==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE(OXO-ACID) 01-SEP-92 1BIC . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.XUE,J.VIDGREN,L.A.SVENSSON,A.LILJAS,B.-H.JONSSON, . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 62.0 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 21.7 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 . 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 . 20 7.8 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 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 3 A H 0 0 224 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-126.6 13.8 -0.8 9.2 2 4 A H - 0 0 114 1,-0.1 0, 0.0 15,-0.0 0, 0.0 -0.652 360.0 -91.9 -94.0 149.5 10.1 0.4 9.2 3 5 A W + 0 0 34 -2,-0.3 2,-0.2 1,-0.1 7,-0.2 -0.168 57.8 137.1 -58.0 147.1 7.7 -1.5 11.5 4 6 A G - 0 0 11 5,-2.5 10,-0.1 2,-0.2 -1,-0.1 -0.735 62.0 -87.4-160.6-152.7 5.5 -4.4 10.4 5 7 A Y S S+ 0 0 31 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.075 83.1 109.7-123.9 18.5 4.4 -7.7 11.8 6 8 A G S > S- 0 0 36 4,-0.1 4,-1.7 1,-0.1 3,-0.2 -0.272 84.6 -92.6 -90.8-176.9 7.3 -9.9 10.5 7 9 A K T 4 S+ 0 0 146 1,-0.2 5,-0.1 2,-0.2 -1,-0.1 0.855 124.0 35.8 -59.2 -43.1 10.2 -11.6 12.2 8 10 A H T 4 S+ 0 0 157 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.565 131.2 26.0 -96.1 -10.0 12.5 -8.7 11.8 9 11 A N T 4 S+ 0 0 54 -3,-0.2 -5,-2.5 -6,-0.0 -2,-0.2 0.246 94.1 124.5-138.3 15.1 10.2 -5.7 12.2 10 12 A G S >X S- 0 0 0 -4,-1.7 3,-2.8 -7,-0.2 4,-0.5 0.122 80.3 -72.6 -72.7 177.7 7.4 -7.2 14.4 11 13 A P G >4 S+ 0 0 27 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.760 125.8 62.6 -45.0 -35.4 5.9 -6.2 17.8 12 14 A E G 34 S+ 0 0 106 1,-0.3 3,-0.1 2,-0.1 -5,-0.1 0.698 107.1 44.6 -68.5 -15.0 9.0 -7.4 19.7 13 15 A H G X4 S+ 0 0 52 -3,-2.8 3,-1.3 1,-0.1 4,-0.5 0.453 85.0 94.7-105.6 -7.1 11.1 -4.8 17.9 14 16 A W G XX S+ 0 0 5 -3,-1.1 4,-2.7 -4,-0.5 3,-0.8 0.802 70.7 69.0 -60.6 -35.3 8.7 -1.8 18.2 15 17 A H G 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.704 87.7 69.0 -55.3 -27.3 10.3 -0.4 21.4 16 18 A K G <4 S+ 0 0 134 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.917 117.3 20.1 -60.2 -47.5 13.4 0.6 19.4 17 19 A D T <4 S+ 0 0 114 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.704 136.1 38.7 -94.0 -25.5 11.7 3.3 17.4 18 20 A F >< - 0 0 63 -4,-2.7 3,-2.3 1,-0.1 -1,-0.2 -0.793 63.6-177.1-131.1 83.9 8.7 3.8 19.8 19 21 A P G > S+ 0 0 101 0, 0.0 3,-1.7 0, 0.0 -4,-0.1 0.684 76.6 76.3 -56.7 -21.1 9.8 3.6 23.4 20 22 A I G > S+ 0 0 59 1,-0.3 3,-3.1 179,-0.2 -5,-0.1 0.658 70.3 90.8 -65.2 -11.3 6.2 4.0 24.6 21 23 A A G < S+ 0 0 6 -3,-2.3 -1,-0.3 1,-0.3 -6,-0.1 0.720 92.2 41.4 -52.8 -25.1 5.9 0.4 23.6 22 24 A K G < S+ 0 0 143 -3,-1.7 -1,-0.3 -7,-0.1 -2,-0.2 0.011 96.0 131.3-113.2 25.9 6.9 -0.4 27.1 