==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-NOV-09 3KOI . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.S.AVVARU . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 62.5 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 21.9 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 . 21 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 7.0 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 3 0 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 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 5 A W 0 0 100 0, 0.0 2,-0.2 0, 0.0 7,-0.2 0.000 360.0 360.0 360.0 159.2 7.4 -1.6 11.4 2 6 A G - 0 0 11 5,-2.7 10,-0.1 2,-0.1 58,-0.1 -0.747 360.0 -96.3-161.7-155.5 5.4 -4.7 10.4 3 7 A Y S S+ 0 0 29 -2,-0.2 5,-0.3 5,-0.2 237,-0.1 0.443 82.2 107.3-120.4 -4.7 4.2 -8.1 11.8 4 8 A G S > S- 0 0 45 3,-0.2 4,-1.0 4,-0.1 -2,-0.1 0.252 86.6 -91.3 -63.8-170.9 7.0 -10.2 10.3 5 9 A K T 4 S+ 0 0 160 1,-0.2 -1,-0.1 2,-0.2 -3,-0.0 0.826 123.5 39.1 -75.6 -33.3 9.9 -11.9 12.1 6 10 A H T 4 S+ 0 0 146 1,-0.1 -1,-0.2 -5,-0.0 -2,-0.0 0.574 132.3 23.1 -97.9 -1.9 12.3 -9.0 11.7 7 11 A N T 4 S+ 0 0 70 -6,-0.1 -5,-2.7 5,-0.0 -2,-0.2 0.278 91.4 124.3-148.4 21.5 9.9 -6.2 12.3 8 12 A G S >X S- 0 0 4 -4,-1.0 3,-2.5 -5,-0.3 4,-0.7 0.071 79.0 -66.6 -73.3-178.4 7.0 -7.6 14.3 9 13 A P G >4 S+ 0 0 25 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.754 127.4 59.2 -45.3 -34.6 5.5 -6.5 17.6 10 14 A E G 34 S+ 0 0 151 1,-0.2 -2,-0.1 2,-0.1 4,-0.0 0.462 106.3 50.9 -87.2 12.2 8.4 -7.4 19.8 11 15 A H G X> S+ 0 0 66 -3,-2.5 3,-1.9 2,-0.1 4,-0.6 0.544 84.8 86.6-108.4 -21.0 10.6 -5.0 17.8 12 16 A W H XX S+ 0 0 5 -4,-0.7 4,-2.1 -3,-0.5 3,-0.5 0.770 74.6 70.3 -56.9 -27.8 8.3 -1.9 18.0 13 17 A H H 34 S+ 0 0 68 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.763 87.7 65.5 -67.3 -19.5 9.8 -0.7 21.3 14 18 A K H <4 S+ 0 0 136 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.908 118.2 23.3 -69.4 -41.6 13.1 0.2 19.6 15 19 A D H << S+ 0 0 133 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.693 135.6 41.5 -90.2 -20.2 11.5 3.0 17.5 16 20 A F >< - 0 0 61 -4,-2.1 3,-1.9 -5,-0.2 -1,-0.2 -0.780 60.9-179.8-137.0 85.7 8.6 3.3 19.9 17 21 A P G > S+ 0 0 105 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.738 75.6 74.6 -60.5 -26.9 9.4 3.2 23.6 18 22 A I G > S+ 0 0 65 1,-0.3 3,-2.4 179,-0.2 -5,-0.1 0.638 71.5 90.3 -66.5 -11.1 5.8 3.7 24.7 19 23 A A G < S+ 0 0 6 -3,-1.9 -1,-0.3 1,-0.3 -6,-0.1 0.831 89.1 45.9 -51.5 -30.0 5.3 0.0 23.7 20 24 A K G < S+ 0 0 137 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.155 94.6 137.4-102.9 24.4 6.3 -1.0 27.2 21 25 A G < - 0 0 11 -3,-2.4 3,-0.5 1,-0.1 -3,-0.0 0.134 67.8-107.5 -61.0 177.7 4.0 1.7 28.7 22 26 A E S S+ 0 0 124 1,-0.2 226,-0.4 