==== 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 3KON . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.S.AVVARU . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 63.6 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 . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.4 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 2 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 0 198 0, 0.0 16,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-169.6 13.5 -0.5 10.2 2 4 A H - 0 0 115 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.412 360.0-113.1 -57.4 134.0 10.1 0.4 8.9 3 5 A W + 0 0 35 1,-0.1 2,-0.2 -2,-0.1 7,-0.2 -0.337 55.2 130.1 -77.2 155.2 7.7 -1.3 11.3 4 6 A G - 0 0 8 5,-2.5 10,-0.1 2,-0.1 58,-0.1 -0.789 64.9 -82.4-169.7-148.8 5.4 -4.2 10.4 5 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 238,-0.1 0.165 81.6 111.6-128.4 19.4 4.4 -7.6 11.6 6 8 A G S > S- 0 0 36 4,-0.1 4,-1.2 1,-0.1 3,-0.4 -0.236 84.2 -89.2 -84.8 179.8 7.2 -9.8 10.2 7 9 A K T 4 S+ 0 0 166 1,-0.2 3,-0.1 2,-0.2 5,-0.1 0.870 124.1 33.6 -52.1 -44.6 10.1 -11.6 11.9 8 10 A H T 4 S+ 0 0 161 1,-0.2 -1,-0.2 5,-0.0 -3,-0.0 0.515 130.1 28.8-101.3 -3.5 12.4 -8.7 11.8 9 11 A N T 4 S+ 0 0 47 -3,-0.4 -5,-2.5 -6,-0.1 -2,-0.2 0.238 90.9 121.6-138.9 21.1 10.2 -5.7 12.2 10 12 A G S >X S- 0 0 4 -4,-1.2 3,-2.8 -5,-0.2 4,-0.7 0.081 82.5 -68.1 -78.4-176.2 7.2 -7.0 14.2 11 13 A P G >4 S+ 0 0 26 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.788 127.3 62.0 -45.6 -37.2 5.8 -5.9 17.6 12 14 A E G 34 S+ 0 0 139 1,-0.2 3,-0.1 2,-0.1 4,-0.1 0.625 107.3 46.6 -70.9 -7.1 8.9 -7.1 19.6 13 15 A H G X> S+ 0 0 61 -3,-2.8 3,-1.7 1,-0.1 4,-0.6 0.603 86.6 87.9-103.2 -16.8 11.0 -4.6 17.6 14 16 A W H XX S+ 0 0 6 -3,-0.8 4,-2.3 -4,-0.7 3,-0.7 0.791 74.2 69.4 -59.4 -30.3 8.7 -1.5 17.9 15 17 A H H 34 S+ 0 0 64 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.750 87.4 67.8 -65.4 -22.2 10.2 -0.3 21.2 16 18 A K H <4 S+ 0 0 136 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.918 117.5 22.2 -68.1 -38.6 13.5 0.6 19.5 17 19 A D H << S+ 0 0 107 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.759 136.1 38.2 -91.8 -20.4 11.8 3.4 17.5 18 20 A F >< - 0 0 56 -4,-2.3 3,-2.7 1,-0.1 -1,-0.2 -0.744 65.4-178.3-131.2 78.9 8.8 3.9 19.8 19 21 A P G > S+ 0 0 103 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 0.740 75.2 76.4 -57.7 -20.2 10.0 3.5 23.4 20 22 A I G > + 0 0 52 1,-0.3 3,-2.3 180,-0.2 -5,-0.1 0.655 69.9 89.5 -66.3 -10.2 6.5 4.1 24.7 21 23 A A G < S+ 0 0 7 -3,-2.7 -1,-0.3 1,-0.3 -6,-0.1 0.768 89.2 47.0 -56.5 -24.5 5.9 0.5 23.6 22 24 A K G < S+ 0 0 138 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.1 -0.059 95.6 132.7-104.7 32.7 7.0 -0.5 27.0 23 25 A G S < S- 0 0 14 -3,-2.3 3,-0.4 1,-0.1 -3,-0.0 0.077 70.7-102.4 -77.2-174.7 4.8 2.1 28.7 24 26 A E S S+ 0 0 122 1,-0.2 227,-0.3 226,-0.1 -1,-0.1 0.608 113.1 33.7 -90.0 -13.4 2.4 2.1 31.6 25 27 A R S S+ 0 0 47 225,-0.1 -1,-0.2 169,-0.1 2,-0.2 -0.323 79.5 154.5-141.3 55.8 -0.9 1.9 29.5 26 28 A Q - 0 0 3 -3,-0.4 221,-0.2 222,-0.4 171,-0.1 -0.533 33.5 -99.4 -86.8 151.2 -0.2 -0.1 26.4 27 29 A S S S+ 0 0 0 169,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.860 78.0 39.1-122.7 155.3 -2.8 -2.0 24.3 28 30 A P + 0 0 0 0, 0.0 219,-2.6 0, 0.0 2,-0.3 0.621 66.0 176.5 -80.7-176.5 -4.1 -4.5 23.7 29 31 A V - 0 0 1 217,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.933 36.1 -98.4-141.2 161.0 -4.5 -6.5 26.9 30 32 A D E -a 106 0A 27 217,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.737 34.3-139.2 -78.4 135.0 -5.9 -9.8 28.1 31 33 A I E -a 107 0A 0 75,-3.2 77,-2.5 -2,-0.4 2,-1.0 -0.881 10.2-159.0 -99.7 105.2 -9.4 -9.3 29.6 32 34 A D >> - 0 0 66 -2,-0.8 4,-1.7 75,-0.2 3,-0.8 -0.803 5.1-161.4 -85.6 104.1 -9.6 -11.5 32.7 33 35 A T T 34 S+ 0 0 44 -2,-1.0 -1,-0.2 1,-0.3 223,-0.0 0.686 85.4 53.3 -63.3 -24.9 -13.4 -11.7 33.0 34 36 A H T 34 S+ 0 0 167 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.815 113.5 44.0 -80.2 -29.6 -13.4 -12.9 36.6 35 37 A T T <4 S+ 0 0 110 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.652 86.7 102.7 -90.2 -28.0 -11.2 -9.9 37.7 36 38 A A S < S- 0 0 17 -4,-1.7 2,-0.6 219,-0.1 219,-0.2 -0.369 72.7-127.8 -57.8 140.1 -12.9 -7.1 35.7 37 39 A K E -c 255 0B 125 217,-2.2 219,-2.6 222,-0.0 2,-0.2 -0.805 9.5-126.1 -98.5 123.2 -15.1 -5.1 38.1 38 40 A Y E -c 256 0B 87 -2,-0.6 219,-0.2 217,-0.2 221,-0.1 -0.532 25.7-162.8 -59.8 129.4 -18.8 -4.4 37.4 39 41 A D > - 0 0 31 217,-2.5 3,-3.7 -2,-0.2 -1,-0.1 -0.727 13.5-175.3-122.0 76.9 -19.1 -0.6 37.5 40 42 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 217,-0.0 0.694 81.7 71.7 -47.8 -20.3 -22.8 0.3 37.9 41 43 A S T 3 S+ 0 0 85 -3,-0.1 2,-0.3 2,-0.1 216,-0.1 0.575 79.1 103.4 -70.7 -6.7 -21.8 4.0 37.6 42 44 A L < - 0 0 30 -3,-3.7 3,-0.1 214,-0.2 214,-0.0 -0.622 67.1-140.3 -81.6 136.6 -21.1 3.2 34.0 43 45 A K - 0 0 129 37,-1.0 2,-0.2 -2,-0.3 39,-0.1 -0.394 27.8 -90.4 -85.6 165.0 -23.7 4.4 31.5 44 46 A P - 0 0 112 0, 0.0 36,-1.4 0, 0.0 -1,-0.1 -0.551 50.5-103.5 -68.2 144.8 -24.9 2.6 28.4 45 47 A L E -D 79 0B 15 142,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.308 26.2-145.7 -55.5 146.5 -23.0 3.3 25.4 46 48 A S E -D 78 0B 34 32,-2.6 32,-2.0 -3,-0.1 2,-0.7 -0.934 18.1-179.7-120.7 106.1 -24.5 5.7 22.8 47 49 A V E +D 77 0B 33 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.920 1.3 179.7-100.0 111.3 -23.6 4.7 19.3 48 50 A S E +D 76 0B 43 28,-3.0 28,-2.2 -2,-0.7 3,-0.2 -0.813 22.2 143.6-120.3 91.3 -25.3 7.2 16.9 49 51 A Y > + 0 0 3 -2,-0.6 3,-1.7 26,-0.2 131,-0.2 0.161 31.4 112.1-109.8 