==== 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 22-SEP-10 3OY0 . 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) . 11850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 63.8 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 . 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 . 24 9.3 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 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 0 186 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.4 10.0 0.5 8.9 2 5 A W + 0 0 30 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.276 360.0 132.9 -70.6 158.0 7.7 -1.3 11.4 3 6 A G - 0 0 11 5,-2.5 10,-0.1 2,-0.2 -1,-0.1 -0.769 63.6 -79.0-169.0-145.7 5.5 -4.1 10.4 4 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.158 83.1 107.9-128.8 15.5 4.4 -7.6 11.6 5 8 A G S >> S- 0 0 37 1,-0.1 4,-1.7 4,-0.1 3,-0.5 -0.311 84.7 -94.9 -89.7 178.0 7.3 -9.8 10.3 6 9 A K T 34 S+ 0 0 162 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.846 123.6 39.1 -60.8 -32.1 10.1 -11.5 12.2 7 10 A H T 34 S+ 0 0 155 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.585 130.9 22.7-101.6 -8.4 12.4 -8.6 11.7 8 11 A N T <4 S+ 0 0 57 -3,-0.5 -5,-2.5 -6,-0.1 -2,-0.2 0.261 96.2 117.4-138.5 16.0 10.2 -5.6 12.1 9 12 A G S >X S- 0 0 0 -4,-1.7 3,-2.9 -7,-0.2 4,-0.8 0.132 83.7 -64.7 -83.9-173.4 7.3 -7.0 14.2 10 13 A P T 34 S+ 0 0 30 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.728 127.8 60.2 -46.9 -36.4 5.9 -6.2 17.7 11 14 A E T 34 S+ 0 0 112 1,-0.2 -5,-0.0 2,-0.1 -2,-0.0 0.617 110.3 43.8 -67.4 -16.3 9.1 -7.4 19.5 12 15 A H T X> S+ 0 0 49 -3,-2.9 3,-1.8 1,-0.1 4,-0.5 0.586 87.1 89.1 -99.6 -19.9 11.0 -4.7 17.6 13 16 A W H >X S+ 0 0 5 -4,-0.8 4,-2.6 -3,-0.3 3,-1.0 0.808 74.0 69.4 -56.3 -33.4 8.7 -1.7 17.9 14 17 A H H 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.715 88.1 66.3 -61.1 -23.4 10.1 -0.4 21.2 15 18 A K H <4 S+ 0 0 133 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.900 117.4 23.8 -70.3 -36.8 13.4 0.6 19.5 16 19 A D H << S+ 0 0 123 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.738 136.3 36.2 -90.0 -27.0 11.7 3.3 17.5 17 20 A F >< - 0 0 54 -4,-2.6 3,-2.6 1,-0.1 -1,-0.2 -0.781 64.9-178.4-130.1 80.9 8.7 3.8 19.8 18 21 A P G > S+ 0 0 100 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.730 76.5 76.3 -60.1 -19.8 9.9 3.4 23.4 19 22 A I G > S+ 0 0 55 1,-0.3 3,-2.5 179,-0.2 -5,-0.1 0.638 70.0 89.1 -65.6 -11.4 6.3 3.9 24.7 20 23 A A G < S+ 0 0 6 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.744 91.4 44.6 -52.3 -27.4 5.8 0.3 23.5 21 24 A K G < S+ 0 0 137 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.022 96.2 128.6-105.7 24.6 7.0 -0.6 27.1 22 25 A G S < S- 0 0 14 -3,-2.5 3,-0.5 1,-0.1 -3,-0.0 0.076 72.8 -98.3 -78.2-172.9 4.8 2.1 28.7 23 26 A E S S+ 