==== 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) 28-NOV-93 1AZM . COMPND 2 MOLECULE: CARBONIC ANHYDRASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.CHAKRAVARTY,K.K.KANNAN . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11806.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 58.1 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 . 57 22.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 3 1.2 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 . 14 5.4 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 . 15 5.8 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 . 1 4 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 P 0 0 131 0, 0.0 16,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.2 40.0 23.1 -30.7 2 4 A D + 0 0 67 1,-0.1 2,-0.3 0, 0.0 0, 0.0 0.883 360.0 131.0 33.9 88.9 43.4 24.5 -29.6 3 5 A W + 0 0 44 196,-0.1 2,-0.2 14,-0.0 7,-0.2 -0.895 23.3 157.7-149.9 158.0 42.9 25.5 -26.0 4 6 A G - 0 0 10 5,-2.7 10,-0.1 -2,-0.3 238,-0.0 -0.804 51.9 -92.0-159.7-155.4 45.2 24.6 -23.0 5 7 A Y S S+ 0 0 15 -2,-0.2 5,-0.2 5,-0.2 238,-0.1 0.291 84.8 103.5-120.7 2.3 46.3 25.5 -19.5 6 8 A D S > S- 0 0 85 4,-0.1 4,-1.4 1,-0.1 3,-0.4 -0.342 90.0 -96.6 -84.8 167.5 49.3 27.7 -20.5 7 9 A D T 4 S+ 0 0 154 1,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.794 120.6 52.8 -52.2 -36.0 49.2 31.5 -20.4 8 10 A K T 4 S+ 0 0 173 1,-0.2 -1,-0.2 4,-0.0 -3,-0.0 0.842 128.8 11.9 -65.7 -52.5 48.4 31.8 -24.1 9 11 A N T 4 S+ 0 0 58 -3,-0.4 -5,-2.7 -6,-0.0 -2,-0.2 0.073 99.8 127.3-122.6 20.8 45.4 29.5 -24.3 10 12 A G S >X S- 0 0 3 -4,-1.4 3,-2.1 -7,-0.2 4,-1.1 0.168 78.8 -75.0 -71.2-175.8 44.5 29.0 -20.6 11 13 A P T 34 S+ 0 0 31 0, 0.0 4,-0.4 0, 0.0 -6,-0.1 0.750 127.2 61.3 -53.0 -33.6 41.4 29.4 -18.6 12 14 A E T 34 S+ 0 0 147 1,-0.2 -5,-0.1 2,-0.1 -7,-0.0 0.586 112.7 37.5 -74.0 -10.1 41.7 33.2 -18.6 13 15 A Q T X4 S+ 0 0 75 -3,-2.1 3,-2.1 2,-0.1 4,-0.4 0.525 87.2 92.2-113.1 -21.9 41.5 33.1 -22.4 14 16 A W G >X S+ 0 0 5 -4,-1.1 4,-2.8 1,-0.3 3,-0.8 0.730 76.3 69.9 -47.2 -33.9 38.8 30.4 -23.0 15 17 A S G 34 S+ 0 0 38 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.837 90.1 64.1 -55.7 -35.7 36.1 33.0 -23.0 16 18 A K G <4 S+ 0 0 158 