==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE (OXO-ACID) 03-APR-95 1CNK . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.A.LESBURG,D.W.CHRISTIANSON . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 63.0 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 21.8 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 . 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 . 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 4 A H 0 0 217 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.5 9.5 0.4 8.8 2 5 A W + 0 0 55 2,-0.0 2,-0.2 11,-0.0 7,-0.2 -0.406 360.0 141.5 -76.8 160.4 7.5 -1.5 11.4 3 6 A G - 0 0 7 5,-2.9 10,-0.1 2,-0.2 58,-0.1 -0.828 60.6 -83.1-169.4-155.1 5.3 -4.4 10.5 4 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.245 83.5 108.0-118.9 11.9 4.3 -7.8 11.7 5 8 A G S > S- 0 0 34 1,-0.1 4,-1.5 4,-0.1 3,-0.3 -0.233 84.5-100.6 -82.0 175.9 7.2 -9.9 10.5 6 9 A K T 4 S+ 0 0 126 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.860 122.4 43.8 -67.1 -31.2 10.0 -11.5 12.6 7 10 A H T 4 S+ 0 0 172 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.682 130.8 19.6 -90.4 -12.9 12.4 -8.7 11.7 8 11 A N T 4 S+ 0 0 59 -3,-0.3 -5,-2.9 -6,-0.0 -2,-0.2 0.184 97.6 120.6-139.1 16.2 10.1 -5.7 12.1 9 12 A G S >X S- 0 0 0 -4,-1.5 3,-3.5 -7,-0.2 4,-0.7 -0.169 81.4 -70.3 -81.6 178.8 7.2 -7.0 14.3 10 13 A P T 34 S+ 0 0 20 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.623 126.2 61.4 -35.7 -39.2 5.8 -6.1 17.7 11 14 A E T 34 S+ 0 0 100 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.642 108.9 43.1 -70.0 -17.3 8.8 -7.3 19.6 12 15 A H T X4 S+ 0 0 46 -3,-3.5 3,-2.1 1,-0.1 4,-0.4 0.654 87.2 91.0-100.4 -21.6 11.0 -4.8 17.8 13 16 A W G >X S+ 0 0 5 -4,-0.7 4,-2.7 1,-0.3 3,-1.3 0.758 72.7 70.5 -48.1 -34.8 8.7 -1.7 18.0 14 17 A H G 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.779 87.5 66.5 -56.9 -27.8 10.2 -0.5 21.3 15 18 A K G <4 S+ 0 0 133 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.830 117.8 22.2 -67.5 -29.5 13.4 0.5 19.5 16 19 A D T <4 S+ 0 0 128 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.669 134.7 39.4-105.7 -22.4 11.7 3.2 17.5 17 20 A F >< - 0 0 58 -4,-2.7 3,-2.5 1,-0.1 -1,-0.2 -0.755 63.6-178.0-132.5 84.0 8.7 3.7 19.9 18 21 A P G > S+ 0 0 101 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.752 78.0 74.1 -50.3 -34.7 9.9 3.5 23.5 19 22 A I G > S+ 0 0 58 1,-0.3 3,-3.2 2,-0.2 5,-0.2 0.674 71.4 89.7 -59.4 -13.9 6.3 4.0 24.7 20 23 A A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.817 91.1 44.7 -50.2 -34.2 5.8 0.3 23.6 21 24 A K G < S+ 0 0 138 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.062 94.3 132.0 -99.5 23.5 6.9 -0.6 27.1 22 25 A G S < S- 0 0 17 -3,-3.2 3,-0.4 1,-0.1 -3,-0.0 0.034 70.1-107.8 -66.9-175.9 4.7 2.1 28.7 23 26 A E S S+ 0 0 101 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.482 111.6 44.8 -93.8 -5.6 2.3 1.7 31.6 24 27 A R S S+ 0 0 43 -5,-0.2 -1,-0.2 224,-0.1 2,-0.1 -0.212 79.5 150.2-132.8 41.7 -1.0 2.0 29.6 25 28 A Q - 0 0 3 -3,-0.4 220,-0.2 221,-0.3 170,-0.1 -0.441 34.4-103.8 -83.9 150.3 -0.4 -0.3 26.5 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.1 -2,-0.0 -0.893 75.6 39.2-122.1 158.5 -2.9 -2.2 24.6 27 30 A P + 0 0 0 0, 0.0 218,-3.0 0, 0.0 2,-0.3 0.601 64.1 175.4 -85.3-178.9 -4.2 -4.8 23.9 28 31 A V - 0 0 1 216,-0.3 77,-1.1 -2,-0.2 2,-0.4 -0.880 36.4-100.7-138.4 166.8 -4.6 -6.7 27.2 29 32 A D E -a 105 0A 41 216,-0.4 2,-0.7 -2,-0.3 77,-0.2 -0.782 34.0-137.2 -89.7 135.0 -6.1 -10.0 28.2 30 33 A I E -a 106 0A 1 75,-3.4 77,-3.1 -2,-0.4 2,-1.0 -0.877 10.7-158.1 -97.0 110.4 -9.5 -9.5 29.9 31 34 A D >> - 0 0 62 -2,-0.7 3,-1.9 75,-0.2 4,-1.5 -0.814 4.5-158.7 -88.1 103.6 -9.8 -11.8 32.9 32 35 A T T 34 S+ 0 0 45 -2,-1.0 -1,-0.1 1,-0.3 74,-0.0 0.667 87.9 53.0 -57.4 -20.5 -13.6 -12.0 33.3 33 36 A H T 34 S+ 0 0 168 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.557 112.4 42.8 -93.8 -10.6 -13.3 -12.9 37.0 34 37 A T T <4 S+ 0 0 99 -3,-1.9 2,-0.3 2,-0.1 218,-0.2 0.548 87.0 107.9-107.7 -12.1 -11.1 -10.0 37.9 35 38 A A S < S- 0 0 20 -4,-1.5 2,-0.5 216,-0.1 218,-0.2 -0.507 72.0-127.5 -70.0 126.2 -13.0 -7.4 35.9 36 39 A K E -c 253 0B 107 216,-1.9 218,-2.8 -2,-0.3 2,-0.3 -0.631 11.7-131.4 -80.8 119.0 -14.9 -5.2 38.4 37 40 A Y E -c 254 0B 89 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.580 24.5-162.7 -68.4 128.3 -18.6 -4.8 37.7 38 41 A D > - 0 0 29 216,-2.7 3,-1.6 -2,-0.3 -1,-0.1 -0.891 14.4-170.6-120.0 103.7 -19.3 -1.0 37.9 39 42 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.552 82.0 67.7 -69.4 -7.6 -22.9 -0.0 38.3 40 43 A S T 3 S+ 0 0 84 2,-0.1 2,-0.2 40,-0.0 215,-0.1 0.545 72.8 108.7 -88.7 -6.6 -22.2 3.7 37.7 41 44 A L < - 0 0 32 -3,-1.6 3,-0.1 213,-0.2 38,-0.0 -0.524 65.8-139.2 -70.5 132.8 -21.3 3.0 34.0 42 45 A K - 0 0 137 37,-1.1 39,-0.1 -2,-0.2 -2,-0.1 -0.485 29.8 -87.8 -87.7 162.2 -24.0 4.5 31.8 43 46 A P - 0 0 107 0, 0.0 36,-1.9 0, 0.0 -1,-0.1 -0.366 47.6-106.3 -67.3 151.7 -25.2 2.6 28.7 44 47 A L E -D 78 0B 16 34,-0.3 2,-0.4 141,-0.2 34,-0.2 -0.508 27.2-152.0 -73.1 155.4 -23.3 3.3 25.5 45 48 A S E -D 77 0B 57 32,-2.6 32,-2.4 -2,-0.1 2,-0.6 -0.963 12.5-175.1-132.6 106.2 -25.0 5.5 23.0 46 49 A V E -D 76 0B 33 -2,-0.4 2,-0.7 30,-0.2 30,-0.2 -0.938 1.2-175.1-106.6 110.0 -23.9 4.7 19.4 47 50 A S E +D 75 0B 44 28,-2.9 28,-1.8 -2,-0.6 3,-0.3 -0.751 24.3 145.3-109.8 87.3 -25.5 7.2 16.9 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.1 26,-0.2 130,-0.3 0.150 33.9 107.6-108.3 19.8 -24.5 6.0 13.4 49 52 A D T 3 S+ 0 0 101 1,-0.2 -1,-0.2 24,-0.1 25,-0.1 0.809 86.1 39.2 -69.8 -27.9 -27.6 6.9 11.4 50 53 A Q T 3 S+ 0 0 135 23,-0.9 -1,-0.2 -3,-0.3 24,-0.2 0.110 84.2 145.0-109.0 25.7 -26.1 9.9 9.6 51 54 A A < - 0 0 22 -3,-1.1 2,-0.5 22,-0.2 18,-0.1 -0.326 34.1-158.3 -65.5 137.8 -22.7 8.3 9.0 52 55 A T - 0 0 57 16,-0.4 16,-3.0 122,-0.1 2,-0.2 -0.872 3.8-163.3-122.8 97.6 -21.0 9.2 5.8 53 56 A S E -E 67 0B 2 -2,-0.5 121,-0.6 122,-0.4 14,-0.3 -0.541 7.8-178.2 -76.9 147.8 -18.3 6.7 4.6 54 57 A L E - 0 0 78 12,-3.2 118,-3.0 1,-0.4 2,-0.3 0.777 50.8 -24.9-109.8 -58.2 -15.9 8.1 2.0 55 58 A R E -EF 66 171B 87 11,-0.8 11,-2.7 116,-0.3 -1,-0.4 -0.925 46.4-121.2-154.5 175.1 -13.4 5.5 0.9 56 59 A I E -EF 65 170B 0 114,-2.4 114,-2.1 -2,-0.3 2,-0.4 -0.975 29.7-170.3-125.4 137.6 -11.5 2.3 1.8 57 60 A L E -EF 64 169B 33 7,-2.5 7,-2.5 -2,-0.4 2,-0.8 -0.994 23.8-143.9-139.0 135.1 -7.6 2.2 1.8 58 61 A N E +E 63 0B 0 110,-2.7 109,-3.1 -2,-0.4 5,-0.2 -0.868 21.8 179.6 -93.5 113.3 -5.0 -0.5 2.0 59 62 A N - 0 0 50 3,-2.2 4,-0.1 -2,-0.8 -1,-0.1 0.202 52.7 -99.7-101.9 14.7 -2.2 1.2 4.1 60 63 A G S S+ 0 0 8 2,-0.4 3,-0.1 166,-0.3 106,-0.1 0.338 118.6 53.5 85.4 -8.2 0.2 -1.7 4.2 61 64 A H S S- 0 0 50 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.569 125.2 -31.6-125.6 -27.7 -0.8 -2.8 7.7 62 65 A A - 0 0 6 -5,-0.1 -3,-2.2 165,-0.1 -1,-0.6 -0.886 69.6 -91.0-171.3-173.4 -4.6 -3.1 7.4 63 66 A F E -E 58 0B 0 -2,-0.3 29,-0.5 29,-0.3 2,-0.4 -0.986 35.4-156.3-121.4 130.5 -7.4 -1.5 5.4 64 67 A N E -E 57 0B 22 -7,-2.5 -7,-2.5 -2,-0.4 2,-0.6 -0.899 9.5-150.9-107.3 141.1 -9.2 1.5 6.8 65 68 A V E -EG 56 90B 0 25,-2.5 25,-1.8 -2,-0.4 2,-0.3 -0.961 26.3-149.3-106.3 122.6 -12.7 2.6 5.8 66 69 A E E -EG 55 89B 44 -11,-2.7 -12,-3.2 -2,-0.6 -11,-0.8 -0.778 9.9-159.4 -98.3 146.3 -12.7 6.4 6.3 67 70 A F E -E 53 0B 7 21,-2.5 2,-0.7 -2,-0.3 -14,-0.2 -0.831 30.6-102.1-121.9 155.5 -15.7 8.5 7.3 68 71 A D + 0 0 52 -16,-3.0 -16,-0.4 -2,-0.3 3,-0.3 -0.688 38.9 175.3 -77.8 111.7 -16.4 12.2 6.9 69 72 A D + 0 0 41 -2,-0.7 -1,-0.1 1,-0.2 17,-0.1 -0.137 44.4 111.6-110.0 34.8 -15.8 13.6 10.4 70 73 A S S S+ 0 0 70 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.581 87.9 17.8 -79.7 -13.0 -16.3 17.3 9.6 71 74 A Q S S- 0 0 126 -3,-0.3 2,-2.5 3,-0.0 3,-0.5 -0.971 97.6 -82.4-151.9 166.8 -19.5 17.2 11.7 72 75 A D S S+ 0 0 82 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.380 76.9 125.9 -72.3 67.5 -21.2 15.2 14.4 73 76 A K S S+ 0 0 32 -2,-2.5 -23,-0.9 1,-0.3 2,-0.6 0.874 75.7 25.8 -91.4 -50.6 -22.8 12.7 12.0 74 77 A A S S+ 0 0 6 -3,-0.5 13,-2.7 -6,-0.2 -1,-0.3 -0.961 85.5 167.0-117.1 106.3 -21.6 9.4 13.5 75 78 A V E -DH 47 86B 11 -28,-1.8 -28,-2.9 -2,-0.6 2,-0.4 -0.881 26.7-154.4-125.1 159.0 -21.0 9.8 17.2 76 79 A L E +DH 46 85B 0 9,-2.7 9,-2.3 -2,-0.3 2,-0.3 -0.981 28.4 146.6-127.9 134.9 -20.4 7.7 20.3 77 80 A K E +D 45 0B 72 -32,-2.4 -32,-2.6 -2,-0.4 2,-0.1 -0.923 31.4 49.5-153.9-176.4 -21.1 8.8 23.8 78 81 A G E > S+D 44 0B 24 5,-0.4 3,-2.3 3,-0.3 -34,-0.3 -0.445 71.7 82.3 79.6-152.7 -22.3 7.6 27.2 79 82 A G T 3 S- 0 0 7 -36,-1.9 -37,-1.1 1,-0.3 -1,-0.1 -0.303 121.0 -24.5 54.6-132.4 -20.6 4.6 28.8 80 83 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.405 115.0 111.7 -89.8 1.3 -17.4 5.7 30.5 81 84 A L < - 0 0 17 -3,-2.3 2,-0.4 -39,-0.1 -3,-0.3 -0.502 53.4-157.1 -85.9 145.4 -17.1 8.7 28.2 82 85 A D - 0 0 132 -2,-0.2 2,-0.0 53,-0.1 -3,-0.0 -0.937 69.8 -0.4-111.6 132.8 -17.4 12.4 28.9 83 86 A G S S- 0 0 49 -2,-0.4 2,-0.4 38,-0.1 -5,-0.4 -0.250 99.6 -53.7 83.8-175.4 -18.3 14.4 25.8 84 87 A T - 0 0 28 -7,-0.1 38,-2.5 -9,-0.0 2,-0.5 -0.905 39.6-156.7-114.6 133.3 -18.9 13.2 22.3 85 88 A Y E -HI 76 121B 4 -9,-2.3 -9,-2.7 -2,-0.4 2,-0.4 -0.954 13.8-143.1-109.6 129.0 -16.5 11.2 20.2 86 89 A R E -HI 75 120B 40 34,-2.6 34,-2.2 -2,-0.5 2,-0.3 -0.734 18.5-116.7 -94.0 135.5 -16.8 11.4 16.4 87 90 A L E + I 0 119B 2 -13,-2.7 32,-0.2 -2,-0.4 -13,-0.2 -0.551 39.7 162.6 -72.5 127.3 -16.2 8.3 14.2 88 91 A I E - 0 0 25 30,-2.6 -21,-2.5 1,-0.4 2,-0.3 0.719 58.9 -22.1-114.6 -34.7 -13.2 8.8 11.9 89 92 A L E -GI 66 118B 28 29,-1.2 29,-2.8 -23,-0.2 -1,-0.4 -0.992 45.7-147.6-168.2 163.6 -12.4 5.2 10.7 90 93 A F E +GI 65 117B 0 -25,-1.8 -25,-2.5 -2,-0.3 2,-0.3 -0.965 20.5 163.8-138.4 153.4 -12.6 1.5 11.3 91 94 A H E - I 0 116B 28 25,-1.7 25,-3.0 -2,-0.3 2,-0.3 -0.933 24.0-124.3-155.9 175.2 -10.3 -1.4 10.4 92 95 A F E - I 0 115B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.851 1.8-152.4-130.0 159.7 -9.7 -5.0 11.4 93 96 A H E + I 0 114B 3 21,-1.4 21,-2.0 -2,-0.3 2,-0.3 -0.985 31.7 172.7-127.6 131.3 -6.8 -7.2 12.7 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.0 19,-0.2 145,-0.5 -0.900 22.9-117.3-141.5 172.1 -7.0 -10.8 11.6 95 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.5 3,-0.1 -0.515 21.1-125.0-108.2 175.5 -5.1 -14.1 11.7 96 99 A S S S+ 0 0 38 -2,-0.2 2,-0.3 142,-0.1 -1,-0.1 0.671 104.1 32.4 -86.0 -20.0 -3.7 -16.6 9.2 97 100 A L S > S- 0 0 110 3,-0.2 3,-1.3 15,-0.1 -2,-0.1 -0.909 90.8-109.6-131.6 160.9 -5.8 -19.2 11.0 98 101 A D T 3 S+ 0 0 72 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.686 110.1 63.4 -65.4 -23.6 -9.3 -19.1 12.6 99 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 46,-0.1 11,-0.3 0.312 107.5 39.5 -87.5 9.2 -8.0 -19.6 16.2 100 103 A Q < + 0 0 49 -3,-1.3 -5,-0.5 12,-0.1 -3,-0.2 -0.984 64.2 91.5-151.0 158.0 -6.0 -16.3 16.2 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.038 57.5 103.6 145.7 -33.4 -6.4 -12.8 15.0 102 105 A S - 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