==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE(OXO-ACID) 28-NOV-93 1CZM . COMPND 2 MOLECULE: CARBONIC ANHYDRASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.CHAKRAVARTY,K.K.KANNAN . 260 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11715.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 56.9 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 21.5 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 . 1 0.4 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 . 15 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.9 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 . 1 4 2 0 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 1 A A 0 0 116 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.6 37.4 21.8 -33.1 2 2 A S - 0 0 119 1,-0.2 2,-0.5 2,-0.0 0, 0.0 0.972 360.0-165.2 53.8 43.4 40.8 23.2 -34.3 3 3 A P + 0 0 77 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.557 33.1 167.7 -76.7 120.5 41.0 23.4 -30.5 4 4 A D + 0 0 118 -2,-0.5 2,-0.4 -3,-0.2 -2,-0.0 -0.676 36.4 120.4-134.9 72.3 43.7 25.6 -29.1 5 5 A W + 0 0 41 -2,-0.2 2,-0.3 196,-0.0 7,-0.2 -0.935 27.1 137.4-129.3 142.8 42.6 25.8 -25.5 6 6 A G - 0 0 11 5,-1.7 10,-0.1 -2,-0.4 238,-0.1 -0.706 66.2 -89.2-163.4-155.4 45.1 24.4 -22.9 7 7 A Y S S+ 0 0 19 -2,-0.3 5,-0.2 5,-0.2 238,-0.1 0.089 81.3 120.4-119.3 14.7 46.2 25.7 -19.5 8 8 A D S > S- 0 0 100 4,-0.1 4,-1.8 1,-0.1 -2,-0.2 -0.155 82.1 -99.3 -76.7 171.3 49.1 28.0 -20.7 9 9 A D T 4 S+ 0 0 166 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.775 123.7 40.6 -62.8 -21.2 49.4 31.7 -20.2 10 10 A K T 4 S+ 0 0 175 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.741 129.7 22.0-100.2 -25.6 48.1 32.2 -23.8 11 11 A N T 4 S+ 0 0 27 -3,-0.0 -5,-1.7 -6,-0.0 -2,-0.2 0.220 100.1 122.6-123.0 9.6 45.3 29.6 -24.2 12 12 A G S >X S- 0 0 3 -4,-1.8 3,-2.5 -7,-0.2 4,-1.0 0.189 81.6 -70.6 -66.7 174.9 44.5 29.1 -20.5 13 13 A P T 34 S+ 0 0 29 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.777 127.9 55.5 -44.1 -35.3 41.4 29.4 -18.3 14 14 A E T 34 S+ 0 0 157 1,-0.2 -2,-0.0 2,-0.1 -5,-0.0 0.504 111.2 44.7 -82.5 1.0 41.4 33.3 -18.6 15 15 A Q T X4 S+ 0 0 39 -3,-2.5 3,-1.6 2,-0.1 4,-0.4 0.516 84.2 93.0-114.2 -17.5 41.3 33.2 -22.4 16 16 A W G >X S+ 0 0 2 -4,-1.0 