==== 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) 20-OCT-93 1CIL . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.M.SMITH,R.S.ALEXANDER,D.W.CHRISTIANSON,B.M.MCKEEVER, . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 65.6 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 . 57 22.3 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 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 14.5 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 . 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 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 4 A H 0 0 179 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.6 10.2 0.2 9.0 2 5 A W + 0 0 44 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.199 360.0 128.5 -72.2 153.3 7.6 -1.4 11.2 3 6 A G - 0 0 8 5,-2.3 10,-0.1 2,-0.2 -1,-0.1 -0.765 63.8 -84.9-163.6-150.8 5.4 -4.3 10.4 4 7 A Y S S+ 0 0 33 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.277 82.8 104.2-122.9 8.7 4.4 -7.8 11.7 5 8 A G S >> S- 0 0 37 4,-0.1 4,-1.6 1,-0.1 3,-0.6 -0.309 87.0 -91.0 -84.2 178.6 7.2 -10.0 10.4 6 9 A K T 34 S+ 0 0 163 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.839 123.2 41.6 -56.3 -38.2 10.1 -11.6 12.3 7 10 A H T 34 S+ 0 0 156 1,-0.2 -1,-0.2 4,-0.0 -5,-0.0 0.691 130.4 21.5 -88.6 -15.9 12.5 -8.7 11.6 8 11 A N T <4 S+ 0 0 57 -3,-0.6 -5,-2.3 -6,-0.0 -2,-0.2 0.239 95.7 119.6-135.5 12.9 10.2 -5.7 12.1 9 12 A G S >X S- 0 0 0 -4,-1.6 3,-2.8 -5,-0.2 4,-0.7 0.053 81.6 -67.0 -80.8-172.1 7.3 -7.1 14.2 10 13 A P G >4 S+ 0 0 22 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.725 126.0 60.7 -51.7 -32.5 6.0 -6.2 17.7 11 14 A E G 34 S+ 0 0 109 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.682 108.6 45.0 -71.4 -17.4 9.0 -7.4 19.6 12 15 A H G X> S+ 0 0 50 -3,-2.8 3,-1.8 1,-0.1 4,-0.5 0.620 85.8 91.7 -96.6 -16.7 11.1 -4.8 17.8 13 16 A W H XX S+ 0 0 6 -4,-0.7 4,-2.6 -3,-0.6 3,-0.9 0.802 72.7 69.0 -59.9 -29.1 8.8 -1.8 18.0 14 17 A H H 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.750 88.7 65.6 -61.3 -22.9 10.3 -0.4 21.3 15 18 A K H <4 S+ 0 0 134 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.894 117.2 24.8 -70.0 -37.6 13.6 0.5 19.5 16 19 A D H << S+ 0 0 110 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.730 135.5 34.6 -93.5 -23.9 11.8 3.1 17.4 17 20 A F >< - 0 0 51 -4,-2.6 3,-2.6 1,-0.1 -1,-0.2 -0.762 64.9-175.2-131.7 82.2 8.9 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 0.741 77.6 76.3 -53.0 -22.9 10.1 3.5 23.4 19 22 A I G > S+ 0 0 58 1,-0.3 3,-2.7 179,-0.2 -5,-0.1 