==== 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) 06-FEB-89 1CA2 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.E.ERIKSSON,T.A.JONES,A.LILJAS . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.5 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 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 0 206 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.9 9.9 0.1 8.8 2 5 A W + 0 0 61 11,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.247 360.0 134.2 -61.1 152.7 7.7 -1.5 11.5 3 6 A G - 0 0 12 5,-2.3 10,-0.1 2,-0.2 -1,-0.1 -0.759 65.0 -82.3-167.8-149.3 5.4 -4.3 10.4 4 7 A Y S S+ 0 0 32 -2,-0.2 5,-0.1 5,-0.2 237,-0.1 0.156 83.0 109.0-125.9 19.1 4.5 -7.7 11.6 5 8 A G S > S- 0 0 25 4,-0.1 4,-1.7 1,-0.1 3,-0.4 -0.275 84.6 -97.1 -88.0 175.6 7.3 -9.9 10.4 6 9 A K T 4 S+ 0 0 167 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.771 123.4 43.6 -66.0 -25.9 10.1 -11.6 12.4 7 10 A H T 4 S+ 0 0 168 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.632 129.7 21.6 -96.1 -12.9 12.5 -8.7 11.7 8 11 A N T 4 S+ 0 0 54 -3,-0.4 -5,-2.3 -6,-0.0 -2,-0.2 0.239 95.5 129.4-137.8 14.0 10.2 -5.7 12.2 9 12 A G S >X S- 0 0 0 -4,-1.7 3,-2.4 -7,-0.2 4,-0.6 0.178 77.9 -77.8 -63.6 175.9 7.5 -7.2 14.4 10 13 A P G >4 S+ 0 0 26 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.749 125.4 64.6 -50.7 -33.8 5.9 -6.1 17.6 11 14 A E G 34 S+ 0 0 111 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.640 107.5 43.8 -67.0 -13.7 8.9 -7.3 19.6 12 15 A H G X> S+ 0 0 51 -3,-2.4 3,-1.4 1,-0.1 4,-0.5 0.541 85.2 91.0-105.3 -17.1 11.0 -4.7 17.8 13 16 A W H XX S+ 0 0 5 -3,-0.7 4,-2.4 -4,-0.6 3,-0.7 0.751 72.7 71.6 -55.0 -33.9 8.7 -1.6 18.0 14 17 A H H 34 S+ 0 0 64 -4,-0.4 -1,-0.2 1,-0.2 7,-0.1 0.709 87.9 64.3 -57.1 -29.0 10.2 -0.3 21.2 15 18 A K H <4 S+ 0 0 135 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.904 117.5 26.0 -62.0 -44.9 13.5 0.7 19.5 16 19 A D H << S+ 0 0 118 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.747 136.9 33.1 -91.5 -25.1 11.7 3.3 17.3 17 20 A F >< - 0 0 60 -4,-2.4 3,-2.4 1,-0.1 -1,-0.2 -0.780 63.7-177.6-137.2 84.5 8.8 3.9 19.8 18 21 A P G > S+ 0 0 99 0, 0.0 3,-2.1 0, 0.0 -4,-0.1 0.713 77.6 76.9 -55.7 -23.3 9.9 3.5 23.4 19 22 A I G > S+ 0 0 56 1,-0.3 3,-2.7 2,-0.2 -5,-0.1 0.646 71.2 88.2 -63.4 -13.2 6.4 4.1 24.6 20 23 A A G < S+ 0 0 7 -3,-2.4 -1,-0.3 1,-0.3 -6,-0.1 0.750 89.5 46.7 -53.2 -29.1 5.9 0.5 23.5 21 24 A K G < S+ 0 0 141 -3,-2.1 -1,-0.3 -7,-0.1 -2,-0.2 0.057 93.9 131.6-102.6 22.8 7.0 -0.4 27.1 22 25 A G S X S- 0 0 15 -3,-2.7 3,-0.5 1,-0.1 -3,-0.0 0.057 70.4-104.7 -69.9 179.9 4.7 2.2 28.7 23 26 A E T 3 S+ 0 0 131 1,-0.2 227,-0.1 169,-0.0 -1,-0.1 0.536 112.7 38.5 -82.6 -13.1 2.3 1.9 31.6 24 27 A R T 3 S+ 0 