==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 05-JUN-11 3SBH . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.GRAZULIS,E.MANAKOVA,G.TAMULAITIENE . 259 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 62.9 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 21.6 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 . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 6.6 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 2 A S 0 0 180 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 86.8 14.2 1.0 4.5 2 3 A H + 0 0 125 3,-0.0 2,-0.1 7,-0.0 3,-0.1 -0.573 360.0 167.0-121.1 67.3 13.4 -1.0 7.7 3 4 A H - 0 0 111 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.367 42.2 -88.0 -79.2 159.5 10.0 0.3 8.6 4 5 A W + 0 0 31 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.236 61.9 134.1 -66.1 157.0 7.8 -1.5 11.3 5 6 A G - 0 0 7 5,-2.6 10,-0.1 2,-0.1 -1,-0.1 -0.790 63.5 -70.2-167.8-149.5 5.5 -4.3 10.3 6 7 A Y S S+ 0 0 34 -2,-0.2 2,-0.2 5,-0.2 5,-0.2 -0.305 85.6 96.0-124.6 46.5 4.4 -7.8 11.3 7 8 A G S > S- 0 0 36 1,-0.0 4,-2.5 0, 0.0 -2,-0.1 -0.638 85.3 -84.1-117.4-164.9 7.4 -10.1 10.6 8 9 A K T 4 S+ 0 0 157 1,-0.2 5,-0.0 -2,-0.2 -1,-0.0 0.850 125.7 31.3 -64.2 -38.4 10.5 -11.7 12.3 9 10 A H T 4 S+ 0 0 112 1,-0.1 -1,-0.2 5,-0.0 -7,-0.0 0.590 135.4 23.6-104.1 -10.6 12.7 -8.7 11.9 10 11 A N T 4 S+ 0 0 46 -6,-0.1 -5,-2.6 5,-0.0 -2,-0.2 0.263 93.3 109.7-133.5 12.0 10.2 -5.9 12.1 11 12 A G S >X S- 0 0 0 -4,-2.5 3,-3.1 -7,-0.2 4,-0.9 0.104 87.3 -61.3 -82.3-166.7 7.1 -7.1 14.0 12 13 A P G >4 S+ 0 0 26 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.814 128.6 58.8 -51.8 -38.5 5.8 -6.3 17.4 13 14 A E G 34 S+ 0 0 115 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.644 108.9 48.9 -65.1 -14.2 8.8 -7.4 19.5 14 15 A H G X> S+ 0 0 45 -3,-3.1 3,-1.8 1,-0.1 4,-0.6 0.590 85.5 89.1 -94.0 -16.0 10.9 -4.9 17.5 15 16 A W H < - 0 0 54 -4,-2.6 3,-2.8 1,-0.1 -1,-0.2 -0.775 65.2-178.9-134.3 78.3 8.7 3.6 19.6 20 21 A P G > S+ 0 0 99 0, 0.0 3,-1.8 0, 0.0 -4,-0.1 0.741 75.6 76.2 -61.6 -21.5 10.0 3.2 23.0 21 22 A I G > S+ 0 0 57 1,-0.3 3,-2.4 179,-0.2 -5,-0.1 0.612 70.8 91.5 -62.0 -10.6 6.5 3.8 24.5 22 23 A A G < S+ 0 0 7 -3,-2.8 -1,-0.3 1,-0.3 -6,-0.1 0.751 89.7 43.9 -50.1 -28.5 6.0 0.2 23.3 23 24 A K G < S+ 0 0 140 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.011 97.7 130.6-106.4 23.7 7.1 -0.8 26.9 24 25 A G S < S- 0 0 15 -3,-2.4 3,-0.5 1,-0.1 -3,-0.1 0.133 71.7-100.1 -72.1-173.7 4.9 2.0 28.5 25 26 A E S S+ 0 0 129 1,-0.2 227,-0.2 169,-0.0 -1,-0.1 0.589 112.4 34.1 -92.3 -10.0 2.5 1.9 31.3 26 27 A R S S+ 0 0 46 168,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.345 79.5 156.3-140.0 