225,-0.1 -1,-0.1 0.602 112.4 37.2 -86.1 -19.8 1.7 1.6 31.6 23 27 A R S S+ 0 0 49 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.399 81.4 154.3-133.8 58.8 -1.6 1.6 29.6 24 28 A Q - 0 0 3 -3,-0.5 220,-0.1 221,-0.4 170,-0.1 -0.528 33.0 -99.1 -89.0 152.9 -0.8 -0.5 26.5 25 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.845 77.7 36.5-124.2 161.0 -3.4 -2.5 24.5 26 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.720 65.0 173.6 -77.1-176.2 -4.6 -5.0 23.8 27 31 A V - 0 0 1 216,-0.3 77,-1.4 -2,-0.2 2,-0.4 -0.901 36.2 -98.1-138.6 165.7 -5.0 -7.0 27.1 28 32 A D E -a 104 0A 37 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.734 33.2-137.6 -85.0 138.4 -6.6 -10.3 28.2 29 33 A I E -a 105 0A 1 75,-3.0 77,-1.6 -2,-0.4 2,-0.8 -0.823 11.3-159.8-101.6 105.9 -10.0 -9.9 29.8 30 34 A D >> - 0 0 69 -2,-0.9 3,-1.6 75,-0.2 4,-1.2 -0.715 5.2-159.6 -86.0 111.7 -10.4 -12.1 32.8 31 35 A T T 34 S+ 0 0 43 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.812 86.2 51.9 -68.9 -27.2 -14.1 -12.4 33.3 32 36 A H T 34 S+ 0 0 164 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.562 112.2 50.0 -85.0 -0.8 -14.2 -13.4 37.0 33 37 A T T <4 S+ 0 0 85 -3,-1.6 2,-0.4 2,-0.1 -2,-0.2 0.571 84.8 97.0-108.3 -23.0 -12.0 -10.4 37.7 34 38 A A S < S- 0 0 18 -4,-1.2 2,-0.4 -3,-0.1 218,-0.2 -0.584 72.0-137.3 -72.3 129.1 -13.9 -7.7 35.9 35 39 A K E -c 252 0B 137 216,-1.4 218,-2.4 -2,-0.4 2,-0.3 -0.743 14.7-116.1 -93.4 133.6 -16.1 -5.9 38.5 36 40 A Y E -c 253 0B 73 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.496 30.2-162.1 -66.2 129.6 -19.7 -5.1 37.6 37 41 A D - 0 0 23 216,-2.9 3,-0.4 -2,-0.3 -1,-0.0 -0.965 15.0-178.1-115.9 117.6 -20.1 -1.3 37.6 38 42 A P S S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.652 78.0 69.9 -94.2 -18.0 -23.7 0.1 37.9 39 43 A S S S+ 0 0 88 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.521 76.8 106.1 -75.9 -4.3 -22.7 3.8 37.7 40 44 A L S S- 0 0 29 -3,-0.4 3,-0.1 213,-0.2 38,-0.0 -0.668 70.2-137.3 -73.8 132.4 -21.9 3.0 34.0 41 45 A K - 0 0 132 37,-1.2 39,-0.1 -2,-0.4 3,-0.1 -0.472 32.6 -86.2 -84.3 160.2 -24.5 4.5 31.7 42 46 A P - 0 0 112 0, 0.0 36,-1.3 0, 0.0 -1,-0.1 -0.350 50.4 -99.2 -70.1 151.5 -25.8 2.4 28.8 43 47 A L E -D 77 0B 18 34,-0.2 2,-0.5 141,-0.2 34,-0.2 -0.369 32.2-156.9 -65.0 144.8 -23.8 2.7 25.5 44 48 A S E -D 76 0B 49 32,-1.9 32,-2.2 -3,-0.1 2,-0.7 -0.923 10.7-177.7-129.2 108.6 -25.2 5.1 22.9 45 49 A V E -D 75 0B 31 -2,-0.5 2,-1.1 30,-0.2 30,-0.2 -0.836 3.4-172.4-111.7 94.2 -24.1 4.3 19.3 46 50 A S E +D 74 0B 40 28,-2.5 28,-2.0 -2,-0.7 3,-0.2 -0.690 27.8 141.7 -95.1 87.4 -25.6 6.9 16.9 47 51 A Y > + 0 0 1 -2,-1.1 3,-1.3 26,-0.2 130,-0.2 0.320 34.1 101.8-111.0 3.1 -24.7 5.7 13.4 48 52 A D T 3 S+ 0 0 102 1,-0.2 -1,-0.1 