==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-APR-01 1IF8 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.A.GRZYBOWSKI,A.V.ISHCHENKO,C.-Y.KIM,G.TOPALOV,R.CHAPMAN, . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 65.5 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 . 57 22.1 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 . 26 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 14.3 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 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 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 3 A H 0 0 226 0, 0.0 8,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 75.5 13.0 -0.6 8.6 2 4 A H - 0 0 112 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.659 360.0 -81.9 67.2 125.3 9.4 0.5 9.3 3 5 A W + 0 0 36 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.036 55.9 151.4 -56.6 157.2 7.3 -1.8 11.4 4 6 A G - 0 0 11 5,-2.2 10,-0.1 2,-0.1 -1,-0.1 -0.815 53.2 -98.7-162.1-165.0 5.5 -5.0 10.5 5 7 A Y S S+ 0 0 37 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.129 80.0 111.6-119.5 20.3 4.3 -8.3 11.8 6 8 A G S >> S- 0 0 35 4,-0.1 4,-1.6 1,-0.1 3,-0.8 -0.303 86.1 -93.8 -89.1 176.2 7.2 -10.4 10.5 7 9 A K T 34 S+ 0 0 170 1,-0.2 -1,-0.1 2,-0.2 3,-0.1 0.882 123.3 41.4 -55.5 -36.5 10.0 -12.2 12.2 8 10 A H T 34 S+ 0 0 160 1,-0.2 -1,-0.2 5,-0.0 -3,-0.0 0.557 130.7 16.7 -94.9 -4.6 12.3 -9.2 11.7 9 11 A N T <4 S+ 0 0 54 -3,-0.8 -5,-2.2 -6,-0.0 -2,-0.2 0.148 94.0 125.0-150.7 14.2 10.1 -6.1 12.5 10 12 A G S >X S- 0 0 0 -4,-1.6 3,-2.4 -5,-0.2 4,-0.9 0.038 80.5 -65.2 -69.1-172.4 7.2 -7.6 14.3 11 13 A P G >4 S+ 0 0 22 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.784 127.7 59.1 -44.6 -46.4 5.8 -6.7 17.8 12 14 A E G 34 S+ 0 0 118 1,-0.2 3,-0.1 2,-0.1 4,-0.0 0.614 108.7 46.3 -65.9 -11.3 8.8 -7.8 19.8 13 15 A H G X4 S+ 0 0 54 -3,-2.4 3,-2.0 1,-0.1 4,-0.5 0.610 85.8 90.4-103.2 -16.4 11.0 -5.3 17.9 14 16 A W G XX S+ 0 0 7 -4,-0.9 4,-2.8 -3,-0.8 3,-0.9 0.809 74.0 68.8 -52.9 -32.5 8.7 -2.3 18.2 15 17 A H G 34 S+ 0 0 69 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.738 86.2 69.9 -59.5 -26.6 10.2 -1.1 21.5 16 18 A K G <4 S+ 0 0 132 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.929 117.5 19.3 -59.3 -42.8 13.5 -0.2 19.7 17 19 A D T <4 S+ 0 0 127 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.756 131.7 46.1 -97.7 -27.2 11.8 2.7 17.8 18 20 A F >< - 0 0 66 -4,-2.8 3,-2.0 1,-0.1 -1,-0.2 -0.808 63.6-176.8-120.2 87.2 8.8 3.2 20.1 19 21 A P G > S+ 0 0 105 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.751 