0 0 125 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.542 112.9 34.4 -87.4 -10.1 2.3 2.0 31.6 24 27 A R S S+ 0 0 47 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.258 78.5 155.8-145.2 54.1 -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 -0.471 31.9-100.9 -83.0 152.5 -0.3 -0.2 26.4 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.892 77.2 38.5-128.8 159.4 -2.8 -2.2 24.4 27 30 A P + 0 0 0 0, 0.0 218,-2.6 0, 0.0 2,-0.3 0.603 66.1 175.9 -76.8-179.7 -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 -0.925 36.6 -98.0-137.3 162.8 -4.5 -6.7 26.9 29 32 A D E -a 105 0A 27 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.725 33.4-139.6 -77.8 137.8 -6.0 -10.0 28.0 30 33 A I E -a 106 0A 0 75,-2.8 77,-2.6 -2,-0.4 2,-0.9 -0.873 10.5-159.1-102.6 102.2 -9.4 -9.5 29.5 31 34 A D >> - 0 0 67 -2,-0.8 4,-1.4 75,-0.2 3,-0.5 -0.785 5.1-161.0 -83.9 106.2 -9.6 -11.8 32.5 32 35 A T T 34 S+ 0 0 43 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.767 86.3 52.7 -68.4 -24.5 -13.4 -12.0 32.8 33 36 A H T 34 S+ 0 0 172 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.822 112.9 44.3 -81.6 -25.5 -13.3 -13.2 36.4 34 37 A T T <4 S+ 0 0 112 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.606 88.5 102.1 -92.5 -18.9 -11.1 -10.3 37.5 35 38 A A S < S- 0 0 18 -4,-1.4 2,-0.5 216,-0.1 218,-0.2 -0.472 70.5-132.3 -66.1 139.0 -12.9 -7.5 35.6 36 39 A K E -c 253 0B 134 216,-2.2 218,-2.6 -2,-0.1 2,-0.2 -0.836 7.7-125.3-102.5 126.9 -15.2 -5.5 38.0 37 40 A Y E -c 254 0B 87 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.441 22.9-160.0 -58.7 131.4 -18.8 -4.6 37.3 38 41 A D > - 0 0 42 216,-2.4 3,-2.5 -2,-0.2 -1,-0.1 -0.877 6.7-167.8-122.2 93.1 -19.1 -0.9 37.6 39 42 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.607 84.3 64.5 -63.8 -11.6 -22.8 -0.1 38.2 40 43 A S T 3 S+ 0 0 90 2,-0.1 2,-0.3 -3,-0.0 215,-0.1 0.490 74.9 109.6 -89.1 -7.5 -22.1 3.6 37.6 41 44 A L < - 0 0 31 -3,-2.5 3,-0.1 213,-0.2 38,-0.0 -0.556 66.5-135.2 -65.6 132.4 -21.0 3.0 33.9 42 45 A K - 0 0 139 37,-1.2 39,-0.1 -2,-0.3 3,-0.1 -0.397 28.1 -89.5 -81.7 159.5 -23.7 4.4 31.6 43 46 A P - 0 0 108 0, 0.0 36,-1.5 0, 0.0 -1,-0.1 -0.446 49.8-103.4 -64.8 149.7 -25.0 2.6 28.6 44 47 A L E -D 78 0B 15 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.429 27.6-147.9 -65.6 148.0 -23.0 3.2 25.4 45 48 A S E -D 77 0B 47 32,-2.7 32,-2.3 -2,-0.1 2,-0.7 -0.957 15.7-177.2-119.5 108.8 -24.6 5.5 22.9 46 49 A V E -D 76 0B 34 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.930 0.7-178.4-107.4 110.7 -23.7 4.6 19.4 47 50 A S E +D 75 0B 39 28,-2.8 28,-2.2 -2,-0.7 3,-0.2 -0.810 24.3 141.7-116.1 89.5 -25.2 7.1 17.0 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.9 26,-0.2 130,-0.2 0.296 33.9 107.0-112.0 8.5 -24.3 6.0 13.4 49 52 A D T 3 