24,-0.1 25,-0.1 0.784 88.1 43.9 -70.3 -17.1 -27.8 6.5 11.4 49 53 A Q T 3 S+ 0 0 128 23,-0.3 24,-0.3 -3,-0.2 -1,-0.2 0.389 83.2 142.2-106.6 11.7 -26.2 9.6 9.7 50 54 A A < - 0 0 25 -3,-1.3 2,-0.4 22,-0.3 123,-0.1 -0.132 36.0-158.5 -43.5 134.5 -22.8 7.9 9.1 51 55 A T - 0 0 53 16,-0.3 16,-2.6 121,-0.1 2,-0.2 -0.854 5.7-168.0-121.3 95.0 -21.1 8.8 5.8 52 56 A S E +E 66 0B 0 -2,-0.4 121,-0.7 122,-0.4 14,-0.3 -0.561 13.2 167.5 -76.3 146.2 -18.5 6.3 4.6 53 57 A L E + 0 0 75 12,-2.9 118,-1.3 1,-0.4 2,-0.3 0.658 50.3 8.9-134.5 -24.8 -16.3 7.5 1.7 54 58 A R E -EF 65 170B 83 11,-1.2 11,-2.3 117,-0.3 2,-0.4 -0.995 44.5-147.3-153.1 158.3 -13.2 5.3 1.0 55 59 A I E -EF 64 169B 0 114,-2.2 114,-2.0 -2,-0.3 2,-0.4 -0.990 25.3-171.7-121.3 140.0 -11.5 2.0 1.8 56 60 A L E -EF 63 168B 33 7,-2.2 7,-2.4 -2,-0.4 2,-0.7 -0.985 26.6-143.1-138.3 138.2 -7.7 1.8 1.8 57 61 A N E +E 62 0B 0 110,-2.4 109,-2.2 -2,-0.4 5,-0.2 -0.879 24.1 177.6 -88.9 114.5 -5.0 -0.8 2.0 58 62 A N - 0 0 46 3,-2.3 -1,-0.1 -2,-0.7 4,-0.1 0.352 54.8 -96.1-105.8 2.3 -2.3 0.9 4.0 59 63 A G S S+ 0 0 8 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.228 119.1 50.9 102.3 -9.7 0.2 -2.0 4.3 60 64 A H S S- 0 0 50 1,-0.6 2,-0.2 -58,-0.1 -3,-0.1 0.665 124.0 -30.5-118.5 -47.4 -1.0 -3.3 7.6 61 65 A A - 0 0 7 -5,-0.1 -3,-2.3 31,-0.1 -1,-0.6 -0.756 69.3 -87.2-153.2-170.8 -4.8 -3.6 7.2 62 66 A F E -E 57 0B 0 -2,-0.2 29,-0.5 -5,-0.2 2,-0.5 -0.964 35.4-154.8-116.3 134.2 -7.6 -2.0 5.3 63 67 A N E -E 56 0B 26 -7,-2.4 -7,-2.2 -2,-0.4 2,-0.7 -0.915 8.8-150.3-109.1 132.1 -9.4 1.1 6.7 64 68 A V E -EG 55 89B 0 25,-3.0 25,-1.6 -2,-0.5 -9,-0.2 -0.927 27.7-153.0 -98.4 112.8 -12.9 2.1 5.9 65 69 A E E -EG 54 88B 46 -11,-2.3 -12,-2.9 -2,-0.7 -11,-1.2 -0.567 9.6-160.5 -91.2 144.7 -12.9 5.9 6.3 66 70 A F E -E 52 0B 10 21,-2.5 2,-1.0 -14,-0.3 -14,-0.2 -0.811 31.8 -98.3-122.8 158.8 -15.8 8.2 7.2 67 71 A D + 0 0 38 -16,-2.6 3,-0.3 -2,-0.3 6,-0.3 -0.691 43.1 171.0 -73.3 102.9 -16.7 11.9 6.8 68 72 A D + 0 0 46 -2,-1.0 -1,-0.1 1,-0.2 17,-0.1 0.051 46.4 103.7-103.1 25.9 -15.8 13.2 10.3 69 73 A S S S+ 0 0 82 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.454 87.4 30.7 -88.0 7.9 -16.2 16.9 9.6 70 74 A Q S S- 0 0 116 -3,-0.3 2,-1.1 3,-0.1 3,-0.2 -0.921 97.4 -90.5-153.3 170.2 -19.6 16.9 11.4 71 75 A D S S+ 0 0 82 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.095 77.5 125.7 -88.0 45.3 -21.3 15.2 14.3 72 76 A K S S+ 0 0 51 -2,-1.1 2,-0.8 -5,-0.3 -23,-0.3 0.982 70.7 24.3 -63.9 -87.2 -22.8 12.4 12.1 73 77 A A S S+ 0 0 8 -6,-0.3 13,-2.4 -24,-0.3 2,-0.4 -0.721 84.2 169.4 -85.8 111.4 -21.9 9.1 13.5 74 78 A V E -DH 46 85B 13 -28,-2.0 -28,-2.5 -2,-0.8 2,-0.4 -0.952 30.1-149.6-133.4 144.4 -21.1 9.5 17.2 75 79 A L E +DH 45 84B 0 9,-2.9 9,-2.1 -2,-0.4 