==== 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 2CBE . 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) . 11798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 65.1 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 . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.0 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 0 227 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-129.3 13.7 -0.7 9.0 2 4 A H - 0 0 115 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.564 360.0-101.3 -87.9 148.1 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 -0.146 56.1 133.2 -59.9 150.0 7.7 -1.6 11.4 4 6 A G - 0 0 11 5,-2.5 10,-0.1 2,-0.1 -1,-0.1 -0.726 65.4 -80.2-167.2-149.6 5.4 -4.4 10.4 5 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.216 83.5 111.3-123.4 18.1 4.5 -7.9 11.7 6 8 A G S > S- 0 0 36 4,-0.1 4,-1.4 1,-0.1 -2,-0.1 -0.125 83.2 -96.5 -85.3 179.1 7.4 -9.9 10.4 7 9 A K T 4 S+ 0 0 147 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.877 123.1 40.1 -64.8 -35.2 10.3 -11.7 12.3 8 10 A H T 4 S+ 0 0 161 1,-0.2 -1,-0.2 4,-0.0 -5,-0.0 0.697 130.9 21.9 -92.2 -16.2 12.6 -8.7 11.7 9 11 A N T 4 S+ 0 0 53 -3,-0.1 -5,-2.5 -6,-0.0 -2,-0.2 0.173 94.4 129.5-133.5 14.7 10.3 -5.7 12.2 10 12 A G S >X S- 0 0 0 -4,-1.4 3,-2.7 -7,-0.2 4,-0.6 0.110 78.5 -75.1 -69.5 177.1 7.5 -7.3 14.4 11 13 A P G >4 S+ 0 0 25 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.761 126.3 63.4 -50.6 -30.1 5.9 -6.2 17.6 12 14 A E G 34 S+ 0 0 98 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.716 107.0 44.1 -70.5 -15.3 9.0 -7.3 19.6 13 15 A H G X> S+ 0 0 49 -3,-2.7 3,-1.6 1,-0.1 4,-0.6 0.560 85.1 93.1-102.7 -11.6 11.1 -4.7 17.9 14 16 A W H XX S+ 0 0 4 -3,-0.8 4,-2.3 -4,-0.6 3,-0.8 0.811 72.9 69.6 -58.0 -32.7 8.7 -1.7 18.0 15 17 A H H 34 S+ 0 0 63 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.724 87.8 65.8 -57.2 -29.3 10.2 -0.3 21.2 16 18 A K H <4 S+ 0 0 134 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.924 118.4 23.8 -62.3 -40.6 13.5 0.6 19.4 17 19 A D H << S+ 0 0 104 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.726 135.9 35.5 -94.6 -25.8 11.7 3.2 17.3 18 20 A F >< - 0 0 62 -4,-2.3 3,-2.5 1,-0.1 -1,-0.2 -0.808 64.0-175.8-132.6 82.4 8.7 3.8 19.7 19 21 A P G > S+ 0 0 100 0, 0.0 3,-2.1 0, 0.0 -4,-0.1 0.708 77.9 76.8 -54.5 -22.8 9.9 3.6 23.3 20 22 A I G > S+ 0 0 57 1,-0.3 3,-2.3 2,-0.2 -5,-0.1 0.655 70.4 88.2 -64.7 -9.5 6.3 4.1 24.5 21 23 A A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.712 90.7 45.1 -58.1 -26.4 5.9 0.4 23.5 22 24 A K G < S+ 0 0 139 -3,-2.1 -1,-0.3 -7,-0.1 -2,-0.2 -0.029 94.5 132.5-107.9 28.6 7.0 -0.5 27.0 23 25 A G < - 0 0 15 -3,-2.3 3,-0.4 1,-0.1 -3,-0.0 0.063 69.9-105.8 -71.2 178.9 4.8 2.2 28.6 24 26 A E S S+ 0 0 