==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE(OXO-ACID) 01-JUN-92 2CBC . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.HAKANSSON,M.CARLSSON,L.A.SVENSSON,A.LILJAS . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11854.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 64.7 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 21.7 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 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.0 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 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 3 A H 0 0 230 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-125.2 13.6 -0.7 8.8 2 4 A H - 0 0 114 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.649 360.0 -98.5 -97.5 154.7 9.9 0.3 9.0 3 5 A W + 0 0 34 -2,-0.3 2,-0.2 1,-0.1 7,-0.2 -0.250 56.5 134.9 -62.7 155.1 7.6 -1.6 11.4 4 6 A G - 0 0 12 5,-2.3 10,-0.1 2,-0.2 -1,-0.1 -0.777 64.3 -82.7-167.9-151.8 5.3 -4.4 10.4 5 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.136 83.4 112.3-122.1 18.9 4.4 -7.8 11.7 6 8 A G S > S- 0 0 36 4,-0.1 4,-1.6 1,-0.1 3,-0.5 -0.281 83.5 -96.5 -87.5 177.7 7.3 -9.9 10.3 7 9 A K T 4 S+ 0 0 146 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.842 123.2 41.4 -61.1 -37.4 10.1 -11.7 12.2 8 10 A H T 4 S+ 0 0 162 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.623 129.8 22.6 -92.4 -8.9 12.4 -8.8 11.7 9 11 A N T 4 S+ 0 0 55 -3,-0.5 -5,-2.3 -6,-0.0 -2,-0.2 0.259 93.2 130.3-141.3 17.7 10.1 -5.8 12.3 10 12 A G S >X S- 0 0 0 -4,-1.6 3,-2.6 -7,-0.2 4,-0.6 0.192 78.5 -75.1 -71.2 173.7 7.4 -7.3 14.4 11 13 A P G >4 S+ 0 0 27 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.745 126.1 64.4 -46.4 -32.6 5.8 -6.2 17.7 12 14 A E G 34 S+ 0 0 100 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.633 106.5 43.9 -68.6 -13.3 8.9 -7.3 19.6 13 15 A H G X> S+ 0 0 49 -3,-2.6 3,-1.5 1,-0.1 4,-0.5 0.566 85.3 93.0-103.9 -10.5 11.0 -4.7 17.9 14 16 A W H XX S+ 0 0 5 -3,-0.8 4,-2.8 -4,-0.6 3,-0.9 0.800 72.7 69.1 -58.4 -35.2 8.7 -1.7 18.0 15 17 A H H 34 S+ 0 0 68 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.753 87.9 67.2 -54.0 -31.0 10.1 -0.4 21.2 16 18 A K H <4 S+ 0 0 132 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.911 117.8 22.2 -62.3 -39.9 13.4 0.5 19.4 17 19 A D H << S+ 0 0 111 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.768 136.0 37.1 -97.7 -24.9 11.6 3.2 17.3 18 20 A F >< - 0 0 60 -4,-2.8 3,-2.5 1,-0.1 -1,-0.2 -0.816 63.9-176.7-131.7 85.2 8.6 3.8 19.7 19 21 A P G > S+ 0 0 99 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.728 77.2 76.7 -55.7 -26.1 9.8 3.5 23.3 20 22 A I G > S+ 0 0 61 1,-0.3 3,-2.5 2,-0.2 -5,-0.1 0.660 70.1 88.2 -62.0 -9.6 6.3 4.0 24.5 21 23 A A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.701 90.4 46.2 -55.7 -26.7 5.8 0.4 23.5 22 24 A K G < S+ 0 0 141 