==== 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 2CBD . 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) . 11811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 6.6 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 . 23 8.9 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 . 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 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 0 222 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-119.8 13.7 -0.7 9.1 2 4 A H - 0 0 112 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.586 360.0-104.8 -90.6 147.9 10.0 0.2 8.9 3 5 A W + 0 0 35 -2,-0.2 2,-0.2 1,-0.1 7,-0.2 -0.270 56.4 130.2 -65.2 155.8 7.7 -1.5 11.4 4 6 A G - 0 0 11 5,-2.5 10,-0.1 2,-0.2 -1,-0.1 -0.776 66.3 -76.3-171.1-147.7 5.3 -4.3 10.5 5 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.208 83.7 110.3-122.6 16.5 4.4 -7.8 11.6 6 8 A G S > S- 0 0 37 4,-0.1 4,-1.7 1,-0.1 3,-0.4 -0.185 83.4 -96.9 -84.3 179.8 7.3 -9.9 10.3 7 9 A K T 4 S+ 0 0 152 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.862 122.8 41.4 -64.0 -32.9 10.1 -11.6 12.2 8 10 A H T 4 S+ 0 0 164 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.636 130.4 21.8 -94.7 -10.7 12.5 -8.7 11.7 9 11 A N T 4 S+ 0 0 51 -3,-0.4 -5,-2.5 -6,-0.0 -2,-0.2 0.270 94.0 126.2-140.4 15.3 10.2 -5.7 12.2 10 12 A G S >X S- 0 0 0 -4,-1.7 3,-2.6 -7,-0.2 4,-0.6 0.138 79.3 -72.3 -74.1 179.4 7.3 -7.2 14.3 11 13 A P G >4 S+ 0 0 26 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.742 125.7 62.7 -48.5 -34.8 5.9 -6.1 17.6 12 14 A E G 34 S+ 0 0 102 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.702 107.5 45.4 -69.5 -9.8 8.9 -7.3 19.7 13 15 A H G X> S+ 0 0 46 -3,-2.6 3,-1.6 1,-0.1 4,-0.5 0.601 85.3 91.5-102.9 -15.1 11.0 -4.8 17.8 14 16 A W H XX S+ 0 0 5 -3,-0.8 4,-2.5 -4,-0.6 3,-0.9 0.815 72.5 70.2 -55.8 -31.5 8.7 -1.7 18.0 15 17 A H H 34 S+ 0 0 65 -4,-0.4 -1,-0.2 1,-0.2 7,-0.1 0.771 87.1 66.7 -58.2 -26.5 10.2 -0.4 21.2 16 18 A K H <4 S+ 0 0 136 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.891 117.9 23.6 -66.1 -35.4 13.5 0.5 19.5 17 19 A D H << S+ 0 0 109 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.728 135.7 36.4 -98.6 -24.0 11.7 3.2 17.4 18 20 A F >< - 0 0 60 -4,-2.5 3,-2.6 1,-0.1 -1,-0.2 -0.799 63.8-177.4-132.0 82.0 8.7 3.8 19.8 19 21 A P G > S+ 0 0 100 0, 0.0 3,-2.2 0, 0.0 -4,-0.1 0.724 77.2 76.1 -57.0 -25.7 9.9 3.5 23.4 20 22 A I G > S+ 0 0 59 1,-0.3 3,-2.4 179,-0.2 -5,-0.1 0.631 71.9 88.2 -61.1 -11.4 6.3 4.1 24.6 21 23 A A G < S+ 0 0 5 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.732 90.4 44.7 -56.1 -26.1 5.9 0.4 23.5 22 24 A K G < S+ 0 0 141 -3,-2.2 -1,-0.3 -7,-0.1 -2,-0.2 -0.001 94.7 131.7-104.5 26.4 7.0 -0.5 27.1 23 25 A G S < S- 0 0 16 -3,-2.4 3,-0.5 1,-0.1 -3,-0.0 