4,-3.8 -3,-0.3 3,-1.6 0.779 76.6 64.3 -50.2 -40.0 38.6 30.5 -23.0 17 17 A S G 34 S+ 0 0 40 -4,-0.3 -1,-0.3 1,-0.3 7,-0.1 0.774 87.6 70.3 -58.8 -28.5 35.8 33.0 -23.2 18 18 A K G <4 S+ 0 0 149 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.869 122.4 14.8 -55.5 -33.8 37.4 34.4 -26.4 19 19 A L T <4 S+ 0 0 121 -3,-1.6 -2,-0.2 -4,-0.4 -1,-0.2 0.587 135.8 42.3-113.2 -24.8 36.3 31.1 -28.0 20 20 A Y >< - 0 0 55 -4,-3.8 3,-2.8 -5,-0.2 -1,-0.2 -0.710 61.7-179.4-127.5 81.2 33.8 29.7 -25.5 21 21 A P G > S+ 0 0 98 0, 0.0 3,-1.8 0, 0.0 -4,-0.1 0.642 77.8 72.9 -52.5 -21.9 31.6 32.5 -24.4 22 22 A I G > S+ 0 0 73 1,-0.3 3,-3.3 2,-0.2 -5,-0.1 0.716 73.0 86.9 -68.8 -16.8 29.7 30.1 -22.1 23 23 A A G < S+ 0 0 5 -3,-2.8 -1,-0.3 1,-0.3 -6,-0.1 0.757 90.7 46.9 -52.3 -25.2 32.9 30.2 -20.0 24 24 A N G < S+ 0 0 110 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.139 91.3 129.9-103.7 19.4 31.2 33.3 -18.4 25 25 A G S < S- 0 0 13 -3,-3.3 3,-0.4 1,-0.1 -3,-0.0 0.112 70.6-110.4 -62.8 177.8 27.8 31.5 -17.9 26 26 A N S S+ 0 0 94 1,-0.2 228,-0.1 170,-0.0 -1,-0.1 0.405 110.8 49.3 -91.4 -6.2 25.8 31.4 -14.8 27 27 A N S S+ 0 0 55 2,-0.1 2,-0.2 169,-0.0 -1,-0.2 -0.177 77.6 148.3-134.2 44.7 26.4 27.6 -14.1 28 28 A Q - 0 0 1 -3,-0.4 221,-0.2 222,-0.3 171,-0.1 -0.537 36.9-104.4 -84.8 143.1 30.1 27.3 -14.4 29 29 A S S S+ 0 0 0 169,-0.5 2,-0.1 -2,-0.2 -2,-0.1 -0.818 77.3 41.0-118.1 155.8 32.3 24.8 -12.5 30 30 A P + 0 0 0 0, 0.0 219,-3.3 0, 0.0 2,-0.3 0.604 66.8 176.9 -80.6-178.9 34.2 24.4 -10.3 31 31 A V - 0 0 0 217,-0.3 77,-1.4 -2,-0.1 2,-0.5 -0.876 34.2 -99.2-140.9 167.1 33.1 26.5 -7.4 32 32 A D E -a 108 0A 24 217,-0.4 2,-0.7 -2,-0.3 77,-0.2 -0.873 33.3-138.0 -96.6 133.4 34.1 27.1 -3.8 33 33 A I E -a 109 0A 0 75,-2.1 77,-3.2 -2,-0.5 2,-0.8 -0.821 13.4-165.0 -96.4 101.4 32.0 25.2 -1.2 34 34 A K > - 0 0 83 -2,-0.7 3,-1.2 75,-0.2 4,-0.4 -0.793 3.6-164.2 -90.9 102.8 31.1 27.3 1.8 35 35 A T T 3 S+ 0 0 62 -2,-0.8 -1,-0.1 1,-0.3 223,-0.0 0.534 88.5 61.9 -66.9 -12.5 30.0 24.9 4.5 36 36 A S T 3 S+ 0 0 110 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.716 111.3 40.1 -85.7 -23.2 28.4 27.7 6.4 37 37 A E S < S+ 0 0 142 -3,-1.2 219,-0.3 2,-0.1 -2,-0.2 0.313 86.5 112.6-107.8 5.7 26.1 28.3 3.4 38 38 A T - 0 0 37 -4,-0.4 2,-0.5 