23 25 A G S < S- 0 0 16 -3,-3.1 3,-0.4 1,-0.1 -3,-0.1 0.125 70.8-101.6 -68.6-175.8 4.7 2.3 28.6 24 26 A E S S+ 0 0 117 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.592 111.8 38.6 -89.2 -14.5 2.3 2.1 31.4 25 27 A R S S+ 0 0 49 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.421 78.7 155.9-135.8 55.1 -1.0 1.9 29.5 26 28 A Q - 0 0 5 -3,-0.4 220,-0.2 221,-0.3 170,-0.1 -0.560 31.7-106.5 -86.7 149.6 -0.3 -0.2 26.5 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.864 76.1 44.5-123.6 156.7 -2.9 -2.2 24.6 28 30 A P + 0 0 0 0, 0.0 218,-2.6 0, 0.0 2,-0.3 0.669 65.0 176.1 -80.6 178.1 -4.2 -4.8 23.9 29 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.5 -0.871 37.3 -99.3-135.8 166.5 -4.6 -6.7 27.2 30 32 A D E -a 106 0A 38 216,-0.4 2,-0.7 -2,-0.3 77,-0.2 -0.820 35.3-137.5 -87.4 130.5 -6.1 -10.1 28.3 31 33 A I E -a 107 0A 0 75,-3.1 77,-3.3 -2,-0.5 2,-0.8 -0.870 12.6-158.9 -91.9 111.2 -9.5 -9.5 29.8 32 34 A D >> - 0 0 64 -2,-0.7 4,-1.0 75,-0.2 3,-0.9 -0.849 2.6-160.7 -89.3 108.0 -9.8 -11.6 32.9 33 35 A T T 34 S+ 0 0 47 -2,-0.8 -1,-0.1 1,-0.2 222,-0.0 0.760 86.4 52.0 -65.7 -25.8 -13.6 -11.9 33.4 34 36 A H T 34 S+ 0 0 166 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.542 113.7 43.0 -86.9 -8.3 -13.4 -12.9 37.1 35 37 A T T <4 S+ 0 0 110 -3,-0.9 2,-0.2 2,-0.1 218,-0.2 0.518 87.4 106.4-111.7 -8.3 -11.2 -10.0 38.0 36 38 A A S < S- 0 0 19 -4,-1.0 2,-0.5 216,-0.1 218,-0.2 -0.567 72.1-127.4 -73.2 134.1 -13.0 -7.3 36.0 37 39 A K E -c 254 0B 121 216,-2.3 218,-2.8 -2,-0.2 2,-0.4 -0.769 8.8-130.8 -92.3 123.2 -15.0 -5.1 38.4 38 40 A Y E -c 255 0B 86 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.578 24.9-164.8 -68.5 127.0 -18.7 -4.5 37.8 39 41 A D > - 0 0 28 216,-2.7 3,-1.6 -2,-0.4 -1,-0.1 -0.938 14.3-171.2-121.1 107.9 -19.3 -0.7 37.9 40 42 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.566 83.6 70.7 -72.4 -10.3 -22.9 0.3 38.3 41 43 A S T 3 S+ 0 0 83 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.561 75.6 106.7 -81.8 -10.0 -21.9 3.9 37.8 42 44 A L < - 0 0 32 -3,-1.6 3,-0.1 213,-0.2 38,-0.0 -0.580 64.5-144.9 -75.4 129.6 -21.2 3.0 34.1 43 45 A K - 0 0 122 37,-0.7 2,-0.1 -2,-0.4 39,-0.1 -0.414 26.8 -91.9 -88.5 161.4 -23.9 4.4 31.8 44 46 A P - 0 0 110 0, 0.0 36,-1.7 0, 0.0 2,-0.2 -0.444 47.3-100.8 -72.9 153.1 -25.1 2.5 28.7 45 47 A L E -D 79 0B 17 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.517 26.1-150.5 -76.3 148.6 -23.4 3.3 25.4 46 48 A S E -D 78 0B 47 32,-2.5 32,-2.0 -2,-0.2 2,-0.6 -0.980 14.1-178.1-124.8 111.4 -24.9 5.6 22.9 47 49 A V E -D 77 0B 35 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.959 3.6-178.4-111.9 107.3 -24.0 4.8 19.3 48 50 A S E +D 76 0B 31 28,-2.7 28,-1.7 -2,-0.6 3,-0.2 -0.799 25.2 143.2-112.6 86.8 -25.6 7.3 16.7 49 51 A Y > + 0 0 1 -2,-0.7 