==== 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(OXO-ACID) 18-JUN-93 1MUA . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.K.NAIR,D.W.CHRISTIANSON . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.7 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 21.9 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 . 21 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.8 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 0 181 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.4 9.9 0.3 9.0 2 5 A W + 0 0 59 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.177 360.0 136.9 -64.2 154.1 7.7 -1.6 11.4 3 6 A G - 0 0 13 5,-2.5 10,-0.1 2,-0.1 -1,-0.1 -0.751 63.3 -84.3-166.9-150.7 5.5 -4.5 10.5 4 7 A Y S S+ 0 0 33 -2,-0.2 5,-0.2 5,-0.2 2,-0.1 -0.082 83.6 114.1-129.9 27.4 4.5 -7.9 11.8 5 8 A G S >> S- 0 0 23 4,-0.0 4,-1.6 1,-0.0 3,-0.5 -0.372 82.6 -94.6 -94.6 178.5 7.4 -9.9 10.5 6 9 A K T 34 S+ 0 0 161 1,-0.2 5,-0.1 2,-0.2 -1,-0.0 0.854 123.7 34.2 -58.1 -39.8 10.3 -11.7 12.1 7 10 A H T 34 S+ 0 0 159 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.434 132.0 27.0-101.9 -1.7 12.7 -8.7 11.8 8 11 A N T <4 S+ 0 0 59 -3,-0.5 -5,-2.5 -6,-0.0 -2,-0.2 0.158 90.9 123.2-147.6 17.0 10.2 -5.8 12.3 9 12 A G S >X S- 0 0 0 -4,-1.6 3,-2.7 -5,-0.2 4,-0.5 0.021 80.8 -71.3 -74.7-179.6 7.4 -7.3 14.4 10 13 A P G >4 S+ 0 0 25 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.691 126.2 63.6 -45.0 -38.6 5.9 -6.2 17.7 11 14 A E G 34 S+ 0 0 110 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.579 108.6 43.0 -66.0 -10.4 9.0 -7.4 19.7 12 15 A H G X4 S+ 0 0 48 -3,-2.7 3,-1.6 1,-0.1 4,-0.4 0.500 85.3 91.1-110.3 -12.0 11.1 -4.8 17.9 13 16 A W G XX S+ 0 0 6 -3,-0.7 4,-2.6 -4,-0.5 3,-1.0 0.755 73.1 71.9 -59.3 -28.7 8.7 -1.8 17.9 14 17 A H G 34 S+ 0 0 70 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.698 87.2 66.6 -57.6 -27.9 10.2 -0.5 21.3 15 18 A K G <4 S+ 0 0 131 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.877 116.7 22.1 -65.3 -39.6 13.4 0.5 19.4 16 19 A D T <4 S+ 0 0 119 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.2 0.699 135.0 39.8 -95.6 -25.2 11.7 3.3 17.4 17 20 A F >< - 0 0 48 -4,-2.6 3,-2.5 -5,-0.1 -1,-0.2 -0.797 64.5-177.3-130.9 80.6 8.8 3.8 19.7 18 21 A P G > S+ 0 0 103 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.711 78.8 74.2 -49.6 -29.2 10.0 3.6 23.4 19 22 A I G > + 0 0 58 1,-0.3 3,-2.3 179,-0.2 -5,-0.1 0.572 69.7 92.6 -67.9 -2.7 6.4 4.0 24.6 20 23 A A G < S+ 0 0 8 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.732 92.9 40.4 -60.2 -26.8 6.0 0.3 23.5 21 24 A K G < S+ 0 0 145 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.1 -0.110 95.8 129.1-115.3 32.9 6.9 -0.5 27.1 22 25 A G S X S- 0 0 17 -3,-2.3 3,-0.5 1,-0.0 -3,-0.0 0.022 