8.6 -24.3 6.2 13.4 50 52 A D T 3 S+ 0 0 90 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.869 85.8 38.6 -60.5 -33.1 -27.5 7.0 11.5 51 53 A Q T 3 S+ 0 0 125 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.234 83.7 148.5-103.4 21.6 -26.0 9.9 9.6 52 54 A A < - 0 0 25 -3,-1.7 2,-0.5 22,-0.1 124,-0.1 -0.199 32.5-157.5 -54.2 140.4 -22.6 8.2 8.9 53 55 A T - 0 0 42 16,-0.3 16,-2.5 123,-0.1 2,-0.2 -0.863 5.7-165.0-122.8 92.7 -20.9 9.2 5.7 54 56 A S E +E 68 0B 1 -2,-0.5 122,-0.6 123,-0.3 14,-0.3 -0.519 12.2 172.7 -74.5 152.2 -18.4 6.7 4.5 55 57 A L E - 0 0 78 12,-3.2 119,-2.4 1,-0.4 2,-0.3 0.695 48.8 -4.5-121.5 -46.1 -16.0 8.0 1.8 56 58 A R E -EF 67 173B 88 11,-1.1 11,-3.1 117,-0.3 2,-0.4 -0.976 46.5-134.6-154.6 157.7 -13.2 5.7 0.9 57 59 A I E -EF 66 172B 0 115,-2.5 115,-1.8 -2,-0.3 2,-0.4 -0.988 28.1-170.2-122.4 131.7 -11.4 2.4 1.6 58 60 A L E -EF 65 171B 32 7,-2.7 7,-2.5 -2,-0.4 2,-0.8 -0.965 25.2-146.7-127.1 135.2 -7.7 2.4 1.8 59 61 A N E +E 64 0B 0 111,-3.0 110,-3.3 -2,-0.4 111,-0.2 -0.863 22.1 179.5 -87.9 110.7 -5.0 -0.3 2.0 60 62 A N - 0 0 55 3,-1.8 4,-0.1 -2,-0.8 -1,-0.1 0.322 52.8 -99.5 -99.0 10.1 -2.3 1.4 4.1 61 63 A G S S+ 0 0 7 2,-0.5 3,-0.1 167,-0.2 107,-0.1 0.313 118.0 52.5 94.5 -8.8 0.2 -1.5 4.2 62 64 A H S S- 0 0 36 1,-0.6 2,-0.2 -58,-0.1 167,-0.1 0.602 124.4 -27.6-123.4 -38.4 -0.9 -2.7 7.6 63 65 A A S S- 0 0 6 -5,-0.1 -3,-1.8 166,-0.1 -1,-0.6 -0.812 70.9 -90.6-157.8-172.3 -4.6 -3.1 7.4 64 66 A F E -E 59 0B 0 -2,-0.2 2,-0.5 -5,-0.2 29,-0.5 -0.973 35.1-153.1-116.1 140.7 -7.5 -1.6 5.3 65 67 A N E -E 58 0B 24 -7,-2.5 -7,-2.7 -2,-0.4 2,-0.7 -0.943 8.8-151.5-110.5 126.8 -9.3 1.5 6.7 66 68 A V E -EG 57 91B 0 25,-2.6 25,-1.7 -2,-0.5 2,-0.3 -0.896 30.5-150.7 -88.5 115.3 -12.9 2.4 5.8 67 69 A E E -EG 56 90B 45 -11,-3.1 -12,-3.2 -2,-0.7 -11,-1.1 -0.697 11.9-160.7 -97.1 148.1 -12.8 6.2 6.2 68 70 A F E -E 54 0B 7 21,-2.4 2,-0.8 -2,-0.3 -14,-0.2 -0.813 31.5 -99.1-121.4 155.8 -15.6 8.6 7.2 69 71 A D + 0 0 32 -16,-2.5 -16,-0.3 -2,-0.3 5,-0.3 -0.700 42.3 170.5 -69.0 110.1 -16.4 12.2 6.9 70 72 A D + 0 0 43 -2,-0.8 -1,-0.1 1,-0.1 17,-0.1 -0.030 47.7 103.1-112.7 27.6 -15.5 13.5 10.3 71 73 A S S S+ 0 0 82 57,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.411 91.0 26.4 -89.4 -0.9 -15.8 17.2 9.5 72 74 A Q S S- 0 0 116 -3,-0.2 2,-2.2 3,-0.1 3,-0.4 -0.948 98.7 -89.0-149.6 166.3 -19.1 17.2 11.3 73 75 A D S S+ 0 0 85 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.309 76.8 128.1 -74.0 55.2 -20.9 15.3 14.1 74 76 A K S S+ 0 0 49 -2,-2.2 -23,-0.8 -5,-0.3 2,-0.4 0.836 73.6 22.3 -84.8 -35.1 -22.4 12.7 11.7 75 77 A A S S+ 0 0 5 -3,-0.4 13,-3.1 -6,-0.2 2,-0.3 -0.885 84.9 168.8-135.2 102.6 -21.3 9.4 13.3 76 78 A V E -DH 48 87B 15 -28,-2.2 -28,-3.0 -2,-0.4 2,-0.4 -0.888 31.3-148.4-130.7 156.3 -20.5 