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.825 116.9 23.2 -56.1 -44.4 37.4 34.2 -26.3 17 19 A L T <4 S+ 0 0 122 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.638 132.1 40.4 -94.9 -28.7 36.7 31.0 -28.2 18 20 A Y >< - 0 0 50 -4,-2.8 3,-2.1 1,-0.1 -1,-0.2 -0.854 61.4-172.3-128.4 94.4 33.9 29.7 -25.9 19 21 A P G > S+ 0 0 100 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.799 81.3 72.2 -54.9 -37.0 31.5 32.4 -24.7 20 22 A I G > S+ 0 0 77 1,-0.3 3,-3.0 2,-0.2 -5,-0.1 0.663 76.2 85.0 -53.4 -20.9 29.7 29.9 -22.3 21 23 A A G < S+ 0 0 4 -3,-2.1 -1,-0.3 1,-0.3 -6,-0.1 0.757 90.6 47.1 -49.1 -32.4 32.9 30.2 -20.3 22 24 A N G < S+ 0 0 114 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.020 92.7 131.1 -97.9 25.3 31.4 33.3 -18.7 23 25 A G < - 0 0 19 -3,-3.0 3,-0.3 1,-0.1 -3,-0.0 0.121 68.6-113.8 -67.5-173.9 28.0 31.5 -18.1 24 26 A N S S+ 0 0 99 1,-0.2 228,-0.1 170,-0.0 -1,-0.1 0.418 109.6 50.2-102.4 -7.2 26.0 31.3 -14.9 25 27 A N S S+ 0 0 61 169,-0.1 2,-0.2 2,-0.0 -1,-0.2 -0.250 79.4 147.3-128.3 47.7 26.4 27.6 -14.2 26 28 A Q - 0 0 3 -3,-0.3 221,-0.2 222,-0.3 171,-0.1 -0.578 37.5-101.8 -86.9 148.6 30.2 27.3 -14.5 27 29 A S S S+ 0 0 0 169,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.849 76.8 39.6-119.9 157.1 32.4 24.9 -12.6 28 30 A P + 0 0 0 0, 0.0 219,-3.5 0, 0.0 2,-0.3 0.582 65.3 177.1 -83.9-179.6 34.4 24.5 -10.4 29 31 A V - 0 0 1 217,-0.3 77,-1.2 -2,-0.2 2,-0.5 -0.904 34.8-103.0-140.3 163.9 33.2 26.5 -7.3 30 32 A D E -a 106 0A 36 217,-0.5 2,-0.7 -2,-0.3 77,-0.2 -0.799 31.9-142.7 -92.2 130.7 34.2 27.2 -3.8 31 33 A I E -a 107 0A 0 75,-2.4 77,-2.7 -2,-0.5 2,-0.9 -0.886 9.9-159.2 -95.7 105.5 32.0 25.3 -1.3 32 34 A K > - 0 0 99 -2,-0.7 3,-1.8 75,-0.2 4,-0.3 -0.835 5.1-155.1 -89.9 106.7 31.4 27.5 1.8 33 35 A T G > S+ 0 0 57 -2,-0.9 3,-1.0 1,-0.3 -1,-0.2 0.789 90.0 59.3 -52.9 -33.3 30.3 25.0 4.5 34 36 A S G 3 S+ 0 0 108 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.670 108.1 45.6 -71.8 -17.4 28.4 27.7 6.4 35 37 A E G < S+ 0 0 118 -3,-1.8 219,-0.3 2,-0.1 -1,-0.2 0.272 84.8 112.5-107.9 7.8 26.1 28.4 3.5 36 38 A T < - 0 0 33 -3,-1.0 2,-0.5 -4,-0.3 219,-0.2 -0.499 59.0-135.8 -80.4 155.2 25.2 24.9 2.4 37 39 A K E -c 255 0B 127 217,-1.9 219,-2.4 -2,-0.2 2,-0.3 -0.947 