==== 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) 09-DEC-94 1CCT . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.IPPOLITO,D.W.CHRISTIANSON . 255 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 22.0 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 . 3 1.2 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 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 6.3 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 5 A W 0 0 111 0, 0.0 2,-0.2 0, 0.0 7,-0.2 0.000 360.0 360.0 360.0 149.6 7.8 -1.3 11.4 2 6 A G - 0 0 12 5,-2.2 10,-0.1 2,-0.1 58,-0.1 -0.748 360.0 -83.5-164.4-152.0 5.5 -4.2 10.4 3 7 A Y S S+ 0 0 32 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.148 83.4 105.9-122.9 17.8 4.4 -7.6 11.7 4 8 A G S > S- 0 0 25 4,-0.1 4,-1.8 235,-0.0 -2,-0.1 -0.161 85.5 -91.9 -88.2-178.1 7.3 -9.9 10.5 5 9 A K T 4 S+ 0 0 170 1,-0.2 5,-0.0 2,-0.2 -1,-0.0 0.826 125.2 37.6 -61.2 -41.5 10.2 -11.6 12.4 6 10 A H T 4 S+ 0 0 164 1,-0.1 -1,-0.2 4,-0.0 0, 0.0 0.640 131.7 26.2 -89.5 -18.1 12.6 -8.7 11.8 7 11 A N T 4 S+ 0 0 65 -6,-0.1 -5,-2.2 3,-0.0 -2,-0.2 0.269 91.2 127.6-132.2 13.4 10.1 -5.8 12.2 8 12 A G S >X S- 0 0 0 -4,-1.8 3,-2.4 -7,-0.2 4,-0.6 0.151 78.4 -79.8 -60.9 177.2 7.4 -7.3 14.5 9 13 A P T 34 S+ 0 0 27 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.695 125.6 65.5 -52.7 -29.2 5.9 -5.9 17.7 10 14 A E T 34 S+ 0 0 110 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.628 106.1 45.0 -71.8 -12.0 8.8 -7.2 19.7 11 15 A H T X4 S+ 0 0 49 -3,-2.4 3,-1.5 1,-0.1 4,-0.5 0.582 86.3 90.3-104.7 -17.8 10.9 -4.7 17.8 12 16 A W G >X S+ 0 0 4 -4,-0.6 4,-3.2 -3,-0.3 3,-1.0 0.766 72.4 70.7 -58.4 -29.0 8.7 -1.6 18.0 13 17 A H G 34 S+ 0 0 70 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.723 86.7 67.7 -60.9 -24.6 10.2 -0.3 21.3 14 18 A K G <4 S+ 0 0 127 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.918 118.7 20.5 -64.1 -40.2 13.5 0.6 19.4 15 19 A D T <4 S+ 0 0 121 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.774 135.5 39.1 -98.0 -26.4 11.7 3.3 17.4 16 20 A F >< - 0 0 60 -4,-3.2 3,-2.6 1,-0.1 -1,-0.2 -0.798 64.3-177.9-129.1 85.2 8.7 3.8 19.7 17 21 A P G > S+ 0 0 99 0, 0.0 3,-1.7 0, 0.0 -4,-0.1 0.641 77.0 74.7 -53.7 -24.5 9.9 3.6 23.3 18 22 A I G > S+ 0 0 55 1,-0.3 3,-2.7 179,-0.2 -5,-0.1 0.631 71.3 90.9 -64.4 -12.2 6.3 4.1 24.6 19 23 A A G < S+ 0 0 9 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.725 91.4 41.9 -54.7 -25.5 5.9 0.5 23.5 20 24 A K G < S+ 0 0 144 -3,-1.7 -1,-0.3 -7,-0.1 -2,-0.1 0.010 95.8 127.7-114.8 32.7 6.9 -0.5 27.0 21 25 A G S < S- 0 0 14 -3,-2.7 3,-0.4 1,-0.0 -3,-0.1 0.168 73.1 -97.0 -73.3-169.9 4.9 2.2 28.7 22 26 A E S S+ 0 0 120 1,-0.2 227,-0.2 169,-0.0 -3,-0.1 0.687 113.3 38.4 -88.9 -18.6 2.3 2.0 31.5 23 27 A R S S+ 0 0 51 168,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.363 77.5 152.9-131.7 52.0 -1.0 2.0 29.5 24 28 A Q - 0 0 4 -3,-0.4 220,-0.1 221,-0.3 170,-0.1 -0.532 33.3-106.6 -79.7 149.0 -0.3 -0.2 26.4 25 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 78,-0.0 -0.861 74.4 45.0-125.8 157.3 -2.9 -2.2 24.5 26 30 A P + 0 0 0 0, 0.0 218,-3.2 0, 0.0 2,-0.3 0.617 65.1 174.8 -78.7 179.6 -4.2 -4.8 23.8 27 31 A V - 0 0 0 216,-0.3 77,-1.5 -2,-0.2 2,-0.5 -0.893 36.2 -98.3-140.7 167.9 -4.6 -6.7 27.0 28 32 A D E -a 104 0A 23 216,-0.5 2,-0.8 -2,-0.3 77,-0.2 -0.865 33.1-139.5 -94.5 127.7 -6.1 -10.0 28.3 29 33 A I E -a 105 0A 0 75,-2.8 77,-3.0 -2,-0.5 2,-0.9 -0.844 11.5-159.9 -93.9 105.3 -9.5 -9.4 29.8 30 34 A D >> - 0 0 64 -2,-0.8 4,-1.2 75,-0.2 3,-0.6 -0.828 3.7-160.8 -89.7 107.8 -9.7 -11.6 32.9 31 35 A T T 34 S+ 0 0 45 -2,-0.9 -1,-0.2 1,-0.2 222,-0.0 0.639 85.3 54.4 -69.6 -15.3 -13.4 -11.8 33.4 32 36 A H T 34 S+ 0 0 166 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.662 113.7 41.5 -89.6 -17.3 -13.2 -12.9 37.1 33 37 A T T <4 S+ 0 0 100 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.567 89.2 107.5 -98.8 -22.0 -11.1 -10.0 38.0 34 38 A A S < S- 0 0 19 -4,-1.2 2,-0.6 1,-0.1 218,-0.2 -0.376 72.0-122.6 -64.5 137.0 -13.0 -7.4 36.0 35 39 A K E -c 252 0B 121 216,-2.6 218,-2.5 -2,-0.1 2,-0.5 -0.772 7.1-136.9 -92.9 116.9 -15.0 -5.0 38.1 36 40 A Y E -c 253 0B 124 -2,-0.6 218,-0.2 216,-0.2 216,-0.0 -0.612 25.5-165.0 -63.6 119.9 -18.7 -4.7 37.7 37 41 A D > - 0 0 33 216,-2.6 3,-1.5 -2,-0.5 -1,-0.0 -0.948 14.8-167.1-118.2 107.7 -19.2 -0.9 38.0 38 42 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.704 84.6 68.1 -68.0 -20.3 -22.8 0.2 38.6 39 43 A S T 3 S+ 0 0 81 2,-0.1 2,-0.5 40,-0.0 215,-0.1 0.335 75.3 111.3 -82.2 7.4 -21.9 3.8 37.8 40 44 A L < - 0 0 30 -3,-1.5 3,-0.1 213,-0.2 213,-0.0 -0.736 60.1-147.1 -89.2 122.6 -21.3 2.9 34.1 41 45 A K - 0 0 125 37,-0.7 39,-0.1 -2,-0.5 -2,-0.1 -0.515 27.7 -86.2 -82.6 157.3 -23.9 4.3 31.8 42 46 A P - 0 0 112 0, 0.0 36,-1.7 0, 0.0 -1,-0.1 -0.210 48.3-101.5 -64.3 152.5 -25.1 2.6 28.6 43 47 A L E -D 77 0B 18 141,-0.2 2,-0.4 34,-0.2 34,-0.2 -0.486 28.9-148.6 -76.1 151.0 -23.2 3.2 25.4 44 48 A S E +D 76 0B 37 32,-2.1 32,-1.5 -2,-0.1 2,-0.7 -0.890 17.0 178.8-129.9 96.0 -24.6 5.7 22.9 45 49 A V E +D 75 0B 37 -2,-0.4 2,-0.7 30,-0.2 30,-0.2 -0.900 4.0 178.6-103.2 109.0 -24.0 4.9 19.2 46 50 A S E +D 74 0B 39 28,-3.2 28,-2.3 -2,-0.7 3,-0.1 -0.870 26.5 137.4-109.0 90.2 -25.5 7.4 16.7 47 51 A Y > + 0 0 2 -2,-0.7 3,-1.8 26,-0.2 130,-0.2 0.326 32.3 106.1-117.2 9.6 -24.5 6.3 13.3 48 52 A D T 3 S+ 0 0 98 1,-0.3 25,-0.1 -3,-0.1 -1,-0.1 0.709 88.1 44.9 -59.2 -29.9 -27.6 6.7 11.2 49 53 A Q T 3 S+ 0 0 121 