9.7 17.1 77 79 A L E +DH 47 86B 0 9,-2.7 9,-2.3 -2,-0.3 2,-0.3 -0.959 30.8 154.9-115.3 132.2 -19.9 7.7 20.2 78 80 A K E +D 46 0B 72 -32,-2.0 -32,-2.6 -2,-0.4 7,-0.1 -0.901 37.2 30.7-145.7 167.9 -20.9 9.1 23.6 79 81 A G E > S+D 45 0B 18 5,-0.5 3,-2.2 3,-0.3 -34,-0.3 -0.325 72.6 86.3 77.5-159.1 -21.8 7.8 27.0 80 82 A G T 3 S- 0 0 4 -36,-1.4 -37,-1.0 1,-0.3 -1,-0.1 -0.431 121.6 -23.2 56.5-129.1 -20.4 4.7 28.6 81 83 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.477 116.9 111.1 -85.4 -2.2 -17.1 5.7 30.3 82 84 A L < - 0 0 11 -3,-2.2 2,-0.5 -39,-0.1 -3,-0.3 -0.492 55.8-151.4 -86.3 143.5 -16.8 8.8 28.0 83 85 A D - 0 0 130 -2,-0.2 2,-0.1 54,-0.1 -1,-0.0 -0.931 68.1 -14.7-102.0 121.3 -17.1 12.5 28.6 84 86 A G S S- 0 0 50 -2,-0.5 -5,-0.5 38,-0.1 2,-0.4 -0.461 99.4 -36.0 86.0-162.4 -18.2 14.4 25.7 85 87 A T - 0 0 34 -7,-0.1 38,-2.2 -2,-0.1 2,-0.5 -0.869 41.7-164.8-116.3 130.0 -18.5 13.5 22.0 86 88 A Y E -HI 77 122B 4 -9,-2.3 -9,-2.7 -2,-0.4 2,-0.4 -0.975 14.6-143.5-122.0 125.3 -16.2 11.3 19.9 87 89 A R E -HI 76 121B 47 34,-2.7 34,-2.1 -2,-0.5 2,-0.3 -0.722 18.1-119.1 -92.0 133.5 -16.4 11.4 16.1 88 90 A L E + I 0 120B 3 -13,-3.1 32,-0.3 -2,-0.4 -13,-0.1 -0.484 37.3 166.0 -68.4 125.9 -15.9 8.3 14.0 89 91 A I E - 0 0 34 30,-2.7 -21,-2.4 1,-0.4 2,-0.3 0.739 60.5 -24.4-109.3 -37.5 -13.0 8.8 11.6 90 92 A Q E -GI 67 119B 29 29,-1.2 29,-2.7 -23,-0.2 -1,-0.4 -0.981 48.2-144.3-165.2 159.3 -12.3 5.2 10.4 91 93 A F E +GI 66 118B 0 -25,-1.7 -25,-2.6 -2,-0.3 2,-0.3 -0.958 23.5 163.8-127.1 159.4 -12.7 1.5 11.1 92 94 A H E - I 0 117B 21 25,-1.9 25,-3.1 -2,-0.3 2,-0.3 -0.930 23.6-124.8-158.0 173.4 -10.3 -1.4 10.4 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 23,-0.2 -0.863 0.8-149.5-125.1 161.8 -9.7 -4.9 11.3 94 96 A H E + I 0 115B 4 21,-2.1 21,-2.3 -2,-0.3 2,-0.3 -0.988 31.5 169.6-121.0 136.7 -6.9 -7.1 12.7 95 97 A W E - I 0 114B 0 -2,-0.4 147,-1.1 19,-0.2 146,-0.9 -0.915 23.7-118.6-149.6 169.3 -6.9 -10.8 11.6 96 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.499 24.8-119.4-103.8 171.0 -4.9 -14.0 11.6 97 99 A S S S+ 0 0 42 143,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.655 106.8 25.3 -75.0 -18.1 -3.4 -16.4 9.1 98 100 A L S > S- 0 0 120 3,-0.2 3,-1.7 15,-0.1 -2,-0.2 -0.933 91.0-106.4-142.1 160.9 -5.7 -19.1 10.8 99 101 A D T 3 S+ 0 0 75 -2,-0.3 49,-0.1 1,-0.3 15,-0.1 0.759 109.9 72.0 -69.1 -18.6 -9.0 -18.8 12.6 100 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.438 106.8 24.1 -71.8 -2.4 -7.2 -19.6 16.0 101 103 A Q < + 0 0 64 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.2 -0.961 66.7 100.9-154.5 166.2 -5.6 -16.1 16.1 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 -0.012 55.9 104.8 143.2 -34.3 -6.1 -12.6 14.8 103 105 A S - 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