0.011 70.4-106.6 -69.9 178.4 4.7 2.2 28.6 24 26 A E S S+ 0 0 119 1,-0.2 226,-0.2 225,-0.1 -1,-0.1 0.487 111.5 42.7 -87.6 -7.0 2.3 1.8 31.6 25 27 A R S S+ 0 0 49 224,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.145 78.3 149.4-139.6 54.0 -0.9 1.9 29.5 26 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.401 34.7-104.4 -91.2 152.6 -0.3 -0.2 26.4 27 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.1 -2,-0.1 -0.880 75.9 43.7-123.7 158.6 -2.9 -2.2 24.5 28 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.654 64.6 176.6 -79.8 178.5 -4.2 -4.8 23.8 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.907 36.4-100.9-133.9 167.1 -4.6 -6.7 27.1 30 32 A D E -a 106 0A 35 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.776 34.1-136.4 -85.2 133.2 -6.1 -10.0 28.2 31 33 A I E -a 107 0A 0 75,-2.8 77,-2.9 -2,-0.4 2,-0.8 -0.872 12.7-158.8 -94.8 108.9 -9.5 -9.5 29.8 32 34 A D >> - 0 0 62 -2,-0.8 4,-1.1 75,-0.2 3,-1.0 -0.843 5.0-159.4 -88.1 108.6 -9.7 -11.7 32.9 33 35 A T T 34 S+ 0 0 47 -2,-0.8 -1,-0.1 1,-0.3 222,-0.0 0.716 86.2 53.3 -65.5 -26.5 -13.5 -12.0 33.4 34 36 A H T 34 S+ 0 0 162 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.621 112.3 43.8 -86.8 -12.2 -13.3 -12.9 37.0 35 37 A T T <4 S+ 0 0 99 -3,-1.0 -2,-0.2 2,-0.1 218,-0.2 0.478 86.7 106.6-105.9 -13.5 -11.1 -9.9 38.0 36 38 A A S < S- 0 0 18 -4,-1.1 2,-0.6 216,-0.1 218,-0.2 -0.516 71.0-129.4 -66.7 137.7 -13.0 -7.3 36.0 37 39 A K E -c 254 0B 117 216,-2.2 218,-2.8 -2,-0.2 2,-0.3 -0.816 8.8-131.4 -95.7 121.1 -15.1 -5.1 38.3 38 40 A Y E -c 255 0B 77 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.550 24.8-163.1 -64.5 130.4 -18.7 -4.6 37.6 39 41 A D > - 0 0 29 216,-2.7 3,-2.0 -2,-0.3 -1,-0.1 -0.913 13.3-169.4-124.4 105.4 -19.2 -0.8 37.9 40 42 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.626 83.6 68.4 -69.5 -10.2 -22.9 0.2 38.2 41 43 A S T 3 S+ 0 0 87 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.497 76.0 104.4 -84.9 -7.0 -22.0 3.9 37.7 42 44 A L < - 0 0 27 -3,-2.0 3,-0.1 213,-0.2 -3,-0.0 -0.708 67.2-140.1 -78.6 132.9 -21.1 3.1 34.0 43 45 A K - 0 0 124 37,-1.0 2,-0.1 -2,-0.4 39,-0.1 -0.320 26.1 -90.8 -86.3 162.1 -23.8 4.3 31.6 44 46 A P - 0 0 111 0, 0.0 36,-1.8 0, 0.0 2,-0.2 -0.437 49.9-103.5 -66.9 149.3 -25.1 2.5 28.6 45 47 A L E -D 79 0B 17 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.529 26.5-147.6 -73.3 153.5 -23.2 3.3 25.4 46 48 A S E -D 78 0B 49 32,-2.7 32,-2.4 -2,-0.2 2,-0.6 -0.973 15.7-177.2-125.6 112.1 -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 -0.960 3.4-178.5-108.7 111.1 -24.0 4.8 19.2 48 50 A S E +D 76 0B 34 28,-2.9 28,-2.1 -2,-0.6 3,-0.1 -0.884 24.3 143.4-115.5 98.4 -25.6 7.3 16.7 49 51 A Y > + 0 0 3 -2,-0.7 3,-1.4 26,-0.2 130,-0.2 0.160 35.4 106.0-116.5 13.7 -24.5 6.1 13.3 