==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE(OXO-ACID) 01-JUN-92 2CBA . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.HAKANSSON,M.CARLSSON,L.A.SVENSSON,A.LILJAS . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.4 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 . 35 13.6 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 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 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 3 A H 0 0 225 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-125.9 13.7 -0.7 9.0 2 4 A H - 0 0 114 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.512 360.0-101.9 -87.2 149.5 10.0 0.2 9.0 3 5 A W + 0 0 33 -2,-0.2 2,-0.2 1,-0.1 7,-0.2 -0.274 56.7 132.4 -66.2 153.2 7.7 -1.5 11.4 4 6 A G - 0 0 11 5,-2.6 10,-0.1 2,-0.2 -1,-0.1 -0.778 65.4 -79.1-167.5-148.4 5.4 -4.3 10.5 5 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.193 83.7 111.0-123.5 18.5 4.4 -7.8 11.6 6 8 A G S > S- 0 0 37 4,-0.1 4,-1.6 1,-0.1 3,-0.3 -0.222 83.5 -97.8 -86.7-178.9 7.3 -9.8 10.3 7 9 A K T 4 S+ 0 0 149 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.841 122.7 41.1 -65.0 -33.7 10.0 -11.6 12.2 8 10 A H T 4 S+ 0 0 163 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.632 130.4 22.5 -94.5 -11.0 12.5 -8.8 11.7 9 11 A N T 4 S+ 0 0 51 -3,-0.3 -5,-2.6 -6,-0.1 -2,-0.2 0.288 94.1 125.2-140.0 16.6 10.2 -5.7 12.2 10 12 A G S >X S- 0 0 0 -4,-1.6 3,-2.8 -7,-0.2 4,-0.6 0.161 79.3 -71.2 -74.1-177.2 7.3 -7.2 14.3 11 13 A P G >4 S+ 0 0 24 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.761 125.5 62.2 -51.8 -33.3 5.9 -6.1 17.7 12 14 A E G 34 S+ 0 0 104 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.694 107.4 45.8 -71.1 -8.5 8.8 -7.3 19.7 13 15 A H G X> S+ 0 0 47 -3,-2.8 3,-1.6 1,-0.1 4,-0.5 0.551 85.4 91.7-102.9 -14.5 11.0 -4.8 17.9 14 16 A W H XX S+ 0 0 4 -3,-0.8 4,-2.5 -4,-0.6 3,-0.9 0.810 72.0 70.3 -54.5 -34.2 8.7 -1.7 18.1 15 17 A H H 34 S+ 0 0 64 -4,-0.4 -1,-0.2 1,-0.2 7,-0.1 0.739 87.4 66.8 -56.8 -25.5 10.2 -0.4 21.3 16 18 A K H <4 S+ 0 0 137 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.904 117.9 22.7 -67.6 -37.4 13.5 0.6 19.5 17 19 A D H << S+ 0 0 110 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.716 136.4 36.4 -95.7 -27.4 11.7 3.3 17.4 18 20 A F >< - 0 0 59 -4,-2.5 3,-2.5 1,-0.1 -1,-0.2 -0.787 64.8-177.5-127.5 83.5 8.7 3.8 19.8 19 21 A P G > S+ 0 0 101 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.717 76.5 75.6 -58.1 -24.7 9.9 3.5 23.4 20 22 A I G > S+ 0 0 59 1,-0.3 3,-2.3 179,-0.2 -5,-0.1 0.621 71.4 88.3 -63.8 -10.6 6.3 4.1 24.7 21 23 A A G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.751 89.7 46.4 -54.5 -27.4 5.8 0.4 23.5 22 24 A K G < S+ 0 0 139 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.1 -0.038 95.3 133.3-100.8 23.6 7.0 -0.5 27.1 