217,-0.1 219,-0.2 -0.333 60.0-132.8 -74.1 163.7 25.2 24.8 2.2 39 39 A K E -c 257 0B 101 217,-2.7 219,-2.2 2,-0.0 2,-0.6 -0.980 9.2-128.3-126.8 129.1 21.6 23.6 2.6 40 40 A H E -c 258 0B 114 -2,-0.5 2,-0.6 217,-0.2 219,-0.2 -0.630 23.1-167.3 -74.0 117.2 20.5 20.3 4.1 41 41 A D > - 0 0 34 217,-2.0 3,-0.7 -2,-0.6 -2,-0.0 -0.952 8.2-164.4-106.8 117.7 18.1 18.6 1.7 42 42 A T T 3 S+ 0 0 126 -2,-0.6 -1,-0.1 1,-0.2 217,-0.1 0.427 82.3 68.1 -82.7 1.2 16.4 15.6 3.4 43 43 A S T 3 S+ 0 0 83 2,-0.1 -1,-0.2 40,-0.0 2,-0.1 0.614 71.5 113.7 -90.5 -14.4 15.2 14.1 0.1 44 44 A L < - 0 0 25 -3,-0.7 3,-0.0 214,-0.2 38,-0.0 -0.349 56.8-152.2 -59.2 125.7 18.7 13.2 -0.9 45 45 A K - 0 0 133 37,-2.0 2,-0.3 -2,-0.1 39,-0.1 -0.451 30.6 -83.2 -94.1 169.1 19.1 9.4 -1.0 46 46 A P - 0 0 85 0, 0.0 36,-0.3 0, 0.0 2,-0.1 -0.618 48.8-115.0 -75.9 133.8 22.3 7.6 -0.5 47 47 A I - 0 0 32 142,-0.4 2,-0.4 -2,-0.3 34,-0.2 -0.396 31.9-163.6 -68.1 141.3 24.4 7.4 -3.6 48 48 A S E -D 80 0B 50 32,-2.9 32,-3.3 -2,-0.1 2,-0.4 -0.976 5.1-169.7-133.9 123.5 24.8 3.8 -4.9 49 49 A V E -D 79 0B 47 -2,-0.4 2,-0.3 30,-0.2 30,-0.3 -0.896 5.6-178.6-112.1 139.8 27.4 2.8 -7.5 50 50 A S E +D 78 0B 70 28,-3.3 28,-2.4 -2,-0.4 2,-0.4 -0.782 12.3 174.8-147.3 93.2 27.5 -0.6 -9.2 51 51 A Y - 0 0 18 26,-0.3 26,-0.2 -2,-0.3 129,-0.1 -0.848 25.5-143.5-103.2 137.7 30.4 -1.0 -11.6 52 52 A N > - 0 0 53 -2,-0.4 3,-2.0 1,-0.1 127,-0.2 -0.893 8.2-151.8-101.4 120.4 31.4 -4.1 -13.5 53 53 A P G > S+ 0 0 51 0, 0.0 3,-1.8 0, 0.0 126,-1.7 0.779 93.8 70.0 -61.1 -26.9 35.2 -4.3 -13.7 54 54 A A G 3 S+ 0 0 50 1,-0.3 126,-0.1 124,-0.2 -3,-0.0 0.564 88.7 65.1 -68.9 -8.8 34.8 -6.2 -17.0 55 55 A T G < S+ 0 0 2 -3,-2.0 16,-2.6 124,-0.1 -1,-0.3 0.513 73.3 105.8 -91.9 -6.0 33.6 -2.9 -18.5 56 56 A A E < +E 70 0B 3 -3,-1.8 122,-0.4 14,-0.2 14,-0.2 -0.534 41.2 161.1 -69.1 142.3 37.0 -1.2 -18.1 57 57 A K E - 0 0 75 12,-2.8 119,-2.3 1,-0.4 2,-0.3 0.706 41.6 -1.6-134.2 -46.1 38.6 -1.0 -21.6 58 58 A E E -EF 69 175B 30 11,-1.4 11,-3.0 117,-0.3 2,-0.4 -0.968 38.7-144.3-150.5 164.0 41.4 1.6 -22.3 59 59 A I E -EF 68 174B 1 115,-2.2 115,-1.8 -2,-0.3 2,-0.3 -0.962 28.9-178.1-121.1 133.1 43.6 4.4 -21.0 60 60 A I E -EF 67 173B 40 7,-2.5 7,-2.4 -2,-0.4 2,-0.6 -0.997 30.3-126.2-143.5 146.9 44.6 7.2 -23.3 