==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 23-SEP-10 3OYQ . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.AGGARWAL,R.MCKENNA . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 61.5 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 21.8 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 . 20 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.8 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 . 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 4 A H 0 0 187 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.1 10.1 0.4 8.9 2 5 A W + 0 0 29 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.284 360.0 130.6 -68.0 153.4 7.8 -1.4 11.4 3 6 A G - 0 0 11 5,-2.5 10,-0.1 2,-0.2 -1,-0.1 -0.761 65.1 -76.5-166.4-144.8 5.5 -4.2 10.5 4 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.165 83.9 107.5-125.3 16.3 4.5 -7.7 11.5 5 8 A G S > S- 0 0 40 4,-0.1 4,-1.6 1,-0.1 3,-0.4 -0.247 84.3 -94.1 -86.9-179.5 7.4 -9.8 10.3 6 9 A K T 4 S+ 0 0 174 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.865 123.3 37.9 -62.1 -36.1 10.2 -11.5 12.2 7 10 A H T 4 S+ 0 0 143 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.541 131.1 24.8-100.8 -5.2 12.6 -8.6 11.8 8 11 A N T 4 S+ 0 0 55 -3,-0.4 -5,-2.5 -6,-0.1 -2,-0.2 0.267 94.4 118.0-138.7 15.1 10.2 -5.7 12.2 9 12 A G S >X S- 0 0 3 -4,-1.6 3,-3.0 -7,-0.2 4,-0.8 0.102 83.1 -64.6 -81.2-173.1 7.3 -7.0 14.2 10 13 A P T 34 S+ 0 0 29 0, 0.0 3,-0.4 0, 0.0 4,-0.4 0.731 128.0 59.1 -46.7 -33.2 5.9 -6.2 17.7 11 14 A E T 34 S+ 0 0 143 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.627 109.8 45.7 -75.9 -10.1 9.0 -7.3 19.6 12 15 A H T X4 S+ 0 0 57 -3,-3.0 3,-1.8 1,-0.1 4,-0.5 0.619 86.4 88.4 -98.7 -19.6 11.0 -4.7 17.7 13 16 A W G >X S+ 0 0 5 -4,-0.8 4,-2.6 -3,-0.4 3,-0.8 0.791 74.2 70.0 -57.7 -30.1 8.7 -1.7 17.9 14 17 A H G 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.733 87.3 66.5 -63.1 -24.1 10.1 -0.4 21.2 15 18 A K G <4 S+ 0 0 133 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.919 117.2 23.8 -66.5 -42.2 13.4 0.6 19.5 16 19 A D T <4 S+ 0 0 126 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.733 136.3 36.4 -88.0 -26.2 11.7 3.3 17.4 17 20 A F >< - 0 0 53 -4,-2.6 3,-2.6 1,-0.1 -1,-0.2 -0.776 64.9-178.6-130.7 80.0 8.7 3.8 19.8 18 21 A P G > S+ 0 0 101 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.726 76.0 76.6 -58.8 -21.4 9.9 3.4 23.4 19 22 A I G > S+ 0 0 56 1,-0.3 3,-2.7 179,-0.2 -5,-0.1 0.674 70.6 89.1 -63.1 -11.9 6.3 3.9 24.6 20 23 A A G < S+ 0 0 7 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.758 91.0 45.0 -53.1 -27.6 5.8 0.3 23.5 21 24 A K G < S+ 0 0 138 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.034 96.7 128.1-104.3 25.2 7.0 -0.6 27.0 22 25 A G S < S- 0 0 15 -3,-2.7 3,-0.5 1,-0.1 -3,-0.1 0.113 72.4 -98.6 -76.2-172.6 4.8 2.1 