23 25 A G < - 0 0 16 -3,-2.3 3,-0.5 1,-0.1 -3,-0.0 -0.045 70.0-107.9 -69.0 176.7 4.7 2.1 28.6 24 26 A E S S+ 0 0 119 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.441 111.2 40.2 -86.9 -8.2 2.3 1.8 31.6 25 27 A R S S+ 0 0 48 224,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.205 79.0 150.1-141.4 55.6 -0.9 1.9 29.6 26 28 A Q - 0 0 3 -3,-0.5 220,-0.1 221,-0.3 170,-0.1 -0.429 34.7-103.5 -93.1 152.4 -0.3 -0.2 26.5 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.1 -2,-0.1 -0.883 76.0 44.0-120.3 158.8 -2.9 -2.2 24.6 28 30 A P + 0 0 0 0, 0.0 218,-3.0 0, 0.0 2,-0.3 0.588 64.1 175.4 -77.5 179.6 -4.2 -4.8 23.9 29 31 A V - 0 0 1 216,-0.3 77,-1.1 -2,-0.2 2,-0.4 -0.929 36.6-100.8-137.0 167.1 -4.6 -6.7 27.1 30 32 A D E -a 106 0A 35 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.780 33.8-136.0 -87.4 135.9 -6.1 -10.0 28.2 31 33 A I E -a 107 0A 0 75,-3.0 77,-2.7 -2,-0.4 2,-0.8 -0.869 12.5-158.1 -95.1 106.5 -9.6 -9.5 29.8 32 34 A D >> - 0 0 62 -2,-0.8 3,-1.2 75,-0.2 4,-1.2 -0.844 4.9-159.6 -84.3 110.0 -9.7 -11.7 32.9 33 35 A T T 34 S+ 0 0 48 -2,-0.8 -1,-0.1 1,-0.3 222,-0.0 0.741 86.5 53.1 -68.0 -23.2 -13.5 -12.0 33.4 34 36 A H T 34 S+ 0 0 160 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.567 113.1 43.1 -90.1 -8.1 -13.3 -13.0 37.0 35 37 A T T <4 S+ 0 0 102 -3,-1.2 218,-0.2 2,-0.1 -2,-0.2 0.493 85.7 107.1-111.9 -12.9 -11.2 -9.9 37.9 36 38 A A S < S- 0 0 19 -4,-1.2 2,-0.6 216,-0.1 218,-0.2 -0.472 71.4-128.2 -65.6 137.4 -13.1 -7.3 35.9 37 39 A K E -c 254 0B 117 216,-2.4 218,-3.2 -2,-0.1 2,-0.3 -0.802 9.7-132.4 -94.6 121.9 -15.0 -5.1 38.3 38 40 A Y E -c 255 0B 77 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.578 24.4-163.9 -66.2 130.6 -18.7 -4.6 37.6 39 41 A D > - 0 0 27 216,-2.8 3,-1.8 -2,-0.3 -1,-0.1 -0.913 14.4-169.8-124.7 107.7 -19.3 -0.8 37.9 40 42 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.633 83.9 69.6 -72.1 -8.3 -23.0 0.2 38.2 41 43 A S T 3 S+ 0 0 81 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.536 76.1 101.7 -84.1 -11.0 -22.0 3.8 37.7 42 44 A L < - 0 0 28 -3,-1.8 3,-0.1 213,-0.2 -3,-0.0 -0.692 68.5-139.4 -78.2 136.9 -21.2 3.1 34.0 43 45 A K - 0 0 127 37,-0.9 39,-0.1 -2,-0.4 2,-0.1 -0.359 26.0 -90.7 -89.0 159.3 -23.9 4.3 31.6 44 46 A P - 0 0 108 0, 0.0 36,-1.9 0, 0.0 2,-0.2 -0.399 50.2-103.6 -63.3 150.5 -25.1 2.4 28.6 45 47 A L E -D 79 0B 16 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.542 25.4-147.0 -75.8 155.4 -23.3 3.3 25.4 46 48 A S E -D 78 0B 48 32,-2.7 32,-2.4 -2,-0.2 2,-0.6 -0.979 15.8-176.2-125.1 108.9 -25.0 5.6 22.9 47 49 A V E -D 77 0B 34 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.963 2.3-177.5-104.9 110.6 -24.0 4.8 19.3 48 50 A S E +D 76 0B 37 28,-3.2 28,-2.2 -2,-0.6 3,-0.2 -0.852 25.4 141.4-115.3 93.1 -25.5 7.3 16.7 49 51 A Y > + 0 0 4 -2,-0.6 