72.2 -93.5 -72.1-174.7 4.9 2.3 28.7 23 26 A E T 3 S+ 0 0 112 1,-0.2 227,-0.2 169,-0.0 -1,-0.0 0.534 113.7 34.6 -82.0 -12.2 2.3 2.2 31.5 24 27 A R T 3 S+ 0 0 46 168,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.248 77.5 155.6-144.5 51.5 -0.9 1.9 29.5 25 28 A Q < - 0 0 4 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.461 32.2-103.6 -82.9 155.5 -0.3 -0.2 26.5 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.1 -2,-0.2 -2,-0.0 -0.848 75.8 43.1-127.7 156.5 -2.9 -2.2 24.6 27 30 A P + 0 0 0 0, 0.0 218,-2.9 0, 0.0 2,-0.3 0.619 64.6 176.2 -83.9 179.1 -4.1 -4.8 23.9 28 31 A V - 0 0 0 216,-0.3 77,-1.3 -2,-0.1 2,-0.5 -0.914 36.9 -98.5-135.3 169.5 -4.6 -6.8 27.2 29 32 A D E -a 105 0A 28 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.762 34.1-140.2 -88.9 129.2 -6.0 -10.0 28.4 30 33 A I E -a 106 0A 0 75,-2.6 77,-2.5 -2,-0.5 2,-0.8 -0.892 11.7-160.2 -94.6 106.4 -9.5 -9.4 29.9 31 34 A D >> - 0 0 64 -2,-0.8 3,-1.3 75,-0.2 4,-1.2 -0.839 3.3-159.7 -89.6 103.8 -9.7 -11.7 33.0 32 35 A T T 34 S+ 0 0 47 -2,-0.8 -1,-0.1 1,-0.3 222,-0.0 0.673 87.6 53.7 -60.7 -23.9 -13.5 -11.8 33.4 33 36 A H T 34 S+ 0 0 164 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.568 112.4 44.0 -87.0 -8.9 -13.2 -12.9 37.1 34 37 A T T <4 S+ 0 0 98 -3,-1.3 -2,-0.2 2,-0.1 218,-0.2 0.513 87.0 107.7-108.0 -16.8 -11.0 -9.9 37.9 35 38 A A S < S- 0 0 20 -4,-1.2 2,-0.6 216,-0.1 218,-0.2 -0.411 72.0-124.0 -61.3 142.7 -13.0 -7.3 36.0 36 39 A K E -c 253 0B 117 216,-3.2 218,-2.9 -2,-0.1 2,-0.5 -0.818 11.8-133.0 -98.7 123.4 -14.9 -5.0 38.4 37 40 A Y E -c 254 0B 127 -2,-0.6 218,-0.2 216,-0.2 216,-0.0 -0.590 25.5-164.5 -72.8 117.1 -18.6 -4.7 37.9 38 41 A D > - 0 0 25 216,-2.8 3,-1.5 -2,-0.5 -1,-0.1 -0.922 15.2-172.3-114.5 106.8 -19.2 -0.9 37.9 39 42 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.535 82.6 69.8 -72.5 -10.4 -22.9 0.1 38.4 40 43 A S T 3 S+ 0 0 76 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.503 75.1 111.9 -82.8 -10.9 -22.0 3.7 37.8 41 44 A L < - 0 0 32 -3,-1.5 3,-0.1 213,-0.2 38,-0.0 -0.564 60.9-144.0 -69.4 122.5 -21.4 2.8 34.2 42 45 A K - 0 0 128 37,-0.7 39,-0.1 -2,-0.4 3,-0.1 -0.484 27.6 -93.5 -86.2 155.1 -23.9 4.3 31.7 43 46 A P - 0 0 110 0, 0.0 36,-2.1 0, 0.0 2,-0.2 -0.304 46.7-103.4 -63.6 150.8 -25.1 2.5 28.6 44 47 A L E -D 78 0B 16 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.556 26.7-147.7 -74.2 151.0 -23.2 3.3 25.4 45 48 A S E -D 77 0B 45 32,-2.9 32,-2.2 -2,-0.2 2,-0.6 -0.964 14.8-174.6-125.1 107.0 -24.9 5.6 23.0 46 49 A V E -D 76 0B 35 -2,-0.5 2,-0.5 30,-0.2 30,-0.2 -0.914 3.5-179.1-105.6 118.3 -24.0 4.8 19.3 47 50 A S E +D 75 0B 37 28,-3.1 28,-2.4 -2,-0.6 3,-0.1 -0.850 26.5 137.9-120.4 89.8 -25.4 7.3 16.8 48 51 A Y > + 0 0 3 -2,-0.5 3,-1.7 26,-0.2 130,-0.2 0.232 33.9 