28.7 23 26 A E S S+ 0 0 121 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.535 112.7 33.8 -89.8 -10.1 2.2 2.0 31.5 24 27 A R S S+ 0 0 46 224,-0.1 -1,-0.2 168,-0.0 2,-0.2 -0.279 79.1 155.1-143.4 55.4 -1.0 1.8 29.5 25 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.513 32.3-100.6 -85.3 152.2 -0.3 -0.2 26.3 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.893 77.6 39.6-126.0 158.1 -2.8 -2.1 24.3 27 30 A P + 0 0 0 0, 0.0 218,-2.6 0, 0.0 2,-0.3 0.575 65.9 175.7 -78.6-179.0 -4.1 -4.7 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.924 36.3 -98.5-137.5 163.6 -4.5 -6.6 26.8 29 32 A D E -a 105 0A 27 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.735 33.2-139.5 -78.4 133.6 -6.0 -9.9 28.0 30 33 A I E -a 106 0A 0 75,-2.9 77,-2.7 -2,-0.4 2,-0.9 -0.874 10.5-158.8 -96.6 103.6 -9.4 -9.4 29.5 31 34 A D >> - 0 0 69 -2,-0.8 4,-1.6 75,-0.2 3,-0.7 -0.796 4.9-160.8 -83.9 105.9 -9.6 -11.7 32.5 32 35 A T T 34 S+ 0 0 43 -2,-0.9 -1,-0.2 1,-0.2 222,-0.0 0.786 86.3 52.9 -64.6 -27.2 -13.4 -12.0 32.8 33 36 A H T 34 S+ 0 0 171 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.825 113.0 43.3 -80.6 -24.3 -13.3 -13.1 36.4 34 37 A T T <4 S+ 0 0 111 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.623 90.0 98.9 -96.1 -19.4 -11.1 -10.2 37.5 35 38 A A S < S- 0 0 18 -4,-1.6 2,-0.5 216,-0.1 218,-0.2 -0.457 70.5-138.3 -63.8 140.1 -13.0 -7.5 35.6 36 39 A K E -c 253 0B 133 216,-1.9 218,-2.5 -2,-0.1 2,-0.1 -0.902 9.4-117.4-112.9 134.4 -15.3 -5.7 37.9 37 40 A Y E -c 254 0B 86 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.422 24.7-158.7 -59.1 132.1 -18.8 -4.6 37.3 38 41 A D > - 0 0 40 216,-2.5 3,-2.1 -2,-0.1 -1,-0.1 -0.894 6.5-168.9-118.2 97.1 -19.0 -0.8 37.5 39 42 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.661 84.4 64.1 -67.5 -13.4 -22.7 0.2 38.2 40 43 A S T 3 S+ 0 0 90 -3,-0.1 2,-0.1 2,-0.1 215,-0.1 0.587 77.3 105.6 -83.7 -14.5 -21.9 3.8 37.5 41 44 A L < - 0 0 31 -3,-2.1 3,-0.1 213,-0.2 38,-0.0 -0.442 67.3-135.8 -61.0 141.4 -21.0 3.1 33.9 42 45 A K - 0 0 134 37,-1.1 39,-0.1 1,-0.1 3,-0.1 -0.561 26.7 -88.0 -94.9 161.1 -23.7 4.3 31.5 43 46 A P - 0 0 110 0, 0.0 36,-1.5 0, 0.0 -1,-0.1 -0.417 51.9-105.2 -61.1 144.1 -25.1 2.5 28.4 44 47 A L E -D 78 0B 15 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.447 26.5-147.3 -63.1 149.4 -23.1 3.2 25.3 45 48 A S E -D 77 0B 41 32,-2.6 32,-2.2 -2,-0.1 2,-0.6 -0.963 17.0-179.2-119.6 110.8 -24.6 5.5 22.8 46 49 A V E -D 76 0B 33 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.941 0.4-179.0-112.0 107.8 -23.7 4.6 19.3 47 50 A S E +D 75 0B 40 28,-2.9 28,-2.0 -2,-0.6 3,-0.2 -0.822 22.8 144.2-113.7 89.0 -25.3 7.0 16.8 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.7 26,-0.2 130,-0.2 0.260 33.9 108.5-108.2 11.0 -24.4 6.0 13.3 49 52 A D T 3 S+ 0 0 93 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.833 