3,-1.5 26,-0.2 130,-0.2 0.231 36.4 106.2-105.6 7.7 -24.5 6.0 13.3 50 52 A D T 3 S+ 0 0 102 1,-0.3 -1,-0.2 -3,-0.1 25,-0.1 0.808 85.7 41.9 -57.8 -35.4 -27.7 6.8 11.5 51 53 A Q T 3 S+ 0 0 133 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.243 83.4 146.7-100.1 13.6 -26.0 9.8 9.7 52 54 A A < - 0 0 23 -3,-1.5 2,-0.5 22,-0.2 123,-0.1 -0.102 31.5-161.9 -50.8 137.5 -22.7 8.1 8.9 53 55 A T - 0 0 48 16,-0.3 16,-3.0 122,-0.1 2,-0.2 -0.894 4.2-166.1-126.7 99.5 -21.0 9.1 5.7 54 56 A S E +E 68 0B 1 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.592 10.2 175.3 -81.6 153.5 -18.3 6.6 4.5 55 57 A L E - 0 0 76 12,-3.4 118,-2.6 1,-0.4 2,-0.3 0.665 50.2 -3.6-124.5 -45.1 -16.0 7.9 1.8 56 58 A R E -EF 67 172B 82 11,-1.0 11,-3.2 116,-0.3 -1,-0.4 -0.971 46.8-135.1-154.3 161.4 -13.2 5.6 0.9 57 59 A I E -EF 66 171B 0 114,-2.7 114,-2.6 -2,-0.3 2,-0.4 -0.978 29.7-172.2-121.3 135.2 -11.5 2.3 1.6 58 60 A L E -EF 65 170B 29 7,-2.2 7,-2.7 -2,-0.4 2,-0.8 -0.988 27.4-145.4-136.7 137.4 -7.7 2.2 1.8 59 61 A N E +E 64 0B 0 110,-3.0 109,-2.9 -2,-0.4 5,-0.2 -0.793 22.8 177.7 -92.7 115.6 -4.9 -0.4 2.0 60 62 A N - 0 0 38 3,-2.1 -1,-0.1 -2,-0.8 4,-0.1 0.312 55.0 -96.5-103.7 7.9 -2.3 1.4 4.2 61 63 A G S S+ 0 0 11 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.123 118.3 47.8 99.0 -17.7 0.2 -1.5 4.3 62 64 A H S S- 0 0 32 1,-0.4 2,-0.3 -58,-0.1 166,-0.1 0.544 124.5 -17.2-127.9 -16.2 -0.8 -2.9 7.7 63 65 A A - 0 0 1 -5,-0.1 -3,-2.1 165,-0.1 -2,-0.5 -0.887 69.8 -95.8-164.3-172.1 -4.6 -3.1 7.4 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 29,-0.3 2,-0.4 -0.988 36.6-156.2-121.5 130.4 -7.5 -1.7 5.3 65 67 A N E -E 58 0B 20 -7,-2.7 -7,-2.2 -2,-0.4 2,-0.6 -0.931 9.7-150.5-110.1 137.8 -9.3 1.3 6.7 66 68 A V E -EG 57 91B 0 25,-2.8 25,-1.6 -2,-0.4 2,-0.4 -0.914 27.2-150.7-101.6 125.5 -12.9 2.4 5.8 67 69 A E E -EG 56 90B 46 -11,-3.2 -12,-3.4 -2,-0.6 -11,-1.0 -0.806 11.8-163.4-106.0 147.5 -12.9 6.2 6.2 68 70 A F E -E 54 0B 9 21,-2.3 2,-0.6 -2,-0.4 -14,-0.2 -0.874 32.6-100.5-124.5 154.5 -15.8 8.5 7.1 69 71 A D + 0 0 38 -16,-3.0 -16,-0.3 -2,-0.3 6,-0.2 -0.634 39.8 174.5 -70.8 120.7 -16.4 12.2 6.9 70 72 A D + 0 0 41 -2,-0.6 -1,-0.1 1,-0.1 17,-0.1 -0.067 46.9 106.6-117.2 29.3 -15.7 13.5 10.4 71 73 A S S S+ 0 0 80 56,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.484 89.0 24.8 -84.4 -3.9 -16.1 17.3 9.7 72 74 A Q S S- 0 0 117 -3,-0.2 2,-2.5 3,-0.1 3,-0.4 -0.941 100.2 -85.7-151.7 164.2 -19.5 17.2 11.6 73 75 A D S S+ 0 0 86 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.315 76.2 131.8 -75.4 58.7 -21.2 15.2 14.3 74 76 A K S S+ 0 0 50 -2,-2.5 -23,-0.8 1,-0.3 2,-0.5 0.949 73.8 17.4 -77.9 -55.1 -22.5 12.6 11.8 75 77 A A S S+ 0 0 5 -3,-0.4 13,-2.6 -6,-0.2 2,-0.3 -0.969 85.3 168.8-126.3 109.9 -21.6 9.3 13.4 76 78 A V E -DH 48 87B 