==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 10-DEC-04 1Y7W . COMPND 2 MOLECULE: HALOTOLERANT ALPHA-TYPE CARBONIC ANHYDRASE (DCA I . SOURCE 2 ORGANISM_SCIENTIFIC: DUNALIELLA SALINA; . AUTHOR L.PREMKUMAR,H.M.GREENBLATT,U.K.BAGESHWAR,T.SAVCHENKO,I.GOKHM . 548 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 20.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 0 0.0 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 . 47 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 0 2 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 . 8 8 2 2 0 2 0 2 2 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 . 4 2 2 0 0 0 0 0 0 2 0 0 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 N 0 0 131 0, 0.0 252,-0.1 0, 0.0 250,-0.0 0.000 360.0 360.0 360.0 -26.0 15.2 16.6 0.8 2 4 A P + 0 0 25 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.889 360.0 40.0 -65.6 -42.4 15.0 12.7 0.7 3 5 A N S S- 0 0 29 3,-0.2 79,-0.0 1,-0.1 0, 0.0 -0.712 79.4-139.6-104.2 158.8 12.9 12.3 3.8 4 6 A D S S+ 0 0 163 -2,-0.3 -1,-0.1 1,-0.1 3,-0.0 0.979 83.9 15.0 -90.8 -64.8 10.0 14.6 4.7 5 7 A G S S+ 0 0 26 212,-0.1 2,-0.3 20,-0.0 -1,-0.1 0.395 124.0 32.5 -93.4 11.2 9.6 15.6 8.2 6 8 A Y - 0 0 42 211,-0.1 2,-0.3 12,-0.0 -3,-0.2 -0.961 54.9-162.9-156.5 168.3 13.0 14.5 9.5 7 9 A D - 0 0 68 -2,-0.3 5,-0.4 -5,-0.1 3,-0.3 -0.857 32.1-112.5-146.7 179.8 16.8 14.1 8.8 8 10 A Y S > S+ 0 0 7 -2,-0.3 3,-1.6 1,-0.2 250,-0.2 0.214 75.5 112.7-104.5 14.8 19.8 12.2 10.1 9 11 A M T 3 S+ 0 0 69 1,-0.3 -1,-0.2 2,-0.1 522,-0.1 0.875 95.8 25.6 -57.0 -36.0 21.8 15.2 11.3 10 12 A Q T > S- 0 0 20 -3,-0.3 3,-2.3 250,-0.0 -1,-0.3 0.140 111.5-114.5-112.3 20.7 21.4 14.1 14.9 11 13 A H T < S- 0 0 18 -3,-1.6 249,-3.0 1,-0.3 -3,-0.1 0.823 77.0 -52.8 50.1 37.9 20.9 10.4 14.1 12 14 A G T > S+ 0 0 3 -5,-0.4 3,-0.6 247,-0.2 -1,-0.3 0.475 104.6 126.2 82.1 1.1 17.4 10.7 15.4 13 15 A F T < S+ 0 0 52 -3,-2.3 4,-0.2 1,-0.2 -2,-0.1 0.837 82.0 44.5 -58.2 -34.2 18.3 12.2 18.7 14 16 A D T >> S+ 0 0 35 1,-0.1 3,-1.0 2,-0.1 4,-0.8 0.606 90.3 87.9 -83.0 -18.1 15.8 15.0 17.8 15 17 A W G X4 S+ 0 0 0 -3,-0.6 3,-1.0 1,-0.2 11,-0.4 0.854 83.0 52.7 -54.6 -48.1 13.0 12.9 16.5 16 18 A P G 34 S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 14,-0.1 0.749 113.0 47.0 -62.0 -23.9 11.1 12.2 19.7 17 19 A G G <4 S+ 0 0 40 -3,-1.0 -2,-0.2 -4,-0.2 -3,-0.1 0.550 78.6 121.3 -97.2 -6.0 10.9 15.9 20.5 18 20 A L << + 0 0 46 -3,-1.0 7,-2.6 -4,-0.8 8,-0.6 -0.366 38.5 176.6 -63.2 132.9 9.8 17.3 17.1 19 21 A Q E -A 24 0A 114 5,-0.3 2,-0.4 6,-0.1 5,-0.2 -0.971 18.8-170.6-136.8 