==== 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) 21-OCT-92 1CRA . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.MANGANI,A.LILJAS . 259 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 21.6 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 13.9 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 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 2 A S 0 0 66 0, 0.0 2,-0.4 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0-142.1 13.6 -3.2 11.9 2 3 A H + 0 0 177 8,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.894 360.0 5.6 134.9-113.7 13.6 -0.5 9.2 3 4 A H S S- 0 0 115 -2,-0.4 2,-0.1 1,-0.1 0, 0.0 -0.620 95.2-108.9 -94.9 154.7 9.9 0.2 8.9 4 5 A W + 0 0 30 -2,-0.3 2,-0.2 -3,-0.1 7,-0.2 -0.308 54.5 131.4 -71.0 157.2 7.7 -1.5 11.4 5 6 A G - 0 0 11 5,-2.5 10,-0.1 2,-0.2 -1,-0.1 -0.755 66.1 -77.3-169.7-149.1 5.4 -4.3 10.5 6 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.176 83.3 112.9-120.9 16.8 4.4 -7.7 11.6 7 8 A G S > S- 0 0 37 4,-0.1 4,-1.7 1,-0.1 3,-0.4 -0.261 82.3-100.6 -82.8-179.9 7.3 -9.8 10.3 8 9 A K T 4 S+ 0 0 151 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.837 123.0 42.1 -63.9 -35.4 10.0 -11.6 12.2 9 10 A H T 4 S+ 0 0 153 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.625 130.1 21.4 -92.4 -13.3 12.4 -8.8 11.6 10 11 A N T 4 S+ 0 0 45 -3,-0.4 -5,-2.5 -9,-0.1 -2,-0.2 0.288 94.0 126.9-140.9 19.0 10.2 -5.7 12.2 11 12 A G S >X S- 0 0 0 -4,-1.7 3,-2.4 -7,-0.2 4,-0.5 0.189 78.8 -71.9 -76.2-176.9 7.3 -7.1 14.3 12 13 A P G >4 S+ 0 0 24 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.764 125.2 62.6 -52.0 -35.9 5.8 -6.1 17.6 13 14 A E G 34 S+ 0 0 102 1,-0.3 3,-0.1 2,-0.1 -5,-0.0 0.693 107.7 45.5 -68.8 -9.4 8.9 -7.3 19.7 14 15 A H G X> S+ 0 0 38 -3,-2.4 3,-1.5 1,-0.1 4,-0.5 0.561 85.1 91.7 -99.0 -16.5 11.0 -4.8 17.9 15 16 A W H XX S+ 0 0 4 -3,-1.2 4,-2.6 -4,-0.5 3,-1.0 0.814 71.8 70.1 -54.4 -36.8 8.8 -1.7 18.1 16 17 A H H 34 S+ 0 0 65 -4,-0.4 -1,-0.2 1,-0.2 7,-0.1 0.803 87.1 67.5 -56.8 -22.6 10.2 -0.4 21.3 17 18 A K H <4 S+ 0 0 119 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.905 117.5 22.7 -67.5 -36.2 13.4 0.5 19.5 18 19 A D H << S+ 0 0 94 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.703 136.2 37.1 -95.6 -27.1 11.7 3.3 17.4 19 20 A F >< - 0 0 60 -4,-2.6 3,-2.5 1,-0.1 -1,-0.2 -0.794 64.6-178.1-129.8 82.2 8.7 3.8 19.8 20 21 A P G > S+ 0 0 100 0, 0.0 3,-2.1 0, 0.0 -4,-0.1 0.745 76.1 76.2 -59.2 -24.9 9.9 3.5 23.4 21 22 A I G > S+ 0 0 58 1,-0.3 3,-2.3 179,-0.2 -5,-0.1 0.654 71.2 88.4 -61.7 -11.8 6.3 4.1 24.6 22 23 A A G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.745 89.7 45.9 -51.3 -28.4 5.8 0.5 23.6 23 24 A K G < S+ 0 0 139 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.1 0.029 94.8 133.3-104.4 21.7 7.0 -0.5 27.1 24 25 A G S < S- 0 0 16 -3,-2.3 