6 -28,-1.7 -28,-2.7 -2,-0.5 2,-0.4 -0.876 30.0-149.3-129.4 161.9 -20.8 9.6 17.2 77 79 A L E +DH 47 86B 0 9,-2.4 9,-2.1 -2,-0.3 2,-0.3 -0.959 30.0 151.4-123.7 134.7 -20.2 7.7 20.3 78 80 A K E +D 46 0B 72 -32,-2.0 -32,-2.5 -2,-0.4 2,-0.1 -0.895 37.3 41.8-153.9 172.9 -21.1 9.0 23.8 79 81 A G E > S+D 45 0B 20 5,-0.3 3,-3.0 3,-0.3 -34,-0.3 -0.443 72.8 81.8 84.6-155.7 -22.2 7.6 27.1 80 82 A G T 3 S- 0 0 0 -36,-1.7 -37,-0.7 1,-0.3 -1,-0.2 -0.221 122.2 -23.9 54.1-136.6 -20.6 4.6 28.7 81 83 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.392 115.9 109.9 -82.7 1.9 -17.4 5.7 30.4 82 84 A L < - 0 0 13 -3,-3.0 2,-0.5 -39,-0.1 -3,-0.3 -0.514 54.5-154.8 -88.4 156.1 -17.0 8.7 28.1 83 85 A D S S- 0 0 128 -2,-0.2 2,-0.0 53,-0.1 -3,-0.0 -0.983 70.3 -3.2-116.0 124.0 -17.4 12.4 28.9 84 86 A G S S- 0 0 47 -2,-0.5 -5,-0.3 39,-0.1 2,-0.3 -0.174 97.4 -50.2 88.1 178.0 -18.4 14.3 25.6 85 87 A T - 0 0 34 -7,-0.1 38,-2.1 -9,-0.0 2,-0.4 -0.715 40.1-161.6 -97.6 144.1 -18.9 13.3 22.1 86 88 A Y E -HI 77 122B 4 -9,-2.1 -9,-2.4 -2,-0.3 2,-0.4 -0.996 12.8-142.9-128.8 126.2 -16.5 11.3 19.9 87 89 A R E -HI 76 121B 45 34,-2.1 34,-2.1 -2,-0.4 2,-0.4 -0.789 20.2-116.6 -93.3 139.1 -16.7 11.2 16.1 88 90 A L E + I 0 120B 2 -13,-2.6 32,-0.2 -2,-0.4 -13,-0.2 -0.597 36.8 168.3 -73.2 126.5 -16.1 8.2 14.0 89 91 A I E - 0 0 33 30,-2.6 -21,-2.3 1,-0.4 2,-0.3 0.711 60.4 -24.2-106.6 -47.5 -13.1 8.7 11.8 90 92 A Q E -GI 67 119B 29 29,-1.2 29,-3.5 -23,-0.2 -1,-0.4 -0.984 46.9-144.2-161.3 165.5 -12.4 5.1 10.5 91 93 A F E +GI 66 118B 0 -25,-1.6 -25,-2.8 -2,-0.3 2,-0.3 -0.977 23.5 162.5-133.1 152.1 -12.7 1.4 11.2 92 94 A H E - I 0 117B 8 25,-2.1 25,-3.2 -2,-0.3 2,-0.3 -0.926 24.4-123.4-156.9 174.1 -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,-0.3 -0.763 1.8-152.1-125.0 164.3 -9.7 -5.1 11.4 94 96 A H E + I 0 115B 2 21,-1.5 21,-2.4 -2,-0.3 2,-0.3 -0.974 31.4 166.5-131.1 128.2 -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,-0.7 -0.864 24.7-120.7-142.0 174.6 -7.0 -10.9 11.7 96 98 A G - 0 0 0 17,-1.1 6,-0.1 5,-0.7 3,-0.1 -0.520 25.0-115.9-114.7 176.4 -4.9 -14.1 11.7 97 99 A S S S+ 0 0 45 -2,-0.2 2,-0.3 142,-0.1 5,-0.1 0.658 106.4 34.5 -82.2 -18.2 -3.5 -16.6 9.2 98 100 A L S > S- 0 0 110 3,-0.2 3,-1.6 15,-0.1 -2,-0.2 -0.918 88.5-113.3-132.2 160.2 -5.7 -19.2 10.9 99 101 A D T 3 S+ 0 0 70 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.711 109.9 67.8 -66.6 -22.2 -9.2 -19.1 12.6 100 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.409 107.9 30.6 -80.1 1.7 -7.7 -19.7 16.0 101 103 A Q < + 0 0 53 -3,-1.6 -5,-0.7 12,-0.1 -3,-0.2 -0.978 64.6 96.2-152.5 163.3 -5.9 -16.4 16.1 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.084 56.2 104.2 146.0 -34.3 -6.2 -12.8 14.9 103 105 A S - 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