==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE(OXO-ACID) 31-AUG-93 1BCD . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.HAKANSSON,A.LILJAS . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 62.8 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 . 22 8.5 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 . 16 6.2 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 . 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 3 A H 0 0 233 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-150.8 13.6 -0.8 8.3 2 4 A H - 0 0 119 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.232 360.0 -92.7 -77.5 164.8 10.0 0.3 8.9 3 5 A W + 0 0 38 2,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.377 58.3 128.4 -73.2 155.0 7.7 -1.5 11.3 4 6 A G - 0 0 11 5,-2.2 10,-0.1 2,-0.2 58,-0.1 -0.769 67.2 -77.6-171.8-149.8 5.3 -4.2 10.4 5 7 A Y S S+ 0 0 32 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.173 83.0 113.1-121.8 15.2 4.4 -7.7 11.6 6 8 A G S > S- 0 0 38 4,-0.1 4,-1.4 1,-0.1 3,-0.3 -0.198 83.4 -96.3 -79.0 177.9 7.3 -9.7 10.1 7 9 A K T 4 S+ 0 0 146 1,-0.2 5,-0.1 2,-0.2 -1,-0.1 0.833 122.8 40.5 -62.8 -37.1 10.0 -11.5 12.0 8 10 A H T 4 S+ 0 0 166 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.592 129.3 25.1 -91.7 -12.2 12.4 -8.7 11.7 9 11 A N T 4 S+ 0 0 55 -3,-0.3 -5,-2.2 -6,-0.1 -2,-0.2 0.278 94.5 126.2-135.1 9.9 10.1 -5.6 12.2 10 12 A G S >X S- 0 0 0 -4,-1.4 3,-2.7 -7,-0.2 4,-0.6 0.077 80.8 -73.0 -67.1 176.9 7.3 -7.2 14.3 11 13 A P G >4 S+ 0 0 26 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.725 125.5 64.6 -45.6 -30.6 5.8 -6.2 17.6 12 14 A E G 34 S+ 0 0 98 1,-0.3 3,-0.1 2,-0.1 -5,-0.0 0.645 106.3 42.8 -72.1 -13.9 8.9 -7.4 19.5 13 15 A H G X4 S+ 0 0 52 -3,-2.7 3,-1.6 1,-0.1 4,-0.5 0.561 84.8 94.2-106.4 -14.1 11.1 -4.8 17.9 14 16 A W G XX S+ 0 0 5 -3,-0.8 4,-2.2 -4,-0.6 3,-1.2 0.782 72.6 68.9 -50.8 -40.0 8.8 -1.7 18.1 15 17 A H G 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.723 86.6 69.3 -51.5 -31.1 10.2 -0.4 21.3 16 18 A K G <4 S+ 0 0 134 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.915 117.4 21.1 -60.8 -37.4 13.5 0.4 19.5 17 19 A D T <4 S+ 0 0 122 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.693 135.6 38.3-102.5 -20.9 11.8 3.2 17.6 18 20 A F >< - 0 0 60 -4,-2.2 3,-2.6 1,-0.1 -1,-0.2 -0.776 63.7-178.1-133.5 78.7 8.8 3.8 19.9 19 21 A P G > S+ 0 0 100 0, 0.0 3,-2.1 0, 0.0 -4,-0.1 0.709 77.5 76.7 -52.8 -24.1 10.0 3.5 23.5 20 22 A I G > S+ 0 0 55 1,-0.3 3,-2.6 2,-0.2 -5,-0.1 0.709 71.3 88.3 -63.4 -14.2 6.4 4.1 24.7 21 23 A A G < S+ 0 0 6 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.793 90.7 44.0 -49.4 -36.4 6.0 0.4 23.6 22 24 A K G < S+ 0 0 137 -3,-2.1 -1,-0.3 -7,-0.1 -2,-0.2 -0.045 95.9 132.0 -98.9 24.5 7.0 -0.6 27.1 23 25 A G < - 0 0 17 -3,-2.6 3,-0.5 1,-0.1 -3,-0.0 -0.050 69.7-104.7 -67.7-177.9 4.8 2.1 28.6 24 26 A E S S+ 0 0 116 1,-0.2 226,-0.2 225,-0.1 -1,-0.1 0.553 111.8 40.3 -87.2 -14.1 2.4 1.9 31.5 25 27 A R S S+ 0 0 47 224,-0.1 -1,-0.2 168,-0.1 2,-0.1 -0.252 80.2 155.1-138.1 52.0 -0.9 2.0 29.6 26 28 A Q - 0 0 3 -3,-0.5 220,-0.1 221,-0.3 170,-0.1 -0.363 32.5-107.3 -82.1 143.9 -0.2 -0.2 26.6 27 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.1 -2,-0.1 -0.907 75.3 42.9-123.3 154.6 -2.8 -2.1 24.6 28 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.650 64.2 176.2 -83.7 176.4 -4.1 -4.7 23.9 29 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.901 36.3-100.5-131.1 167.2 -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 -0.714 35.1-135.3 -88.9 133.7 -6.0 -10.0 28.2 31 33 A I E -a 107 0A 0 75,-3.1 77,-3.3 -2,-0.4 2,-0.9 -0.856 13.2-159.8 -94.0 111.8 -9.5 -9.5 29.8 32 34 A D >> - 0 0 61 -2,-0.8 4,-1.3 75,-0.2 3,-0.6 -0.814 3.3-161.5 -91.2 104.2 -9.7 -11.7 32.9 33 35 A T T 34 S+ 0 0 48 -2,-0.9 -1,-0.1 1,-0.2 222,-0.0 0.699 85.4 53.1 -63.9 -21.5 -13.5 -11.9 33.3 34 36 A H T 34 S+ 0 0 161 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.0 0.720 113.3 43.0 -88.8 -22.4 -13.3 -12.9 37.0 35 37 A T T <4 S+ 0 0 105 -3,-0.6 218,-0.2 2,-0.1 -2,-0.2 0.548 87.6 104.9 -96.5 -16.0 -11.1 -10.0 38.0 36 38 A A S < S- 0 0 19 -4,-1.3 2,-0.5 216,-0.1 218,-0.2 -0.542 71.4-128.3 -64.8 141.8 -13.0 -7.3 35.9 37 39 A K E -c 254 0B 117 216,-2.3 218,-2.7 -2,-0.1 2,-0.3 -0.812 8.2-130.0-100.7 124.3 -15.1 -5.1 38.3 38 40 A Y E -c 255 0B 81 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.572 26.3-167.6 -66.2 126.2 -18.8 -4.5 37.6 39 41 A D > - 0 0 30 216,-2.9 3,-1.7 -2,-0.3 -1,-0.1 -0.927 12.2-171.1-124.6 104.8 -19.1 -0.7 37.9 40 42 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.451 80.6 72.4 -73.5 -1.3 -22.8 0.3 38.0 41 43 A S T 3 S+ 0 0 81 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.523 75.4 99.7 -87.2 -13.8 -21.9 4.0 37.6 42 44 A L S < S- 0 0 27 -3,-1.7 3,-0.1 213,-0.2 -3,-0.0 -0.701 70.2-139.2 -78.2 137.1 -21.0 3.3 34.0 43 45 A K - 0 0 116 37,-1.1 2,-0.1 -2,-0.4 39,-0.1 -0.376 26.7 -89.2 -89.9 160.4 -23.8 4.4 31.6 44 46 A P - 0 0 110 0, 0.0 36,-1.5 0, 0.0 2,-0.2 -0.422 51.1-101.4 -67.5 146.7 -24.9 2.5 28.5 45 47 A L E -D 79 0B 18 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.498 26.6-146.0 -68.7 152.8 -23.1 3.4 25.4 46 48 A S E -D 78 0B 50 32,-2.5 32,-2.4 -2,-0.2 2,-0.5 -0.991 15.9-174.6-123.7 107.6 -24.8 5.7 22.9 47 49 A V E -D 77 0B 34 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.970 3.9-179.2-108.3 112.0 -24.0 4.8 19.3 48 50 A S E +D 76 0B 34 28,-3.5 28,-2.1 -2,-0.5 3,-0.2 -0.824 25.7 139.7-118.7 91.6 -25.4 7.4 16.7 49 51 A Y > + 0 0 3 -2,-0.6 3,-1.4 26,-0.2 130,-0.2 0.177 34.6 105.4-112.6 11.4 -24.4 