61 61 A N E -E 66 0B 1 111,-2.3 110,-2.3 -2,-0.3 5,-0.2 -0.800 22.3-176.5 -91.1 117.0 46.7 10.4 -23.3 62 62 A V - 0 0 43 3,-2.8 2,-0.9 -2,-0.6 4,-0.2 0.338 44.3-113.6 -98.9 8.2 44.5 13.2 -24.5 63 63 A G S S+ 0 0 7 2,-0.7 107,-0.1 167,-0.2 3,-0.1 -0.386 112.9 48.2 95.8 -59.3 47.3 15.8 -24.4 64 64 A H S S- 0 0 47 -2,-0.9 2,-0.3 1,-0.1 -1,-0.2 0.560 132.4 -24.0 -91.3 -9.0 45.9 18.0 -21.6 65 65 A S - 0 0 3 165,-0.1 -3,-2.8 166,-0.1 -2,-0.7 -0.907 69.5 -93.2-176.6-170.5 45.3 14.9 -19.4 66 66 A F E -E 61 0B 0 -2,-0.3 29,-0.5 -5,-0.2 2,-0.4 -0.987 29.8-157.7-132.1 142.9 44.8 11.1 -19.5 67 67 A H E -E 60 0B 28 -7,-2.4 -7,-2.5 -2,-0.4 2,-0.6 -0.964 14.1-147.7-124.5 144.5 41.4 9.2 -19.4 68 68 A V E -EG 59 93B 0 25,-2.4 25,-1.6 -2,-0.4 2,-0.3 -0.970 30.7-153.4-108.3 110.7 40.4 5.7 -18.4 69 69 A N E -EG 58 92B 34 -11,-3.0 -12,-2.8 -2,-0.6 -11,-1.4 -0.654 7.7-157.1 -97.8 141.1 37.5 4.7 -20.7 70 70 A F E -E 56 0B 6 21,-2.1 2,-0.5 -2,-0.3 -14,-0.2 -0.834 28.9-103.3-115.0 153.2 34.7 2.3 -20.0 71 71 A E - 0 0 76 -16,-2.6 3,-0.2 -2,-0.3 6,-0.2 -0.667 36.3-176.6 -76.3 118.8 32.4 0.3 -22.3 72 72 A D + 0 0 52 -2,-0.5 59,-0.1 1,-0.1 -1,-0.1 -0.400 50.2 104.2-115.4 52.7 29.0 2.2 -22.2 73 73 A N S S+ 0 0 102 -2,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.649 85.2 35.1-104.6 -16.9 26.8 0.0 -24.4 74 74 A D S S- 0 0 67 -3,-0.2 3,-0.3 3,-0.0 51,-0.0 -0.674 81.9-114.0-124.4 176.7 25.0 -1.4 -21.4 75 75 A N S S+ 0 0 84 -2,-0.2 3,-0.1 1,-0.2 -3,-0.1 -0.091 77.6 119.7-101.9 24.3 23.8 -0.5 -18.0 76 76 A R S S+ 0 0 89 1,-0.2 2,-0.4 -5,-0.1 -1,-0.2 0.766 77.5 37.4 -63.7 -28.1 26.3 -2.9 -16.5 77 77 A S S S+ 0 0 6 -3,-0.3 13,-2.0 -26,-0.2 2,-0.3 -0.963 84.4 149.0-130.2 112.1 28.1 -0.1 -14.6 78 78 A V E -DH 50 89B 11 -28,-2.4 -28,-3.3 -2,-0.4 2,-0.4 -0.911 38.0-139.5-145.1 164.6 25.8 2.6 -13.1 79 79 A L E +DH 49 88B 0 9,-1.8 9,-2.2 -2,-0.3 2,-0.3 -0.976 27.9 168.3-123.4 133.4 25.2 5.1 -10.4 80 80 A K E +D 48 0B 73 -32,-3.3 -32,-2.9 -2,-0.4 2,-0.2 -0.859 37.5 32.2-141.9 174.6 21.9 5.8 -8.8 81 81 A G > + 0 0 14 3,-0.4 3,-2.6 5,-0.3 -34,-0.3 -0.499 66.8 97.0 79.9-145.2 20.3 7.5 -5.8 82 82 A G T 3 S- 0 0 2 1,-0.3 -37,-2.0 -36,-0.3 -1,-0.1 -0.397 117.9 -25.1 56.2-133.7 21.8 10.8 -4.4 83 83 A P T 3 S+ 