87.3 40.0 -62.1 -30.0 -27.6 6.8 11.4 50 53 A Q T 3 S+ 0 0 125 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.195 83.3 145.6-103.7 16.5 -25.9 9.8 9.7 51 54 A A < - 0 0 23 -3,-1.7 2,-0.5 1,-0.1 23,-0.1 -0.252 33.3-159.3 -56.3 138.7 -22.6 8.2 9.0 52 55 A T - 0 0 47 16,-0.3 16,-2.7 122,-0.1 2,-0.2 -0.890 5.5-165.3-122.7 94.7 -20.9 9.2 5.7 53 56 A S E +E 67 0B 1 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.514 11.5 173.7 -73.4 149.5 -18.3 6.7 4.5 54 57 A L E - 0 0 79 12,-3.1 118,-2.1 1,-0.4 2,-0.3 0.680 49.3 -4.2-121.0 -43.9 -16.0 8.0 1.8 55 58 A R E -EF 66 171B 83 11,-1.1 11,-2.8 116,-0.3 -1,-0.4 -0.979 46.4-134.7-157.9 155.4 -13.2 5.7 0.9 56 59 A I E -EF 65 170B 0 114,-2.4 114,-2.2 -2,-0.3 2,-0.4 -0.991 27.2-171.1-123.6 134.9 -11.4 2.5 1.6 57 60 A L E -EF 64 169B 33 7,-2.3 7,-2.6 -2,-0.4 2,-0.8 -0.988 24.5-147.4-131.2 129.6 -7.6 2.4 1.8 58 61 A N E -E 63 0B 0 110,-2.7 109,-2.9 -2,-0.4 110,-0.3 -0.893 21.6-179.8 -87.7 111.6 -5.0 -0.4 2.0 59 62 A N - 0 0 38 3,-1.9 4,-0.1 -2,-0.8 -1,-0.1 0.280 52.8 -99.9 -99.2 11.4 -2.3 1.4 4.1 60 63 A G S S+ 0 0 14 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.305 118.0 54.5 90.8 -10.2 0.2 -1.5 4.2 61 64 A H S S- 0 0 54 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.545 124.5 -30.6-124.0 -25.5 -0.8 -2.7 7.7 62 65 A A S S- 0 0 3 -5,-0.1 -3,-1.9 165,-0.1 -1,-0.5 -0.881 70.7 -89.0-166.1-172.2 -4.6 -3.1 7.4 63 66 A F E -E 58 0B 0 29,-0.3 2,-0.5 -2,-0.3 29,-0.5 -0.992 34.8-153.1-115.9 137.2 -7.5 -1.5 5.4 64 67 A N E -E 57 0B 21 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.7 -0.919 9.3-153.0-108.2 129.3 -9.3 1.5 6.7 65 68 A V E -EG 56 90B 0 25,-2.7 25,-1.9 -2,-0.5 2,-0.3 -0.914 30.1-152.4 -92.5 116.6 -12.9 2.5 5.8 66 69 A E E -EG 55 89B 46 -11,-2.8 -12,-3.1 -2,-0.7 -11,-1.1 -0.685 10.8-160.3-100.1 146.6 -12.8 6.3 6.2 67 70 A F E -E 53 0B 9 21,-2.6 2,-0.7 -2,-0.3 -14,-0.2 -0.813 31.3 -98.6-121.7 159.1 -15.6 8.6 7.2 68 71 A D + 0 0 34 -16,-2.7 -16,-0.3 -2,-0.3 3,-0.2 -0.688 42.3 170.6 -74.0 109.8 -16.4 12.3 6.9 69 72 A D + 0 0 40 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 -0.007 47.2 102.6-112.8 28.9 -15.6 13.5 10.4 70 73 A S S S+ 0 0 84 56,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.380 90.3 26.7 -91.8 0.3 -15.9 17.3 9.6 71 74 A Q S S- 0 0 117 -3,-0.2 2,-1.3 3,-0.1 3,-0.4 -0.960 100.2 -86.6-148.0 164.7 -19.3 17.3 11.4 72 75 A D S S+ 0 0 92 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.622 75.8 128.3 -73.1 93.6 -21.1 15.3 14.1 73 76 A K S S+ 0 0 46 -2,-1.3 -23,-0.8 1,-0.3 2,-0.4 0.627 72.2 21.2-118.8 -37.0 -22.5 12.6 11.9 74 77 A A S S+ 0 0 5 -3,-0.4 13,-2.9 -24,-0.2 2,-0.4 -0.917 82.9 169.8-139.8 107.1 -21.5 9.3 13.5 75 78 A V E -DH 47 86B 14 -28,-2.0 -28,-2.9 -2,-0.4 2,-0.4 -0.936 29.9-149.3-131.7 150.9 -20.7 9.6 17.1 76 79 