0 48 168,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.281 78.8 152.3-137.4 49.9 -1.0 1.9 29.6 25 28 A Q < - 0 0 3 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.436 34.5-106.0 -82.4 152.7 -0.2 -0.2 26.5 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.1 -2,-0.1 -0.902 75.6 46.4-126.4 156.7 -2.8 -2.1 24.6 27 30 A P + 0 0 0 0, 0.0 218,-2.9 0, 0.0 2,-0.3 0.628 63.9 175.5 -81.9 177.8 -4.1 -4.8 23.9 28 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.895 36.4-100.4-140.1 163.2 -4.6 -6.7 27.1 29 32 A D E -a 105 0A 34 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.754 34.0-135.5 -86.1 134.2 -6.1 -10.0 28.2 30 33 A I E -a 106 0A 0 75,-3.1 77,-3.5 -2,-0.4 2,-0.8 -0.887 14.4-158.7 -94.5 108.4 -9.5 -9.5 29.7 31 34 A D > - 0 0 69 -2,-0.8 4,-1.1 75,-0.2 3,-0.2 -0.824 4.6-160.5 -88.5 110.3 -9.6 -11.6 32.9 32 35 A T T 4 S+ 0 0 44 -2,-0.8 -1,-0.1 1,-0.2 74,-0.0 0.730 84.1 52.0 -70.2 -23.2 -13.4 -12.0 33.4 33 36 A H T 4 S+ 0 0 161 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.757 114.0 44.7 -83.0 -26.2 -13.3 -13.0 37.1 34 37 A T T 4 S+ 0 0 103 -3,-0.2 -2,-0.2 2,-0.1 218,-0.2 0.605 86.1 104.2 -89.7 -16.8 -11.2 -10.0 38.0 35 38 A A S < S- 0 0 18 -4,-1.1 2,-0.5 216,-0.1 218,-0.2 -0.446 71.6-128.2 -66.2 144.7 -13.0 -7.3 35.9 36 39 A K E -c 253 0B 117 216,-2.3 218,-2.8 -2,-0.1 2,-0.3 -0.887 7.8-128.5-101.4 126.1 -15.1 -5.2 38.3 37 40 A Y E -c 254 0B 130 -2,-0.5 218,-0.2 216,-0.2 151,-0.0 -0.567 26.0-163.1 -67.7 126.5 -18.8 -4.5 37.7 38 41 A D > - 0 0 26 216,-3.1 3,-1.2 -2,-0.3 -1,-0.1 -0.940 12.8-171.8-118.7 111.6 -19.3 -0.7 37.8 39 42 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.619 82.2 66.7 -74.7 -12.4 -22.9 0.3 38.3 40 43 A S T 3 S+ 0 0 83 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.561 78.1 106.2 -84.1 -9.2 -22.1 4.0 37.8 41 44 A L < - 0 0 33 -3,-1.2 -3,-0.0 213,-0.2 213,-0.0 -0.595 65.6-140.9 -77.1 126.6 -21.2 3.2 34.1 42 45 A K - 0 0 130 37,-0.9 39,-0.1 -2,-0.4 -1,-0.1 -0.409 26.1 -89.1 -83.4 157.5 -23.9 4.4 31.7 43 46 A P - 0 0 110 0, 0.0 36,-1.6 0, 0.0 2,-0.2 -0.358 49.6-101.6 -68.0 147.2 -25.1 2.6 28.6 44 47 A L E -D 78 0B 18 34,-0.3 2,-0.6 141,-0.3 34,-0.2 -0.516 27.5-146.9 -69.8 146.9 -23.2 3.3 25.4 45 48 A S E -D 77 0B 39 32,-2.9 32,-2.2 -2,-0.2 2,-0.6 -0.967 17.7-179.1-121.0 100.8 -24.8 5.7 23.0 46 49 A V E +D 76 0B 35 -2,-0.6 2,-0.7 30,-0.2 30,-0.2 -0.953 2.9 177.8-106.2 110.0 -24.0 4.8 19.3 47 50 A S E +D 75 0B 39 28,-3.1 28,-2.1 -2,-0.6 3,-0.1 -0.873 22.5 142.1-115.7 91.9 -25.6 7.2 16.9 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.4 26,-0.2 130,-0.3 0.149 32.2 108.9-113.3 14.9 -24.6 6.1 13.4 49 52 A D T 3 S+ 0 0 98 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.775 86.8 