118 1,-0.2 226,-0.2 225,-0.1 -1,-0.1 0.512 112.2 40.0 -86.4 -12.9 2.3 1.9 31.5 25 27 A R S S+ 0 0 45 224,-0.1 -1,-0.2 168,-0.1 2,-0.1 -0.170 78.8 151.7-136.2 55.1 -0.9 1.9 29.5 26 28 A Q - 0 0 4 -3,-0.4 220,-0.1 221,-0.3 170,-0.1 -0.368 33.8-104.3 -88.9 151.2 -0.2 -0.2 26.4 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.1 -2,-0.1 -0.871 75.9 42.6-123.4 159.1 -2.9 -2.2 24.5 28 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.697 65.0 177.2 -81.7-178.8 -4.2 -4.7 23.8 29 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.5 -0.896 36.6-100.3-135.6 166.0 -4.5 -6.7 27.1 30 32 A D E -a 106 0A 36 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.779 34.7-138.1 -85.4 130.3 -6.1 -10.0 28.2 31 33 A I E -a 107 0A 0 75,-3.1 77,-3.0 -2,-0.5 2,-0.8 -0.863 12.4-158.2 -93.7 107.4 -9.5 -9.4 29.8 32 34 A D >> - 0 0 62 -2,-0.8 4,-1.1 75,-0.2 3,-1.1 -0.799 3.8-158.9 -85.3 111.7 -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 0.739 86.3 54.3 -67.0 -25.0 -13.4 -11.9 33.4 34 36 A H T 34 S+ 0 0 165 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.563 112.6 43.9 -87.0 -12.3 -13.3 -12.9 37.1 35 37 A T T <4 S+ 0 0 102 -3,-1.1 2,-0.2 2,-0.1 218,-0.2 0.498 86.3 104.8-105.8 -14.6 -11.1 -9.9 38.0 36 38 A A S < S- 0 0 19 -4,-1.1 2,-0.5 216,-0.1 218,-0.2 -0.558 70.7-130.8 -69.1 138.1 -13.0 -7.3 36.0 37 39 A K E -c 254 0B 117 216,-2.0 218,-2.7 -2,-0.2 2,-0.3 -0.846 8.5-130.5 -97.8 121.2 -15.1 -5.1 38.4 38 40 A Y E -c 255 0B 80 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.574 23.5-163.0 -67.2 130.6 -18.8 -4.5 37.6 39 41 A D > - 0 0 28 216,-2.7 3,-2.2 -2,-0.3 -1,-0.1 -0.905 11.0-168.3-124.5 103.9 -19.3 -0.7 37.9 40 42 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.612 84.4 67.0 -67.1 -10.7 -23.0 0.2 38.2 41 43 A S T 3 S+ 0 0 85 2,-0.1 2,-0.3 40,-0.0 215,-0.1 0.513 75.1 103.8 -87.5 -9.3 -22.2 3.8 37.7 42 44 A L < - 0 0 29 -3,-2.2 3,-0.1 213,-0.2 -3,-0.0 -0.640 68.8-136.3 -74.0 139.4 -21.1 3.2 34.0 43 45 A K - 0 0 121 37,-1.2 39,-0.1 -2,-0.3 2,-0.1 -0.424 25.6 -89.8 -92.3 162.9 -23.9 4.4 31.6 44 46 A P - 0 0 109 0, 0.0 36,-1.6 0, 0.0 2,-0.2 -0.410 50.5-103.7 -65.5 149.5 -25.1 2.5 28.6 45 47 A L E -D 79 0B 16 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.548 26.5-147.4 -73.9 152.6 -23.3 3.3 25.4 46 48 A S E -D 78 0B 48 32,-2.7 32,-2.3 -2,-0.2 2,-0.5 -0.980 15.6-177.1-124.7 111.6 -24.9 5.6 22.9 47 49 A V E +D 77 0B 35 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.975 3.2 180.0-110.0 112.5 -24.0 4.8 19.2 48 50 A S E +D 76 0B 33 28,-2.8 28,-2.0 -2,-0.5 3,-0.1 -0.885 24.5 141.9-116.7 94.5 -25.6 7.3 16.7 49 51 A Y > + 0 0 3 -2,-0.6 3,-1.6 26,-0.2 130,-0.2 0.223 33.6 108.1-115.6 12.2 -24.5 6.1 13.3 50 52 A D T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.752 