6.2 13.3 50 52 A D T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.730 87.4 43.7 -68.1 -18.4 -27.6 6.9 11.3 51 53 A Q T 3 S+ 0 0 125 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.258 83.9 143.3-106.1 6.8 -26.0 9.9 9.6 52 54 A A < - 0 0 23 -3,-1.4 2,-0.5 22,-0.2 -3,-0.1 -0.102 34.2-160.9 -51.0 139.2 -22.7 8.2 8.9 53 55 A T - 0 0 49 16,-0.3 16,-2.9 122,-0.1 2,-0.2 -0.884 3.2-162.6-127.0 101.6 -21.0 9.1 5.6 54 56 A S E +E 68 0B 1 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.526 12.5 174.2 -83.3 149.4 -18.4 6.6 4.5 55 57 A L E - 0 0 76 12,-3.4 118,-1.9 1,-0.4 2,-0.3 0.713 49.8 -7.5-120.9 -43.9 -16.0 7.9 1.8 56 58 A R E -EF 67 172B 84 11,-1.2 11,-2.9 116,-0.3 2,-0.4 -0.990 44.4-136.5-158.2 162.3 -13.3 5.5 0.9 57 59 A I E -EF 66 171B 0 114,-2.7 114,-2.4 -2,-0.3 2,-0.4 -0.975 28.9-175.1-125.5 134.4 -11.5 2.3 1.7 58 60 A L E -EF 65 170B 29 7,-2.3 7,-3.0 -2,-0.4 2,-0.7 -1.000 28.1-140.2-135.5 149.3 -7.7 2.2 1.6 59 61 A N E +E 64 0B 0 110,-2.7 109,-3.2 -2,-0.4 5,-0.2 -0.865 21.7 179.1 -99.3 113.6 -4.9 -0.4 2.0 60 62 A N - 0 0 32 3,-1.9 4,-0.1 -2,-0.7 -1,-0.1 0.281 54.5-102.0-102.5 5.1 -2.3 1.5 4.1 61 63 A G S S+ 0 0 13 2,-0.6 3,-0.1 166,-0.2 106,-0.1 0.484 115.8 57.7 90.0 0.2 0.0 -1.5 4.1 62 64 A H S S- 0 0 43 1,-0.7 2,-0.3 -58,-0.1 166,-0.1 0.528 122.9 -28.2-130.2 -20.6 -0.8 -2.7 7.6 63 65 A A S S- 0 0 1 -5,-0.1 -3,-1.9 164,-0.1 -1,-0.7 -0.822 72.0 -89.3-171.2-170.9 -4.6 -3.1 7.4 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 29,-0.2 2,-0.4 -0.985 35.8-155.3-121.5 128.7 -7.5 -1.7 5.3 65 67 A N E -E 58 0B 18 -7,-3.0 -7,-2.3 -2,-0.4 2,-0.6 -0.931 10.3-155.7-106.0 135.6 -9.3 1.4 6.6 66 68 A V E -EG 57 91B 0 25,-2.6 25,-2.0 -2,-0.4 2,-0.3 -0.965 28.4-154.8-101.3 120.7 -12.9 2.4 5.7 67 69 A E E -EG 56 90B 48 -11,-2.9 -12,-3.4 -2,-0.6 -11,-1.2 -0.732 8.5-158.7-102.7 151.5 -12.9 6.3 6.3 68 70 A F E -E 54 0B 8 21,-2.5 2,-0.7 -2,-0.3 -14,-0.2 -0.769 31.8 -95.6-121.9 160.7 -15.8 8.5 7.1 69 71 A D + 0 0 37 -16,-2.9 6,-0.3 -2,-0.3 -16,-0.3 -0.722 41.1 172.9 -78.0 117.1 -16.5 12.2 6.9 70 72 A D + 0 0 41 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 -0.067 45.9 107.9-112.0 29.1 -15.7 13.6 10.3 71 73 A S S S+ 0 0 80 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.565 90.5 18.5 -79.1 -10.9 -16.1 17.4 9.5 72 74 A Q S S- 0 0 114 -3,-0.2 2,-2.5 3,-0.0 3,-0.5 -0.960 99.6 -82.5-150.1 168.1 -19.3 17.3 11.5 73 75 A D S S+ 0 0 87 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.359 76.1 128.7 -73.9 64.3 -21.1 15.3 14.2 74 76 A K S S+ 0 0 54 -2,-2.5 -23,-0.8 1,-0.3 2,-0.6 0.930 75.1 23.2 -87.0 -50.3 -22.5 12.7 11.7 75 77 A A S S+ 0 0 5 -3,-0.5 13,-3.4 -6,-0.3 2,-0.3 -0.945 84.9 167.0-122.4 110.7 -21.4 9.4 13.4 76 78 A V E -DH 48 87B 7 -28,-2.1 -28,-3.5 -2,-0.6 2,-0.4 -0.910 29.4-153.7-131.6 