==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 30-MAY-00 1F2W . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.GUERRI,F.BRIGANTI,A.SCOZZAFAVA,C.T.SUPURAN,S.MANGANI . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11716.0 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 . 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 . 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 . 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 0 192 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-173.8 9.8 0.2 8.7 2 5 A W + 0 0 60 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.191 360.0 135.8 -64.9 151.7 7.4 -1.5 11.2 3 6 A G - 0 0 11 5,-2.3 10,-0.1 2,-0.2 -1,-0.1 -0.721 62.5 -88.0-164.6-149.7 5.3 -4.5 10.3 4 7 A Y S S+ 0 0 36 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.234 83.6 107.1-123.4 8.5 4.3 -7.9 11.8 5 8 A G S > S- 0 0 39 4,-0.1 4,-1.8 1,-0.1 3,-0.4 -0.154 86.0 -94.1 -83.7 179.7 7.2 -10.1 10.5 6 9 A K T 4 S+ 0 0 125 1,-0.2 5,-0.1 2,-0.2 -1,-0.1 0.882 122.3 42.7 -65.5 -32.1 10.1 -11.5 12.5 7 10 A H T 4 S+ 0 0 164 1,-0.2 -1,-0.2 5,-0.0 -5,-0.0 0.622 131.9 19.2 -94.0 -5.0 12.5 -8.7 11.7 8 11 A N T 4 S+ 0 0 58 -3,-0.4 -5,-2.3 -6,-0.1 -2,-0.2 0.269 95.6 117.8-142.7 11.6 10.1 -5.8 12.2 9 12 A G S >X S- 0 0 0 -4,-1.8 3,-3.0 -5,-0.2 4,-0.9 0.125 84.7 -62.7 -77.2-174.1 7.2 -7.1 14.3 10 13 A P T 34 S+ 0 0 29 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.708 129.0 61.0 -45.3 -28.4 5.8 -6.2 17.7 11 14 A E T 34 S+ 0 0 132 1,-0.2 -5,-0.1 2,-0.1 -2,-0.0 0.597 108.3 44.0 -77.2 -8.4 9.0 -7.2 19.4 12 15 A H T X> S+ 0 0 56 -3,-3.0 3,-1.6 1,-0.1 4,-0.6 0.607 87.5 90.1-106.3 -20.2 11.0 -4.6 17.5 13 16 A W H 3X S+ 0 0 5 -4,-0.9 4,-2.5 1,-0.3 3,-0.4 0.777 73.6 68.8 -54.9 -36.4 8.6 -1.7 17.8 14 17 A H H 34 S+ 0 0 66 -4,-0.4 -1,-0.3 2,-0.2 6,-0.2 0.773 87.9 65.6 -54.3 -30.9 10.0 -0.3 21.0 15 18 A K H <4 S+ 0 0 131 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.935 117.8 24.5 -65.8 -41.5 13.3 0.8 19.4 16 19 A D H < S+ 0 0 112 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.709 136.4 36.3 -88.4 -24.2 11.6 3.5 17.2 17 20 A F >< - 0 0 47 -4,-2.5 3,-2.7 1,-0.1 -1,-0.2 -0.745 65.7-178.8-129.1 85.6 8.6 3.9 19.6 18 21 A P G > S+ 0 0 100 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 0.784 76.0 76.7 -59.4 -24.7 9.8 3.6 23.2 19 22 A I G > + 0 0 57 1,-0.3 3,-2.3 2,-0.1 -5,-0.1 0.641 68.9 89.9 -62.0 -8.8 6.3 4.0 24.4 20 23 A A G < S+ 0 0 7 -3,-2.7 -1,-0.3 1,-0.3 -6,-0.1 0.740 92.6 42.6 -58.0 -23.6 5.7 0.4 23.4 21 24 A K G < S+ 0 0 137 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.1 -0.051 96.4 128.8-107.8 22.4 6.8 -0.6 26.9 22 25 A G S < S- 0 0 17 -3,-2.3 3,-0.4 1,-0.1 -3,-0.0 0.070 73.5 -94.4 -71.5-170.8 4.8 2.2 28.5 23 26 A E S S+ 0 0 121 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.513 114.3 32.9 -87.2 -8.8 2.2 2.2 31.3 24 27 A R S S+ 0 0 49 224,-0.1 -1,-0.2 2,-0.1 2,-0.2 -0.207 78.6 155.4-147.8 52.6 -1.0 1.9 29.3 25 28 A Q - 0 0 4 -3,-0.4 220,-0.2 221,-0.3 170,-0.1 -0.439 32.5-102.5 -79.2 152.7 -0.3 -0.2 26.2 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 218,-0.1 -0.933 77.1 43.5-123.2 172.3 -2.9 -2.1 24.4 27 30 A P + 0 0 0 0, 0.0 218,-3.3 0, 0.0 2,-0.3 0.485 64.9 178.0 -53.3 171.1 -4.1 -4.7 23.7 28 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.3 -0.936 35.6-100.8-134.8 164.2 -4.5 -6.6 27.0 29 32 A D E -a 105 0A 28 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.693 33.4-137.7 -83.3 135.5 -6.0 -9.9 28.1 30 33 A I E -a 106 0A 0 75,-3.2 77,-2.8 -2,-0.3 2,-0.9 -0.853 13.7-161.8 -95.9 102.6 -9.5 -9.3 29.6 31 34 A D >> - 0 0 64 -2,-0.9 3,-1.9 75,-0.2 4,-1.5 -0.729 3.1-160.8 -84.5 102.8 -9.6 -11.6 32.7 32 35 A T T 34 S+ 0 0 45 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.792 87.1 55.8 -59.3 -29.0 -13.4 -11.7 33.3 33 36 A H T 34 S+ 0 0 167 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.484 111.2 42.6 -81.0 -9.8 -13.0 -12.8 36.9 34 37 A T T <4 S+ 0 0 106 -3,-1.9 -1,-0.2 2,-0.0 -2,-0.2 0.523 93.3 96.2-104.0 -20.7 -10.9 -9.7 37.7 35 38 A A < - 0 0 20 -4,-1.5 2,-0.4 216,-0.1 218,-0.2 -0.454 67.8-144.2 -70.8 148.6 -13.0 -7.2 35.8 36 39 A K E -c 253 0B 137 216,-2.0 218,-2.8 -2,-0.1 2,-0.2 -0.941 13.2-116.5-119.5 138.6 -15.5 -5.5 38.0 37 40 A Y E -c 254 0B 97 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.459 29.1-151.9 -64.5 140.0 -19.1 -4.3 37.2 38 41 A D > - 0 0 34 216,-2.7 3,-1.6 -2,-0.2 -1,-0.1 -0.908 13.3-169.3-122.2 103.4 -19.2 -0.5 37.4 39 42 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.678 82.8 68.7 -64.8 -9.6 -22.6 0.8 38.4 40 43 A S T 3 S+ 0 0 92 -3,-0.1 2,-0.5 2,-0.1 215,-0.1 0.458 71.3 106.3 -91.7 0.8 -21.4 4.3 37.5 41 44 A L < - 0 0 31 -3,-1.6 3,-0.1 213,-0.2 213,-0.0 -0.690 64.7-141.8 -81.6 126.5 -21.1 3.7 33.8 42 45 A K - 0 0 88 37,-1.2 37,-0.4 -2,-0.5 39,-0.1 -0.436 40.9 -72.8 -76.0 167.2 -23.9 5.5 31.9 43 46 A P - 0 0 112 0, 0.0 36,-1.2 0, 0.0 2,-0.3 -0.256 51.8-114.2 -58.6 146.1 -25.5 3.7 28.9 44 47 A L E -D 78 0B 21 34,-0.3 2,-0.5 141,-0.1 34,-0.3 -0.625 27.0-154.4 -77.2 148.9 -23.3 3.6 25.8 45 48 A S E -D 77 0B 40 32,-3.1 32,-2.2 -2,-0.3 2,-0.6 -0.958 13.2-177.4-135.0 114.2 -24.6 5.6 22.8 46 49 A V E -D 76 0B 33 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.947 4.8-179.1-109.3 105.8 -23.6 4.6 19.3 47 50 A S E +D 75 0B 42 28,-2.9 28,-2.1 -2,-0.6 3,-0.2 -0.804 23.8 142.8-111.0 89.0 -25.1 7.1 16.8 48 51 A Y > + 0 0 3 -2,-0.6 3,-1.7 26,-0.2 130,-0.2 0.352 35.3 106.6-109.4 7.0 -24.1 5.9 13.4 49 52 A D T 3 S+ 0 0 101 1,-0.3 -1,-0.1 24,-0.1 25,-0.1 0.854 86.7 39.9 -60.4 -32.2 -27.3 6.7 11.5 50 53 A Q T 3 S+ 0 0 122 23,-0.2 24,-0.3 -3,-0.2 -1,-0.3 0.264 85.4 144.1 -98.7 14.8 -25.8 9.8 9.7 51 54 A A < - 0 0 20 -3,-1.7 2,-0.5 22,-0.2 18,-0.1 -0.230 34.7-158.4 -56.8 133.4 -22.4 8.2 9.1 52 55 A T - 0 0 45 16,-0.3 16,-3.3 122,-0.1 2,-0.1 -0.862 4.6-165.9-120.4 98.6 -20.7 9.1 5.8 53 56 A S E +E 67 0B 0 