50 52 A D T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.806 87.2 42.6 -65.9 -29.9 -27.7 6.8 11.3 51 53 A Q T 3 S+ 0 0 126 23,-0.8 -1,-0.3 -3,-0.1 24,-0.2 0.230 83.7 144.1 -99.2 11.2 -26.1 9.9 9.6 52 54 A A < - 0 0 22 -3,-1.4 2,-0.5 22,-0.2 18,-0.1 -0.153 33.7-160.8 -52.6 136.1 -22.7 8.1 8.9 53 55 A T - 0 0 49 16,-0.3 16,-2.8 122,-0.1 2,-0.2 -0.903 3.8-163.7-121.3 102.4 -21.0 9.1 5.6 54 56 A S E +E 68 0B 1 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.524 11.9 174.5 -81.9 151.1 -18.4 6.6 4.5 55 57 A L E - 0 0 77 12,-3.2 118,-2.3 1,-0.4 2,-0.3 0.685 50.2 -6.7-120.3 -44.6 -16.0 8.0 1.8 56 58 A R E -EF 67 172B 87 11,-1.1 11,-3.0 116,-0.3 2,-0.4 -0.990 44.1-136.2-156.3 160.9 -13.2 5.6 0.9 57 59 A I E -EF 66 171B 0 114,-2.7 114,-2.3 -2,-0.3 2,-0.4 -0.983 28.6-174.4-124.0 137.5 -11.5 2.3 1.7 58 60 A L E -EF 65 170B 30 7,-2.3 7,-2.5 -2,-0.4 2,-0.8 -0.995 27.2-141.9-135.5 141.3 -7.6 2.2 1.7 59 61 A N E +E 64 0B 0 110,-2.8 109,-3.0 -2,-0.4 5,-0.2 -0.867 22.8 179.8 -93.9 112.0 -4.9 -0.4 2.0 60 62 A N - 0 0 32 3,-1.9 4,-0.1 -2,-0.8 -1,-0.1 0.250 53.5 -99.7 -98.7 10.1 -2.3 1.4 4.1 61 63 A G S S+ 0 0 12 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.312 117.3 54.0 93.6 -12.9 0.1 -1.6 4.2 62 64 A H S S- 0 0 47 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.496 123.8 -27.7-126.5 -21.5 -0.8 -2.8 7.7 63 65 A A S S- 0 0 2 164,-0.1 -3,-1.9 -5,-0.1 -1,-0.6 -0.874 70.6 -89.9-166.4-169.4 -4.6 -3.1 7.4 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 29,-0.2 2,-0.4 -0.984 36.1-156.4-120.0 133.4 -7.5 -1.7 5.4 65 67 A N E -E 58 0B 18 -7,-2.5 -7,-2.3 -2,-0.4 2,-0.6 -0.947 10.1-152.2-108.8 136.8 -9.3 1.4 6.7 66 68 A V E -EG 57 91B 0 25,-2.6 25,-1.8 -2,-0.4 2,-0.3 -0.938 28.2-151.8 -97.5 124.1 -12.8 2.4 5.8 67 69 A E E -EG 56 90B 48 -11,-3.0 -12,-3.2 -2,-0.6 -11,-1.1 -0.731 10.0-160.0-104.4 147.1 -12.8 6.2 6.3 68 70 A F E -E 54 0B 8 21,-2.6 2,-0.7 -2,-0.3 -14,-0.2 -0.839 31.4-100.3-120.3 156.2 -15.7 8.5 7.2 69 71 A D + 0 0 40 -16,-2.8 -16,-0.3 -2,-0.3 5,-0.2 -0.695 40.3 173.7 -75.2 118.5 -16.5 12.2 6.9 70 72 A D + 0 0 43 -2,-0.7 -1,-0.1 1,-0.2 17,-0.1 -0.124 45.2 109.5-115.9 30.3 -15.7 13.5 10.4 71 73 A S S S+ 0 0 78 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.568 88.2 17.5 -82.8 -9.7 -16.2 17.3 9.5 72 74 A Q S S- 0 0 116 -3,-0.2 2,-2.2 3,-0.1 3,-0.4 -0.914 101.0 -80.3-150.7 167.6 -19.4 17.4 11.6 73 75 A D S S+ 0 0 89 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.400 77.2 128.7 -75.2 69.9 -21.2 15.3 14.2 74 76 A K S S+ 0 0 48 -2,-2.2 -23,-0.8 1,-0.3 2,-0.5 0.870 74.4 21.7 -92.1 -48.7 -22.6 12.7 11.8 75 77 A A S S+ 0 0 5 -3,-0.4 13,-2.7 -6,-0.2 2,-0.3 -0.970 85.2 166.1-125.2 109.6 -21.6 9.3 13.4 76 78 A V E -DH 48 87B 9 -28,-2.1 -28,-2.9 -2,-0.5 2,-0.4 -0.919 30.0-150.9-130.6 