58.4 -0.8 1.8 29.4 27 28 A Q - 0 0 4 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.555 32.8 -99.2 -89.9 153.4 -0.1 -0.3 26.2 28 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.907 77.7 38.7-121.7 157.6 -2.7 -2.2 24.2 29 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.554 65.1 179.9 -78.4 178.8 -4.0 -4.8 23.6 30 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.918 35.3-102.1-136.7 156.6 -4.5 -6.8 26.8 31 32 A D E -a 107 0A 33 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.738 34.9-137.8 -74.4 132.8 -5.9 -10.1 27.9 32 33 A I E -a 108 0A 0 75,-3.2 77,-2.9 -2,-0.4 2,-1.0 -0.859 11.0-159.1 -96.0 99.6 -9.3 -9.5 29.5 33 34 A D >> - 0 0 70 -2,-0.9 4,-1.3 75,-0.2 3,-0.5 -0.790 6.1-163.2 -78.7 101.5 -9.4 -11.7 32.5 34 35 A T T 34 S+ 0 0 41 -2,-1.0 -1,-0.2 1,-0.2 222,-0.0 0.730 84.6 54.7 -70.0 -20.9 -13.2 -11.9 32.8 35 36 A H T 34 S+ 0 0 173 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.876 113.0 41.9 -78.1 -29.0 -13.2 -13.1 36.5 36 37 A T T <4 S+ 0 0 99 -3,-0.5 -2,-0.2 2,-0.1 2,-0.2 0.546 87.8 106.0 -93.8 -14.7 -11.0 -10.1 37.6 37 38 A A S < S- 0 0 15 -4,-1.3 2,-0.6 216,-0.1 218,-0.2 -0.524 72.9-131.0 -68.1 133.2 -12.9 -7.4 35.5 38 39 A K E -c 255 0B 129 216,-2.0 218,-2.5 -2,-0.2 2,-0.2 -0.807 10.0-127.3 -92.1 122.2 -15.0 -5.4 38.0 39 40 A Y E -c 256 0B 91 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.482 25.6-159.1 -59.4 135.3 -18.6 -4.9 37.2 40 41 A D > - 0 0 30 216,-2.8 3,-2.3 -2,-0.2 -1,-0.1 -0.893 14.1-168.8-128.1 98.7 -19.1 -1.1 37.5 41 42 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.714 85.7 66.4 -67.2 -16.3 -22.8 -0.1 38.0 42 43 A S T 3 S+ 0 0 90 2,-0.1 2,-0.2 40,-0.0 215,-0.1 0.560 76.7 104.4 -75.9 -8.6 -21.9 3.5 37.4 43 44 A L < - 0 0 28 -3,-2.3 3,-0.1 213,-0.2 38,-0.0 -0.561 67.6-138.4 -69.7 139.1 -21.0 2.7 33.7 44 45 A K - 0 0 136 37,-1.4 39,-0.1 -2,-0.2 -2,-0.1 -0.539 29.5 -83.7 -90.6 164.0 -23.7 4.0 31.3 45 46 A P - 0 0 114 0, 0.0 36,-2.0 0, 0.0 2,-0.3 -0.376 54.2-105.3 -55.4 141.3 -25.1 2.1 28.3 46 47 A L E -D 80 0B 11 141,-0.3 2,-0.6 34,-0.3 34,-0.2 -0.590 30.6-146.0 -68.6 138.0 -22.8 2.7 25.2 47 48 A S E +D 79 0B 31 32,-3.1 32,-2.1 -2,-0.3 2,-0.7 -0.925 18.4 179.8-109.5 108.6 -24.4 5.2 22.7 48 49 A V E -D 78 0B 32 -2,-0.6 2,-0.7 30,-0.2 30,-0.2 -0.931 2.9-177.6-111.3 108.7 -23.6 4.4 19.1 49 50 A S E +D 77 0B 43 28,-3.2 28,-1.7 -2,-0.7 3,-0.2 -0.770 23.3 145.7-110.7 82.8 -25.2 6.9 16.8 50 51 A Y > + 0 0 3 -2,-0.7 3,-2.2 26,-0.2 130,-0.2 0.446 33.4 108.2-100.5 3.8 -24.3 5.7 13.2 51 52 A D T 3 S+ 0 0 91 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.837 89.0 37.9 -47.4 -40.1 -27.5 6.7 11.2 52 53 A Q T 3 S+ 0 0 117 23,-0.9 -1,-0.3 -3,-0.2 24,-0.2 0.244 82.0 143.6-105.4 13.8 -25.7 9.5 9.4 53 54 A A < - 0 0 21 -3,-2.2 2,-0.5 22,-0.2 123,-0.1 -0.224 34.1-157.2 -51.1 133.1 -22.3 8.0 8.9 54 55 A T - 0 0 46 16,-0.4 16,-3.0 121,-0.1 2,-0.2 -0.891 4.5-162.4-117.9 97.7 -20.6 8.9 5.6 55 56 A S E +E 69 0B 1 -2,-0.5 121,-0.5 122,-0.3 14,-0.3 -0.479 11.7 176.1 -71.7 149.0 -18.1 6.5 4.4 56 57 A L E - 0 0 82 12,-3.5 118,-2.0 1,-0.4 2,-0.3 0.699 50.3 -9.4-115.9 -46.8 -15.7 7.9 1.7 57 58 A R E -EF 68 173B 81 11,-0.9 11,-3.2 116,-0.3 -1,-0.4 -0.995 47.3-131.7-158.7 155.3 -12.9 5.5 0.7 58 59 A I E -EF 67 172B 0 114,-3.0 114,-2.1 -2,-0.3 2,-0.4 -0.985 27.6-169.8-123.3 138.8 -11.2 2.3 1.5 59 60 A L E -EF 66 171B 33 7,-1.9 7,-2.5 -2,-0.4 2,-0.8 -0.973 25.3-147.6-136.2 124.9 -7.4 2.1 1.7 60 61 A N E -E 65 0B 0 110,-2.9 109,-2.2 -2,-0.4 5,-0.2 -0.879 21.2-179.1 -86.4 110.9 -4.8 -0.6 1.9 61 62 A N - 0 0 53 3,-1.9 4,-0.1 -2,-0.8 -1,-0.1 0.256 52.9-101.2 -97.3 13.3 -2.1 1.1 4.0 62 63 A G S S+ 0 0 5 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.412 117.2 55.6 85.5 -4.7 0.2 -1.8 3.9 63 64 A H S S- 0 0 26 1,-0.6 2,-0.2 -58,-0.1 -1,-0.1 0.590 124.6 -31.0-128.3 -32.8 -0.7 -3.0 7.5 64 65 A A S S- 0 0 6 -5,-0.1 -3,-1.9 31,-0.1 -1,-0.6 -0.849 71.9 -88.0-161.1-167.9 -4.5 -3.4 7.2 65 66 A F E -E 60 0B 0 29,-0.3 2,-0.5 -2,-0.2 29,-0.5 -0.981 34.6-153.2-117.4 139.6 -7.3 -1.8 5.2 66 67 A N E -E 59 0B 23 -7,-2.5 -7,-1.9 -2,-0.4 2,-0.6 -0.941 8.7-152.2-109.4 129.7 -9.2 1.3 6.6 67 68 A V E -EG 58 92B 0 25,-2.6 25,-2.1 -2,-0.5 2,-0.3 -0.902 29.9-151.5 -91.1 121.1 -12.7 2.3 5.7 68 69 A E E -EG 57 91B 42 -11,-3.2 -12,-3.5 -2,-0.6 -11,-0.9 -0.648 10.5-159.2-104.9 150.6 -12.6 6.1 6.1 69 70 A F E -E 55 0B 8 21,-2.5 2,-0.7 -14,-0.3 -14,-0.2 -0.879 28.6-104.8-124.8 155.7 -15.4 8.4 7.0 70 71 A D + 0 0 40 -16,-3.0 -16,-0.4 -2,-0.3 3,-0.2 -0.680 38.9 170.6 -72.4 117.4 -16.2 12.0 6.7 71 72 A D + 0 0 39 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 0.069 46.5 104.4-118.0 25.2 -15.7 13.4 10.2 72 73 A S S S+ 0 0 86 2,-0.0 2,-0.3 56,-0.0 -1,-0.1 0.435 86.3 38.9 -84.4 0.6 -16.0 17.1 9.3 73 74 A Q S S- 0 0 118 -3,-0.2 2,-1.6 3,-0.0 3,-0.3 -0.961 99.5 -97.2-145.1 160.6 -19.5 17.2 10.8 74 75 A D S S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.626 78.0 121.4 -86.6 88.2 -21.0 15.5 13.9 75 76 A K + 0 0 48 -2,-1.6 -23,-0.9 1,-0.3 2,-0.4 0.659 65.6 32.8-115.7 -41.9 -22.6 12.5 12.1 76 77 A A S S+ 0 0 6 -3,-0.3 13,-3.0 -24,-0.2 2,-0.4 -0.912 81.5 171.2-128.8 97.4 -21.4 9.1 13.4 77 78 A V E -DH 49 88B 19 -28,-1.7 -28,-3.2 -2,-0.4 2,-0.5 -0.925 29.0-155.6-125.1 144.3 -20.7 9.5 17.1 78 79 A L E +DH 48 87B 0 9,-3.0 9,-2.9 -2,-0.4 2,-0.3 -0.939 32.8 142.8-111.9 133.9 -19.9 