76.5 73.1 -52.3 -27.8 10.0 3.2 23.7 20 22 A I G > S+ 0 0 57 1,-0.3 3,-2.4 179,-0.2 -5,-0.1 0.684 70.2 91.4 -67.8 -11.6 6.3 3.5 25.0 21 23 A A G < S+ 0 0 8 -3,-2.0 -1,-0.3 1,-0.3 -6,-0.1 0.667 89.0 45.2 -57.2 -18.5 5.8 -0.1 24.0 22 24 A K G < S+ 0 0 148 -3,-1.4 -1,-0.3 -7,-0.1 -2,-0.1 0.073 93.6 123.5-112.0 21.2 6.8 -1.2 27.5 23 25 A G S < S- 0 0 22 -3,-2.4 3,-0.4 1,-0.1 -3,-0.0 0.108 74.3 -94.7 -72.1-168.4 4.7 1.4 29.3 24 26 A E S S+ 0 0 106 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.621 112.1 37.9 -88.1 -20.8 2.0 1.2 32.0 25 27 A R S S+ 0 0 54 224,-0.1 2,-0.2 168,-0.1 -1,-0.2 -0.404 78.2 150.0-130.7 60.9 -1.2 1.2 29.9 26 28 A Q - 0 0 4 -3,-0.4 220,-0.1 221,-0.3 170,-0.1 -0.638 34.7-101.7 -93.2 149.3 -0.5 -0.8 26.8 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 78,-0.0 -0.890 76.5 43.7-121.9 162.1 -3.0 -2.9 24.9 28 30 A P + 0 0 0 0, 0.0 218,-3.6 0, 0.0 2,-0.3 0.532 63.9 176.2 -86.9 172.4 -4.3 -5.4 24.1 29 31 A V - 0 0 1 216,-0.3 77,-1.0 -2,-0.2 2,-0.4 -0.838 34.3-100.9-131.3 166.2 -4.8 -7.3 27.4 30 32 A D E -a 106 0A 34 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.756 31.2-134.6 -89.8 132.7 -6.4 -10.6 28.4 31 33 A I E -a 107 0A 0 75,-3.0 77,-2.6 -2,-0.4 2,-1.1 -0.810 15.0-164.5 -92.5 101.6 -9.8 -10.3 30.0 32 34 A D >> - 0 0 68 -2,-0.9 3,-1.7 75,-0.2 4,-1.0 -0.789 5.7-160.4 -85.6 100.3 -9.9 -12.5 33.1 33 35 A T T 34 S+ 0 0 50 -2,-1.1 -1,-0.2 1,-0.3 3,-0.1 0.743 85.3 57.0 -55.2 -27.1 -13.8 -12.7 33.6 34 36 A H T 34 S+ 0 0 167 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.579 111.0 41.4 -84.1 -9.4 -13.4 -13.8 37.3 35 37 A T T <4 S+ 0 0 99 -3,-1.7 2,-0.3 2,-0.1 -2,-0.2 0.502 85.8 109.5-113.5 -6.6 -11.4 -10.7 38.3 36 38 A A S < S- 0 0 21 -4,-1.0 2,-0.6 216,-0.1 218,-0.2 -0.530 70.6-127.2 -69.5 131.6 -13.3 -8.1 36.3 37 39 A K E -c 254 0B 116 216,-2.4 218,-2.1 -2,-0.3 2,-0.3 -0.724 9.4-130.2 -91.8 120.5 -15.2 -5.9 38.7 38 40 A Y E -c 255 0B 83 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.517 24.5-165.7 -64.7 123.0 -19.0 -5.4 38.2 39 41 A D > - 0 0 26 216,-2.5 3,-1.2 -2,-0.3 -1,-0.1 -0.945 10.1-168.3-116.7 107.5 -19.4 -1.6 38.4 40 42 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.558 82.5 65.1 -70.3 -10.2 -23.2 -0.8 38.9 41 43 A S T 3 S+ 0 0 87 2,-0.1 2,-0.1 0, 0.0 215,-0.1 0.434 72.5 110.7 -92.9 -5.0 -22.6 2.9 38.1 42 44 A L < - 0 0 35 -3,-1.2 3,-0.1 213,-0.2 213,-0.0 -0.496 65.7-132.0 -68.5 142.6 -21.5 2.4 34.5 43 45 A K - 0 0 128 37,-1.0 39,-0.1 -2,-0.1 2,-0.1 -0.497 26.6 -89.3 -94.7 162.5 -24.1 3.8 32.0 44 