3,-0.5 1,-0.1 -3,-0.0 -0.019 70.0-107.0 -64.6 178.2 4.7 2.1 28.6 25 26 A E S S+ 0 0 119 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.485 111.9 40.2 -88.5 -12.9 2.3 1.9 31.6 26 27 A R S S+ 0 0 47 224,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.177 79.0 149.4-134.4 53.7 -0.9 1.9 29.6 27 28 A Q - 0 0 3 -3,-0.5 220,-0.1 221,-0.3 170,-0.1 -0.395 34.4-104.6 -89.3 151.0 -0.3 -0.2 26.5 28 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.1 -2,-0.1 -0.893 75.4 44.6-121.5 161.3 -2.9 -2.2 24.6 29 30 A P + 0 0 0 0, 0.0 218,-2.9 0, 0.0 2,-0.3 0.653 64.6 177.2 -81.6-178.1 -4.2 -4.7 23.8 30 31 A V - 0 0 1 216,-0.3 77,-1.1 -2,-0.2 2,-0.4 -0.895 35.8-101.3-133.5 163.4 -4.6 -6.7 27.1 31 32 A D E -a 107 0A 34 216,-0.4 2,-0.7 -2,-0.3 77,-0.2 -0.769 34.6-136.4 -82.6 134.2 -6.1 -10.0 28.2 32 33 A I E -a 108 0A 0 75,-2.9 77,-3.0 -2,-0.4 2,-0.8 -0.870 12.8-158.7 -96.5 106.9 -9.6 -9.5 29.8 33 34 A D >> - 0 0 62 -2,-0.7 4,-1.1 75,-0.2 3,-0.9 -0.860 3.6-160.1 -85.0 113.2 -9.7 -11.6 32.9 34 35 A T T 34 S+ 0 0 47 -2,-0.8 -1,-0.1 1,-0.3 222,-0.0 0.751 85.6 53.7 -71.2 -20.7 -13.5 -12.0 33.4 35 36 A H T 34 S+ 0 0 161 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.631 113.1 43.1 -92.6 -8.6 -13.3 -12.9 37.0 36 37 A T T <4 S+ 0 0 101 -3,-0.9 218,-0.2 2,-0.1 -2,-0.2 0.513 85.5 106.3-110.9 -12.6 -11.2 -9.9 37.9 37 38 A A S < S- 0 0 19 -4,-1.1 2,-0.6 216,-0.1 218,-0.2 -0.471 71.5-127.9 -65.4 138.5 -13.0 -7.3 35.9 38 39 A K E -c 255 0B 119 216,-2.4 218,-2.8 -2,-0.2 2,-0.3 -0.816 9.6-131.2 -95.3 121.7 -15.1 -5.1 38.3 39 40 A Y E -c 256 0B 78 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.514 24.5-164.2 -62.6 128.2 -18.7 -4.6 37.6 40 41 A D > - 0 0 28 216,-2.8 3,-2.0 -2,-0.3 -1,-0.1 -0.894 14.1-170.2-123.9 106.7 -19.3 -0.8 37.9 41 42 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.611 83.5 69.7 -73.7 -6.2 -23.0 0.2 38.2 42 43 A S T 3 S+ 0 0 84 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.518 75.6 101.3 -85.8 -9.9 -22.0 3.8 37.7 43 44 A L < - 0 0 28 -3,-2.0 3,-0.1 213,-0.2 38,-0.0 -0.707 69.1-138.1 -79.3 137.8 -21.1 3.2 34.0 44 45 A K - 0 0 126 37,-0.9 39,-0.1 -2,-0.4 -2,-0.1 -0.350 26.4 -90.4 -87.1 158.5 -23.9 4.3 31.6 45 46 A P - 0 0 110 0, 0.0 36,-2.1 0, 0.0 2,-0.2 -0.377 50.6-104.3 -61.8 149.3 -25.1 2.5 28.5 46 47 A L E -D 80 0B 17 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.596 25.5-146.3 -74.1 154.9 -23.2 3.3 25.4 47 48 A S E -D 79 0B 47 32,-2.9 32,-2.5 -2,-0.2 2,-0.6 -0.973 16.0-176.8-124.7 108.1 -24.9 5.6 22.9 48 49 A V E -D 78 0B 34 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.953 1.8-178.0-104.3 109.2 -23.9 4.8 19.3 49 50 A S E +D 77 0B 37 28,-3.2 28,-2.1 -2,-0.6 3,-0.2 -0.848 25.3 141.4-114.3 92.3 -25.5 7.3 16.7 50 51 A Y > + 0 0 3 -2,-0.6 3,-1.3 26,-0.2 130,-0.2 0.166 33.9 106.1-114.8 16.5 -24.5 