3,-1.4 26,-0.2 130,-0.2 0.170 34.4 105.4-113.6 13.3 -24.5 6.1 13.3 50 52 A D T 3 S+ 0 0 103 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.817 87.5 42.9 -68.6 -23.1 -27.7 6.8 11.3 51 53 A Q T 3 S+ 0 0 124 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.222 83.4 143.6-103.9 13.4 -26.1 9.8 9.6 52 54 A A < - 0 0 22 -3,-1.4 2,-0.5 22,-0.2 18,-0.1 -0.161 34.5-159.9 -54.3 138.3 -22.7 8.1 8.9 53 55 A T - 0 0 48 16,-0.3 16,-2.8 122,-0.1 2,-0.2 -0.897 4.1-163.8-122.4 103.2 -21.0 9.1 5.6 54 56 A S E +E 68 0B 0 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.515 11.4 175.2 -82.6 150.1 -18.4 6.6 4.5 55 57 A L E - 0 0 79 12,-3.2 118,-2.3 1,-0.4 2,-0.3 0.701 50.0 -6.6-121.8 -41.4 -16.0 7.9 1.8 56 58 A R E -EF 67 172B 86 11,-1.1 11,-2.8 116,-0.3 2,-0.4 -0.989 45.2-135.6-157.0 160.9 -13.2 5.6 0.9 57 59 A I E -EF 66 171B 0 114,-2.9 114,-2.4 -2,-0.3 2,-0.4 -0.980 28.2-174.0-123.7 138.9 -11.5 2.3 1.6 58 60 A L E -EF 65 170B 30 7,-2.3 7,-2.6 -2,-0.4 2,-0.8 -0.996 27.5-143.0-136.9 138.4 -7.7 2.2 1.7 59 61 A N E -E 64 0B 0 110,-2.8 109,-2.8 -2,-0.4 5,-0.2 -0.851 22.6-179.7 -92.3 112.1 -5.0 -0.5 2.0 60 62 A N - 0 0 31 3,-1.9 4,-0.1 -2,-0.8 -1,-0.1 0.258 53.6-100.1 -97.7 9.1 -2.3 1.4 4.2 61 63 A G S S+ 0 0 11 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.332 117.4 53.8 90.7 -6.7 0.1 -1.6 4.2 62 64 A H S S- 0 0 45 1,-0.6 2,-0.3 -58,-0.1 166,-0.1 0.466 124.0 -25.0-127.3 -18.7 -0.8 -2.8 7.7 63 65 A A - 0 0 2 165,-0.1 -3,-1.9 -5,-0.1 -1,-0.6 -0.904 70.0 -91.9-167.2-170.3 -4.6 -3.1 7.4 64 66 A F E -E 59 0B 0 29,-0.3 29,-0.5 -2,-0.3 2,-0.4 -0.986 36.5-157.4-120.9 132.1 -7.5 -1.7 5.3 65 67 A N E -E 58 0B 19 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.6 -0.947 10.9-151.5-109.8 138.4 -9.3 1.4 6.7 66 68 A V E -EG 57 91B 0 25,-2.7 25,-1.9 -2,-0.4 2,-0.3 -0.945 27.7-152.1 -98.8 122.1 -12.9 2.4 5.8 67 69 A E E -EG 56 90B 49 -11,-2.8 -12,-3.2 -2,-0.6 -11,-1.1 -0.748 9.5-159.5-103.3 145.6 -12.8 6.2 6.3 68 70 A F E -E 54 0B 8 21,-2.7 2,-0.7 -2,-0.3 -14,-0.2 -0.819 31.8 -99.2-120.5 157.3 -15.8 8.5 7.2 69 71 A D + 0 0 40 -16,-2.8 -16,-0.3 -2,-0.3 5,-0.2 -0.697 41.1 173.9 -73.9 116.2 -16.5 12.2 6.8 70 72 A D + 0 0 42 -2,-0.7 -1,-0.1 1,-0.2 17,-0.1 -0.057 45.6 108.1-114.7 27.6 -15.7 13.5 10.4 71 73 A S S S+ 0 0 76 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.488 88.8 18.3 -81.4 -6.5 -16.2 17.3 9.6 72 74 A Q S S- 0 0 113 -3,-0.2 2,-2.1 3,-0.1 3,-0.4 -0.939 100.0 -80.6-152.2 168.8 -19.4 17.3 11.6 73 75 A D S S+ 0 0 88 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.418 77.2 127.3 -76.0 69.8 -21.2 15.3 14.2 74 76 A K S S+ 0 0 51 -2,-2.1 -23,-0.8 1,-0.3 2,-0.5 0.897 75.0 21.9 -93.6 -50.8 -22.6 12.7 11.8 75 77 A A S S+ 0 0 6 -3,-0.4 13,-2.8 -6,-0.2 2,-0.3 -0.973 85.3 164.6-122.8 111.5 -21.6 9.3 13.4 76 78 A V E -DH 48 87B 9 -28,-2.2 -28,-3.2 -2,-0.5 2,-0.4 -0.924 30.7-150.6-134.2 159.1 -20.8 9.7 17.1 77 79 A L E +DH 47 86B 0 9,-2.7 9,-2.5 -2,-0.3 2,-0.3 -0.966 28.8 151.4-122.9 135.3 -20.3 7.7 20.2 78 80 A K E +D 46 0B 70 -32,-2.4 -32,-2.7 -2,-0.4 7,-0.1 -0.917 37.3 44.3-150.4 178.2 -21.1 9.0 23.7 79 81 A G E > S+D 45 0B 21 5,-0.4 3,-2.6 -2,-0.3 -34,-0.3 -0.368 71.3 85.8 81.0-157.3 -22.2 7.7 27.0 80 82 A G T 3 S- 0 0 1 -36,-1.9 -37,-0.9 1,-0.3 -1,-0.1 -0.352 121.3 -27.5 60.0-136.7 -20.5 4.6 28.5 81 83 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.335 115.6 112.3 -88.8 4.9 -17.4 5.8 30.4 82 84 A L < - 0 0 14 -3,-2.6 2,-0.5 -39,-0.1 -3,-0.3 -0.579 53.5-155.8 -87.6 150.0 -17.1 8.8 28.1 83 85 A D + 0 0 131 -2,-0.2 2,-0.1 53,-0.1 -3,-0.0 -0.985 68.9 0.0-114.0 122.5 -17.4 12.5 28.8 84 86 A G S S- 0 0 47 -2,-0.5 2,-0.4 39,-0.1 -5,-0.4 -0.392 97.2 -50.0 95.6-178.6 -18.3 14.4 25.6 85 87 A T - 0 0 33 -7,-0.1 38,-2.6 -2,-0.1 2,-0.5 -0.897 40.2-162.2-109.7 132.1 -18.8 13.4 22.0 86 88 A Y E -HI 77 122B 5 -9,-2.5 -9,-2.7 -2,-0.4 2,-0.4 -0.961 11.6-145.9-117.3 128.5 -16.5 11.3 19.9 87 89 A R E -HI 76 121B 44 34,-2.5 34,-2.1 -2,-0.5 2,-0.3 -0.749 19.8-117.9 -96.1 135.6 -16.8 11.3 16.1 88 90 A L E + I 0 120B 2 -13,-2.8 32,-0.3 -2,-0.4 -13,-0.2 -0.569 36.4 167.9 -69.4 130.9 -16.1 8.2 14.1 89 91 A I E - 0 0 33 30,-2.6 -21,-2.7 1,-0.4 2,-0.3 0.708 60.2 -22.5-110.8 -37.6 -13.2 8.7 11.7 90 92 A Q E -GI 67 119B 31 29,-1.3 29,-3.0 -23,-0.2 -1,-0.4 -0.987 47.4-145.2-164.2 160.5 -12.4 5.2 10.5 91 93 A F E +GI 66 118B 0 -25,-1.9 -25,-2.7 -2,-0.3 2,-0.3 -0.963 22.7 164.2-129.5 158.2 -12.8 1.5 11.2 92 94 A H E - I 0 117B 22 25,-1.9 25,-3.0 -2,-0.3 2,-0.3 -0.918 23.1-126.9-158.3 171.8 -10.3 -1.4 10.4 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.869 0.5-148.8-125.1 164.9 -9.7 -5.0 11.4 94 96 A H E + I 0 115B 3 21,-1.8 21,-2.3 -2,-0.3 2,-0.3 -0.965 31.6 169.1-127.9 136.6 -6.9 -7.2 12.7 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.7 -0.946 23.2-117.8-149.7 171.8 -7.0 -10.9 11.6 96 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.6 3,-0.1 -0.466 23.0-121.9-110.0 174.5 -5.0 -14.1 11.6 97 99 A S S S+ 0 0 44 -2,-0.2 2,-0.3 142,-0.2 5,-0.1 0.593 105.2 31.0 -84.4 -15.8 -3.5 -16.6 9.2 98 100 A L S > S- 0 0 109 3,-0.2 3,-1.6 15,-0.1 -2,-0.2 -0.939 89.9-109.6-134.6 160.0 -5.7 -19.3 10.9 99 101 A D T 3 S+ 0 0 72 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.733 109.8 66.0 -67.2 -20.3 -9.2 -19.1 12.6 100 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.324 107.7 33.4 -85.0 8.5 -7.7 -19.7 16.1 101 103 A Q < + 0 0 50 -3,-1.6 -5,-0.6 12,-0.1 -3,-0.2 -0.982 64.4 96.5-153.4 164.6 -5.9 -16.4 16.2 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.043 56.7 103.7 145.5 -34.5 -6.3 -12.8 14.9 103 105 A S - 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