0.721 70.8 88.8 -64.9 -10.2 6.5 4.1 24.6 20 23 A A G < S+ 0 0 7 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.761 90.5 45.6 -54.6 -24.2 6.0 0.4 23.6 21 24 A K G < S+ 0 0 141 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.1 0.024 95.2 129.0-104.9 25.0 7.1 -0.5 27.1 22 25 A G S < S- 0 0 15 -3,-2.7 3,-0.5 1,-0.1 -3,-0.0 0.016 71.8-100.7 -76.1-173.7 4.9 2.2 28.7 23 26 A E S S+ 0 0 119 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.524 111.7 36.9 -87.5 -13.5 2.4 2.0 31.6 24 27 A R S S+ 0 0 49 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.290 78.5 154.7-138.6 57.0 -0.9 1.9 29.6 25 28 A Q - 0 0 3 -3,-0.5 220,-0.1 221,-0.3 170,-0.1 -0.467 32.3-103.8 -84.3 150.9 -0.2 -0.2 26.6 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.921 76.9 43.7-124.3 157.2 -2.8 -2.2 24.6 27 30 A P + 0 0 0 0, 0.0 218,-3.0 0, 0.0 2,-0.3 0.552 65.4 176.3 -80.2 176.6 -4.1 -4.8 23.8 28 31 A V - 0 0 2 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.905 35.9-102.5-133.2 164.7 -4.5 -6.7 27.2 29 32 A D E -a 105 0A 36 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.767 32.5-139.7 -81.9 133.9 -6.0 -9.9 28.2 30 33 A I E -a 106 0A 0 75,-2.8 77,-2.6 -2,-0.4 2,-0.9 -0.864 11.2-159.5 -94.8 108.5 -9.4 -9.4 29.9 31 34 A D >> - 0 0 65 -2,-0.8 3,-1.8 75,-0.2 4,-1.3 -0.811 4.2-158.0 -86.0 113.5 -9.7 -11.7 32.9 32 35 A T T 34 S+ 0 0 48 -2,-0.9 -1,-0.1 1,-0.3 222,-0.0 0.716 87.4 56.5 -70.3 -20.3 -13.5 -11.9 33.4 33 36 A H T 34 S+ 0 0 161 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.444 112.8 41.3 -87.9 -4.8 -13.2 -13.0 37.0 34 37 A T T <4 S+ 0 0 99 -3,-1.8 -2,-0.2 2,-0.1 218,-0.2 0.517 87.1 104.8-115.6 -13.8 -11.1 -9.9 37.9 35 38 A A S < S- 0 0 21 -4,-1.3 2,-0.6 216,-0.1 218,-0.2 -0.431 71.3-128.0 -65.8 140.3 -12.9 -7.2 35.9 36 39 A K E -c 253 0B 122 216,-2.5 218,-2.8 -2,-0.1 2,-0.3 -0.842 7.9-132.3 -97.8 122.3 -15.0 -5.1 38.3 37 40 A Y E -c 254 0B 118 -2,-0.6 218,-0.2 216,-0.2 151,-0.0 -0.585 25.7-161.8 -64.4 126.9 -18.7 -4.5 37.5 38 41 A D > - 0 0 32 216,-2.5 3,-2.1 -2,-0.3 -1,-0.1 -0.890 14.7-165.6-119.3 105.9 -19.1 -0.7 37.9 39 42 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.650 86.2 68.4 -60.8 -20.6 -22.8 0.4 38.4 40 43 A S T 3 S+ 0 0 85 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.630 75.2 107.5 -69.5 -16.7 -21.8 4.1 37.6 41 44 A L < - 0 0 32 -3,-2.1 3,-0.1 213,-0.2 38,-0.0 -0.556 64.3-144.7 -74.1 122.2 -21.1 3.1 34.0 42 45 A K - 0 0 125 37,-0.8 39,-0.1 -2,-0.4 3,-0.1 -0.329 26.9 -89.7 -77.3 160.9 -23.7 4.5 31.7 43 46 A P - 0 0 112 0, 0.0 