86.4 42.3 -63.1 -24.9 -27.7 6.8 11.3 51 53 A Q T 3 S+ 0 0 124 23,-0.8 -1,-0.3 -3,-0.1 24,-0.2 0.180 83.3 146.4-105.5 13.2 -26.0 9.8 9.5 52 54 A A < - 0 0 23 -3,-1.6 2,-0.5 22,-0.2 18,-0.1 -0.185 33.0-159.1 -54.5 135.8 -22.6 8.1 8.9 53 55 A T - 0 0 47 16,-0.3 16,-3.0 122,-0.1 2,-0.2 -0.897 4.6-164.7-119.9 100.8 -20.9 9.2 5.7 54 56 A S E +E 68 0B 1 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.515 12.0 173.0 -80.9 152.2 -18.3 6.7 4.5 55 57 A L E - 0 0 79 12,-3.1 118,-2.0 1,-0.4 2,-0.3 0.675 50.0 -2.6-122.2 -44.1 -15.9 8.0 1.8 56 58 A R E -EF 67 172B 87 11,-1.1 11,-2.6 116,-0.3 2,-0.4 -0.985 44.1-139.9-155.0 159.8 -13.1 5.6 1.0 57 59 A I E -EF 66 171B 0 114,-2.4 114,-2.3 -2,-0.3 2,-0.4 -0.991 28.4-174.5-125.4 137.8 -11.3 2.3 1.7 58 60 A L E -EF 65 170B 31 7,-2.4 7,-2.4 -2,-0.4 2,-0.7 -0.994 28.8-141.8-139.6 140.5 -7.5 2.1 1.7 59 61 A N E +E 64 0B 0 110,-3.1 109,-2.9 -2,-0.4 5,-0.2 -0.836 23.3 177.8 -91.0 115.8 -4.8 -0.5 2.0 60 62 A N - 0 0 31 3,-2.1 4,-0.1 -2,-0.7 -1,-0.1 0.315 54.2-100.7-106.1 9.2 -2.1 1.2 4.1 61 63 A G S S+ 0 0 13 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.360 116.2 54.8 94.5 -10.3 0.2 -1.7 4.2 62 64 A H S S- 0 0 44 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.544 123.6 -29.2-127.7 -23.3 -0.8 -2.9 7.7 63 65 A A S S- 0 0 1 -5,-0.1 -3,-2.1 164,-0.1 -1,-0.6 -0.837 71.6 -88.1-165.9-165.3 -4.5 -3.3 7.4 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 29,-0.2 2,-0.4 -0.988 35.9-155.9-121.1 131.0 -7.4 -1.7 5.4 65 67 A N E -E 58 0B 19 -7,-2.4 -7,-2.4 -2,-0.4 2,-0.6 -0.931 10.1-153.9-107.3 134.6 -9.2 1.4 6.7 66 68 A V E -EG 57 91B 0 25,-2.3 25,-2.0 -2,-0.4 2,-0.3 -0.960 27.7-152.5 -97.3 124.9 -12.7 2.5 5.8 67 69 A E E -EG 56 90B 47 -11,-2.6 -12,-3.1 -2,-0.6 -11,-1.1 -0.698 8.8-158.4-107.3 146.4 -12.7 6.3 6.3 68 70 A F E -E 54 0B 8 21,-2.7 2,-0.7 -2,-0.3 -14,-0.2 -0.842 30.0-101.9-120.8 156.5 -15.6 8.5 7.2 69 71 A D + 0 0 40 -16,-3.0 -16,-0.3 -2,-0.3 5,-0.2 -0.744 39.6 173.9 -76.6 120.5 -16.4 12.2 6.9 70 72 A D + 0 0 42 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 -0.176 44.8 109.5-115.7 30.1 -15.7 13.6 10.4 71 73 A S S S+ 0 0 78 1,-0.1 2,-0.3 56,-0.0 -1,-0.1 0.587 87.9 20.1 -82.7 -7.5 -16.2 17.3 9.6 72 74 A Q S S- 0 0 116 -3,-0.2 2,-2.2 3,-0.1 3,-0.4 -0.931 100.4 -82.4-151.3 166.2 -19.5 17.4 11.5 73 75 A D S S+ 0 0 87 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.343 77.4 128.1 -74.2 59.3 -21.2 15.3 14.2 74 76 A K S S+ 0 0 53 -2,-2.2 -23,-0.8 1,-0.3 2,-0.5 0.896 74.6 21.2 -81.9 -52.5 -22.6 12.7 11.8 75 77 A A S S+ 0 0 5 -3,-0.4 13,-2.8 13,-0.2 2,-0.3 -0.978 85.0 164.0-122.4 109.8 -21.5 9.3 13.4 76 78 A V E -DH 48 87B 7 -28,-2.0 -28,-2.8 -2,-0.5 2,-0.4 -0.921 30.9-149.9-132.3 160.9 -20.7 9.7 17.1 