7.3 20.1 79 80 A K E +D 47 0B 89 -32,-2.1 -32,-3.1 -2,-0.5 7,-0.1 -0.911 35.6 41.5-153.9-175.8 -20.7 8.6 23.6 80 81 A G E > S+D 46 0B 16 5,-0.5 3,-2.2 3,-0.3 -34,-0.3 -0.385 75.0 89.2 63.9-147.0 -22.0 7.4 27.0 81 82 A G T 3 S- 0 0 5 -36,-2.0 -37,-1.4 1,-0.3 -1,-0.1 -0.382 121.1 -27.2 54.7-131.4 -20.5 4.2 28.2 82 83 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.528 117.2 110.9 -85.6 1.1 -17.3 5.1 30.1 83 84 A L < - 0 0 12 -3,-2.2 2,-0.4 -39,-0.1 -3,-0.3 -0.460 56.9-149.7 -90.7 150.5 -16.9 8.3 28.0 84 85 A D S S- 0 0 139 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.892 71.3 -13.2-102.4 131.5 -17.2 12.0 28.8 85 86 A G S S- 0 0 53 -2,-0.4 -5,-0.5 38,-0.1 2,-0.4 -0.355 99.3 -41.4 76.2-157.2 -18.3 14.0 25.9 86 87 A T - 0 0 34 -7,-0.1 38,-2.9 -2,-0.1 2,-0.5 -0.942 38.0-162.0-133.2 127.1 -18.5 13.0 22.2 87 88 A Y E -HI 78 123B 5 -9,-2.9 -9,-3.0 -2,-0.4 2,-0.4 -0.923 14.6-142.6-115.4 132.1 -16.3 11.0 19.9 88 89 A R E -HI 77 122B 35 34,-3.1 34,-2.3 -2,-0.5 -11,-0.2 -0.739 19.7-118.9 -98.6 132.6 -16.5 11.2 16.2 89 90 A L E + I 0 121B 1 -13,-3.0 32,-0.3 -2,-0.4 -13,-0.2 -0.470 38.1 164.6 -66.9 129.5 -15.9 8.0 13.9 90 91 A I E - 0 0 36 30,-2.7 -21,-2.5 1,-0.4 2,-0.3 0.703 60.3 -21.0-114.2 -39.6 -12.9 8.6 11.5 91 92 A Q E -GI 68 120B 32 29,-1.2 29,-3.1 -23,-0.2 -1,-0.4 -0.990 48.8-145.6-161.0 159.7 -12.1 5.1 10.3 92 93 A F E +GI 67 119B 0 -25,-2.1 -25,-2.6 -2,-0.3 2,-0.3 -0.961 22.3 161.7-126.3 163.7 -12.5 1.4 10.9 93 94 A H E - I 0 118B 22 25,-1.8 25,-2.9 -2,-0.3 2,-0.3 -0.933 23.7-126.2-162.7 175.1 -10.2 -1.5 10.2 94 95 A F E - I 0 117B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.879 0.8-149.1-130.5 162.8 -9.5 -5.1 11.2 95 96 A H E + I 0 116B 2 21,-1.9 21,-2.3 -2,-0.3 2,-0.3 -0.984 31.5 169.5-125.5 133.6 -6.7 -7.3 12.5 96 97 A W E - I 0 115B 0 -2,-0.4 146,-1.3 19,-0.2 145,-1.2 -0.947 24.6-113.5-146.4 173.1 -6.7 -11.0 11.6 97 98 A G - 0 0 0 17,-1.6 6,-0.1 5,-0.8 3,-0.1 -0.348 22.4-124.3 -99.2 173.4 -4.9 -14.2 11.5 98 99 A S S S+ 0 0 42 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.562 106.1 29.5 -79.8 -12.4 -3.4 -16.7 9.0 99 100 A L S > S- 0 0 104 3,-0.3 3,-1.7 15,-0.1 -2,-0.2 -0.965 90.8-110.3-142.4 153.1 -5.6 -19.3 10.6 100 101 A D T 3 S+ 0 0 71 -2,-0.3 48,-0.1 1,-0.3 -3,-0.1 0.798 109.0 70.3 -59.6 -25.2 -9.0 -19.1 12.3 101 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.422 107.1 25.9 -76.1 4.5 -7.5 -19.8 15.8 102 103 A Q < + 0 0 49 -3,-1.7 -5,-0.8 12,-0.1 -3,-0.3 -0.971 65.3 99.0-153.7 171.1 -5.7 -16.4 16.0 103 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.031 54.2 106.8 139.7 -33.6 -6.0 -12.9 14.8 104 105 A S - 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