42.4 -63.5 -29.4 -27.7 6.8 11.4 50 53 A Q T 3 S+ 0 0 115 23,-0.8 -1,-0.3 -3,-0.1 24,-0.2 0.194 82.0 143.8-102.7 14.9 -26.1 9.8 9.6 51 54 A A < - 0 0 22 -3,-1.4 2,-0.5 22,-0.1 123,-0.1 -0.154 34.4-157.8 -55.9 140.0 -22.7 8.2 9.0 52 55 A T - 0 0 49 16,-0.3 16,-2.4 122,-0.1 2,-0.2 -0.850 4.9-165.2-122.2 100.2 -21.0 9.1 5.7 53 56 A S E +E 67 0B 0 -2,-0.5 121,-0.6 122,-0.4 14,-0.3 -0.511 10.3 176.0 -80.3 154.2 -18.3 6.7 4.5 54 57 A L E - 0 0 76 12,-2.6 118,-2.6 1,-0.4 2,-0.3 0.663 51.2 -14.7-119.5 -49.6 -16.0 8.0 1.8 55 58 A R E -EF 66 171B 89 11,-1.1 11,-3.1 116,-0.3 2,-0.4 -0.983 42.6-130.5-159.3 169.3 -13.4 5.4 1.0 56 59 A I E -EF 65 170B 0 114,-2.5 114,-2.3 -2,-0.3 2,-0.4 -0.979 27.9-176.0-126.6 136.6 -11.4 2.3 1.7 57 60 A L E -EF 64 169B 28 7,-2.1 7,-2.4 -2,-0.4 2,-0.8 -0.999 28.0-136.8-140.0 143.3 -7.6 2.2 1.6 58 61 A N E -E 63 0B 0 110,-2.6 109,-2.8 -2,-0.4 5,-0.2 -0.865 23.7-176.6 -93.2 108.8 -5.0 -0.5 2.0 59 62 A N - 0 0 32 3,-1.9 4,-0.1 -2,-0.8 -1,-0.1 0.335 52.7 -97.5 -96.7 10.9 -2.3 1.3 4.2 60 63 A G S S+ 0 0 10 2,-0.7 3,-0.1 166,-0.2 106,-0.1 0.349 119.5 49.0 96.8 -14.4 0.2 -1.5 4.2 61 64 A H S S- 0 0 48 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.385 125.3 -24.3-136.0 4.4 -0.9 -2.9 7.6 62 65 A A - 0 0 2 164,-0.1 -3,-1.9 165,-0.1 -2,-0.7 -0.935 69.6 -91.4-179.5-173.3 -4.6 -3.2 7.2 63 66 A F E -E 58 0B 0 -2,-0.3 29,-0.5 29,-0.3 2,-0.4 -0.964 35.3-156.6-128.3 121.8 -7.5 -1.6 5.2 64 67 A N E -E 57 0B 20 -7,-2.4 -7,-2.1 -2,-0.4 2,-0.6 -0.964 10.7-149.5 -95.9 142.7 -9.4 1.4 6.7 65 68 A V E -EG 56 90B 0 25,-2.6 25,-1.8 -2,-0.4 2,-0.3 -0.964 29.1-151.8-103.8 121.7 -12.9 2.4 5.8 66 69 A E E -EG 55 89B 46 -11,-3.1 -12,-2.6 -2,-0.6 -11,-1.1 -0.790 10.5-161.3-103.2 146.0 -12.8 6.3 6.3 67 70 A F E -E 53 0B 7 21,-2.6 2,-0.6 -2,-0.3 -14,-0.2 -0.866 30.6-100.6-124.4 157.6 -15.7 8.5 7.2 68 71 A D + 0 0 39 -16,-2.4 -16,-0.3 -2,-0.3 5,-0.2 -0.683 39.5 173.5 -75.8 112.0 -16.4 12.2 6.9 69 72 A D + 0 0 39 -2,-0.6 -1,-0.1 1,-0.1 17,-0.1 -0.138 46.6 107.0-115.5 33.0 -15.7 13.6 10.5 70 73 A S S S+ 0 0 80 56,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.461 88.4 26.1 -86.0 -8.6 -16.1 17.3 9.7 71 74 A Q S S- 0 0 115 -3,-0.2 2,-1.7 3,-0.1 3,-0.5 -0.923 98.1 -92.7-144.4 166.6 -19.5 17.3 11.5 72 75 A D S S+ 0 0 81 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.260 75.7 130.3 -82.9 51.9 -21.1 15.3 14.3 73 76 A K S S+ 0 0 51 -2,-1.7 -23,-0.8 1,-0.3 2,-0.5 0.892 74.1 25.2 -71.5 -48.1 -22.7 12.8 11.8 74 77 A A S S+ 0 0 7 -3,-0.5 13,-2.7 -6,-0.2 2,-0.3 -0.957 84.2 164.7-126.7 112.3 -21.6 9.5 13.4 75 78 A V E -DH 47 86B 11 -28,-2.1 -28,-3.1 -2,-0.5 2,-0.4 -0.914 31.5-150.2-134.7 161.6 -20.9 9.7 17.1 76 79 A L E +DH 46 85B 0 9,-2.3 9,-1.9 -2,-0.3 