149.5 6.5 19.2 17.5 20 22 A E E > S+A 23 0A 126 3,-2.5 3,-0.6 -2,-0.3 -2,-0.0 -0.938 80.1 1.0-144.5 118.9 4.3 21.1 15.1 21 23 A G T 3 S- 0 0 79 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.917 129.9 -60.7 72.0 43.4 1.4 23.2 16.3 22 24 A G T 3 S+ 0 0 68 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.647 115.9 119.2 56.5 16.1 2.2 22.3 19.9 23 25 A T E < S-A 20 0A 93 -3,-0.6 -3,-2.5 0, 0.0 2,-0.2 -0.957 71.1-118.3-116.0 125.3 1.6 18.6 18.8 24 26 A T E -A 19 0A 57 -2,-0.5 -5,-0.3 -5,-0.2 -6,-0.1 -0.384 21.1-155.9 -62.0 127.3 4.3 15.9 19.0 25 27 A K S S+ 0 0 62 -7,-2.6 -1,-0.1 1,-0.2 -6,-0.1 0.927 82.5 24.0 -74.7 -41.0 5.0 14.7 15.6 26 28 A Y > + 0 0 35 -8,-0.6 3,-1.6 -11,-0.4 4,-0.3 -0.552 62.9 163.0-129.8 69.4 6.4 11.2 16.4 27 29 A P G > S+ 0 0 91 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.830 75.9 59.5 -57.3 -31.9 5.1 10.1 19.7 28 30 A A G > S+ 0 0 43 1,-0.3 3,-2.0 190,-0.2 191,-0.1 0.706 86.7 75.1 -75.1 -15.3 6.0 6.4 19.1 29 31 A a G < S+ 0 0 2 -3,-1.6 -1,-0.3 1,-0.3 190,-0.1 0.611 92.0 58.1 -69.6 -8.4 9.7 7.3 18.6 30 32 A S G < S+ 0 0 79 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.303 83.9 123.0 -97.9 3.4 9.7 7.6 22.4 31 33 A G < - 0 0 35 -3,-2.0 3,-0.3 188,-0.1 -3,-0.0 0.057 68.6-121.7 -58.4 175.5 8.6 4.0 23.0 32 34 A S S S+ 0 0 82 1,-0.2 234,-0.3 230,-0.0 235,-0.3 0.399 103.3 58.6-102.9 4.6 10.4 1.4 25.1 33 35 A N S S+ 0 0 49 232,-0.1 -1,-0.2 233,-0.1 2,-0.1 -0.352 79.7 152.6-122.2 47.9 10.9 -1.3 22.3 34 36 A Q - 0 0 3 229,-0.4 228,-0.2 -3,-0.3 181,-0.1 -0.420 33.2-100.0 -83.1 159.2 12.8 0.9 19.9 35 37 A S S S+ 0 0 0 179,-0.5 2,-0.2 -2,-0.1 228,-0.1 -0.913 77.6 42.9-126.7 156.1 15.4 -0.0 17.2 36 38 A P + 0 0 0 0, 0.0 226,-2.4 0, 0.0 2,-0.3 0.538 65.5 168.8 -80.5-178.3 18.2 -0.2 16.5 37 39 A I - 0 0 1 224,-0.3 85,-1.2 -2,-0.2 2,-0.3 -0.889 39.9 -92.2-146.8 167.8 20.1 -1.7 19.4 38 40 A D E -b 122 0B 49 224,-0.4 2,-0.7 -2,-0.3 85,-0.2 -0.695 32.9-142.6 -82.7 141.2 23.5 -3.1 20.3 39 41 A I E -b 123 0B 0 83,-2.5 85,-3.0 -2,-0.3 2,-0.9 -0.902 14.1-168.2-108.1 106.4 23.8 -6.9 19.9 40 42 A N > - 0 0 64 -2,-0.7 3,-2.0 83,-0.2 4,-0.3 -0.835 6.8-159.9 -96.2 104.2 26.0 -8.2 22.7 41 43 A T G > S+ 0 0 37 -2,-0.9 3,-0.8 1,-0.3 -1,-0.2 0.757 86.7 60.4 -62.4 -22.3 26.7 -11.7 21.7 42 44 A N G 3 S+ 0 0 152 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.640 106.0 49.8 -78.9 -10.6 27.7 -12.8 25.2 43 45 A Q G < S+ 0 0 120 -3,-2.0 226,-0.4 2,-0.0 -1,-0.2 0.309 77.8 127.2-105.3 7.9 24.2 -11.8 26.5 44 46 A L < - 0 0 10 -3,-0.8 226,-0.3 -4,-0.3 2,-0.2 -0.453 48.8-143.7 -70.2 