2,-0.3 -0.867 30.2 154.3 -99.6 135.7 -20.5 7.4 20.3 76 80 A K E +D 44 0B 89 -32,-2.2 -32,-1.9 -2,-0.4 2,-0.1 -0.933 36.1 32.6-147.1 175.9 -21.5 8.7 23.8 77 81 A G E > S+D 43 0B 21 5,-0.5 3,-3.0 3,-0.4 -34,-0.2 -0.486 71.3 90.3 78.0-147.4 -22.5 7.4 27.2 78 82 A G T 3 S- 0 0 2 -36,-1.3 -37,-1.2 1,-0.3 -1,-0.1 -0.340 121.9 -27.5 47.8-129.7 -21.0 4.2 28.7 79 83 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.340 118.1 113.6 -87.1 4.1 -17.9 5.3 30.5 80 84 A L < - 0 0 12 -3,-3.0 2,-0.4 -39,-0.1 -3,-0.4 -0.505 52.8-155.7 -89.0 142.0 -17.5 8.3 28.2 81 85 A D - 0 0 128 -2,-0.2 -1,-0.0 -5,-0.1 0, 0.0 -0.875 65.2 -6.7-103.4 145.2 -17.8 12.0 28.8 82 86 A G S S- 0 0 52 -2,-0.4 -5,-0.5 38,-0.1 2,-0.4 -0.237 101.4 -43.9 69.5-164.4 -18.8 14.3 25.9 83 87 A T - 0 0 23 -7,-0.1 38,-3.0 -9,-0.0 2,-0.4 -0.925 41.6-158.5-122.0 135.4 -19.1 13.2 22.3 84 88 A Y E -HI 75 120B 3 -9,-2.1 -9,-2.9 -2,-0.4 2,-0.4 -0.948 11.0-146.6-117.5 120.8 -16.9 10.9 20.1 85 89 A R E -HI 74 119B 46 34,-2.2 34,-2.4 -2,-0.4 2,-0.3 -0.740 18.5-122.2 -90.3 131.3 -16.9 11.0 16.2 86 90 A L E + I 0 118B 4 -13,-2.4 32,-0.2 -2,-0.4 -13,-0.2 -0.493 35.4 166.4 -69.6 130.0 -16.4 7.9 14.1 87 91 A I E - 0 0 32 30,-2.5 -21,-2.5 1,-0.4 2,-0.3 0.700 58.4 -26.8-116.2 -34.2 -13.4 8.3 11.7 88 92 A Q E -GI 65 117B 28 29,-1.1 29,-2.1 -23,-0.2 -1,-0.4 -0.985 47.1-144.3-167.9 165.8 -12.7 4.8 10.5 89 93 A F E +GI 64 116B 0 -25,-1.6 -25,-3.0 -2,-0.3 2,-0.3 -0.978 21.0 163.7-136.5 158.0 -12.9 1.1 11.2 90 94 A H E - I 0 115B 24 25,-2.1 25,-2.7 -2,-0.3 2,-0.3 -0.903 23.5-121.1-153.9-179.6 -10.6 -1.8 10.4 91 95 A F E - I 0 114B 0 -29,-0.5 2,-0.4 -2,-0.3 23,-0.2 -0.886 2.2-152.0-129.7 161.1 -9.9 -5.4 11.3 92 96 A H E + I 0 113B 4 21,-1.7 21,-2.0 -2,-0.3 2,-0.3 -0.997 31.1 163.1-125.5 134.7 -7.2 -7.6 12.7 93 97 A W E - I 0 112B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.9 -0.925 25.8-115.7-147.4 171.4 -7.3 -11.3 11.7 94 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.6 3,-0.1 -0.498 24.5-117.4-108.6 178.6 -5.2 -14.4 11.6 95 99 A S S S+ 0 0 45 -2,-0.2 2,-0.3 142,-0.1 -1,-0.1 0.651 105.4 30.6 -81.4 -9.8 -3.7 -16.9 9.2 96 100 A L S > S- 0 0 116 3,-0.2 3,-1.7 15,-0.1 -2,-0.2 -0.950 88.4-109.6-143.7 159.1 -5.9 -19.6 10.8 97 101 A D T 3 S+ 0 0 76 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.762 109.6 67.1 -65.1 -23.0 -9.3 -19.6 12.5 98 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.432 108.3 27.8 -81.5 -1.7 -7.8 -20.2 16.0 99 103 A Q < + 0 0 63 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.2 -0.951 65.7 98.4-147.3 171.1 -6.1 -16.8 16.2 100 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.063 54.9 105.1 140.1 -32.6 -6.4 -13.3 14.9 101 105 A S - 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