77 79 A L E +DH 47 86B 0 9,-2.8 9,-2.1 -2,-0.3 2,-0.3 -0.954 29.3 152.4-120.7 138.1 -20.3 7.7 20.3 78 80 A K E +D 46 0B 71 -32,-2.3 -32,-2.7 -2,-0.4 7,-0.1 -0.940 37.9 42.1-154.6 177.1 -21.1 9.0 23.7 79 81 A G E > S+D 45 0B 20 5,-0.3 3,-2.3 3,-0.3 -34,-0.3 -0.390 72.5 87.5 75.6-155.2 -22.2 7.7 27.1 80 82 A G T 3 S- 0 0 1 -36,-1.6 -37,-1.2 1,-0.3 -1,-0.1 -0.428 121.2 -28.8 63.7-136.9 -20.5 4.6 28.5 81 83 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.311 116.5 110.5 -90.7 7.5 -17.4 5.8 30.4 82 84 A L < - 0 0 11 -3,-2.3 2,-0.5 -39,-0.1 -3,-0.3 -0.599 53.7-156.2 -93.6 149.3 -17.0 8.8 28.1 83 85 A D + 0 0 130 -2,-0.2 2,-0.1 -5,-0.1 -3,-0.0 -0.971 69.7 4.7-111.4 128.5 -17.5 12.5 28.8 84 86 A G S S- 0 0 45 -2,-0.5 2,-0.4 39,-0.1 -5,-0.3 -0.278 97.8 -55.6 90.7 173.9 -18.3 14.4 25.6 85 87 A T - 0 0 33 -7,-0.1 38,-2.3 -2,-0.1 2,-0.4 -0.834 39.5-160.3-103.9 138.8 -18.9 13.4 22.1 86 88 A Y E -HI 77 122B 5 -9,-2.1 -9,-2.8 -2,-0.4 2,-0.4 -0.979 12.6-144.0-122.7 125.0 -16.5 11.3 20.0 87 89 A R E -HI 76 121B 44 34,-2.1 34,-1.9 -2,-0.4 2,-0.2 -0.785 19.8-116.0 -92.3 138.0 -16.8 11.3 16.2 88 90 A L E + I 0 120B 2 -13,-2.8 32,-0.2 -2,-0.4 -13,-0.2 -0.522 38.4 166.1 -70.6 129.3 -16.1 8.2 14.1 89 91 A I E - 0 0 34 30,-2.5 -21,-2.7 1,-0.4 2,-0.3 0.671 60.2 -19.5-111.0 -42.5 -13.1 8.8 11.8 90 92 A Q E -GI 67 119B 33 29,-1.1 29,-3.3 -23,-0.2 -1,-0.4 -0.993 46.9-145.2-161.6 158.9 -12.3 5.2 10.6 91 93 A F E +GI 66 118B 0 -25,-2.0 -25,-2.3 -2,-0.3 2,-0.3 -0.980 23.1 165.9-125.4 154.5 -12.7 1.5 11.2 92 94 A H E - I 0 117B 22 25,-2.0 25,-3.2 -2,-0.3 2,-0.3 -0.936 22.0-129.0-154.3 171.4 -10.1 -1.3 10.5 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.2 -0.849 1.5-150.9-123.6 165.5 -9.6 -5.0 11.4 94 96 A H E + I 0 115B 2 21,-2.2 21,-2.2 -2,-0.3 2,-0.3 -0.972 30.8 170.7-130.9 133.3 -6.9 -7.3 12.8 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.6 -0.912 23.0-120.0-146.1 171.0 -6.9 -11.0 11.6 96 98 A G - 0 0 0 17,-1.2 6,-0.1 5,-0.6 3,-0.1 -0.517 23.7-121.8-108.7 173.3 -5.0 -14.2 11.6 97 99 A S S S+ 0 0 47 -2,-0.2 2,-0.3 142,-0.2 5,-0.1 0.571 105.6 30.2 -81.3 -19.1 -3.5 -16.7 9.2 98 100 A L S > S- 0 0 110 3,-0.2 3,-1.7 15,-0.1 -2,-0.2 -0.928 91.0-108.1-137.9 157.5 -5.8 -19.3 10.9 99 101 A D T 3 S+ 0 0 70 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.689 110.4 66.5 -63.5 -20.6 -9.2 -19.2 12.6 100 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.389 106.3 34.7 -85.6 4.0 -7.7 -19.7 16.1 101 103 A Q < + 0 0 51 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.2 -0.963 65.4 94.4-147.4 168.8 -5.9 -16.4 16.1 102 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.100 55.3 103.8 139.5 -34.1 -6.3 -12.8 14.9 103 105 A S - 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