==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 09-SEP-02 1MOO . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.M.DUDA,L.GOVINDASAMY,M.AGBANDJE-MCKENNA,C.K.TU, . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 21.9 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 . 23 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.5 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 . 1 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 5 A W 0 0 130 0, 0.0 2,-0.2 0, 0.0 7,-0.2 0.000 360.0 360.0 360.0 151.7 7.9 -1.5 11.3 2 6 A G - 0 0 11 5,-2.5 10,-0.1 2,-0.1 58,-0.1 -0.741 360.0 -82.2-165.6-149.2 5.7 -4.5 10.5 3 7 A Y S S+ 0 0 38 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.174 84.7 103.6-125.2 9.6 4.5 -7.9 11.7 4 8 A G S > S- 0 0 41 4,-0.1 4,-1.7 1,-0.0 3,-0.4 -0.203 86.7 -92.1 -89.5-179.7 7.5 -10.1 10.6 5 9 A K T 4 S+ 0 0 187 1,-0.2 5,-0.1 2,-0.2 -1,-0.0 0.843 122.9 37.8 -57.7 -39.4 10.4 -11.6 12.5 6 10 A H T 4 S+ 0 0 161 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.534 132.2 22.7 -99.2 -7.7 12.8 -8.7 12.0 7 11 A N T 4 S+ 0 0 70 -3,-0.4 -5,-2.5 -6,-0.1 -2,-0.2 0.310 94.4 113.1-139.8 12.8 10.4 -5.8 12.3 8 12 A G S >X S- 0 0 2 -4,-1.7 3,-2.7 -7,-0.2 4,-0.8 0.092 85.1 -61.0 -83.4-169.0 7.4 -7.0 14.2 9 13 A P T 34 S+ 0 0 26 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.724 127.7 59.5 -49.0 -34.4 6.0 -6.2 17.7 10 14 A E T 34 S+ 0 0 146 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.641 110.2 45.1 -73.0 -8.4 9.1 -7.2 19.7 11 15 A H T X4 S+ 0 0 58 -3,-2.7 3,-1.9 1,-0.1 4,-0.5 0.621 86.9 89.2-101.5 -16.0 11.2 -4.7 17.7 12 16 A W G >X S+ 0 0 5 -4,-0.8 4,-2.2 -3,-0.5 3,-0.7 0.776 73.2 70.2 -59.0 -31.3 8.8 -1.7 17.9 13 17 A H G 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.734 86.9 67.3 -59.1 -24.4 10.2 -0.3 21.1 14 18 A K G <4 S+ 0 0 135 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.922 116.9 23.3 -69.1 -40.3 13.5 0.7 19.4 15 19 A D T <4 S+ 0 0 129 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.697 136.7 36.2 -89.9 -21.5 11.8 3.4 17.3 16 20 A F >< - 0 0 52 -4,-2.2 3,-2.7 1,-0.1 -1,-0.2 -0.750 64.9-178.5-133.1 75.9 8.8 3.9 19.6 17 21 A P G > S+ 0 0 100 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.734 75.4 77.5 -58.2 -20.7 10.0 3.5 23.2 18 22 A I G > S+ 0 0 56 1,-0.3 3,-2.7 179,-0.2 5,-0.2 0.701 70.2 88.0 -61.1 -12.0 6.4 4.0 24.5 19 23 A A G < S+ 0 0 6 -3,-2.7 -1,-0.3 1,-0.3 -6,-0.1 0.745 91.5 45.1 -52.8 -26.7 5.9 0.4 23.4 20 24 A K G < S+ 0 0 139 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 -0.000 96.8 128.7-104.2 23.6 7.1 -0.5 26.9 21 25 A G S < S- 0 0 15 -3,-2.7 3,-0.5 1,-0.1 -3,-0.0 0.071 72.9 -97.7 -74.8-171.9 4.9 2.2 28.6 22 26 A E S S+ 0 0 119 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.532 113.2 31.7 -86.8 -12.2 2.4 2.2 31.4 23 27 A R S S+ 0 0 47 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.237 78.4 155.8-147.1 56.7 -0.8 1.9 29.4 24 28 A Q - 0 0 2 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.450 32.7 -99.9 -86.2 155.6 -0.2 -0.1 26.3 25 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.880 78.2 41.5-127.3 155.3 -2.8 -2.1 24.3 26 30 A P + 0 0 0 0, 0.0 218,-2.9 0, 0.0 2,-0.3 0.615 65.8 178.9 -78.6 179.8 -4.0 -4.6 23.6 27 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.920 35.5-101.4-136.9 159.6 -4.4 -6.5 26.9 28 32 A D E -a 104 0A 27 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.742 34.2-139.1 -76.7 131.7 -5.8 -9.8 28.1 29 33 A I E -a 105 0A 0 75,-2.8 77,-2.6 -2,-0.4 2,-0.9 -0.882 10.8-158.9 -96.5 102.6 -9.3 -9.3 29.6 30 34 A D >> - 0 0 70 -2,-0.8 4,-1.7 75,-0.2 3,-0.7 -0.795 5.0-161.3 -83.8 104.7 -9.4 -11.5 32.7 31 35 A T T 34 S+ 0 0 44 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.794 85.9 51.7 -67.9 -28.2 -13.2 -11.7 33.0 32 36 A H T 34 S+ 0 0 168 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.748 112.3 46.4 -82.8 -20.0 -13.1 -12.8 36.7 33 37 A T T <4 S+ 0 0 112 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.712 92.2 95.3 -92.1 -21.9 -10.8 -9.9 37.7 34 38 A A S < S- 0 0 19 -4,-1.7 2,-0.5 216,-0.1 218,-0.2 -0.371 70.2-139.1 -65.1 148.1 -12.8 -7.2 35.8 35 39 A K E -c 252 0B 133 216,-2.1 218,-2.7 221,-0.0 2,-0.1 -0.932 11.0-117.4-119.2 139.5 -15.3 -5.4 38.0 36 40 A Y E -c 253 0B 80 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.408 30.9-155.7 -60.4 134.1 -18.9 -4.3 37.3 37 41 A D > - 0 0 32 216,-2.3 3,-1.5 -2,-0.1 -1,-0.1 -0.915 16.6-171.0-120.8 101.2 -19.0 -0.5 37.5 38 42 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.594 83.0 72.3 -64.9 -9.7 -22.3 1.1 38.3 39 43 A S T 3 S+ 0 0 78 2,-0.1 2,-0.1 40,-0.0 215,-0.1 0.708 73.6 106.3 -78.6 -12.5 -20.9 4.5 37.5 40 44 A L < - 0 0 31 -3,-1.5 3,-0.1 213,-0.2 38,-0.0 -0.413 65.3-143.1 -71.8 136.2 -20.8 3.7 33.8 41 45 A K - 0 0 145 37,-1.5 37,-0.3 1,-0.1 39,-0.1 -0.530 38.8 -76.4 -87.3 160.1 -23.5 5.5 31.9 42 46 A P - 0 0 118 0, 0.0 36,-1.3 0, 0.0 2,-0.3 -0.366 52.1-115.0 -58.3 142.7 -25.3 3.7 29.0 43 47 A L E -D 77 0B 21 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.664 26.1-155.6 -78.6 135.1 -23.2 3.5 25.8 44 48 A S E -D 76 0B 41 32,-3.2 32,-2.3 -2,-0.3 2,-0.6 -0.956 12.6-178.1-118.3 113.9 -24.6 5.5 22.8 45 49 A V E -D 75 0B 32 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.950 6.9-179.2-111.8 102.5 -23.5 4.4 19.3 46 50 A S E +D 74 0B 37 28,-2.9 28,-2.0 -2,-0.6 3,-0.2 -0.829 22.9 141.9-114.0 93.3 -25.1 6.8 16.9 47 51 A Y > + 0 0 3 -2,-0.7 3,-1.7 26,-0.2 130,-0.2 0.271 33.2 106.9-114.8 7.6 -24.2 5.8 13.3 48 52 A D T 3 S+ 0 0 95 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.784 