==== 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 03-JUN-11 3SAX . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.GRAZULIS,E.MANAKOVA,G.TAMULAITIENE . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 62.8 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 . 3 1.2 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 23 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.2 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 2 2 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 0 180 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 74.2 13.4 -1.0 7.6 2 4 A H - 0 0 119 1,-0.2 0, 0.0 15,-0.0 0, 0.0 -0.376 360.0 -73.1 -96.6 171.9 10.1 0.2 9.0 3 5 A W + 0 0 44 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.209 63.0 128.3 -66.7 151.6 7.7 -1.4 11.3 4 6 A G - 0 0 6 5,-2.3 10,-0.1 2,-0.1 -1,-0.1 -0.784 64.7 -60.3-163.4-154.7 5.4 -4.3 10.3 5 7 A Y S S+ 0 0 34 -2,-0.2 2,-0.2 5,-0.2 5,-0.1 -0.298 88.6 87.6-111.0 49.7 4.1 -7.8 11.1 6 8 A G S > S- 0 0 35 0, 0.0 4,-2.5 0, 0.0 -2,-0.1 -0.699 84.3 -86.5-135.9-174.4 7.4 -10.1 10.9 7 9 A K T 4 S+ 0 0 173 1,-0.2 5,-0.0 2,-0.2 0, 0.0 0.786 124.3 30.4 -62.3 -40.2 10.5 -11.6 12.8 8 10 A H T 4 S+ 0 0 118 1,-0.1 -1,-0.2 5,-0.0 -5,-0.0 0.619 136.9 25.6-100.1 -8.2 12.9 -8.7 12.2 9 11 A N T 4 S+ 0 0 44 -3,-0.0 -5,-2.3 -6,-0.0 -2,-0.2 0.256 97.6 106.1-136.3 3.1 10.2 -5.8 12.1 10 12 A G S >X S- 0 0 2 -4,-2.5 3,-2.7 -7,-0.2 4,-0.7 0.078 89.0 -62.1 -80.2-171.6 7.2 -7.1 14.2 11 13 A P G >4 S+ 0 0 25 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.739 127.4 59.0 -43.8 -37.6 5.8 -6.3 17.6 12 14 A E G 34 S+ 0 0 139 1,-0.2 -5,-0.1 2,-0.1 3,-0.1 0.606 109.8 45.5 -73.8 -10.9 8.9 -7.4 19.5 13 15 A H G X> S+ 0 0 53 -3,-2.7 3,-1.8 1,-0.1 4,-0.5 0.548 85.8 90.3 -98.6 -15.3 11.0 -4.8 17.6 14 16 A W H XX S+ 0 0 6 -4,-0.7 4,-2.4 -3,-0.7 3,-0.7 0.791 72.6 70.8 -60.7 -31.8 8.7 -1.8 17.9 15 17 A H H 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.702 87.4 65.2 -56.0 -29.9 10.2 -0.5 21.1 16 18 A K H <4 S+ 0 0 128 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.932 117.1 25.3 -63.5 -46.6 13.4 0.5 19.4 17 19 A D H << S+ 0 0 114 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.744 137.2 33.7 -84.4 -23.5 11.6 3.2 17.2 18 20 A F >< - 0 0 54 -4,-2.4 3,-2.6 1,-0.1 -1,-0.2 -0.746 65.2-178.8-135.5 80.1 8.7 3.7 19.7 19 21 A P G > S+ 0 0 98 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.705 75.8 77.6 -64.0 -18.9 10.0 3.3 23.3 20 22 A I G > S+ 0 0 54 1,-0.3 3,-2.6 179,-0.2 5,-0.2 0.629 70.7 88.9 -59.8 -12.0 6.4 3.9 24.6 21 23 A A G < S+ 0 0 6 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.759 90.5 45.0 -56.7 -26.9 5.9 0.2 23.5 22 24 A K G < S+ 0 0 136 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.048 97.0 126.9-102.6 