156.8 -20.8 9.7 17.1 77 79 A L E +DH 47 86B 0 9,-3.2 9,-2.2 -2,-0.3 2,-0.3 -0.951 28.3 150.1-119.3 138.1 -20.2 7.7 20.2 78 80 A K E +D 46 0B 73 -32,-2.4 -32,-2.5 -2,-0.4 2,-0.1 -0.941 37.5 42.9-155.6 177.9 -21.0 9.1 23.7 79 81 A G E > S+D 45 0B 21 5,-0.3 3,-2.6 3,-0.3 -34,-0.3 -0.455 71.8 87.5 78.4-152.0 -22.0 7.8 27.2 80 82 A G T 3 S- 0 0 0 -36,-1.5 -37,-1.1 1,-0.3 -1,-0.1 -0.410 122.4 -28.2 57.5-135.2 -20.4 4.6 28.6 81 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.312 117.0 109.8 -91.5 6.1 -17.3 5.9 30.4 82 84 A L < - 0 0 12 -3,-2.6 2,-0.5 -39,-0.1 -3,-0.3 -0.551 53.3-156.2 -91.2 150.6 -16.9 8.9 28.1 83 85 A D + 0 0 138 -2,-0.2 2,-0.1 53,-0.1 -5,-0.0 -0.996 68.4 3.1-117.1 121.0 -17.5 12.6 28.7 84 86 A G S S- 0 0 47 -2,-0.5 2,-0.4 39,-0.1 -5,-0.3 -0.347 98.7 -48.8 93.0 176.8 -18.2 14.5 25.5 85 87 A T - 0 0 29 -7,-0.1 38,-2.7 -2,-0.1 2,-0.5 -0.845 40.4-160.3 -99.5 130.0 -18.8 13.5 21.9 86 88 A Y E -HI 77 122B 6 -9,-2.2 -9,-3.2 -2,-0.4 2,-0.4 -0.947 13.2-144.8-116.7 122.5 -16.5 11.3 20.0 87 89 A R E -HI 76 121B 46 34,-2.3 34,-1.6 -2,-0.5 2,-0.3 -0.793 18.4-119.3 -90.3 128.7 -16.7 11.4 16.2 88 90 A L E + I 0 120B 2 -13,-3.4 32,-0.3 -2,-0.4 -13,-0.2 -0.533 37.4 167.6 -67.0 127.6 -16.2 8.2 14.1 89 91 A I E - 0 0 33 30,-2.8 -21,-2.5 1,-0.4 2,-0.3 0.655 59.1 -24.8-104.8 -49.0 -13.1 8.7 11.8 90 92 A Q E -GI 67 119B 31 29,-1.3 29,-3.1 -23,-0.2 -1,-0.4 -0.993 47.6-143.6-159.7 163.5 -12.4 5.2 10.4 91 93 A F E +GI 66 118B 0 -25,-2.0 -25,-2.6 -2,-0.3 2,-0.3 -0.961 24.6 161.2-130.0 153.5 -12.8 1.4 11.1 92 94 A H E - I 0 117B 22 25,-1.9 25,-2.9 -2,-0.3 2,-0.3 -0.934 24.7-123.3-157.9 177.0 -10.3 -1.4 10.3 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 23,-0.2 -0.877 1.5-149.3-128.5 167.4 -9.6 -5.0 11.4 94 96 A H E + I 0 115B 1 21,-1.8 21,-2.5 -2,-0.3 2,-0.3 -0.973 33.1 165.3-127.7 133.4 -6.8 -7.2 12.8 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.0 19,-0.2 145,-0.9 -0.910 23.8-119.6-147.7 176.1 -6.9 -10.9 11.7 96 98 A G - 0 0 0 17,-1.2 6,-0.1 5,-0.6 3,-0.1 -0.550 24.1-117.8-117.5 179.9 -4.9 -14.1 11.6 97 99 A S S S+ 0 0 46 -2,-0.2 2,-0.3 142,-0.1 -1,-0.1 0.636 105.2 31.5 -83.4 -21.4 -3.4 -16.7 9.2 98 100 A L S > S- 0 0 111 3,-0.1 3,-1.7 15,-0.1 -2,-0.1 -0.925 90.0-109.4-131.4 159.6 -5.6 -19.3 10.9 99 101 A D T 3 S+ 0 0 69 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.666 110.3 64.6 -66.4 -15.5 -9.0 -19.2 12.5 100 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.341 106.5 38.9 -91.2 8.6 -7.6 -19.7 16.1 101 103 A Q < + 0 0 52 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.1 -0.941 64.9 93.6-146.7 164.7 -5.7 -16.4 16.1 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 -0.010 56.1 102.5 145.0 -41.2 -6.2 -12.8 14.9 103 105 A S - 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