46 A P - 0 0 113 0, 0.0 36,-1.6 0, 0.0 -1,-0.1 -0.446 50.3-104.5 -68.7 149.1 -25.5 2.1 29.0 45 47 A L E -D 79 0B 18 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.465 27.4-146.8 -69.0 152.7 -23.5 2.7 25.8 46 48 A S E -D 78 0B 47 32,-2.8 32,-2.4 -2,-0.1 2,-0.6 -0.905 17.6-179.3-126.4 99.3 -25.0 5.1 23.2 47 49 A V E +D 77 0B 36 -2,-0.5 2,-0.5 30,-0.2 30,-0.2 -0.890 3.1 176.5-103.2 116.1 -24.2 4.3 19.6 48 50 A S E +D 76 0B 45 28,-2.2 28,-1.9 -2,-0.6 3,-0.2 -0.785 20.1 144.7-125.8 89.9 -25.7 6.7 17.0 49 51 A Y > + 0 0 4 -2,-0.5 3,-1.2 26,-0.2 130,-0.2 0.066 33.4 112.8-109.3 20.5 -24.6 5.8 13.5 50 52 A D T 3 S+ 0 0 92 1,-0.2 -1,-0.1 127,-0.1 25,-0.1 0.692 83.7 39.7 -71.8 -17.3 -27.8 6.8 11.6 51 53 A Q T 3 S+ 0 0 132 23,-0.9 -1,-0.2 -3,-0.2 2,-0.2 0.123 84.4 150.0-115.7 24.7 -26.2 9.6 9.7 52 54 A A < - 0 0 22 -3,-1.2 2,-0.7 22,-0.2 18,-0.1 -0.359 31.4-158.6 -64.8 125.0 -22.9 7.8 9.0 53 55 A T - 0 0 52 16,-0.4 16,-2.4 -2,-0.2 2,-0.2 -0.870 4.4-164.7-108.7 102.3 -21.0 8.8 5.8 54 56 A S E +E 68 0B 1 -2,-0.7 121,-0.6 14,-0.2 14,-0.2 -0.623 10.6 175.8 -83.1 146.5 -18.5 6.2 4.6 55 57 A L E - 0 0 78 12,-2.8 118,-2.9 1,-0.4 2,-0.3 0.736 49.6 -19.8-117.0 -53.9 -16.1 7.6 2.0 56 58 A R E -EF 67 172B 88 11,-0.9 11,-3.2 116,-0.3 -1,-0.4 -0.994 42.5-132.2-159.1 165.9 -13.5 5.0 1.0 57 59 A I E +EF 66 171B 0 114,-2.6 114,-2.3 -2,-0.3 2,-0.3 -0.929 29.0 176.7-121.7 140.2 -11.6 1.8 1.7 58 60 A L E -EF 65 170B 27 7,-1.8 7,-2.1 -2,-0.4 2,-0.6 -0.999 32.2-129.9-149.7 150.3 -7.9 1.4 1.5 59 61 A N E +E 64 0B 0 110,-2.4 109,-2.3 -2,-0.3 5,-0.2 -0.855 22.8 179.5 -97.4 118.2 -5.0 -1.1 2.0 60 62 A N - 0 0 54 3,-2.0 4,-0.1 -2,-0.6 -1,-0.1 0.199 55.3 -99.7-103.6 10.8 -2.3 0.7 4.1 61 63 A G S S+ 0 0 6 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.353 117.1 57.5 89.3 -7.1 0.0 -2.3 4.3 62 64 A H S S- 0 0 32 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.603 123.3 -36.7-120.5 -31.9 -1.0 -3.4 7.8 63 65 A A S S- 0 0 7 -5,-0.1 -3,-2.0 164,-0.1 -1,-0.6 -0.872 70.2 -84.4-170.5-170.6 -4.7 -3.9 7.4 64 66 A F E -E 59 0B 1 -2,-0.3 29,-0.6 -5,-0.2 2,-0.4 -0.958 36.8-160.2-119.4 137.5 -7.6 -2.3 5.4 65 67 A N E -EG 58 92B 20 -7,-2.1 -7,-1.8 -2,-0.4 2,-0.6 -0.963 12.1-152.6-118.7 136.4 -9.5 0.8 6.8 66 68 A V E -EG 57 91B 0 25,-2.0 25,-1.5 -2,-0.4 2,-0.3 -0.947 27.3-151.3-103.5 122.7 -12.9 2.1 5.8 67 69 A E E -EG 56 90B 56 -11,-3.2 -12,-2.8 -2,-0.6 -11,-0.9 -0.716 8.4-156.8 -98.5 152.5 -12.9 5.8 6.4 68 70 A F E -E 54 0B 10 21,-2.3 2,-0.7 -2,-0.3 -14,-0.2 -0.819 28.7-102.7-123.9 159.2 -15.8 8.1 7.3 69 71 A D + 0 0 45 -16,-2.4 -16,-0.4 -2,-0.3 5,-0.2 -0.760 40.6 170.5 -81.6 114.6 -16.5 11.8 7.0 70 72 A D + 0 0 41 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 -0.128 41.2 112.0-116.8 33.1 -15.9 13.2 10.5 71 73 A S S S+ 0 0 80 56,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.741 88.0 21.3 -76.9 -25.1 -16.1 16.9 9.7 72 74 A Q S S- 0 0 121 -3,-0.2 2,-2.4 3,-0.0 3,-0.4 -0.886 102.8 -82.6-135.0 167.0 -19.4 17.2 11.7 73 75 A D S S+ 0 0 92 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.414 75.0 132.1 -72.3 72.6 -21.2 15.1 14.4 74 76 A K S S+ 0 0 49 -2,-2.4 -23,-0.9 1,-0.3 2,-0.5 0.875 72.4 21.0 -91.8 -43.8 -22.7 12.5 12.0 75 77 A A S S+ 0 0 8 -3,-0.4 13,-2.4 13,-0.2 -1,-0.3 -0.963 81.4 165.6-129.3 113.7 -21.8 9.2 13.8 76 78 A V E -DH 48 87B 16 -28,-1.9 -28,-2.2 -2,-0.5 2,-0.4 -0.755 31.6-141.3-129.2 171.9 -20.9 9.3 17.5 77 79 A L E +DH 47 86B 0 9,-2.0 9,-1.8 -2,-0.2 2,-0.3 -0.999 30.3 161.6-130.3 132.0 -20.4 7.2 20.6 78 80 A K E +D 46 0B 88 -32,-2.4 -32,-2.8 -2,-0.4 7,-0.1 -0.831 36.5 29.2-140.3 175.4 -21.7 8.4 24.0 79 81 A G E > S+D 45 0B 20 -2,-0.3 3,-2.0 5,-0.2 -34,-0.3 -0.170 72.2 84.4 71.6-160.2 -22.4 7.0 27.4 80 82 A G T 3 S- 0 0 0 -36,-1.6 -37,-1.0 1,-0.3 -1,-0.1 -0.431 119.5 -25.7 62.5-129.8 -20.9 4.0 29.0 81 83 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.429 112.8 116.1 -93.6 -0.6 -17.6 5.0 30.7 82 84 A L < - 0 0 13 -3,-2.0 2,-0.5 -39,-0.1 -3,-0.2 -0.364 52.7-154.7 -77.0 151.6 -17.2 8.0 28.3 83 85 A D - 0 0 125 53,-0.1 2,-0.2 -2,-0.1 -1,-0.0 -0.942 66.0 -8.4-124.2 107.1 -17.2 11.7 29.1 84 86 A G S S- 0 0 37 -2,-0.5 2,-0.5 39,-0.1 -5,-0.2 -0.562 99.0 -44.4 103.4-173.6 -18.2 13.8 26.2 85 87 A T - 0 0 31 -2,-0.2 38,-3.1 -7,-0.1 2,-0.4 -0.865 45.3-162.4-106.5 130.0 -18.8 13.1 22.5 86 88 A Y E -HI 77 122B 3 -9,-1.8 -9,-2.0 -2,-0.5 2,-0.4 -0.938 11.7-142.2-110.9 132.0 -16.6 10.9 20.4 87 89 A R E -HI 76 121B 41 34,-2.6 34,-2.0 -2,-0.4 2,-0.3 -0.811 16.7-122.6 -97.7 131.6 -16.7 10.9 16.5 88 90 A L E + I 0 120B 3 -13,-2.4 32,-0.2 -2,-0.4 -13,-0.2 -0.524 37.4 164.4 -70.1 126.9 -16.3 7.8 14.4 89 91 A I E - 0 0 33 30,-2.7 -21,-2.3 1,-0.4 2,-0.3 0.698 58.6 -20.1-115.9 -34.8 -13.4 8.3 12.0 90 92 A Q E -GI 67 119B 41 29,-1.2 29,-2.7 -23,-0.2 -1,-0.4 -0.983 47.5-145.4-168.2 160.2 -12.5 4.7 10.8 91 93 A F E +GI 66 118B 1 -25,-1.5 -25,-2.0 -2,-0.3 2,-0.3 -0.971 21.7 166.5-134.2 150.7 -12.9 1.0 11.4 92 94 A H E -GI 65 117B 28 25,-1.7 25,-3.1 -2,-0.3 2,-0.3 -0.951 22.7-124.4-152.7 169.3 -10.5 -1.9 10.7 93 95 A F E - 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