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.406 9.8 175.6 -75.8 150.8 -18.0 6.7 4.6 54 57 A L E - 0 0 74 12,-3.3 118,-2.5 1,-0.4 2,-0.3 0.662 49.8 -7.2-125.1 -36.2 -15.8 8.0 1.8 55 58 A R E -EF 66 171B 88 11,-1.0 11,-3.2 116,-0.3 -1,-0.4 -0.992 47.2-131.4-163.4 160.8 -13.0 5.6 0.9 56 59 A I E -EF 65 170B 0 114,-2.6 114,-1.9 -2,-0.3 2,-0.4 -0.957 25.4-170.6-127.8 137.4 -11.2 2.4 1.6 57 60 A L E -EF 64 169B 32 7,-2.4 7,-2.3 -2,-0.4 2,-0.8 -0.985 24.7-146.3-134.5 132.4 -7.4 2.2 1.7 58 61 A N E -E 63 0B 0 110,-2.6 109,-3.1 -2,-0.4 5,-0.2 -0.874 22.2-178.0 -91.1 112.1 -4.8 -0.7 1.9 59 62 A N - 0 0 41 3,-1.9 4,-0.1 -2,-0.8 -1,-0.1 0.286 51.2-101.0 -97.7 12.3 -2.2 1.1 4.1 60 63 A G S S+ 0 0 14 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.381 118.0 53.2 87.0 -3.8 0.3 -1.9 4.0 61 64 A H S S- 0 0 44 1,-0.6 2,-0.2 -58,-0.1 -1,-0.1 0.581 125.3 -30.9-128.1 -34.5 -0.7 -3.1 7.5 62 65 A A S S- 0 0 1 -5,-0.1 -3,-1.9 165,-0.1 -1,-0.6 -0.775 72.4 -85.1-158.5-163.1 -4.5 -3.4 7.2 63 66 A F E -E 58 0B 0 29,-0.2 29,-0.5 -2,-0.2 2,-0.5 -0.979 34.0-152.9-123.9 135.8 -7.4 -1.7 5.3 64 67 A N E -E 57 0B 23 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.6 -0.913 6.5-155.1-105.4 124.8 -9.0 1.5 6.6 65 68 A V E -EG 56 90B 0 25,-2.7 25,-2.0 -2,-0.5 2,-0.3 -0.945 27.6-152.3 -96.5 119.3 -12.7 2.5 5.8 66 69 A E E -EG 55 89B 46 -11,-3.2 -12,-3.3 -2,-0.6 -11,-1.0 -0.714 10.0-158.8-105.7 145.5 -12.6 6.3 6.2 67 70 A F E -E 53 0B 9 21,-2.2 2,-0.7 -14,-0.3 -14,-0.3 -0.885 29.8-104.9-119.5 150.9 -15.5 8.5 7.1 68 71 A D + 0 0 42 -16,-3.3 -16,-0.3 -2,-0.3 3,-0.2 -0.689 39.8 173.9 -72.1 114.3 -16.1 12.3 6.6 69 72 A D + 0 0 40 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 0.089 44.5 108.7-111.7 22.9 -15.5 13.6 10.1 70 73 A S S S+ 0 0 81 2,-0.0 2,-0.3 56,-0.0 -1,-0.1 0.360 85.7 27.6 -77.1 4.2 -15.8 17.3 9.3 71 74 A Q S S- 0 0 121 -3,-0.2 2,-1.8 3,-0.1 3,-0.2 -0.953 100.8 -84.9-157.0 161.9 -19.2 17.6 11.1 72 75 A D S S+ 0 0 91 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.553 77.8 122.8 -79.5 82.7 -20.9 15.8 14.0 73 76 A K + 0 0 46 -2,-1.8 2,-0.6 1,-0.3 -22,-0.2 0.657 66.1 29.1 -98.9 -95.6 -22.4 12.8 12.2 74 77 A A S S+ 0 0 4 -24,-0.3 13,-2.4 -3,-0.2 2,-0.4 -0.570 81.5 170.5 -70.2 104.0 -21.4 9.4 13.5 75 78 A V E -DH 47 86B 10 -28,-2.1 -28,-2.9 -2,-0.6 2,-0.4 -0.968 30.3-152.1-130.2 154.8 -20.6 9.7 17.2 76 79 A L E +DH 46 85B 0 9,-2.7 9,-2.2 -2,-0.4 2,-0.3 -0.925 33.2 144.5-112.0 136.8 -19.9 7.6 20.2 77 80 A K E +D 45 0B 66 -32,-2.2 -32,-3.1 -2,-0.4 7,-0.1 -0.916 31.2 46.0-160.3 177.0 -20.8 8.8 23.7 78 81 A G E > S+D 44 0B 13 5,-0.4 3,-1.9 -2,-0.3 -34,-0.3 -0.232 74.4 79.6 74.3-163.1 -22.0 7.7 27.1 79 82 A G T 3 S- 0 0 2 -36,-1.2 -37,-1.2 -37,-0.4 -1,-0.2 -0.459 122.3 -22.2 64.6-140.7 -20.5 4.7 28.8 80 83 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.394 116.9 106.4 -79.5 -3.0 -17.2 5.7 30.4 81 84 A L < - 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