87.5 42.2 -66.6 -22.7 -27.3 6.4 11.3 49 53 A Q T 3 S+ 0 0 120 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.209 83.2 142.9-103.8 19.3 -25.8 9.5 9.6 50 54 A A < - 0 0 23 -3,-1.7 2,-0.5 1,-0.1 23,-0.1 -0.313 36.1-157.7 -58.4 138.9 -22.4 8.0 9.0 51 55 A T - 0 0 49 16,-0.3 16,-2.7 122,-0.1 2,-0.1 -0.897 5.4-164.1-122.3 99.2 -20.8 9.0 5.7 52 56 A S E +E 66 0B 1 -2,-0.5 121,-0.6 122,-0.4 14,-0.3 -0.453 11.7 174.3 -76.7 151.9 -18.2 6.5 4.5 53 57 A L E - 0 0 77 12,-3.1 118,-2.1 1,-0.4 2,-0.3 0.689 50.1 -6.8-123.6 -42.4 -15.9 7.8 1.8 54 58 A R E -EF 65 170B 80 11,-1.2 11,-2.9 116,-0.3 2,-0.4 -0.986 45.8-131.3-159.2 157.3 -13.2 5.4 0.9 55 59 A I E -EF 64 169B 0 114,-2.6 114,-2.2 -2,-0.3 2,-0.4 -0.985 28.0-171.9-124.1 136.3 -11.3 2.2 1.6 56 60 A L E -EF 63 168B 32 7,-2.4 7,-2.6 -2,-0.4 2,-0.8 -0.986 25.3-145.7-131.5 131.2 -7.5 2.2 1.8 57 61 A N E +E 62 0B 0 110,-2.9 109,-2.8 -2,-0.4 5,-0.2 -0.870 22.5 177.9 -89.6 111.3 -4.8 -0.5 2.1 58 62 A N - 0 0 54 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.291 52.7-103.2-100.8 12.3 -2.2 1.2 4.2 59 63 A G S S+ 0 0 16 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.272 117.0 58.1 87.2 -12.5 0.2 -1.8 4.4 60 64 A A S S- 0 0 12 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.639 124.0 -34.0-112.4 -34.5 -0.9 -2.7 7.9 61 65 A A S S- 0 0 4 -5,-0.1 -3,-2.0 31,-0.1 -1,-0.5 -0.844 70.4 -86.8-163.1-173.3 -4.6 -3.2 7.5 62 66 A F E -E 57 0B 0 -2,-0.3 2,-0.5 29,-0.2 29,-0.4 -0.979 38.5-153.1-114.0 137.4 -7.4 -1.8 5.3 63 67 A N E -E 56 0B 19 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.6 -0.918 10.0-152.7-112.3 129.6 -9.2 1.3 6.6 64 68 A V E -EG 55 89B 0 25,-2.8 25,-1.9 -2,-0.5 2,-0.3 -0.906 29.3-153.0 -91.8 116.2 -12.8 2.3 5.8 65 69 A E E -EG 54 88B 47 -11,-2.9 -12,-3.1 -2,-0.6 -11,-1.2 -0.735 9.3-157.7-101.9 147.1 -12.7 6.1 6.2 66 70 A F E -E 52 0B 9 21,-2.5 2,-0.8 -2,-0.3 -14,-0.2 -0.810 29.8-102.0-119.7 154.0 -15.5 8.5 7.1 67 71 A D + 0 0 38 -16,-2.7 -16,-0.3 -2,-0.3 3,-0.2 -0.746 40.1 172.4 -70.0 107.7 -16.3 12.1 6.7 68 72 A D + 0 0 43 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.106 46.3 107.0-109.7 27.0 -15.5 13.5 10.2 69 73 A S S S+ 0 0 86 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.550 88.5 22.8 -83.0 -8.6 -16.0 17.1 9.3 70 74 A Q S S- 0 0 117 -3,-0.2 2,-1.5 3,-0.0 3,-0.4 -0.947 99.8 -87.2-144.6 164.4 -19.4 17.3 11.2 71 75 A D S S+ 0 0 90 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.624 75.2 130.1 -77.5 96.8 -20.9 15.3 14.0 72 76 A K S S+ 0 0 45 -2,-1.5 -23,-0.8 1,-0.3 2,-0.4 0.596 71.4 23.6-120.0 -29.9 -22.5 12.5 11.8 73 77 A A S S+ 0 0 6 -3,-0.4 13,-2.7 -24,-0.2 -1,-0.3 -0.919 82.2 162.8-140.4 112.9 -21.4 9.3 13.4 74 78 A V E -DH 46 85B 11 -28,-2.0 -28,-2.9 -2,-0.4 2,-0.4 -0.934 34.0-142.5-139.2 157.0 -20.5 9.5 17.1 75 79 