2,-0.3 -0.977 28.7 154.8-124.6 134.5 -20.3 7.7 20.3 77 80 A K E +D 45 0B 89 -32,-2.2 -32,-2.9 -2,-0.4 7,-0.1 -0.893 38.3 38.7-150.0 171.8 -21.2 9.0 23.8 78 81 A G E > S+D 44 0B 20 5,-0.3 3,-2.2 -2,-0.3 -34,-0.3 -0.335 70.7 87.7 78.6-161.2 -22.1 7.6 27.2 79 82 A G T 3 S- 0 0 1 -36,-1.6 -37,-0.9 1,-0.3 -1,-0.1 -0.507 121.4 -29.9 64.4-141.4 -20.5 4.5 28.6 80 83 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.304 115.9 112.0 -88.5 3.8 -17.4 5.8 30.5 81 84 A L < - 0 0 11 -3,-2.2 2,-0.4 -39,-0.1 -3,-0.2 -0.400 56.0-149.1 -81.4 160.7 -17.0 8.7 28.1 82 85 A D - 0 0 127 53,-0.1 2,-0.1 -2,-0.1 -3,-0.0 -0.999 65.6 -13.4-122.3 117.1 -17.4 12.4 28.6 83 86 A G S S- 0 0 51 -2,-0.4 2,-0.4 38,-0.1 -5,-0.3 -0.343 98.5 -35.0 87.7-173.0 -18.5 14.3 25.6 84 87 A T - 0 0 34 -7,-0.1 38,-2.7 -2,-0.1 2,-0.5 -0.849 42.0-166.7-103.7 128.4 -18.8 13.5 21.9 85 88 A Y E -HI 76 121B 4 -9,-1.9 -9,-2.3 -2,-0.4 2,-0.5 -0.956 15.5-145.0-114.2 121.3 -16.5 11.3 20.0 86 89 A R E -HI 75 120B 46 34,-2.5 34,-1.7 -2,-0.5 2,-0.3 -0.775 19.3-115.9 -95.0 134.8 -16.7 11.4 16.2 87 90 A L E + I 0 119B 2 -13,-2.7 32,-0.3 -2,-0.5 -13,-0.2 -0.451 38.4 166.6 -65.7 122.6 -16.2 8.3 14.0 88 91 A I E - 0 0 33 30,-2.6 -21,-2.6 1,-0.4 2,-0.3 0.749 59.6 -25.3-103.2 -44.7 -13.1 8.7 11.8 89 92 A Q E -GI 66 118B 33 29,-1.2 29,-2.7 -23,-0.3 -1,-0.4 -0.974 46.6-143.7-164.1 162.8 -12.4 5.2 10.5 90 93 A F E +GI 65 117B 0 -25,-1.8 -25,-2.6 -2,-0.3 2,-0.3 -0.977 24.0 162.8-134.6 150.3 -12.8 1.4 11.2 91 94 A H E - I 0 116B 24 25,-1.9 25,-3.0 -2,-0.3 2,-0.3 -0.903 23.1-130.0-154.3 170.6 -10.3 -1.4 10.4 92 95 A F E - I 0 115B 0 -29,-0.5 2,-0.3 -2,-0.3 -29,-0.3 -0.840 1.7-145.7-126.3 170.3 -9.7 -5.0 11.5 93 96 A H E + I 0 114B 2 21,-1.4 21,-2.1 -2,-0.3 2,-0.3 -0.932 31.4 173.2-132.9 132.6 -6.8 -7.3 12.7 94 97 A W E - I 0 113B 0 -2,-0.3 146,-1.1 19,-0.2 145,-0.7 -0.924 21.4-122.7-143.9 168.6 -7.0 -10.9 11.6 95 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.7 3,-0.1 -0.475 23.4-119.9-110.5 178.9 -5.0 -14.1 11.6 96 99 A S S S+ 0 0 41 -2,-0.2 2,-0.3 142,-0.1 5,-0.1 0.651 105.9 33.2 -85.5 -20.3 -3.5 -16.6 9.2 97 100 A L S > S- 0 0 105 3,-0.2 3,-1.6 15,-0.1 -2,-0.2 -0.911 88.4-114.3-131.6 156.6 -5.7 -19.2 11.0 98 101 A D T 3 S+ 0 0 71 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.584 109.1 71.8 -67.3 -15.5 -9.2 -19.0 12.6 99 102 A G T 3 S+ 0 0 55 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.459 107.5 23.8 -80.7 -2.5 -7.6 -19.8 16.0 100 103 A Q < + 0 0 53 -3,-1.6 -5,-0.7 12,-0.1 -3,-0.2 -0.964 64.8 102.5-156.1 165.7 -5.9 -16.4 16.2 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.041 55.6 103.0 145.0 -35.3 -6.3 -12.8 14.9 102 105 A S - 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