26.4 7.1 -0.7 27.0 23 25 A G S < S- 0 0 15 -3,-2.6 3,-0.5 1,-0.1 -3,-0.0 0.123 73.6 -97.5 -79.5-172.4 4.8 2.0 28.7 24 26 A E S S+ 0 0 123 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.543 112.6 34.4 -88.7 -9.5 2.3 1.9 31.5 25 27 A R S S+ 0 0 45 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.313 77.6 155.4-145.7 57.7 -0.9 1.7 29.5 26 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.544 32.9 -99.3 -86.2 154.5 -0.2 -0.3 26.3 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.876 77.9 38.6-125.7 158.2 -2.8 -2.3 24.3 28 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.592 65.0 177.4 -77.3-178.8 -4.1 -4.8 23.7 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.929 36.3-100.2-137.2 160.9 -4.5 -6.8 26.9 30 32 A D E -a 106 0A 31 216,-0.4 2,-0.7 -2,-0.3 77,-0.2 -0.719 34.9-139.9 -79.4 138.6 -6.0 -10.1 28.0 31 33 A I E -a 107 0A 0 75,-2.7 77,-2.7 -2,-0.4 2,-0.9 -0.880 9.1-157.4-105.6 107.2 -9.4 -9.6 29.6 32 34 A D >> - 0 0 70 -2,-0.7 4,-2.1 75,-0.2 3,-0.8 -0.782 5.2-159.7 -89.6 106.3 -9.8 -11.9 32.6 33 35 A T T 34 S+ 0 0 47 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.780 85.2 54.1 -65.5 -29.8 -13.6 -12.1 32.9 34 36 A H T 34 S+ 0 0 168 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.783 113.6 40.6 -71.4 -28.1 -13.6 -13.2 36.5 35 37 A T T <4 S+ 0 0 106 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.1 0.716 84.8 106.4 -97.3 -24.6 -11.5 -10.3 37.7 36 38 A A S < S- 0 0 17 -4,-2.1 2,-0.6 1,-0.1 218,-0.2 -0.248 75.0-121.5 -50.3 136.4 -13.0 -7.5 35.7 37 39 A K E -c 254 0B 139 216,-2.1 218,-2.4 2,-0.0 2,-0.3 -0.851 10.9-130.4 -93.8 122.2 -15.0 -5.4 38.1 38 40 A Y E -c 255 0B 105 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.494 25.8-161.2 -63.2 127.2 -18.7 -4.9 37.4 39 41 A D > - 0 0 32 216,-2.7 3,-2.0 -2,-0.3 -1,-0.1 -0.903 15.9-168.7-121.1 102.5 -19.2 -1.1 37.7 40 42 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.660 86.6 68.2 -66.4 -14.6 -22.8 -0.1 38.2 41 43 A S T 3 S+ 0 0 83 -3,-0.1 215,-0.1 2,-0.1 2,-0.0 0.616 78.3 103.9 -71.8 -18.1 -21.8 3.6 37.5 42 44 A L < - 0 0 29 -3,-2.0 38,-0.0 213,-0.2 3,-0.0 -0.379 65.3-140.9 -66.8 142.8 -21.1 2.6 33.8 43 45 A K - 0 0 129 37,-1.1 39,-0.1 1,-0.1 -1,-0.1 -0.666 26.5 -87.2 -98.9 159.4 -23.7 3.8 31.3 44 46 A P - 0 0 114 0, 0.0 36,-1.7 0, 0.0 2,-0.2 -0.453 52.3-105.5 -56.4 146.1 -25.1 2.1 28.3 45 47 A L E -D 79 0B 12 141,-0.3 2,-0.6 34,-0.3 34,-0.2 -0.559 28.0-147.1 -71.0 138.9 -23.0 2.8 25.3 46 48 A S E +D 78 0B 30 32,-2.7 32,-2.2 -2,-0.2 2,-0.6 -0.948 19.5 177.4-111.1 113.2 -24.6 5.2 22.8 47 49 A V E +D 77 0B 31 -2,-0.6 2,-0.6 30,-0.2 30,-0.2 -0.951 2.2 179.8-116.9 113.1 -23.7 4.4 19.3 48 50 A S E +D 76 0B 41 28,-2.8 28,-1.8 -2,-0.6 3,-0.2 -0.811 20.5 148.6-122.9 92.1 -25.3 6.7 16.8 49 51 A Y > + 0 0 4 -2,-0.6 3,-1.9 26,-0.2 130,-0.2 0.306 33.7 116.1-109.3 15.7 -24.3 5.8 13.2 50 52 A D T 3 S+ 0 0 91 1,-0.3 -1,-0.2 24,-0.1 25,-0.1 0.728 86.5 33.9 -56.0 -29.8 -27.6 6.9 11.5 51 53 A Q T 3 S+ 0 0 124 23,-0.2 -1,-0.3 -3,-0.2 24,-0.2 0.158 82.2 147.7-112.7 10.0 -25.8 9.6 9.5 52 54 A A < - 0 0 22 -3,-1.9 2,-0.7 22,-0.2 18,-0.1 -0.340 32.9-156.2 -55.1 130.2 -22.4 8.0 8.9 53 55 A T - 0 0 43 16,-0.4 16,-2.8 122,-0.1 2,-0.1 -0.884 5.9-163.3-108.9 96.4 -20.9 9.1 5.6 54 56 A S E +E 68 0B 1 -2,-0.7 121,-0.7 122,-0.3 14,-0.3 -0.490 13.2 173.2 -73.1 150.6 -18.5 6.5 4.5 55 57 A L E - 0 0 82 12,-3.1 118,-2.2 1,-0.4 2,-0.3 0.694 49.9 -9.0-120.4 -46.6 -16.1 7.9 1.8 56 58 A R E -EF 67 172B 83 11,-0.9 11,-2.8 116,-0.3 -1,-0.4 -0.981 46.7-132.5-160.4 156.0 -13.3 5.5 0.8 57 59 A I E -EF 66 171B 0 114,-2.5 114,-2.3 -2,-0.3 2,-0.4 -0.993 27.1-169.0-124.1 136.6 -11.5 2.3 1.6 58 60 A L E -EF 65 170B 33 7,-2.5 7,-3.1 -2,-0.4 2,-0.8 -0.983 23.8-146.2-131.0 128.9 -7.7 2.2 1.7 59 61 A N E -E 64 0B 0 110,-2.7 109,-3.1 -2,-0.4 5,-0.2 -0.868 21.5-178.4 -88.2 109.7 -5.1 -0.6 1.9 60 62 A N - 0 0 52 3,-1.5 4,-0.1 -2,-0.8 -1,-0.1 0.317 50.4-103.5 -94.6 9.3 -2.5 1.2 4.0 61 63 A G S S+ 0 0 6 2,-0.6 3,-0.1 166,-0.1 106,-0.1 0.415 115.7 56.5 84.6 -6.1 -0.0 -1.7 3.9 62 64 A H S S- 0 0 41 1,-0.6 2,-0.2 -58,-0.1 166,-0.1 0.532 126.8 -32.4-118.5 -37.4 -0.8 -2.9 7.6 63 65 A A S S- 0 0 6 -5,-0.1 -3,-1.5 31,-0.1 -2,-0.6 -0.805 74.5 -84.8-159.6-165.3 -4.5 -3.4 7.2 64 66 A F E -E 59 0B 0 29,-0.2 2,-0.5 -2,-0.2 29,-0.4 -0.993 33.9-148.1-116.9 136.7 -7.4 -1.7 5.3 65 67 A N E -E 58 0B 27 -7,-3.1 -7,-2.5 -2,-0.4 2,-0.5 -0.886 4.0-153.3-104.2 118.6 -9.1 1.4 6.6 66 68 A V E -EG 57 91B 0 25,-2.7 25,-2.0 -2,-0.5 2,-0.4 -0.838 31.0-150.6 -74.4 119.8 -13.0 2.2 5.9 67 69 A E E -EG 56 90B 47 -11,-2.8 -12,-3.1 -2,-0.5 -11,-0.9 -0.898 13.5-161.3-110.0 145.3 -12.9 6.0 6.1 68 70 A F E -E 54 0B 9 21,-2.5 2,-0.7 -2,-0.4 -14,-0.2 -0.844 31.0-104.0-120.2 150.9 -15.8 8.4 7.2 69 71 A D + 0 0 31 -16,-2.8 -16,-0.4 -2,-0.3 6,-0.3 -0.655 39.3 174.5 -69.7 113.5 -16.5 12.1 6.7 70 72 A D + 0 0 42 -2,-0.7 -1,-0.2 1,-0.1 17,-0.1 0.098 53.2 95.5-109.9 26.4 -15.6 13.4 10.1 71 73 A S S S+ 0 0 88 2,-0.0 2,-0.3 56,-0.0 -1,-0.1 0.516 86.8 47.0 -89.0 -15.2 -16.1 17.2 9.2 72 74 A Q S S- 0 0 120 -3,-0.3 2,-1.6 3,-0.0 3,-0.2 -0.865 98.9-100.4-119.6 161.5 -19.8 17.1 10.6 73 75 A D S S+ 0 0 116 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.706 79.5 125.5 -79.8 76.9 -21.3 15.7 13.8 74 76 A K + 0 0 41 -2,-1.6 2,-0.6 1,-0.3 -23,-0.2 0.627 61.4 29.4-105.7 -87.2 -22.6 12.6 12.0 75 77 A A S S+ 0 0 4 -6,-0.3 13,-2.6 -3,-0.2 2,-0.4 -0.710 77.9 177.5 -92.9 116.2 -21.5 9.3 13.5 76 78 A V E -DH 48 87B 11 -28,-1.8 -28,-2.8 -2,-0.6 2,-0.4 -0.964 25.6-160.1-128.8 139.8 -20.9 9.5 17.3 77 79 