A L E +DH 45 84B 0 9,-2.6 9,-2.2 -2,-0.3 2,-0.3 -0.973 31.4 159.7-117.0 135.2 -19.9 7.5 20.3 76 80 A K E +D 44 0B 73 -32,-2.3 -32,-3.2 -2,-0.4 7,-0.1 -0.921 36.2 29.5-146.8 167.2 -21.0 8.9 23.6 77 81 A G E > S+D 43 0B 21 5,-0.5 3,-2.5 3,-0.3 -34,-0.3 -0.316 73.0 82.3 77.6-165.0 -21.8 7.7 27.1 78 82 A G T 3 S- 0 0 4 -36,-1.3 -37,-1.5 1,-0.3 -1,-0.1 -0.412 121.4 -19.3 63.3-129.4 -20.4 4.7 28.8 79 83 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.497 116.1 109.8 -83.8 -2.0 -17.0 5.7 30.3 80 84 A L < - 0 0 10 -3,-2.5 2,-0.6 -39,-0.1 -3,-0.3 -0.496 55.5-154.4 -88.9 143.1 -16.8 8.7 28.0 81 85 A D S S- 0 0 132 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.956 70.1 -11.5-104.6 120.2 -17.1 12.4 28.8 82 86 A G S S- 0 0 49 -2,-0.6 -5,-0.5 38,-0.1 2,-0.4 -0.432 99.1 -40.3 90.4-162.5 -18.3 14.2 25.7 83 87 A T - 0 0 35 -2,-0.1 38,-2.8 -7,-0.1 2,-0.5 -0.905 41.3-163.2-119.3 132.7 -18.6 13.3 22.1 84 88 A Y E -HI 75 120B 4 -9,-2.2 -9,-2.6 -2,-0.4 2,-0.4 -0.960 14.2-142.2-119.6 126.6 -16.3 11.2 20.0 85 89 A R E -HI 74 119B 36 34,-2.8 34,-2.2 -2,-0.5 2,-0.3 -0.726 17.2-118.7 -97.1 132.3 -16.4 11.2 16.2 86 90 A L E + I 0 118B 2 -13,-2.7 32,-0.3 -2,-0.4 -13,-0.1 -0.434 37.7 163.9 -66.3 126.7 -15.9 8.2 14.0 87 91 A I E - 0 0 36 30,-2.8 -21,-2.5 1,-0.4 2,-0.3 0.735 60.6 -22.2-110.8 -39.9 -12.9 8.6 11.6 88 92 A Q E -GI 65 117B 33 29,-1.2 29,-3.0 -23,-0.2 -1,-0.4 -0.983 47.6-145.5-162.9 159.1 -12.2 5.1 10.4 89 93 A F E +GI 64 116B 0 -25,-1.9 -25,-2.8 -2,-0.3 2,-0.3 -0.975 22.2 162.3-128.1 160.3 -12.5 1.4 11.1 90 94 A H E - I 0 115B 20 25,-1.8 25,-3.1 -2,-0.3 2,-0.3 -0.920 23.6-127.0-157.1 174.3 -10.2 -1.5 10.3 91 95 A F E - I 0 114B 0 -29,-0.4 2,-0.3 -2,-0.3 -29,-0.2 -0.844 1.4-149.5-124.7 162.5 -9.6 -5.1 11.4 92 96 A H E + I 0 113B 4 21,-1.9 21,-2.1 -2,-0.3 2,-0.3 -0.972 30.7 169.9-124.8 143.1 -6.8 -7.3 12.6 93 97 A W E - I 0 112B 0 -2,-0.3 146,-1.3 19,-0.2 145,-0.8 -0.940 23.4-116.6-152.3 168.6 -6.8 -10.9 11.7 94 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.6 3,-0.1 -0.428 25.6-118.2-102.8 172.4 -4.9 -14.2 11.6 95 99 A S S S+ 0 0 42 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.594 106.6 25.3 -80.4 -15.7 -3.5 -16.7 9.2 96 100 A L S > S- 0 0 114 3,-0.2 3,-1.5 15,-0.1 -2,-0.2 -0.939 91.1-106.1-140.8 161.2 -5.8 -19.3 10.7 97 101 A D T 3 S+ 0 0 65 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.734 110.0 72.7 -66.4 -22.9 -9.2 -19.0 12.6 98 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.395 105.9 24.3 -72.8 -1.2 -7.4 -19.8 15.9 99 103 A Q < + 0 0 59 -3,-1.5 -5,-0.6 12,-0.1 -3,-0.2 -0.966 66.1 100.2-156.3 164.6 -5.7 -16.4 16.2 100 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.006 53.4 108.5 142.4 -28.3 -6.0 -12.8 14.9 101 105 A S - 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