36,-1.8 0, 0.0 2,-0.1 -0.409 47.5-104.8 -64.7 150.2 -25.0 2.7 28.5 44 47 A L E -D 78 0B 17 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.504 26.5-150.3 -69.7 149.4 -23.2 3.3 25.3 45 48 A S E -D 77 0B 52 32,-2.6 32,-2.3 -2,-0.1 2,-0.6 -0.970 14.3-175.8-124.4 112.1 -24.9 5.7 22.9 46 49 A V E -D 76 0B 33 -2,-0.5 2,-0.8 30,-0.2 30,-0.2 -0.930 2.4-177.7-109.0 110.4 -24.0 4.8 19.3 47 50 A S E +D 75 0B 39 28,-3.0 28,-2.2 -2,-0.6 3,-0.1 -0.817 25.2 141.7-116.8 92.3 -25.5 7.3 16.8 48 51 A Y > + 0 0 2 -2,-0.8 3,-1.6 26,-0.2 130,-0.2 0.286 34.1 104.0-112.9 9.2 -24.5 6.1 13.4 49 52 A D T 3 S+ 0 0 88 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.869 86.6 46.5 -65.6 -28.7 -27.6 6.8 11.3 50 53 A Q T 3 S+ 0 0 115 23,-0.6 -1,-0.3 -3,-0.1 24,-0.2 0.303 81.9 141.4 -92.7 10.6 -26.0 9.9 9.6 51 54 A A < - 0 0 22 -3,-1.6 2,-0.5 22,-0.2 18,-0.1 -0.178 34.6-162.2 -55.5 135.7 -22.7 8.2 8.9 52 55 A T - 0 0 53 16,-0.3 16,-2.8 122,-0.1 2,-0.2 -0.909 5.0-163.4-119.9 103.6 -21.1 9.2 5.5 53 56 A S E +E 67 0B 0 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.565 12.0 174.7 -81.8 152.4 -18.4 6.7 4.4 54 57 A L E + 0 0 78 12,-3.0 118,-2.7 1,-0.4 2,-0.3 0.720 50.6 0.9-121.5 -44.3 -16.0 8.0 1.7 55 58 A R E -EF 66 171B 87 11,-1.0 11,-2.9 116,-0.3 -1,-0.4 -0.958 45.2-141.3-155.2 153.5 -13.2 5.6 0.9 56 59 A I E -EF 65 170B 0 114,-2.3 114,-2.2 -2,-0.3 2,-0.4 -0.985 29.0-174.1-122.9 139.5 -11.5 2.3 1.6 57 60 A L E -EF 64 169B 31 7,-2.3 7,-2.5 -2,-0.4 2,-0.8 -0.994 28.0-143.8-140.0 136.3 -7.8 2.1 1.6 58 61 A N E +E 63 0B 0 110,-2.7 109,-2.7 -2,-0.4 5,-0.2 -0.869 21.8 179.3 -94.6 112.2 -5.0 -0.5 1.9 59 62 A N - 0 0 50 3,-1.7 4,-0.1 -2,-0.8 -1,-0.1 0.252 52.8-102.1-100.6 13.3 -2.3 1.3 4.0 60 63 A G S S+ 0 0 4 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.416 116.9 59.0 84.4 -4.4 0.1 -1.7 4.1 61 64 A H S S- 0 0 43 1,-0.6 2,-0.2 -58,-0.1 -1,-0.1 0.588 124.3 -34.9-121.7 -30.2 -0.8 -2.6 7.7 62 65 A A S S- 0 0 6 -5,-0.1 -3,-1.7 31,-0.1 -1,-0.6 -0.854 71.6 -89.9-167.4-169.3 -4.6 -3.2 7.4 63 66 A F E -E 58 0B 0 -2,-0.2 29,-0.5 29,-0.2 2,-0.4 -0.975 37.4-155.1-119.6 141.3 -7.4 -1.7 5.3 64 67 A N E -EG 57 91B 18 -7,-2.5 -7,-2.3 -2,-0.4 2,-0.6 -0.939 11.3-149.9-115.0 139.1 -9.4 1.3 6.6 65 68 A V E -EG 56 90B 0 25,-2.6 25,-1.8 -2,-0.4 2,-0.3 -0.958 28.2-149.2-102.5 123.1 -12.9 2.5 5.7 66 69 A E E -EG 55 89B 47 -11,-2.9 -12,-3.0 -2,-0.6 -11,-1.0 -0.752 9.7-158.2 -99.3 144.0 -12.8 6.3 6.2 67 70 A F E -E 53 0B 8 21,-2.6 2,-0.8 -2,-0.3 -14,-0.2 -0.818 29.0-104.7-116.6 152.4 -15.7 8.5 7.2 68 71 A D + 