9.4-129.3-117.6 125.1 21.7 23.6 2.8 38 40 A H E -c 256 0B 110 -2,-0.5 2,-0.6 217,-0.2 219,-0.2 -0.507 23.0-160.8 -69.9 128.2 20.7 20.2 4.2 39 41 A D > - 0 0 42 217,-2.4 3,-1.3 -2,-0.3 -1,-0.0 -0.940 10.2-164.4-116.5 110.0 18.2 18.7 1.8 40 42 A T T 3 S+ 0 0 126 -2,-0.6 -1,-0.1 1,-0.2 217,-0.0 0.595 85.1 69.4 -67.3 -13.3 16.2 15.9 3.4 41 43 A S T 3 S+ 0 0 87 -3,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.740 74.6 106.2 -76.0 -21.3 15.2 14.6 -0.0 42 44 A L < - 0 0 22 -3,-1.3 3,-0.1 214,-0.2 38,-0.0 -0.331 55.9-158.4 -63.4 126.7 18.7 13.4 -0.9 43 45 A K - 0 0 135 37,-1.8 37,-0.5 -2,-0.1 39,-0.1 -0.640 33.6 -83.7-100.6 161.3 19.2 9.6 -0.8 44 46 A P - 0 0 110 0, 0.0 36,-0.8 0, 0.0 2,-0.3 -0.278 48.4-111.8 -59.4 144.6 22.5 7.8 -0.3 45 47 A I E -D 79 0B 15 142,-0.4 2,-0.5 34,-0.3 34,-0.2 -0.643 30.7-160.1 -80.6 142.4 24.5 7.4 -3.5 46 48 A S E -D 78 0B 58 32,-3.2 32,-2.5 -2,-0.3 2,-0.4 -0.995 4.3-166.7-127.6 122.9 24.8 3.9 -4.7 47 49 A V E +D 77 0B 34 -2,-0.5 2,-0.3 30,-0.2 30,-0.2 -0.912 8.6 177.0-109.5 138.1 27.6 2.8 -7.2 48 50 A S E +D 76 0B 67 28,-2.4 28,-1.9 -2,-0.4 2,-0.4 -0.768 12.8 170.6-142.3 89.5 27.4 -0.5 -8.9 49 51 A Y - 0 0 15 26,-0.3 26,-0.2 -2,-0.3 129,-0.1 -0.837 27.0-142.0-108.2 140.9 30.3 -1.0 -11.4 50 52 A N > - 0 0 61 -2,-0.4 3,-2.0 1,-0.1 4,-0.2 -0.933 11.0-144.9-100.8 120.5 31.2 -4.2 -13.2 51 53 A P G > S+ 0 0 51 0, 0.0 126,-1.9 0, 0.0 3,-1.8 0.731 95.4 67.9 -59.5 -29.0 35.0 -4.5 -13.5 52 54 A A G 3 S+ 0 0 50 1,-0.3 126,-0.1 124,-0.2 17,-0.0 0.461 85.4 71.5 -73.3 0.6 34.7 -6.1 -17.0 53 55 A T G < S+ 0 0 2 -3,-2.0 16,-2.9 124,-0.2 -1,-0.3 0.610 70.6 108.8 -88.6 -16.2 33.5 -2.8 -18.3 54 56 A A E < +E 68 0B 4 -3,-1.8 122,-0.5 14,-0.2 14,-0.2 -0.416 39.8 160.2 -63.7 132.3 37.0 -1.3 -18.0 55 57 A K E - 0 0 99 12,-2.5 119,-2.3 1,-0.3 2,-0.3 0.727 41.6 -7.5-124.4 -57.0 38.4 -0.9 -21.5 56 58 A E E -EF 67 173B 44 11,-1.1 11,-3.1 117,-0.3 2,-0.4 -0.951 38.2-140.1-149.3 162.0 41.4 1.5 -22.2 57 59 A I E -EF 66 172B 0 115,-2.7 115,-1.9 -2,-0.3 2,-0.4 -0.939 30.9-177.2-116.4 134.4 43.7 4.2 -20.9 58 60 A I E -EF 65 171B 36 7,-1.9 7,-2.4 -2,-0.4 2,-0.6 -0.999 28.4-133.5-144.3 140.6 44.6 7.0 -23.3 59 61 A N E +E 64 0B 1 111,-2.6 110,-2.7 -2,-0.4 5,-0.2 -0.849 22.7 176.8 -92.3 