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.241 115.6 107.6 -92.2 11.3 19.5 13.4 -6.1 84 84 A F < - 0 0 23 -3,-2.6 -3,-0.4 1,-0.1 -39,-0.1 -0.738 47.6-169.9-103.2 148.1 18.6 11.3 -9.1 85 85 A S S S+ 0 0 129 -2,-0.3 2,-0.2 -5,-0.1 -1,-0.1 0.608 80.0 45.5 -98.3 -20.3 15.4 9.6 -10.2 86 86 A D S S- 0 0 35 -5,-0.1 2,-0.4 -7,-0.0 -5,-0.3 -0.508 89.0 -96.5-116.3-176.0 17.1 7.7 -13.1 87 87 A S - 0 0 34 -2,-0.2 39,-0.9 -7,-0.1 38,-0.7 -0.838 27.0-149.5-107.3 142.2 20.3 5.7 -13.6 88 88 A Y E -HI 79 124B 5 -9,-2.2 -9,-1.8 -2,-0.4 2,-0.5 -0.930 14.0-132.7-109.4 132.6 23.6 7.1 -15.1 89 89 A R E -HI 78 123B 33 34,-3.0 34,-2.3 -2,-0.4 -11,-0.2 -0.745 20.6-122.9 -89.7 125.3 26.0 5.0 -17.1 90 90 A L E + I 0 122B 2 -13,-2.0 32,-0.2 -2,-0.5 -13,-0.1 -0.369 39.6 159.0 -61.9 135.3 29.7 5.1 -16.3 91 91 A F E - 0 0 28 30,-1.9 -21,-2.1 1,-0.4 2,-0.3 0.494 57.1 -7.6-135.8 -21.0 32.0 6.1 -19.2 92 92 A Q E -GI 69 121B 20 29,-1.6 29,-1.8 -23,-0.2 -1,-0.4 -0.990 39.0-152.0-171.9 161.8 35.2 7.4 -17.6 93 93 A F E +GI 68 120B 0 -25,-1.6 -25,-2.4 -2,-0.3 2,-0.3 -0.936 27.2 157.0-136.3 153.0 37.4 8.5 -14.7 94 94 A H E - I 0 119B 17 25,-1.9 25,-3.0 -2,-0.3 2,-0.3 -0.932 27.0-119.6-163.8 173.8 40.3 11.1 -14.9 95 95 A F E - I 0 118B 0 -29,-0.5 2,-0.3 -2,-0.3 -29,-0.2 -0.849 4.9-151.8-128.0 159.0 42.3 13.4 -12.6 96 96 A H E + I 0 117B 2 21,-2.1 21,-2.0 -2,-0.3 2,-0.3 -0.968 25.7 162.9-126.3 142.9 43.2 17.1 -12.2 97 97 A W E - I 0 116B 0 -2,-0.3 147,-2.0 19,-0.2 2,-0.2 -0.913 24.7-128.4-150.6 173.9 46.4 18.4 -10.6 98 98 A G - 0 0 1 17,-0.6 6,-0.2 2,-0.5 129,-0.1 -0.636 33.1-102.7-121.3 178.4 48.6 21.4 -10.2 99 99 A S S S+ 0 0 61 4,-0.3 2,-0.3 -2,-0.2 5,-0.1 0.706 110.4 52.4 -75.6 -18.4 52.3 22.3 -10.7 100 100 A T S S- 0 0 62 3,-0.6 -2,-0.5 15,-0.1 0, 0.0 -0.829 86.6-128.5-111.6 154.7 52.8 22.2 -7.0 101 101 A N S S+ 0 0 33 -2,-0.3 49,-0.2 1,-0.2 3,-0.2 0.575 104.1 52.5 -79.7 -12.7 51.7 19.2 -4.8 102 102 A E S S+ 0 0 103 1,-0.2 2,-0.6 47,-0.1 3,-0.2 0.752 110.4 40.5 -95.7 -27.5 49.8 21.4 -2.4 103 103 A H S S+ 0 0 114 12,-0.2 -3,-0.6 1,-0.1 -4,-0.3 -0.816 74.3 104.7-127.0 97.3 47.5 23.4 -4.7 104 104 A G + 0 0 0 10,-2.6 11,-0.3 -2,-0.6 13,-0.2 0.453 42.1 111.0-150.2 6.0 46.0 21.4 -7.6 105 105 A S - 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