0 0 44 -16,-2.8 -16,-0.3 -2,-0.3 3,-0.2 -0.690 40.0 172.1 -73.5 116.9 -16.5 12.2 6.8 69 72 A D + 0 0 42 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.114 41.6 112.5-116.6 32.2 -15.8 13.6 10.3 70 73 A S S S+ 0 0 75 2,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.586 88.5 16.7 -78.7 -12.8 -16.2 17.3 9.4 71 74 A Q S S- 0 0 127 -3,-0.2 2,-2.3 3,-0.0 3,-0.4 -0.926 103.0 -79.2-148.6 166.0 -19.4 17.5 11.5 72 75 A D S S+ 0 0 88 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.424 76.6 131.5 -71.9 72.4 -21.1 15.4 14.2 73 76 A K S S+ 0 0 53 -2,-2.3 -23,-0.6 1,-0.3 2,-0.5 0.919 73.5 20.8 -91.0 -54.6 -22.5 12.8 11.7 74 77 A A S S+ 0 0 6 -3,-0.4 13,-2.6 -6,-0.2 -1,-0.3 -0.979 85.1 168.3-119.1 113.9 -21.6 9.5 13.3 75 78 A V E -DH 47 86B 8 -28,-2.2 -28,-3.0 -2,-0.5 2,-0.4 -0.913 30.7-147.5-132.3 159.5 -20.8 9.8 17.1 76 79 A L E +DH 46 85B 0 9,-2.4 9,-2.1 -2,-0.3 2,-0.3 -0.981 29.4 157.3-122.2 132.2 -20.2 7.8 20.2 77 80 A K E +D 45 0B 81 -32,-2.3 -32,-2.6 -2,-0.4 7,-0.1 -0.880 36.6 35.3-142.4 175.5 -21.2 9.1 23.6 78 81 A G E > S+D 44 0B 21 5,-0.3 3,-2.4 -2,-0.3 -34,-0.3 -0.329 71.6 83.4 76.9-157.1 -22.1 7.7 27.0 79 82 A G T 3 S- 0 0 2 -36,-1.8 -37,-0.8 1,-0.3 -1,-0.1 -0.339 120.3 -23.5 55.3-133.0 -20.5 4.7 28.7 80 83 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.384 115.6 108.4 -81.9 0.7 -17.2 5.8 30.4 81 84 A L < - 0 0 13 -3,-2.4 2,-0.5 -39,-0.1 -3,-0.3 -0.548 54.2-156.6 -90.2 148.5 -16.9 8.9 28.0 82 85 A D + 0 0 128 -2,-0.2 2,-0.1 53,-0.1 -3,-0.0 -0.978 68.4 3.4-111.0 128.3 -17.3 12.6 28.7 83 86 A G S S- 0 0 45 -2,-0.5 2,-0.4 38,-0.1 -5,-0.3 -0.349 97.2 -51.7 96.5-178.5 -18.2 14.4 25.6 84 87 A T - 0 0 29 -7,-0.1 38,-2.3 -2,-0.1 2,-0.5 -0.867 41.1-163.1-109.4 131.9 -18.8 13.5 22.0 85 88 A Y E -HI 76 121B 4 -9,-2.1 -9,-2.4 -2,-0.4 2,-0.4 -0.971 13.0-143.2-116.5 125.9 -16.4 11.4 20.0 86 89 A R E -HI 75 120B 44 34,-2.4 34,-2.1 -2,-0.5 2,-0.3 -0.759 17.6-119.5 -92.4 136.7 -16.7 11.4 16.1 87 90 A L E + I 0 119B 2 -13,-2.6 32,-0.2 -2,-0.4 -13,-0.2 -0.492 37.8 165.0 -68.6 130.0 -16.2 8.3 14.1 88 91 A I E - 0 0 32 30,-2.6 -21,-2.6 1,-0.4 2,-0.3 0.680 59.0 -19.3-115.3 -34.8 -13.3 8.7 11.6 89 92 A Q E -GI 66 118B 36 29,-1.2 29,-2.8 -23,-0.2 -1,-0.4 -0.989 47.5-146.6-163.5 159.6 -12.4 5.2 10.4 90 93 A F E +GI 65 117B 0 -25,-1.8 -25,-2.6 -2,-0.3 2,-0.3 -0.983 20.9 165.2-133.0 155.6 -12.7 1.5 11.1 91 94 A H E -GI 64 116B 24 25,-1.8 25,-3.1 -2,-0.3 2,-0.3 -0.924 23.0-127.3-154.1 171.8 -10.3 -1.4 10.4 92 95 A F E - 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