S+ 0 0 95 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.819 87.5 42.1 -62.8 -30.3 -27.6 6.9 11.5 50 53 A Q T 3 S+ 0 0 127 23,-0.9 -1,-0.3 -3,-0.2 24,-0.2 0.199 83.3 146.3-100.3 16.9 -25.9 9.9 9.8 51 54 A A < - 0 0 22 -3,-1.9 2,-0.5 1,-0.1 23,-0.1 -0.230 32.5-160.8 -58.3 138.8 -22.6 8.2 9.1 52 55 A T - 0 0 44 16,-0.3 16,-2.7 122,-0.1 2,-0.2 -0.893 5.2-165.6-124.6 95.8 -20.9 9.3 5.8 53 56 A S E +E 67 0B 1 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.507 11.3 173.4 -77.2 150.3 -18.3 6.8 4.6 54 57 A L E - 0 0 77 12,-3.0 118,-2.2 1,-0.4 2,-0.3 0.683 49.6 -3.7-122.2 -42.5 -16.0 8.1 1.9 55 58 A R E -EF 66 171B 84 11,-1.0 11,-2.9 116,-0.3 -1,-0.4 -0.978 46.4-136.5-159.5 153.2 -13.2 5.8 1.0 56 59 A I E -EF 65 170B 0 114,-2.4 114,-2.2 -2,-0.3 2,-0.4 -0.992 27.8-170.2-121.8 135.1 -11.4 2.5 1.7 57 60 A L E -EF 64 169B 33 7,-2.4 7,-2.5 -2,-0.4 2,-0.7 -0.983 24.5-146.2-131.6 130.1 -7.6 2.5 1.8 58 61 A N E -E 63 0B 0 110,-2.8 109,-2.9 -2,-0.4 5,-0.2 -0.872 21.6-179.7 -87.4 112.0 -5.0 -0.3 2.0 59 62 A N - 0 0 39 3,-2.0 4,-0.1 -2,-0.7 -1,-0.1 0.315 52.7-100.2 -99.2 9.0 -2.3 1.4 4.1 60 63 A G S S+ 0 0 14 2,-0.6 3,-0.1 166,-0.2 106,-0.1 0.328 117.6 54.0 92.7 -8.1 0.1 -1.5 4.1 61 64 A H S S- 0 0 53 1,-0.6 2,-0.3 -58,-0.1 166,-0.1 0.585 124.7 -28.6-123.6 -29.8 -0.8 -2.7 7.6 62 65 A A S S- 0 0 4 -5,-0.1 -3,-2.0 165,-0.1 -1,-0.6 -0.847 71.1 -91.2-160.0-169.7 -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 -0.991 34.3-152.7-116.5 140.1 -7.4 -1.5 5.3 64 67 A N E -E 57 0B 21 -7,-2.5 -7,-2.4 -2,-0.4 2,-0.7 -0.907 8.6-152.8-110.8 132.3 -9.2 1.6 6.7 65 68 A V E -EG 56 90B 0 25,-2.8 25,-1.8 -2,-0.5 2,-0.3 -0.913 29.8-151.6 -95.9 116.7 -12.8 2.5 5.9 66 69 A E E -EG 55 89B 46 -11,-2.9 -12,-3.0 -2,-0.7 -11,-1.0 -0.678 11.2-160.3 -99.9 149.4 -12.8 6.3 6.3 67 70 A F E -E 53 0B 8 21,-2.6 2,-0.8 -2,-0.3 -14,-0.2 -0.819 31.9 -98.5-123.3 158.4 -15.6 8.6 7.3 68 71 A D + 0 0 35 -16,-2.7 -16,-0.3 -2,-0.3 3,-0.3 -0.688 42.4 171.6 -74.2 110.2 -16.4 12.3 7.1 69 72 A D + 0 0 41 -2,-0.8 -1,-0.1 1,-0.1 17,-0.1 -0.015 47.9 101.7-111.1 27.0 -15.5 13.5 10.5 70 73 A S S S+ 0 0 83 56,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.400 90.6 24.8 -91.5 1.7 -15.9 17.2 9.8 71 74 A Q S S- 0 0 117 -3,-0.3 2,-1.5 3,-0.1 3,-0.4 -0.946 100.1 -86.1-150.3 165.0 -19.3 17.3 11.6 72 75 A D S S+ 0 0 91 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.616 75.8 129.5 -75.6 88.8 -21.0 15.2 14.3 73 76 A K S S+ 0 0 47 -2,-1.5 -23,-0.9 1,-0.4 2,-0.4 0.658 74.1 20.8-112.2 -37.5 -22.5 12.6 11.9 74 77 A A S S+ 0 0 5 -3,-0.4 13,-2.8 -24,-0.2 -1,-0.4 -0.941 84.0 168.9-137.7 110.1 -21.4 9.3 13.5 75 78 A V E -DH 47 86B 16 -28,-2.2 -28,-2.8 -2,-0.4 2,-0.4 -0.942 29.9-148.9-133.0 150.7 -20.6 9.6 17.2 76 79 A L E +DH 46 85B 0 9,-2.8 9,-2.2 -2,-0.3 