6.1 13.3 51 52 A D T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.834 87.3 43.3 -70.3 -21.8 -27.6 6.8 11.3 52 53 A Q T 3 S+ 0 0 124 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.249 83.6 143.9-106.9 15.2 -26.1 9.8 9.6 53 54 A A < - 0 0 22 -3,-1.3 2,-0.5 22,-0.2 18,-0.1 -0.170 34.7-159.1 -51.8 136.1 -22.7 8.2 8.9 54 55 A T - 0 0 49 16,-0.3 16,-3.0 122,-0.1 2,-0.2 -0.883 4.1-163.0-121.4 104.8 -21.0 9.1 5.6 55 56 A S E +E 69 0B 0 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.496 12.3 174.2 -81.3 150.9 -18.4 6.6 4.4 56 57 A L E - 0 0 79 12,-3.0 118,-2.2 1,-0.4 2,-0.3 0.667 49.7 -6.3-122.4 -44.8 -16.0 7.9 1.8 57 58 A R E -EF 68 173B 86 11,-1.1 11,-2.7 116,-0.3 2,-0.4 -0.992 44.8-136.0-158.0 156.5 -13.2 5.6 0.9 58 59 A I E -EF 67 172B 0 114,-2.8 114,-2.3 -2,-0.3 2,-0.4 -0.985 28.6-174.6-121.8 137.3 -11.5 2.3 1.6 59 60 A L E -EF 66 171B 30 7,-2.3 7,-2.5 -2,-0.4 2,-0.7 -0.993 27.8-142.2-137.6 139.2 -7.7 2.3 1.6 60 61 A N E -E 65 0B 0 110,-2.8 109,-2.7 -2,-0.4 5,-0.2 -0.893 22.8-179.3 -92.8 108.3 -5.0 -0.5 2.0 61 62 A N - 0 0 30 3,-2.1 4,-0.1 -2,-0.7 -1,-0.1 0.237 53.2-100.6 -95.4 9.2 -2.3 1.4 4.2 62 63 A G S S+ 0 0 11 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.307 117.1 54.4 91.7 -9.9 0.1 -1.5 4.2 63 64 A H S S- 0 0 45 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.472 124.0 -27.7-126.1 -18.1 -0.9 -2.7 7.7 64 65 A A - 0 0 2 164,-0.1 -3,-2.1 165,-0.1 -1,-0.6 -0.922 69.8 -91.4-167.8-170.4 -4.6 -3.1 7.4 65 66 A F E -E 60 0B 0 29,-0.3 29,-0.5 -2,-0.3 2,-0.5 -0.983 35.7-158.9-122.1 131.3 -7.5 -1.6 5.4 66 67 A N E -E 59 0B 19 -7,-2.5 -7,-2.3 -2,-0.4 2,-0.6 -0.926 11.2-150.2-109.1 138.9 -9.3 1.3 6.7 67 68 A V E -EG 58 92B 0 25,-2.7 25,-1.8 -2,-0.5 2,-0.3 -0.938 27.9-151.0 -97.4 126.3 -12.9 2.4 5.8 68 69 A E E -EG 57 91B 50 -11,-2.7 -12,-3.0 -2,-0.6 -11,-1.1 -0.740 9.7-158.7-107.1 148.2 -12.8 6.2 6.3 69 70 A F E -E 55 0B 8 21,-2.4 2,-0.7 -2,-0.3 -14,-0.2 -0.803 31.5 -99.7-121.7 154.9 -15.8 8.5 7.2 70 71 A D + 0 0 39 -16,-3.0 -16,-0.3 -2,-0.3 5,-0.3 -0.703 40.8 173.9 -75.3 117.8 -16.5 12.1 6.8 71 72 A D + 0 0 43 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 -0.045 45.1 109.2-115.5 27.4 -15.7 13.6 10.4 72 73 A S S S+ 0 0 78 56,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.544 88.6 16.6 -79.4 -3.6 -16.2 17.3 9.6 73 74 A Q S S- 0 0 116 -3,-0.2 2,-2.0 3,-0.1 3,-0.4 -0.942 100.0 -79.3-156.0 168.5 -19.4 17.3 11.6 74 75 A D S S+ 0 0 88 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.406 76.8 127.3 -75.4 69.2 -21.2 15.3 14.2 75 76 A K S S+ 0 0 50 -2,-2.0 -23,-0.8 1,-0.3 2,-0.5 0.876 75.3 22.4 -91.6 -52.4 -22.6 12.7 11.8 76 77 A A S S+ 0 0 6 -3,-0.4 13,-2.8 -6,-0.2 2,-0.3 -0.972 84.8 163.9-124.2 109.7 -21.6 9.4 13.4 77 78 A V E -DH 49 88B 8 -28,-2.1 -28,-3.2 -2,-0.5 2,-0.4 -0.913 30.3-150.7-130.9 