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 0.049 94.4 133.1-106.3 23.3 6.9 -0.5 27.0 23 25 A G < - 0 0 16 -3,-2.5 3,-0.4 1,-0.1 -3,-0.0 0.076 69.6-106.9 -67.1 178.5 4.7 2.1 28.5 24 26 A E S S+ 0 0 118 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.549 111.5 38.9 -86.7 -16.5 2.3 1.9 31.5 25 27 A R S S+ 0 0 46 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.284 79.3 151.0-136.8 56.1 -1.0 1.9 29.5 26 28 A Q - 0 0 3 -3,-0.4 220,-0.2 221,-0.3 170,-0.1 -0.486 33.6-103.1 -87.9 151.1 -0.4 -0.2 26.4 27 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.860 75.8 42.7-125.9 160.3 -3.0 -2.2 24.5 28 30 A P + 0 0 0 0, 0.0 218,-2.9 0, 0.0 2,-0.3 0.693 65.4 178.6 -82.1-178.2 -4.3 -4.7 23.8 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.847 35.9 -99.5-135.2 165.1 -4.7 -6.7 27.1 30 32 A D E -a 106 0A 35 216,-0.4 2,-0.7 -2,-0.3 77,-0.2 -0.763 36.2-137.3 -83.4 134.7 -6.1 -10.0 28.3 31 33 A I E -a 107 0A 0 75,-2.8 77,-3.3 -2,-0.4 2,-0.8 -0.878 12.7-159.5 -99.5 109.8 -9.6 -9.5 29.8 32 34 A D >> - 0 0 62 -2,-0.7 4,-1.3 75,-0.2 3,-1.0 -0.840 0.9-162.5 -93.2 112.7 -9.8 -11.6 33.0 33 35 A T T 34 S+ 0 0 50 -2,-0.8 -1,-0.1 1,-0.3 222,-0.0 0.718 86.3 54.8 -68.4 -26.1 -13.6 -11.8 33.5 34 36 A H T 34 S+ 0 0 163 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.655 114.4 40.0 -83.5 -14.4 -13.3 -12.9 37.1 35 37 A T T <4 S+ 0 0 103 -3,-1.0 -2,-0.2 2,-0.1 218,-0.2 0.506 88.4 103.4-108.3 -16.9 -11.2 -9.8 38.0 36 38 A A S < S- 0 0 19 -4,-1.3 2,-0.5 216,-0.1 218,-0.2 -0.491 71.3-132.2 -66.4 138.9 -13.0 -7.2 35.9 37 39 A K E -c 254 0B 120 216,-2.5 218,-2.6 -2,-0.1 2,-0.3 -0.890 8.2-126.8-101.6 128.1 -15.2 -5.2 38.3 38 40 A Y E -c 255 0B 82 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.490 24.7-160.6 -67.7 131.2 -18.9 -4.5 37.5 39 41 A D > - 0 0 30 216,-3.1 3,-1.8 -2,-0.3 -1,-0.1 -0.895 13.0-171.0-122.6 107.2 -19.4 -0.7 37.7 40 42 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.518 84.2 66.8 -72.1 -9.3 -23.0 0.3 38.2 41 43 A S T 3 S+ 0 0 88 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.468 77.2 104.8 -89.5 -6.9 -22.1 4.0 37.6 42 44 A L < - 0 0 27 -3,-1.8 3,-0.1 213,-0.2 213,-0.0 -0.668 67.6-139.6 -77.0 133.6 -21.2 3.2 34.0 43 45 A K - 0 0 123 37,-1.1 2,-0.1 -2,-0.4 39,-0.1 -0.364 26.0 -91.1 -87.8 160.9 -23.9 4.4 31.6 44 46 A P - 0 0 109 0, 0.0 36,-1.5 0, 0.0 2,-0.1 -0.475 49.6-104.2 -69.3 150.0 -25.1 2.5 28.6 45 47 A L E -D 79 0B 18 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.502 25.1-148.4 -72.4 152.9 -23.3 3.4 25.4 46 48 A S E -D 78 0B 46 32,-2.8 32,-2.6 -2,-0.1 2,-0.6 -0.992 14.7-176.7-128.2 107.8 -24.9 5.6 22.8 47 49 A V E -D 77 0B 34 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.979 0.9-176.9-104.9 111.4 -23.9 4.8 19.2 48 50 A S E +D 76 0B 36 28,-3.2 28,-2.1 -2,-0.6 3,-0.2 -0.842 25.5 142.6-115.6 88.9 -25.5 7.3 16.7 