106.5-114.5 6.8 -24.4 6.1 13.3 49 52 A D T 3 S+ 0 0 98 1,-0.3 25,-0.1 -3,-0.1 -1,-0.1 0.719 87.3 42.0 -60.9 -28.5 -27.6 6.8 11.3 50 53 A Q T 3 S+ 0 0 132 23,-0.9 -1,-0.3 -3,-0.1 24,-0.2 0.155 84.7 146.1-108.5 23.5 -26.1 9.8 9.5 51 54 A A < - 0 0 23 -3,-1.7 2,-0.4 22,-0.1 123,-0.1 -0.126 35.4-154.3 -58.8 144.1 -22.6 8.3 8.9 52 55 A T - 0 0 41 16,-0.3 16,-2.7 122,-0.1 2,-0.2 -0.854 5.7-163.8-128.6 96.3 -20.8 9.2 5.7 53 56 A S E +E 67 0B 2 -2,-0.4 121,-0.6 122,-0.3 14,-0.3 -0.525 11.2 175.1 -78.9 141.0 -18.3 6.7 4.4 54 57 A L E - 0 0 73 12,-3.1 118,-2.6 1,-0.4 2,-0.3 0.752 50.2 -24.6-113.7 -49.9 -15.8 8.0 1.8 55 58 A R E -EF 66 171B 82 11,-0.9 11,-2.7 116,-0.3 -1,-0.4 -0.969 41.6-125.2-162.2 175.0 -13.3 5.4 0.9 56 59 A I E -EF 65 170B 0 114,-2.4 114,-2.6 -2,-0.3 2,-0.3 -0.972 28.5-179.1-130.8 136.2 -11.3 2.3 1.6 57 60 A L E -EF 64 169B 30 7,-1.9 7,-2.6 -2,-0.4 2,-0.8 -0.998 29.7-134.1-142.2 143.1 -7.5 2.1 1.5 58 61 A N E -E 63 0B 0 110,-2.6 109,-3.1 -2,-0.3 5,-0.2 -0.894 22.6-177.6 -91.1 107.7 -4.8 -0.5 2.0 59 62 A N - 0 0 30 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.277 52.3-101.5 -92.2 5.9 -2.2 1.3 4.2 60 63 A G S S+ 0 0 11 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.303 117.3 50.5 89.6 -5.5 0.2 -1.7 4.2 61 64 A H S S- 0 0 50 1,-0.6 2,-0.3 -58,-0.1 166,-0.1 0.445 124.9 -18.9-128.4 -22.7 -0.7 -2.9 7.6 62 65 A A - 0 0 2 165,-0.1 -3,-2.0 31,-0.1 -1,-0.6 -0.878 70.0 -96.6-162.6-175.2 -4.5 -3.1 7.4 63 66 A F E -E 58 0B 0 -2,-0.3 2,-0.4 -5,-0.2 29,-0.4 -0.980 36.3-154.3-119.6 129.5 -7.4 -1.7 5.3 64 67 A N E -E 57 0B 21 -7,-2.6 -7,-1.9 -2,-0.4 2,-0.6 -0.925 9.3-153.8-107.4 135.9 -9.1 1.4 6.6 65 68 A V E -EG 56 90B 0 25,-2.4 25,-1.9 -2,-0.4 2,-0.3 -0.947 26.8-151.4-102.5 120.2 -12.7 2.5 5.9 66 69 A E E -EG 55 89B 48 -11,-2.7 -12,-3.1 -2,-0.6 -11,-0.9 -0.723 10.3-159.9-100.5 148.6 -12.7 6.3 6.3 67 70 A F E -E 53 0B 8 21,-2.2 2,-0.6 -2,-0.3 -14,-0.2 -0.828 31.1-102.6-127.4 153.7 -15.6 8.5 7.3 68 71 A D + 0 0 39 -16,-2.7 -16,-0.3 -2,-0.3 5,-0.2 -0.712 39.9 174.3 -76.9 116.1 -16.4 12.3 6.9 69 72 A D + 0 0 44 -2,-0.6 -1,-0.1 1,-0.1 17,-0.1 -0.015 46.5 106.8-117.2 30.8 -15.6 13.6 10.5 70 73 A S S S+ 0 0 81 2,-0.0 2,-0.3 56,-0.0 -1,-0.1 0.492 89.2 21.7 -83.6 -7.7 -16.1 17.3 9.7 71 74 A Q S S- 0 0 125 -3,-0.2 2,-2.5 3,-0.1 3,-0.4 -0.927 100.9 -82.9-148.7 164.8 -19.4 17.3 11.6 72 75 A D S S+ 0 0 88 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.411 76.9 130.9 -76.7 73.9 -21.1 15.2 14.3 73 76 A K S S+ 0 0 51 -2,-2.5 -23,-0.9 1,-0.3 2,-0.5 0.879 73.0 21.7 -90.7 -47.7 -22.4 12.6 11.8 74 77 A A S S+ 0 0 5 -3,-0.4 13,-3.0 13,-0.2 -1,-0.3 -0.954 85.4 169.8-126.4 107.4 -21.3 9.3 13.4 75 78 A V E -DH 47 86B 11 -28,-2.4 -28,-3.1 -2,-0.5 2,-0.4 -0.868 29.0-152.0-131.1 157.8 -20.8 9.6 17.2 