157.9 -20.8 9.7 17.1 78 79 A L E +DH 48 87B 0 9,-3.1 9,-2.3 -2,-0.3 2,-0.3 -0.962 28.8 151.2-123.2 137.2 -20.3 7.7 20.2 79 80 A K E +D 47 0B 70 -32,-2.5 -32,-2.9 -2,-0.4 7,-0.1 -0.941 36.6 44.9-151.1 178.0 -21.1 9.0 23.6 80 81 A G E > S+D 46 0B 22 5,-0.4 3,-2.5 3,-0.3 -34,-0.3 -0.422 70.9 85.5 83.5-157.2 -22.1 7.7 27.0 81 82 A G T 3 S- 0 0 1 -36,-2.1 -37,-0.9 1,-0.3 -1,-0.1 -0.308 121.4 -26.6 58.6-134.4 -20.5 4.6 28.5 82 83 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.363 116.1 110.5 -89.7 4.6 -17.4 5.8 30.4 83 84 A L < - 0 0 12 -3,-2.5 2,-0.5 -39,-0.1 -3,-0.3 -0.599 54.0-155.1 -90.2 150.7 -17.0 8.8 28.1 84 85 A D + 0 0 134 -2,-0.2 2,-0.1 53,-0.1 -3,-0.0 -0.971 68.5 1.0-114.1 125.2 -17.5 12.4 28.7 85 86 A G S S- 0 0 46 -2,-0.5 2,-0.5 38,-0.1 -5,-0.4 -0.391 97.2 -50.1 94.0-177.6 -18.3 14.4 25.6 86 87 A T - 0 0 32 -7,-0.1 38,-2.7 -2,-0.1 2,-0.5 -0.872 40.4-162.6-110.5 132.0 -18.8 13.4 22.0 87 88 A Y E -HI 78 123B 4 -9,-2.3 -9,-3.1 -2,-0.5 2,-0.4 -0.961 11.5-145.2-120.3 126.8 -16.5 11.3 19.9 88 89 A R E -HI 77 122B 44 34,-2.4 34,-1.9 -2,-0.5 2,-0.3 -0.741 19.3-119.0 -92.1 134.6 -16.7 11.3 16.1 89 90 A L E + I 0 121B 2 -13,-2.8 32,-0.3 -2,-0.4 -13,-0.2 -0.511 35.9 168.3 -70.3 134.5 -16.1 8.2 14.1 90 91 A I E - 0 0 32 30,-2.6 -21,-2.4 1,-0.4 2,-0.3 0.687 59.5 -21.0-113.1 -37.0 -13.2 8.7 11.7 91 92 A Q E -GI 68 120B 32 29,-1.3 29,-2.9 -23,-0.2 -1,-0.4 -0.996 48.2-145.7-166.0 158.2 -12.4 5.2 10.4 92 93 A F E +GI 67 119B 0 -25,-1.8 -25,-2.7 -2,-0.3 2,-0.3 -0.976 22.9 162.7-128.6 158.7 -12.8 1.4 11.1 93 94 A H E - I 0 118B 23 25,-2.0 25,-3.0 -2,-0.3 2,-0.3 -0.911 23.6-125.9-162.3 168.5 -10.4 -1.4 10.4 94 95 A F E - I 0 117B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.904 1.0-149.9-120.5 165.8 -9.7 -5.0 11.3 95 96 A H E + I 0 116B 2 21,-1.9 21,-2.4 -2,-0.3 2,-0.3 -0.974 31.4 168.3-128.1 137.8 -6.9 -7.2 12.7 96 97 A W E - I 0 115B 0 -2,-0.4 146,-1.4 19,-0.2 145,-0.8 -0.935 23.3-116.7-148.6 174.4 -6.9 -10.9 11.7 97 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.447 23.3-121.5-112.8 175.9 -5.0 -14.0 11.6 98 99 A S S S+ 0 0 44 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.567 104.6 29.9 -84.3 -13.0 -3.5 -16.6 9.2 99 100 A L S > S- 0 0 108 3,-0.2 3,-1.7 15,-0.1 -2,-0.2 -0.949 89.4-109.4-139.2 158.2 -5.8 -19.2 10.9 100 101 A D T 3 S+ 0 0 71 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.714 109.5 67.2 -67.2 -16.6 -9.1 -19.1 12.6 101 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.363 107.7 32.6 -87.4 8.2 -7.7 -19.7 16.1 102 103 A Q < + 0 0 49 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.2 -0.975 63.3 97.6-151.9 168.8 -5.9 -16.3 16.1 103 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.074 56.2 105.1 143.3 -35.3 -6.3 -12.9 14.9 104 105 A S - 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