2,-0.3 -0.959 30.5 155.5-115.3 135.3 -20.0 7.6 20.3 77 80 A K E +D 45 0B 88 -32,-2.3 -32,-2.7 -2,-0.4 7,-0.1 -0.889 35.9 32.9-145.4 174.8 -21.0 8.9 23.7 78 81 A G E > S+D 44 0B 19 5,-0.4 3,-2.2 -2,-0.3 -34,-0.3 -0.307 72.0 86.9 70.6-153.8 -21.9 7.6 27.1 79 82 A G T 3 S- 0 0 6 -36,-1.5 -37,-1.2 1,-0.3 -1,-0.1 -0.414 120.8 -23.3 54.8-131.4 -20.4 4.5 28.7 80 83 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.493 117.8 107.9 -80.1 -5.5 -17.1 5.6 30.4 81 84 A L < - 0 0 12 -3,-2.2 2,-0.5 -39,-0.1 -3,-0.3 -0.468 55.4-156.2 -85.8 146.3 -16.8 8.6 28.1 82 85 A D - 0 0 131 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.963 68.7 -2.2-107.7 128.6 -17.4 12.3 28.9 83 86 A G S S- 0 0 47 -2,-0.5 2,-0.4 38,-0.1 -5,-0.4 -0.295 97.6 -43.9 87.2-169.7 -18.2 14.2 25.8 84 87 A T - 0 0 30 -7,-0.1 38,-2.6 -2,-0.1 2,-0.5 -0.844 40.3-164.7-116.2 128.0 -18.6 13.4 22.1 85 88 A Y E -HI 76 121B 5 -9,-2.2 -9,-2.8 -2,-0.4 2,-0.4 -0.973 13.7-143.1-117.5 127.7 -16.3 11.2 20.0 86 89 A R E -HI 75 120B 46 34,-2.8 34,-2.0 -2,-0.5 2,-0.3 -0.716 17.9-118.7 -93.4 135.3 -16.5 11.3 16.2 87 90 A L E + I 0 119B 2 -13,-2.8 32,-0.3 -2,-0.4 -13,-0.1 -0.503 37.4 165.8 -68.5 124.7 -16.0 8.2 14.0 88 91 A I E - 0 0 32 30,-2.8 -21,-2.6 1,-0.4 2,-0.3 0.769 59.8 -25.5-109.3 -38.0 -13.0 8.7 11.7 89 92 A Q E -GI 66 118B 31 29,-1.2 29,-2.8 -23,-0.2 -1,-0.4 -0.981 47.6-143.3-164.9 160.6 -12.3 5.2 10.4 90 93 A F E +GI 65 117B 0 -25,-1.8 -25,-2.8 -2,-0.3 2,-0.3 -0.963 23.4 161.8-128.6 159.3 -12.7 1.5 11.1 91 94 A H E - I 0 116B 22 25,-1.8 25,-3.0 -2,-0.3 2,-0.3 -0.931 23.4-127.6-158.3 175.0 -10.3 -1.3 10.3 92 95 A F E - I 0 115B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.869 0.4-148.0-129.7 162.4 -9.6 -4.9 11.4 93 96 A H E + I 0 114B 3 21,-1.9 21,-2.1 -2,-0.3 2,-0.3 -0.980 31.1 171.9-122.9 140.4 -6.8 -7.1 12.6 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.1 19,-0.2 145,-0.8 -0.938 23.1-118.8-150.0 168.4 -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 -0.421 22.7-123.1-103.2 174.1 -5.0 -14.1 11.5 96 99 A S S S+ 0 0 43 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.526 105.2 35.7 -83.1 -16.1 -3.6 -16.5 9.0 97 100 A L S > S- 0 0 105 3,-0.3 3,-1.7 15,-0.1 -2,-0.2 -0.959 90.1-113.9-136.8 154.6 -5.7 -19.2 10.8 98 101 A D T 3 S+ 0 0 76 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.746 109.9 66.7 -66.3 -23.3 -9.1 -19.0 12.4 99 102 A G T 3 S+ 0 0 56 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.359 107.5 33.3 -78.8 5.3 -7.6 -19.6 15.8 100 103 A Q < + 0 0 50 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.3 -0.975 64.6 94.3-153.0 162.8 -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 0.026 55.8 108.1 141.9 -26.7 -6.0 -12.7 14.8 102 105 A S - 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