49 51 A Y > + 0 0 3 -2,-0.7 3,-1.3 26,-0.2 130,-0.3 0.225 33.9 104.5-109.5 9.9 -24.5 6.1 13.3 50 52 A D T 3 S+ 0 0 104 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.770 86.7 45.2 -64.5 -27.1 -27.6 6.7 11.2 51 53 A Q T 3 S+ 0 0 129 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.182 83.7 145.2-101.3 16.5 -26.0 9.8 9.6 52 54 A A < - 0 0 20 -3,-1.3 2,-0.5 22,-0.2 123,-0.1 -0.211 34.1-159.3 -56.8 137.2 -22.7 8.2 8.9 53 55 A T - 0 0 46 16,-0.3 16,-2.8 122,-0.1 2,-0.2 -0.865 4.5-166.2-124.9 100.2 -20.9 9.1 5.7 54 56 A S E +E 68 0B 1 -2,-0.5 121,-0.7 122,-0.4 14,-0.3 -0.491 11.1 173.1 -77.7 152.0 -18.3 6.6 4.5 55 57 A L E - 0 0 78 12,-2.8 118,-2.3 1,-0.4 2,-0.3 0.654 50.2 -4.4-125.1 -44.8 -15.9 7.9 1.8 56 58 A R E -EF 67 172B 87 11,-1.1 11,-2.8 116,-0.3 -1,-0.4 -0.974 44.1-137.0-157.9 161.6 -13.2 5.5 1.0 57 59 A I E -EF 66 171B 0 114,-2.3 114,-2.1 -2,-0.3 2,-0.4 -0.983 28.1-174.8-124.6 137.2 -11.4 2.3 1.7 58 60 A L E -EF 65 170B 30 7,-2.4 7,-2.3 -2,-0.4 2,-0.8 -0.998 27.8-142.5-139.7 139.9 -7.6 2.2 1.7 59 61 A N E -E 64 0B 0 110,-2.8 109,-2.5 -2,-0.4 5,-0.2 -0.877 22.5-177.8 -93.7 109.8 -4.9 -0.6 2.0 60 62 A N - 0 0 33 3,-2.1 4,-0.1 -2,-0.8 -1,-0.1 0.273 52.8-100.4 -95.7 11.0 -2.3 1.3 4.2 61 63 A G S S+ 0 0 12 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.221 117.6 55.1 91.6 -8.3 0.1 -1.6 4.2 62 64 A H S S- 0 0 48 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.533 124.4 -31.1-124.2 -24.5 -0.9 -2.8 7.7 63 65 A A S S- 0 0 0 164,-0.1 -3,-2.1 165,-0.1 -1,-0.5 -0.898 71.4 -88.4-167.4-165.3 -4.6 -3.3 7.4 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 29,-0.2 2,-0.4 -0.990 35.3-157.9-125.8 131.8 -7.5 -1.7 5.4 65 67 A N E -E 58 0B 19 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.6 -0.926 10.3-151.2-108.8 137.2 -9.3 1.3 6.8 66 68 A V E -EG 57 91B 0 25,-2.4 25,-1.6 -2,-0.4 2,-0.3 -0.952 28.4-150.6 -98.9 122.8 -12.8 2.5 5.8 67 69 A E E -EG 56 90B 48 -11,-2.8 -12,-2.8 -2,-0.6 -11,-1.1 -0.732 9.7-157.5-103.0 150.5 -12.8 6.2 6.3 68 70 A F E -E 54 0B 8 21,-2.4 2,-0.7 -2,-0.3 -14,-0.2 -0.811 30.3-101.9-121.5 156.9 -15.7 8.5 7.2 69 71 A D + 0 0 39 -16,-2.8 -16,-0.3 -2,-0.3 6,-0.3 -0.753 40.1 174.7 -79.1 119.5 -16.4 12.2 6.9 70 72 A D + 0 0 43 -2,-0.7 -1,-0.1 1,-0.2 17,-0.1 -0.006 45.5 108.9-115.2 23.9 -15.7 13.5 10.4 71 73 A S S S+ 0 0 78 2,-0.0 2,-0.3 56,-0.0 -1,-0.2 0.588 88.1 18.7 -77.3 -8.7 -16.2 17.2 9.7 72 74 A Q S S- 0 0 117 -3,-0.2 2,-2.2 3,-0.1 3,-0.5 -0.908 100.6 -80.7-151.1 169.0 -19.4 17.2 11.6 73 75 A D S S+ 0 0 91 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.474 78.2 128.7 -76.5 64.3 -21.2 15.2 14.2 74 76 A K S S+ 0 0 54 -2,-2.2 -23,-0.8 1,-0.3 2,-0.6 0.908 74.6 21.7 -85.9 -57.8 -22.5 12.6 11.7 75 77 A A S S+ 0 0 5 -3,-0.5 13,-2.7 -6,-0.3 2,-0.3 -0.967 86.2 167.3-118.3 110.9 -21.4 9.3 13.3 76 78 A V E -DH 48 87B 9 -28,-2.1 -28,-3.2 -2,-0.6 2,-0.4 -0.907 30.0-152.3-131.9 159.2 -20.8 9.6 17.1 77 79 A L E +DH 47 86B 0 9,-3.1 9,-2.2 -2,-0.3 2,-0.3 -0.969 28.5 151.7-122.3 137.7 -20.3 7.7 20.2 78 80 A K E +D 46 0B 72 -32,-2.6 -32,-2.8 -2,-0.4 7,-0.1 -0.911 36.7 40.1-152.3 177.3 -21.2 8.9 23.7 79 81 A G E > S+D 45 0B 22 5,-0.4 3,-2.2 -2,-0.3 -34,-0.3 -0.358 72.3 87.0 74.3-154.8 -22.2 7.7 27.1 80 82 A G T 3 S- 0 0 0 -36,-1.5 -37,-1.1 1,-0.3 -1,-0.1 -0.421 120.5 -28.0 63.8-138.5 -20.6 4.6 28.6 81 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.279 115.9 111.4 -88.2 3.3 -17.4 5.7 30.4 82 84 A L < - 0 0 12 -3,-2.2 2,-0.5 -39,-0.1 -3,-0.3 -0.573 54.2-155.2 -86.5 151.2 -17.0 8.7 28.1 83 85 A D - 0 0 130 -2,-0.2 2,-0.1 53,-0.1 -3,-0.0 -0.993 69.1 -0.3-115.6 123.7 -17.4 12.4 28.8 84 86 A G S S- 0 0 47 -2,-0.5 2,-0.4 39,-0.1 -5,-0.4 -0.389 97.5 -51.0 95.0-177.6 -18.3 14.3 25.6 85 87 A T - 0 0 33 -2,-0.1 38,-2.5 -7,-0.1 2,-0.5 -0.886 40.6-160.4-108.3 137.0 -18.8 13.3 22.1 86 88 A Y E -HI 77 122B 4 -9,-2.2 -9,-3.1 -2,-0.4 2,-0.4 -0.987 11.0-143.8-121.8 127.1 -16.5 11.3 20.0 87 89 A R E -HI 76 121B 43 34,-2.1 34,-1.8 -2,-0.5 -11,-0.2 -0.755 18.8-120.1 -91.5 130.9 -16.7 11.2 16.2 88 90 A L E + I 0 120B 2 -13,-2.7 32,-0.3 -2,-0.4 -13,-0.2 -0.465 36.3 166.8 -66.6 132.7 -16.0 8.1 14.1 89 91 A I E - 0 0 33 30,-2.8 -21,-2.4 1,-0.5 2,-0.3 0.702 60.0 -19.0-116.1 -40.6 -13.1 8.6 11.7 90 92 A Q E -GI 67 119B 34 29,-1.2 29,-2.7 -23,-0.2 -1,-0.5 -0.984 47.9-146.7-161.9 162.1 -12.3 5.1 10.5 91 93 A F E +GI 66 118B 0 -25,-1.6 -25,-2.4 -2,-0.3 2,-0.3 -0.963 23.4 164.0-130.5 157.3 -12.7 1.4 11.2 92 94 A H E - I 0 117B 24 25,-1.7 25,-3.0 -2,-0.3 2,-0.3 -0.916 23.4-125.5-162.8 168.1 -10.3 -1.4 10.4 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.2 -0.845 2.8-153.7-122.5 162.2 -9.7 -5.0 11.3 94 96 A H E + I 0 115B 1 21,-1.7 21,-2.5 -2,-0.3 2,-0.3 -0.981 31.3 165.9-129.1 135.2 -6.9 -7.2 12.7 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.9 -0.943 25.1-118.1-149.1 171.5 -7.1 -10.9 11.7 96 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.7 3,-0.1 -0.391 23.6-118.5-109.2 178.7 -5.1 -14.1 11.6 97 99 A S S S+ 0 0 43 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.525 105.5 31.6 -87.1 -12.0 -3.7 -16.6 9.2 98 100 A L S > S- 0 0 111 3,-0.3 3,-1.6 15,-0.1 -2,-0.2 -0.960 90.3-109.7-139.2 157.8 -5.9 -19.3 10.9 99 101 A D T 3 S+ 0 0 71 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.705 109.2 67.1 -66.1 -23.2 -9.3 -19.1 12.6 100 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.354 107.4 32.9 -82.5 8.0 -7.8 -19.7 16.1 101 103 A Q < + 0 0 53 -3,-1.6 -5,-0.7 12,-0.1 -3,-0.3 -0.957 64.6 96.0-154.0 162.8 -6.0 -16.3 16.2 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 -0.023 57.3 105.9 141.4 -31.9 -6.3 -12.7 14.9 103 105 A S - 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