76 79 A L E +DH 46 85B 0 9,-2.7 9,-2.2 -2,-0.3 2,-0.3 -0.993 28.5 152.0-119.4 133.0 -20.2 7.7 20.3 77 80 A K E +D 45 0B 70 -32,-2.2 -32,-2.9 -2,-0.4 7,-0.1 -0.860 35.7 38.1-152.3 175.6 -21.2 8.9 23.7 78 81 A G E > S+D 44 0B 25 5,-0.3 3,-2.1 -2,-0.3 -34,-0.3 -0.286 74.5 81.7 73.5-159.3 -22.2 7.6 27.2 79 82 A G T 3 S- 0 0 4 -36,-2.1 -37,-0.7 1,-0.3 -1,-0.1 -0.413 119.8 -21.6 58.5-137.1 -20.6 4.6 28.8 80 83 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.393 116.0 107.0 -80.2 -4.2 -17.3 5.6 30.4 81 84 A L < - 0 0 13 -3,-2.1 2,-0.5 -39,-0.1 -3,-0.2 -0.479 55.0-156.7 -87.9 153.6 -17.0 8.7 28.3 82 85 A D S S+ 0 0 130 -2,-0.2 2,-0.0 -5,-0.1 -3,-0.0 -0.987 70.4 1.3-119.2 126.0 -17.4 12.3 29.0 83 86 A G S S- 0 0 47 -2,-0.5 2,-0.4 38,-0.1 -5,-0.3 -0.101 97.1 -53.5 88.3-178.0 -18.2 14.3 25.8 84 87 A T - 0 0 35 -7,-0.1 38,-2.4 -9,-0.0 2,-0.4 -0.773 40.7-160.9-104.1 136.6 -18.8 13.3 22.2 85 88 A Y E -HI 76 121B 5 -9,-2.2 -9,-2.7 -2,-0.4 2,-0.4 -0.986 12.4-142.2-120.4 128.3 -16.4 11.3 20.1 86 89 A R E -HI 75 120B 43 34,-2.3 34,-1.9 -2,-0.4 2,-0.3 -0.788 18.6-118.3 -94.2 137.0 -16.6 11.3 16.2 87 90 A L E + I 0 119B 2 -13,-3.0 32,-0.3 -2,-0.4 -13,-0.2 -0.531 37.0 166.6 -71.8 131.8 -16.0 8.2 14.1 88 91 A I E - 0 0 37 30,-2.7 -21,-2.2 1,-0.4 2,-0.3 0.671 60.1 -20.8-113.0 -39.5 -13.0 8.7 11.8 89 92 A Q E -GI 66 118B 35 29,-1.3 29,-2.9 -23,-0.2 -1,-0.4 -0.978 47.7-144.4-164.7 161.1 -12.3 5.1 10.5 90 93 A F E +GI 65 117B 0 -25,-1.9 -25,-2.4 -2,-0.3 2,-0.3 -0.965 23.4 163.3-130.0 156.1 -12.7 1.4 11.2 91 94 A H E - I 0 116B 21 25,-1.7 25,-2.7 -2,-0.3 2,-0.3 -0.926 22.9-130.3-157.0 173.5 -10.2 -1.4 10.5 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.2 -0.865 1.7-147.2-130.6 161.3 -9.7 -5.0 11.4 93 96 A H E + I 0 114B 3 21,-1.7 21,-2.3 -2,-0.3 2,-0.3 -0.987 30.8 174.9-126.0 131.6 -6.9 -7.3 12.7 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.4 19,-0.2 145,-0.6 -0.913 20.2-125.5-140.5 164.7 -7.0 -10.9 11.5 95 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.6 3,-0.1 -0.540 25.3-116.9-108.3 173.8 -5.0 -14.1 11.7 96 99 A S S S+ 0 0 38 -2,-0.2 2,-0.3 142,-0.1 5,-0.1 0.656 105.7 30.3 -82.0 -18.9 -3.6 -16.6 9.3 97 100 A L S > S- 0 0 101 3,-0.2 3,-1.8 15,-0.1 -2,-0.2 -0.956 88.7-109.4-135.4 160.5 -5.9 -19.2 10.9 98 101 A D T 3 S+ 0 0 70 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.639 111.1 66.8 -64.5 -20.0 -9.3 -19.1 12.6 99 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.413 107.9 31.8 -85.1 2.1 -7.8 -19.7 16.0 100 103 A Q < + 0 0 56 -3,-1.8 -5,-0.6 12,-0.2 -3,-0.2 -0.958 64.7 94.7-154.8 159.6 -5.9 -16.3 16.1 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 -0.048 56.8 106.2 146.4 -33.6 -6.3 -12.8 14.9 102 105 A S - 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