23,-0.8 -1,-0.3 -3,-0.1 24,-0.1 0.101 83.7 142.4-100.1 15.0 -26.1 9.7 9.5 50 54 A A < - 0 0 24 -3,-1.8 2,-0.5 24,-0.0 18,-0.1 -0.297 35.4-158.1 -60.1 142.2 -22.7 8.2 8.9 51 55 A T - 0 0 47 16,-0.3 16,-2.6 122,-0.1 2,-0.2 -0.932 3.5-163.3-127.7 106.9 -21.0 9.0 5.6 52 56 A S E +E 66 0B 0 -2,-0.5 121,-0.7 122,-0.2 14,-0.3 -0.570 11.3 175.9 -86.6 155.6 -18.3 6.6 4.4 53 57 A L E - 0 0 76 12,-2.4 118,-2.9 1,-0.3 2,-0.3 0.601 52.7 -16.2-124.4 -46.7 -15.9 8.0 1.7 54 58 A R E -EF 65 170B 89 11,-1.1 11,-3.7 116,-0.3 2,-0.4 -0.995 41.5-132.8-164.8 169.9 -13.3 5.4 1.0 55 59 A I E +EF 64 169B 0 114,-2.2 114,-2.9 -2,-0.3 2,-0.3 -0.979 29.5 179.9-129.7 138.5 -11.4 2.3 1.8 56 60 A L E -EF 63 168B 27 7,-1.7 7,-2.5 -2,-0.4 2,-0.7 -0.977 31.2-131.1-143.4 157.6 -7.6 2.0 1.6 57 61 A N E +E 62 0B 1 110,-2.7 109,-3.8 -2,-0.3 5,-0.2 -0.936 22.9 179.7-110.5 107.1 -4.8 -0.5 2.0 58 62 A N - 0 0 30 3,-1.8 4,-0.1 -2,-0.7 -1,-0.1 0.256 55.8 -98.7 -95.2 10.4 -2.2 1.3 4.2 59 63 A G S S+ 0 0 11 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.309 118.2 51.7 90.8 -11.2 0.2 -1.6 4.2 60 64 A H S S- 0 0 52 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.442 123.8 -27.4-129.9 -11.1 -0.8 -2.9 7.7 61 65 A A S S- 0 0 3 164,-0.1 -3,-1.8 165,-0.1 -1,-0.5 -0.923 70.3 -85.5-177.8-170.9 -4.6 -3.2 7.3 62 66 A F E -E 57 0B 0 -2,-0.3 2,-0.5 29,-0.2 29,-0.5 -0.977 34.8-155.0-124.3 135.5 -7.5 -1.7 5.4 63 67 A N E -E 56 0B 22 -7,-2.5 -7,-1.7 -2,-0.4 2,-0.7 -0.883 9.8-154.2-113.1 135.0 -9.3 1.4 6.6 64 68 A V E -EG 55 89B 0 25,-2.7 25,-1.8 -2,-0.5 2,-0.3 -0.971 28.4-150.0-102.8 117.8 -12.8 2.4 5.8 65 69 A E E -EG 54 88B 47 -11,-3.7 -12,-2.4 -2,-0.7 -11,-1.1 -0.669 11.0-161.3 -97.5 146.1 -12.8 6.3 6.1 66 70 A F E -E 52 0B 9 21,-2.7 2,-0.7 -2,-0.3 -14,-0.2 -0.888 30.6-104.1-124.9 154.0 -15.7 8.5 7.2 67 71 A D + 0 0 40 -16,-2.6 -16,-0.3 -2,-0.3 3,-0.3 -0.736 38.3 175.7 -77.0 109.4 -16.4 12.2 6.9 68 72 A D + 0 0 44 -2,-0.7 -1,-0.1 1,-0.2 17,-0.1 -0.234 47.1 107.5-109.6 39.5 -15.7 13.6 10.4 69 73 A S S S+ 0 0 81 1,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.554 88.5 22.2 -90.5 -11.2 -16.2 17.3 9.5 70 74 A Q S S- 0 0 119 -3,-0.3 2,-2.1 3,-0.0 3,-0.4 -0.911 99.9 -88.0-146.0 163.3 -19.5 17.3 11.4 71 75 A D S S+ 0 0 86 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.578 75.4 131.8 -76.8 74.4 -21.1 15.1 14.2 72 76 A K S S+ 0 0 49 -2,-2.1 -23,-0.8 1,-0.4 2,-0.4 0.773 73.3 23.2 -95.5 -39.8 -22.6 12.6 11.8 73 77 A A S S+ 0 0 7 -3,-0.4 13,-2.6 13,-0.2 -1,-0.4 -0.969 85.9 164.0-131.8 108.8 -21.5 9.3 13.4 74 78 A V E -DH 46 85B 13 -28,-2.3 -28,-3.2 -2,-0.4 2,-0.4 -0.951 31.4-150.8-135.1 160.2 -20.7 9.6 17.0 75 79 A L E +DH 45 84B 0 9,-2.7 9,-2.2 -2,-0.3 2,-0.3 -0.950 29.9 147.9-124.1 136.6 -20.2 7.7 20.3 76 80 A K E +D 44 0B 78 -32,-1.5 -32,-2.1 -2,-0.4 7,-0.1 -0.865 37.0 49.9-154.9 178.4 -21.0 9.1 23.7 77 81 A G E > S+D 43 0B 25 3,-0.3 3,-1.8 -2,-0.3 -34,-0.2 -0.237 72.1 78.9 77.6-169.7 -22.2 7.7 27.1 78 82 A G T 3 S- 0 0 1 -36,-1.7 -37,-0.7 1,-0.3 -1,-0.1 -0.533 121.8 -25.7 67.7-138.1 -20.6 4.7 28.8 79 83 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.356 115.2 113.3 -84.6 -1.0 -17.4 5.7 30.5 80 84 A L < - 0 0 11 -3,-1.8 2,-0.5 -39,-0.1 -3,-0.3 -0.444 55.1-152.4 -81.4 150.2 -17.0 8.6 28.1 81 85 A D - 0 0 114 -2,-0.2 2,-0.1 53,-0.1 -1,-0.0 -0.978 66.9 -10.5-119.5 109.2 -17.2 12.4 28.7 82 86 A G S S- 0 0 47 -2,-0.5 2,-0.4 39,-0.1 -5,-0.3 -0.332 98.1 -43.5 95.5-176.2 -18.3 14.4 25.6 83 87 A T - 0 0 35 -7,-0.1 38,-2.6 -2,-0.1 2,-0.4 -0.770 42.9-162.7-102.1 132.3 -18.7 13.4 22.0 84 88 A Y E -HI 75 120B 4 -9,-2.2 -9,-2.7 -2,-0.4 2,-0.4 -0.980 13.1-141.9-116.5 125.2 -16.4 11.3 20.0 85 89 A R E -HI 74 119B 48 34,-2.4 34,-1.8 -2,-0.4 2,-0.3 -0.789 18.4-118.4 -96.2 140.5 -16.6 11.3 16.2 86 90 A L E + I 0 118B 2 -13,-2.6 32,-0.2 -2,-0.4 -13,-0.2 -0.541 37.9 166.3 -74.0 121.7 -16.1 8.2 14.1 87 91 A I E - 0 0 33 30,-2.7 -21,-2.7 1,-0.4 2,-0.3 0.747 59.8 -25.2-102.8 -48.7 -13.1 8.7 11.8 88 92 A Q E -GI 65 117B 30 29,-1.1 29,-2.8 -23,-0.2 -1,-0.4 -0.972 48.4-143.1-160.9 166.3 -12.3 5.1 10.5 89 93 A F E +GI 64 116B 0 -25,-1.8 -25,-2.7 -2,-0.3 2,-0.3 -0.970 24.0 162.3-139.1 147.1 -12.7 1.4 11.2 90 94 A H E - I 0 115B 10 25,-2.0 25,-3.2 -2,-0.3 2,-0.3 -0.913 23.0-127.1-154.6 173.1 -10.3 -1.5 10.5 91 95 A F E - I 0 114B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.2 -0.801 1.3-148.3-128.4 168.5 -9.6 -5.0 11.4 92 96 A H E + I 0 113B 4 21,-1.0 21,-2.2 -2,-0.3 2,-0.3 -0.959 30.1 173.1-131.8 127.1 -6.9 -7.3 12.7 93 97 A W E - I 0 112B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.5 -0.853 21.1-128.3-140.9 170.7 -6.9 -10.9 11.6 94 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.0 -0.548 27.2-112.8-110.0-177.1 -4.8 -14.1 11.7 95 99 A S S S+ 0 0 41 -2,-0.2 2,-0.3 142,-0.1 -1,-0.1 0.718 104.8 32.2 -84.6 -24.6 -3.6 -16.7 9.3 96 100 A L S > S- 0 0 107 3,-0.1 3,-1.5 15,-0.1 -2,-0.2 -0.886 88.7-109.9-128.1 165.5 -5.9 -19.3 10.9 97 101 A D T 3 S+ 0 0 70 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.726 110.6 70.9 -64.4 -27.9 -9.3 -19.2 12.6 98 102 A G T 3 S+ 0 0 60 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.488 106.6 24.2 -69.6 -7.6 -7.5 -19.9 15.9 99 103 A Q < + 0 0 54 -3,-1.5 -5,-0.6 12,-0.2 -3,-0.1 -0.941 65.7 100.7-151.4 167.5 -5.9 -16.4 16.2 100 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 -0.101 53.4 106.9 146.1 -40.0 -6.3 -12.8 15.0 101 105 A S - 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