117.5 46.8 10.2 -23.3 60 62 A V - 0 0 43 3,-2.1 2,-1.3 -2,-0.6 4,-0.2 0.089 47.7-112.1-109.0 16.7 44.7 13.1 -24.7 61 63 A G S S+ 0 0 6 2,-0.4 107,-0.1 167,-0.3 3,-0.1 -0.345 110.2 50.5 90.3 -55.8 47.4 15.7 -24.2 62 64 A H S S- 0 0 42 -2,-1.3 2,-0.3 1,-0.1 -1,-0.2 0.519 130.5 -20.9 -92.6 -7.6 46.1 17.8 -21.4 63 65 A S S S- 0 0 4 31,-0.1 -3,-2.1 166,-0.0 -2,-0.4 -0.905 71.3 -95.4-175.7-173.7 45.4 14.8 -19.3 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 -5,-0.2 2,-0.4 -0.979 29.6-151.7-125.5 143.5 44.8 11.0 -19.4 65 67 A H E -E 58 0B 25 -7,-2.4 -7,-1.9 -2,-0.3 2,-0.7 -0.964 10.4-152.9-122.0 139.6 41.4 9.1 -19.5 66 68 A V E -EG 57 91B 0 25,-2.4 25,-1.6 -2,-0.4 2,-0.3 -0.917 30.1-156.3-103.6 104.3 40.4 5.6 -18.3 67 69 A N E -EG 56 90B 34 -11,-3.1 -12,-2.5 -2,-0.7 -11,-1.1 -0.636 9.3-158.7 -96.7 147.5 37.5 4.6 -20.5 68 70 A F E -E 54 0B 7 21,-1.9 2,-0.2 -2,-0.3 -14,-0.2 -0.925 29.9-104.3-122.4 142.2 34.7 2.2 -19.9 69 71 A E - 0 0 75 -16,-2.9 3,-0.2 -2,-0.3 6,-0.2 -0.544 36.3-176.2 -61.1 127.0 32.4 0.3 -22.3 70 72 A D + 0 0 39 -2,-0.2 -1,-0.1 1,-0.1 59,-0.1 -0.308 49.0 106.5-128.1 50.6 29.0 2.1 -22.0 71 73 A N S S+ 0 0 128 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.586 84.6 30.2 -98.5 -19.8 26.7 0.0 -24.2 72 74 A D S S- 0 0 72 -3,-0.2 3,-0.4 3,-0.1 51,-0.0 -0.768 85.2-105.4-130.2 179.4 24.8 -1.5 -21.3 73 75 A N S S+ 0 0 84 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.250 77.1 119.2-105.2 36.2 23.8 -0.7 -17.8 74 76 A R S S+ 0 0 90 1,-0.2 2,-0.5 14,-0.1 -1,-0.2 0.812 78.7 37.0 -69.2 -32.7 26.4 -2.9 -16.3 75 77 A S S S+ 0 0 4 -3,-0.4 13,-1.9 -26,-0.2 2,-0.3 -0.977 81.9 152.1-129.9 113.9 28.1 0.0 -14.4 76 78 A V E -DH 48 87B 8 -28,-1.9 -28,-2.4 -2,-0.5 2,-0.4 -0.959 38.0-139.2-142.9 157.5 25.8 2.7 -13.0 77 79 A L E +DH 47 86B 0 9,-3.0 9,-3.1 -2,-0.3 2,-0.3 -0.957 30.3 167.3-115.3 139.3 25.4 5.3 -10.4 78 80 A K E +D 46 0B 102 -32,-2.5 -32,-3.2 -2,-0.4 2,-0.2 -0.927 37.0 38.5-144.4 168.1 22.0 5.8 -8.7 79 81 A G E > +D 45 0B 15 5,-0.3 3,-1.9 -2,-0.3 -34,-0.3 -0.647 68.9 91.0 89.6-150.0 20.6 7.6 -5.6 80 82 A G T 3 S- 0 0 4 -36,-0.8 -37,-1.8 -37,-0.5 -1,-0.1 -0.389 116.0 -24.6 57.0-136.2 21.7 11.0 -4.5 81 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.429 