138.3 22.1 -13.6 23.9 45 47 A M B -d 270 0C 65 224,-2.5 226,-2.7 -2,-0.1 -1,-0.1 -0.468 25.5 -86.5 -96.8 166.6 19.4 -15.9 25.4 46 48 A E > - 0 0 109 224,-0.2 3,-1.8 -2,-0.2 4,-0.2 -0.500 34.9-123.7 -73.9 139.4 18.0 -19.2 24.2 47 49 A P G > S+ 0 0 42 0, 0.0 3,-2.0 0, 0.0 6,-0.2 0.843 107.8 61.8 -52.8 -39.5 15.2 -19.1 21.7 48 50 A S G 3 S+ 0 0 118 1,-0.3 -2,-0.0 6,-0.0 222,-0.0 0.723 95.6 62.9 -64.6 -16.5 12.8 -21.2 23.8 49 51 A S G < S+ 0 0 64 -3,-1.8 2,-0.7 2,-0.1 -1,-0.3 0.508 80.6 99.0 -84.8 -0.2 13.0 -18.5 26.5 50 52 A R X - 0 0 14 -3,-2.0 3,-0.6 -4,-0.2 2,-0.3 -0.775 68.9-144.8 -89.4 113.2 11.4 -15.9 24.2 51 53 A S T 3 S+ 0 0 110 -2,-0.7 -2,-0.1 1,-0.2 -3,-0.0 -0.568 74.1 6.7 -78.8 137.7 7.7 -15.6 24.9 52 54 A G T 3 S+ 0 0 44 -2,-0.3 49,-2.6 48,-0.1 2,-0.3 0.295 113.9 70.2 83.3 -10.2 5.4 -14.9 21.9 53 55 A T B < -N 100 0D 8 -3,-0.6 47,-0.2 47,-0.2 2,-0.1 -0.985 57.6-160.1-146.7 131.4 7.8 -15.3 18.9 54 56 A S - 0 0 40 45,-1.9 3,-0.1 -2,-0.3 -6,-0.0 -0.456 40.8 -76.9 -97.8 176.4 9.6 -18.3 17.4 55 57 A A - 0 0 38 -2,-0.1 44,-0.5 1,-0.1 2,-0.3 -0.240 57.4-102.4 -60.5 157.4 12.7 -18.5 15.1 56 58 A V - 0 0 14 42,-0.1 2,-0.8 -3,-0.1 42,-0.2 -0.657 19.9-139.0 -86.2 140.7 12.0 -17.6 11.5 57 59 A S B -O 97 0D 59 40,-2.8 40,-1.8 -2,-0.3 -3,-0.0 -0.935 16.6-160.8 -95.0 107.3 11.7 -20.5 9.1 58 60 A L > + 0 0 15 -2,-0.8 3,-2.4 38,-0.2 4,-0.2 0.746 27.0 162.1 -63.6 -27.4 13.6 -18.8 6.2 59 61 A N G > + 0 0 76 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 -0.149 69.4 11.5 44.6-122.7 12.0 -21.2 3.6 60 62 A G G > S+ 0 0 1 34,-2.8 11,-2.5 1,-0.3 3,-1.1 0.663 122.1 66.5 -58.4 -25.1 12.4 -19.8 0.1 61 63 A L G < S+ 0 0 2 -3,-2.4 -1,-0.3 33,-0.3 140,-0.2 0.822 106.1 43.0 -65.5 -29.2 14.8 -17.0 1.3 62 64 A N G < S+ 0 0 46 -3,-1.8 2,-0.4 -4,-0.2 -1,-0.2 0.047 97.2 85.9-106.8 25.7 17.4 -19.7 2.1 63 65 A V S < S- 0 0 44 -3,-1.1 8,-0.6 -5,-0.2 134,-0.5 -0.999 95.2 -94.7-125.2 126.9 17.0 -21.9 -1.0 64 66 A D > - 0 0 63 -2,-0.4 3,-2.4 6,-0.2 6,-0.1 -0.116 33.3-128.9 -38.2 125.1 19.0 -21.1 -4.1 65 67 A G T 3 S+ 0 0 9 1,-0.3 5,-0.2 6,-0.2 -1,-0.2 0.717 106.2 67.4 -56.8 -21.8 16.7 -19.0 -6.3 66 68 A A T 3 S+ 0 0 83 5,-0.1 -1,-0.3 3,-0.1 2,-0.1 0.664 90.0 88.0 -71.1 -16.7 17.4 -21.3 -9.3 67 69 A Q S X S- 0 0 113 -3,-2.4 3,-1.8 1,-0.1 -4,-0.1 -0.437 91.7-112.9 -83.8 156.5 15.6 -24.0 -7.3 68 70 A A T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.1 -8,-0.0 0.907 118.5 34.9 -55.9 -46.6 11.9 -24.7 -7.4 69 71 A D T 3 S+ 0 0 82 -5,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.070 98.6 104.2-101.8 32.3 11.4 -23.7 -3.8 70 72 A G < - 0 0 10 -3,-1.8 2,-0.4 -5,-0.2 -9,-0.2 -0.897 70.0-124.0-110.6 139.5 14.0 -20.9 -3.9 71 73 A I - 0 0 9 -11,-2.5 125,-1.4 -8,-0.6 2,-0.5 -0.686 22.5-174.2 -90.1 132.7 13.0 -17.3 -4.1 72 74 A T E -Q 195 0E 50 -2,-0.4 2,-0.6 123,-0.2 123,-0.2 -0.991 25.8-131.5-120.6 127.8 14.1 -14.9 -6.8 73 75 A L E -Q 194 0E 5 121,-3.1 121,-2.3 -2,-0.5 3,-0.3 -0.684 36.1-163.3 -78.2 119.8 13.2 -11.3 -6.5 74 76 A T + 0 0 53 -2,-0.6 15,-3.0 15,-0.4 3,-0.1 -0.734 58.7 19.6-112.1 156.0 11.8 -10.4 -10.0 75 77 A N S S- 0 0 76 -2,-0.3 -1,-0.2 13,-0.2 117,-0.1 0.936 87.2-171.9 56.7 42.2 11.1 -7.2 -11.9 76 78 A A - 0 0 1 -3,-0.3 115,-2.0 115,-0.3 2,-0.3 -0.375 11.5-177.4 -69.1 146.7 13.5 -5.6 -9.4 77 79 A K E -EF 87 190C 70 10,-2.2 10,-2.1 113,-0.3 2,-0.4 -0.982 11.7-150.3-143.3 149.0 13.9 -1.8 -9.4 78 80 A V E -EF 86 189C 0 111,-2.2 111,-2.5 -2,-0.3 2,-0.6 -0.937 14.3-131.1-125.4 147.2 16.1 0.5 -7.3 79 81 A D - 0 0 20 6,-2.3 2,-1.8 -2,-0.4 108,-0.3 -0.870 18.6-139.2 -95.1 127.8 15.5 4.1 -6.2 80 82 A L S S+ 0 0 0 106,-3.2 105,-2.9 -2,-0.6 2,-0.3 -0.507 71.6 74.4 -87.8 70.6 18.5 6.3 -7.0 81 83 A E S > S- 0 0 47 -2,-1.8 3,-2.3 103,-0.1 165,-0.3 -0.920 95.4 -29.6-158.1-177.5 18.6 8.3 -3.8 82 84 A Q T 3 S+ 0 0 18 164,-0.4 3,-0.4 -2,-0.3 173,-0.1 -0.136 128.2 14.5 -44.1 131.8 19.5 7.9 -0.2 83 85 A G T 3 S- 0 0 7 1,-0.2 31,-2.8 172,-0.1 -1,-0.2 0.120 95.2-126.5 88.4 -22.1 19.1 4.3 1.1 84 86 A M < - 0 0 0 -3,-2.3 -1,-0.2 29,-0.2 -2,-0.1 0.869 30.1-153.6 44.2 54.7 18.8 2.9 -2.4 85 87 A K - 0 0 80 -3,-0.4 -6,-2.3 28,-0.1 2,-0.4 -0.328 5.1-153.7 -58.2 139.0 15.5 1.1 -1.9 86 88 A V E -EG 78 112C 0 26,-3.1 26,-2.1 -8,-0.2 2,-0.3 -0.943 13.6-177.6-119.5 128.7 14.9 -2.0 -4.1 87 89 A T E +E 77 0C 42 -10,-2.1 -10,-2.2 -2,-0.4 2,-0.3 -0.778 7.1 164.7-118.5 168.7 11.4 -3.1 -4.8 88 90 A F - 0 0 24 22,-0.4 -13,-0.2 -2,-0.3 -12,-0.2 -0.966 47.9 -55.4-170.2 174.3 10.2 -6.1 -6.9 89 91 A D - 0 0 74 -15,-3.0 -15,-0.4 -2,-0.3 -13,-0.0 -0.460 69.4 -99.9 -64.0 139.6 7.2 -8.3 -7.6 90 92 A Q - 0 0 133 -2,-0.1 -1,-0.1 -17,-0.1 20,-0.1 -0.451 35.9-123.6 -65.3 123.9 5.8 -9.6 -4.3 91 93 A P + 0 0 18 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.360 30.3 179.8 -62.8 149.0 6.9 -13.2 -3.8 92 94 A A + 0 0 88 1,-0.1 2,-0.3 16,-0.1 3,-0.1 0.399 53.6 59.9-134.3 2.6 4.0 -15.6 -3.3 93 95 A A S S+ 0 0 58 1,-0.1 -1,-0.1 -23,-0.0 -33,-0.0 -0.947 100.1 14.6-132.7 155.6 5.5 -19.0 -2.8 94 96 A N S S- 0 0 68 -2,-0.3 -34,-2.8 1,-0.2 -33,-0.3 0.821 81.7-177.7 55.0 35.5 7.9 -20.6 -0.3 95 97 A L - 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