A L E +DH 47 86B 0 9,-2.8 9,-2.2 -2,-0.4 2,-0.3 -0.958 32.3 142.8-108.6 134.2 -20.0 7.4 20.3 78 80 A K E +DH 46 85B 92 -32,-2.2 -32,-2.7 -2,-0.4 7,-0.1 -0.870 35.8 40.7-155.1-178.1 -20.8 8.6 23.7 79 81 A G E > S+D 45 0B 18 5,-0.5 3,-2.5 3,-0.3 -34,-0.3 -0.362 73.0 88.9 66.7-156.1 -22.0 7.3 27.1 80 82 A G T 3 S- 0 0 4 -36,-1.7 -37,-1.1 1,-0.3 -1,-0.1 -0.382 120.9 -27.2 66.5-133.9 -20.5 4.1 28.3 81 83 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.448 117.6 107.4 -84.7 -1.2 -17.4 5.2 30.3 82 84 A L < - 0 0 14 -3,-2.5 2,-0.3 -39,-0.1 -3,-0.3 -0.461 56.0-150.4 -86.7 156.9 -16.9 8.3 28.2 83 85 A D S S- 0 0 133 -2,-0.2 -1,-0.0 -5,-0.1 2,-0.0 -0.859 71.4 -4.1-118.6 140.8 -17.5 12.1 28.9 84 86 A G S S- 0 0 52 -2,-0.3 -5,-0.5 38,-0.1 2,-0.3 -0.303 100.8 -49.3 74.6-154.5 -18.4 14.2 26.1 85 87 A T E -H 78 0B 39 -7,-0.1 38,-2.3 -9,-0.0 2,-0.4 -0.935 37.5-160.3-126.0 142.3 -18.7 13.0 22.3 86 88 A Y E -HI 77 122B 6 -9,-2.2 -9,-2.8 -2,-0.3 2,-0.4 -0.981 15.3-140.1-125.7 131.7 -16.4 11.0 20.0 87 89 A R E -HI 76 121B 36 34,-2.7 34,-2.1 -2,-0.4 -11,-0.2 -0.780 17.5-118.7-100.0 127.1 -16.6 11.1 16.3 88 90 A L E + I 0 120B 1 -13,-2.6 32,-0.2 -2,-0.4 -13,-0.2 -0.399 38.2 163.3 -57.9 126.7 -16.2 8.1 14.0 89 91 A I E - 0 0 35 30,-2.4 -21,-2.5 1,-0.4 2,-0.3 0.666 59.2 -33.1-116.2 -36.6 -13.2 8.6 11.6 90 92 A Q E -GI 67 119B 31 29,-1.3 29,-2.7 -23,-0.2 -1,-0.4 -0.987 46.1-138.1-167.1 165.6 -12.6 5.0 10.4 91 93 A F E +GI 66 118B 0 -25,-2.0 -25,-2.7 -2,-0.3 2,-0.3 -0.955 19.7 163.4-129.5 170.5 -12.5 1.4 11.0 92 94 A H E - I 0 117B 22 25,-1.8 25,-3.0 -2,-0.3 2,-0.3 -0.960 22.7-125.2-161.8 177.9 -10.3 -1.5 10.3 93 95 A F E - I 0 116B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.2 -0.850 1.1-147.8-128.9 163.3 -9.6 -5.1 11.3 94 96 A H E + I 0 115B 2 21,-2.0 21,-2.2 -2,-0.3 2,-0.3 -0.980 31.6 168.9-124.0 139.8 -6.8 -7.3 12.6 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.8 -0.935 23.5-114.5-151.6 169.8 -6.8 -11.0 11.6 96 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.6 3,-0.1 -0.467 23.6-120.9-103.7 172.5 -4.9 -14.3 11.5 97 99 A S S S+ 0 0 45 -2,-0.2 2,-0.3 142,-0.2 5,-0.1 0.600 106.2 28.5 -76.5 -20.5 -3.4 -16.8 9.1 98 100 A L S > S- 0 0 105 3,-0.3 3,-1.6 15,-0.1 -2,-0.2 -0.952 90.1-109.0-140.4 158.4 -5.7 -19.3 10.7 99 101 A D T 3 S+ 0 0 76 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.724 110.2 69.0 -67.9 -24.9 -9.1 -19.2 12.3 100 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.385 106.7 29.8 -77.7 5.3 -7.5 -19.9 15.8 101 103 A Q < + 0 0 50 -3,-1.6 -5,-0.6 12,-0.1 -3,-0.3 -0.974 65.0 97.7-151.5 166.9 -5.7 -16.5 16.0 102 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.026 54.2 108.1 141.9 -33.1 -6.1 -12.9 14.8 103 105 A S - 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