115.8 108.5 -86.9 1.1 19.5 13.7 -6.2 82 84 A F < - 0 0 27 -3,-1.9 -3,-0.2 1,-0.1 -39,-0.1 -0.455 45.6-177.2 -91.8 151.2 18.6 11.4 -9.1 83 85 A S S S+ 0 0 122 -2,-0.2 2,-0.2 -5,-0.1 -1,-0.1 0.550 80.1 56.7-109.6 -25.1 15.5 9.5 -10.2 84 86 A D S S- 0 0 70 -5,-0.1 2,-0.4 -6,-0.0 -5,-0.3 -0.532 87.7-110.3-107.5 171.9 17.3 7.9 -13.1 85 87 A S - 0 0 26 -2,-0.2 39,-0.7 -7,-0.1 38,-0.6 -0.833 26.3-144.0-101.4 143.1 20.4 5.7 -13.3 86 88 A Y E -HI 77 122B 8 -9,-3.1 -9,-3.0 -2,-0.4 2,-0.4 -0.951 11.9-131.8-116.0 130.9 23.6 7.2 -14.9 87 89 A R E -HI 76 121B 38 34,-2.0 34,-2.6 -2,-0.4 -11,-0.2 -0.714 21.8-124.6 -81.5 122.6 26.0 5.0 -16.9 88 90 A L E + I 0 120B 1 -13,-1.9 32,-0.3 -2,-0.4 -13,-0.2 -0.548 38.9 161.8 -69.4 135.5 29.7 5.2 -16.0 89 91 A F E - 0 0 27 30,-2.3 -21,-1.9 1,-0.4 2,-0.3 0.473 56.0 -9.0-128.8 -26.8 31.9 6.1 -19.0 90 92 A Q E -GI 67 119B 21 29,-1.7 29,-2.5 -23,-0.2 -1,-0.4 -1.000 40.3-150.9-166.7 163.9 35.2 7.4 -17.6 91 93 A F E +GI 66 118B 0 -25,-1.6 -25,-2.4 -2,-0.3 2,-0.3 -0.970 25.2 159.3-137.3 149.0 37.4 8.6 -14.7 92 94 A H E - I 0 117B 17 25,-1.9 25,-2.5 -2,-0.3 2,-0.3 -0.892 26.6-122.9-156.0 175.1 40.3 11.1 -14.9 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.3 -2,-0.3 -29,-0.2 -0.796 5.9-151.2-125.6 166.9 42.3 13.3 -12.5 94 96 A H E + I 0 115B 3 21,-1.7 21,-2.2 -2,-0.3 2,-0.3 -0.969 24.7 161.6-134.3 137.0 43.2 17.0 -12.1 95 97 A W E - I 0 114B 0 -2,-0.3 147,-1.9 19,-0.2 2,-0.2 -0.896 25.1-130.2-149.6 173.8 46.5 18.3 -10.5 96 98 A G - 0 0 1 17,-0.7 6,-0.1 2,-0.5 145,-0.1 -0.723 36.1 -95.3-126.0 175.7 48.6 21.4 -10.3 97 99 A S S S+ 0 0 59 -2,-0.2 2,-0.3 4,-0.1 5,-0.1 0.667 111.0 53.5 -64.9 -18.9 52.3 22.3 -10.7 98 100 A T S S- 0 0 63 3,-0.5 -2,-0.5 15,-0.1 3,-0.3 -0.889 84.4-128.5-115.7 150.3 52.8 22.1 -6.9 99 101 A N S S+ 0 0 33 -2,-0.3 49,-0.3 1,-0.2 3,-0.2 0.654 104.8 53.7 -69.8 -16.7 51.8 19.1 -4.7 100 102 A E S S+ 0 0 103 1,-0.2 2,-0.4 47,-0.1 -1,-0.2 0.777 110.9 37.8 -92.6 -28.2 49.9 21.3 -2.3 101 103 A H S S+ 0 0 108 -3,-0.3 -3,-0.5 12,-0.2 12,-0.3 -0.840 70.8 106.5-131.7 97.5 47.5 23.1 -4.6 102 104 A G + 0 0 0 10,-2.5 13,-0.3 -2,-0.4 11,-0.3 0.368 41.3 112.7-150.8 9.3 46.0 21.3 -7.6 103 105 A S - 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