -2,-0.4 5,-0.2 -0.821 22.2-176.3 -82.5 113.8 -4.9 -0.5 2.0 59 62 A N - 0 0 41 3,-2.4 4,-0.1 -2,-0.7 -1,-0.1 0.315 50.4 -97.9-101.7 9.8 -2.2 1.2 4.1 60 63 A G S S+ 0 0 13 2,-0.5 106,-0.1 166,-0.3 3,-0.1 0.113 119.7 46.4 97.8 -22.3 0.4 -1.6 4.1 61 64 A H S S- 0 0 47 1,-0.4 2,-0.2 -58,-0.1 -1,-0.1 0.639 126.4 -25.4-121.5 -29.4 -0.6 -3.0 7.4 62 65 A A S S- 0 0 2 -5,-0.1 -3,-2.4 165,-0.1 -2,-0.5 -0.828 71.3 -87.9-155.2-165.8 -4.4 -3.2 7.2 63 66 A F E -E 58 0B 0 -5,-0.2 2,-0.5 29,-0.2 29,-0.4 -0.988 32.5-154.5-117.8 132.5 -7.3 -1.5 5.4 64 67 A N E -E 57 0B 25 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.6 -0.872 7.2-154.4-101.4 134.7 -9.0 1.6 6.7 65 68 A V E -EG 56 90B 0 25,-2.7 25,-2.0 -2,-0.5 2,-0.3 -0.946 28.9-149.7 -99.5 121.2 -12.6 2.5 5.9 66 69 A E E -EG 55 89B 44 -11,-3.2 -12,-2.6 -2,-0.6 -11,-0.7 -0.661 11.8-159.4-103.4 151.6 -12.6 6.3 6.3 67 70 A F E -E 53 0B 7 21,-2.4 2,-0.6 -14,-0.3 -14,-0.3 -0.884 28.6-107.4-127.4 153.5 -15.4 8.6 7.3 68 71 A D + 0 0 37 -16,-3.1 -16,-0.3 -2,-0.3 5,-0.2 -0.751 39.9 173.3 -77.6 119.4 -16.2 12.3 7.0 69 72 A D + 0 0 39 -2,-0.6 -1,-0.1 1,-0.1 17,-0.1 0.023 45.5 104.1-124.2 23.1 -15.6 13.6 10.5 70 73 A S S S+ 0 0 77 56,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.510 89.3 32.6 -84.5 -6.6 -16.0 17.4 10.1 71 74 A Q S S- 0 0 116 -3,-0.2 2,-2.5 3,-0.1 3,-0.4 -0.955 99.8 -91.4-142.6 165.0 -19.4 17.2 11.7 72 75 A D S S+ 0 0 85 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.364 75.5 128.8 -76.4 63.8 -21.2 15.1 14.3 73 76 A K S S+ 0 0 49 -2,-2.5 -23,-0.9 1,-0.3 2,-0.5 0.938 75.0 20.8 -84.0 -55.9 -22.4 12.4 11.9 74 77 A A S S+ 0 0 7 -3,-0.4 13,-2.4 -6,-0.2 2,-0.3 -0.981 86.1 170.7-116.1 117.3 -21.3 9.1 13.4 75 78 A V E -DH 47 86B 10 -28,-2.7 -28,-2.7 -2,-0.5 2,-0.5 -0.951 29.8-150.2-134.3 148.3 -20.6 9.5 17.2 76 79 A L E +DH 46 85B 0 9,-2.8 9,-1.6 -2,-0.3 2,-0.3 -0.969 32.6 147.1-113.7 130.4 -19.8 7.6 20.3 77 80 A K E +D 45 0B 73 -32,-2.2 -32,-3.1 -2,-0.5 7,-0.1 -0.918 33.6 40.8-147.4 173.5 -20.8 8.8 23.7 78 81 A G E > S+D 44 0B 13 3,-0.5 3,-2.2 5,-0.5 -34,-0.3 -0.332 76.4 74.2 82.4-166.5 -21.9 7.6 27.2 79 82 A G T 3 S- 0 0 4 -36,-0.9 -37,-1.2 1,-0.3 -1,-0.2 -0.381 124.4 -18.5 61.2-126.3 -20.4 4.6 28.9 80 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.564 118.4 