A L E +DH 46 85B 0 9,-2.9 9,-2.2 -2,-0.4 2,-0.3 -0.946 31.3 152.8-114.2 134.1 -20.0 7.6 20.2 77 80 A K E +D 45 0B 72 -32,-2.2 -32,-2.6 -2,-0.4 7,-0.1 -0.902 35.4 36.1-146.6 175.8 -21.0 8.9 23.6 78 81 A G E > S+D 44 0B 19 5,-0.5 3,-2.4 3,-0.3 -34,-0.3 -0.319 72.3 85.2 72.5-155.5 -21.9 7.6 27.0 79 82 A G T 3 S- 0 0 6 -36,-1.5 -37,-1.1 1,-0.3 -1,-0.1 -0.382 121.2 -23.0 56.0-132.0 -20.4 4.5 28.6 80 83 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.496 116.7 110.0 -82.6 -2.5 -17.2 5.6 30.3 81 84 A L < - 0 0 12 -3,-2.4 2,-0.5 -39,-0.1 -3,-0.3 -0.492 55.1-155.1 -85.9 143.9 -16.9 8.6 28.1 82 85 A D - 0 0 129 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.956 69.3 -5.8-104.6 126.7 -17.3 12.3 28.8 83 86 A G S S- 0 0 47 -2,-0.5 -5,-0.5 38,-0.1 2,-0.4 -0.390 97.9 -43.7 87.8-162.7 -18.3 14.2 25.7 84 87 A T - 0 0 34 -7,-0.1 38,-2.7 -2,-0.1 2,-0.5 -0.884 40.1-163.8-123.2 128.2 -18.6 13.3 22.1 85 88 A Y E -HI 76 121B 5 -9,-2.2 -9,-2.9 -2,-0.4 2,-0.4 -0.973 13.4-143.1-118.0 128.7 -16.4 11.2 20.0 86 89 A R E -HI 75 120B 44 34,-2.6 34,-2.1 -2,-0.5 2,-0.3 -0.726 18.9-118.3 -95.2 134.3 -16.6 11.3 16.1 87 90 A L E + I 0 119B 2 -13,-2.9 32,-0.3 -2,-0.4 -13,-0.1 -0.501 37.3 166.1 -68.0 124.7 -16.1 8.2 14.0 88 91 A I E - 0 0 33 30,-2.7 -21,-2.6 1,-0.4 2,-0.3 0.738 60.1 -24.5-107.9 -37.2 -13.1 8.7 11.7 89 92 A Q E -GI 66 118B 31 29,-1.2 29,-2.9 -23,-0.2 -1,-0.4 -0.982 47.9-143.4-166.6 157.3 -12.4 5.2 10.4 90 93 A F E +GI 65 117B 0 -25,-1.9 -25,-2.7 -2,-0.3 2,-0.3 -0.965 23.6 161.4-125.7 158.8 -12.7 1.5 11.0 91 94 A H E - I 0 116B 21 25,-1.9 25,-3.1 -2,-0.3 2,-0.3 -0.931 23.3-127.6-157.1 174.9 -10.4 -1.4 10.3 92 95 A F E - I 0 115B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.882 0.7-148.1-127.6 163.6 -9.7 -5.0 11.3 93 96 A H E + I 0 114B 4 21,-2.0 21,-2.2 -2,-0.3 2,-0.3 -0.973 31.2 170.0-124.3 140.7 -6.9 -7.2 12.5 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.2 19,-0.2 145,-1.0 -0.942 23.1-117.7-152.0 168.4 -6.9 -10.8 11.5 95 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.455 23.2-121.9-103.4 174.2 -5.0 -14.1 11.4 96 99 A S S S+ 0 0 44 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.574 105.6 34.9 -83.0 -14.1 -3.5 -16.6 9.0 97 100 A L S > S- 0 0 104 3,-0.3 3,-1.8 15,-0.1 -2,-0.2 -0.961 89.5-113.8-139.8 151.7 -5.7 -19.2 10.7 98 101 A D T 3 S+ 0 0 76 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.753 110.3 67.6 -62.5 -22.7 -9.2 -19.0 12.3 99 102 A G T 3 S+ 0 0 56 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.392 107.0 31.2 -79.4 4.5 -7.6 -19.7 15.8 100 103 A Q < + 0 0 50 -3,-1.8 -5,-0.6 12,-0.1 -3,-0.3 -0.973 65.3 96.4-153.8 162.9 -5.8 -16.3 15.9 101 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.009 54.7 107.0 143.8 -29.8 -6.1 -12.8 14.7 102 105 A S - 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