159.2 -20.8 9.7 17.1 77 79 A L E +DH 47 86B 0 9,-2.9 9,-2.4 -2,-0.3 2,-0.3 -0.967 28.9 151.6-123.1 135.6 -20.3 7.7 20.2 78 80 A K E +D 46 0B 70 -32,-2.4 -32,-2.7 -2,-0.4 7,-0.1 -0.920 37.2 43.3-150.5 178.7 -21.1 9.0 23.7 79 81 A G E > S+D 45 0B 20 5,-0.4 3,-2.6 3,-0.3 -34,-0.3 -0.392 71.1 86.2 79.9-158.3 -22.1 7.6 27.1 80 82 A G T 3 S- 0 0 1 -36,-1.8 -37,-1.0 1,-0.3 -1,-0.1 -0.361 120.8 -27.3 60.7-137.1 -20.5 4.6 28.5 81 83 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.318 115.7 112.4 -89.5 6.4 -17.4 5.7 30.4 82 84 A L < - 0 0 13 -3,-2.6 2,-0.5 -39,-0.1 -3,-0.3 -0.598 53.4-155.9 -89.8 152.1 -17.0 8.8 28.1 83 85 A D + 0 0 130 -2,-0.2 2,-0.1 53,-0.1 -3,-0.0 -0.984 68.8 1.0-115.3 123.8 -17.4 12.5 28.8 84 86 A G S S- 0 0 47 -2,-0.5 2,-0.4 39,-0.1 -5,-0.4 -0.452 97.7 -51.2 96.7-177.7 -18.2 14.4 25.6 85 87 A T - 0 0 33 -2,-0.1 38,-2.5 -7,-0.1 2,-0.5 -0.895 40.4-161.2-110.7 132.9 -18.8 13.4 22.0 86 88 A Y E -HI 77 122B 5 -9,-2.4 -9,-2.9 -2,-0.4 2,-0.4 -0.970 12.2-145.3-116.5 127.7 -16.5 11.3 20.0 87 89 A R E -HI 76 121B 44 34,-2.4 34,-1.9 -2,-0.5 2,-0.3 -0.746 19.2-117.0 -95.4 136.8 -16.8 11.3 16.2 88 90 A L E + I 0 120B 2 -13,-2.7 32,-0.2 -2,-0.4 -13,-0.2 -0.537 37.6 166.4 -69.4 128.4 -16.1 8.2 14.0 89 91 A I E - 0 0 34 30,-2.6 -21,-2.6 1,-0.4 2,-0.3 0.689 60.3 -21.7-110.1 -40.7 -13.1 8.7 11.7 90 92 A Q E -GI 67 119B 32 29,-1.2 29,-2.8 -23,-0.2 -1,-0.4 -0.989 47.3-145.0-161.8 162.1 -12.4 5.1 10.5 91 93 A F E +GI 66 118B 0 -25,-1.8 -25,-2.6 -2,-0.3 2,-0.3 -0.968 23.5 164.3-129.2 156.0 -12.8 1.4 11.2 92 94 A H E - I 0 117B 23 25,-1.9 25,-3.1 -2,-0.3 2,-0.3 -0.914 22.9-128.9-156.5 171.5 -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 -0.864 0.4-148.3-124.2 167.8 -9.7 -5.0 11.4 94 96 A H E + I 0 115B 3 21,-1.9 21,-2.5 -2,-0.3 2,-0.3 -0.969 31.7 171.0-131.7 134.3 -6.9 -7.2 12.7 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.6 -0.931 22.6-120.5-147.5 170.2 -6.9 -10.9 11.6 96 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.6 3,-0.1 -0.501 23.1-121.5-110.2 175.1 -5.0 -14.1 11.6 97 99 A S S S+ 0 0 44 -2,-0.2 2,-0.3 142,-0.1 5,-0.1 0.601 104.7 32.0 -83.0 -19.5 -3.6 -16.6 9.2 98 100 A L S > S- 0 0 108 3,-0.2 3,-1.7 15,-0.1 -2,-0.2 -0.944 90.2-110.0-132.7 159.3 -5.8 -19.3 10.9 99 101 A D T 3 S+ 0 0 70 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.682 110.1 66.8 -66.4 -17.9 -9.2 -19.1 12.6 100 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.340 106.9 32.4 -88.3 8.7 -7.7 -19.7 16.0 101 103 A Q < + 0 0 51 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.2 -0.968 64.9 96.2-152.5 166.3 -5.9 -16.3 16.2 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 -0.007 56.5 103.2 142.7 -35.1 -6.3 -12.8 14.9 103 105 A S - 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