105.0 -86.6 -1.6 -17.0 5.5 30.3 81 84 A L < - 0 0 2 -3,-2.2 -3,-0.5 -39,-0.1 2,-0.5 -0.540 56.8-153.8 -88.1 135.5 -16.8 8.5 27.9 82 85 A D - 0 0 122 -2,-0.3 2,-0.1 -5,-0.1 -1,-0.0 -0.914 67.8 -12.4 -99.6 134.5 -17.3 12.2 28.7 83 86 A G S S- 0 0 50 -2,-0.5 -5,-0.5 38,-0.1 2,-0.4 -0.387 100.8 -42.4 79.0-151.6 -18.5 14.2 25.7 84 87 A T - 0 0 30 -7,-0.1 38,-2.3 -2,-0.1 2,-0.4 -0.907 42.4-162.9-124.8 139.9 -18.7 13.2 22.1 85 88 A Y E -HI 76 121B 4 -9,-1.6 -9,-2.8 -2,-0.4 2,-0.4 -0.995 16.9-136.9-125.8 130.7 -16.2 11.3 20.0 86 89 A R E -HI 75 120B 44 34,-2.8 34,-2.0 -2,-0.4 -11,-0.2 -0.745 16.8-119.3 -93.5 132.2 -16.3 11.3 16.2 87 90 A L E + I 0 119B 3 -13,-2.4 32,-0.3 -2,-0.4 -13,-0.2 -0.429 37.6 166.4 -59.7 125.5 -15.8 8.2 14.1 88 91 A I E - 0 0 35 30,-2.7 -21,-2.4 1,-0.5 2,-0.3 0.731 59.1 -23.3-110.9 -39.5 -12.8 8.7 11.8 89 92 A Q E -GI 66 118B 33 29,-1.2 29,-2.6 -23,-0.2 -1,-0.5 -0.986 49.8-144.2-161.9 161.6 -12.1 5.2 10.4 90 93 A F E +GI 65 117B 0 -25,-2.0 -25,-2.7 -2,-0.3 2,-0.3 -0.967 22.2 161.1-132.7 158.9 -12.5 1.6 11.0 91 94 A H E - I 0 116B 18 25,-1.8 25,-3.1 -2,-0.3 2,-0.3 -0.968 24.3-124.5-162.4 169.1 -10.2 -1.4 10.3 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.2 -0.762 1.3-151.1-120.4 162.3 -9.6 -5.0 11.3 93 96 A H E + I 0 114B 1 21,-2.1 21,-2.5 -2,-0.3 2,-0.3 -0.988 31.2 167.6-124.7 137.5 -6.8 -7.2 12.6 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.6 -0.906 24.4-122.8-145.6 170.7 -6.9 -10.8 11.6 95 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.6 3,-0.1 -0.482 24.9-118.3-107.9 179.8 -5.0 -14.1 11.5 96 99 A S S S+ 0 0 45 -2,-0.2 2,-0.3 142,-0.2 5,-0.1 0.428 105.0 33.9 -90.3 -8.1 -3.8 -16.7 9.0 97 100 A L S > S- 0 0 108 3,-0.3 3,-1.4 15,-0.1 -2,-0.2 -0.960 89.1-112.8-147.2 154.9 -5.9 -19.3 10.8 98 101 A D T 3 S+ 0 0 70 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.745 109.0 70.3 -64.4 -23.9 -9.2 -19.1 12.7 99 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 11,-0.3 0.440 107.5 27.2 -76.3 1.2 -7.5 -19.8 16.0 100 103 A Q < + 0 0 56 -3,-1.4 -5,-0.6 12,-0.1 -3,-0.3 -0.977 65.5 95.4-155.5 164.2 -5.8 -16.4 16.0 101 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.027 55.9 108.9 140.8 -29.5 -6.1 -12.8 14.8 102 105 A S - 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