==== 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 1CCU . 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) . 11479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.1 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 . 1 0.4 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 9.0 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 . 15 5.9 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 5 A W 0 0 116 0, 0.0 2,-0.2 0, 0.0 7,-0.2 0.000 360.0 360.0 360.0 147.8 7.7 -1.5 11.3 2 6 A G - 0 0 12 5,-2.3 10,-0.1 2,-0.2 58,-0.1 -0.711 360.0 -87.3-164.0-151.2 5.5 -4.4 10.5 3 7 A Y S S+ 0 0 30 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.034 83.5 109.3-130.6 20.2 4.4 -7.8 11.9 4 8 A G S > S- 0 0 23 4,-0.1 4,-1.4 235,-0.0 -2,-0.2 -0.234 85.7 -92.1 -89.3 178.5 7.2 -9.9 10.5 5 9 A K T 4 S+ 0 0 159 1,-0.2 5,-0.0 2,-0.2 -1,-0.0 0.763 124.0 37.7 -59.3 -39.8 10.1 -11.6 12.2 6 10 A H T 4 S+ 0 0 161 1,-0.1 -1,-0.2 5,-0.0 0, 0.0 0.570 131.0 25.8 -95.7 -14.9 12.5 -8.7 11.7 7 11 A N T 4 S+ 0 0 63 -3,-0.1 -5,-2.3 -6,-0.1 -2,-0.2 0.238 92.5 126.8-133.4 10.7 10.1 -5.7 12.2 8 12 A G S >< S- 0 0 0 -4,-1.4 3,-2.4 -7,-0.2 4,-0.5 0.164 79.0 -76.3 -64.3 180.0 7.4 -7.2 14.4 9 13 A P T 3 S+ 0 0 26 0, 0.0 3,-0.4 0, 0.0 4,-0.4 0.671 125.9 64.2 -55.1 -23.7 5.9 -6.0 17.7 10 14 A E T 3 S+ 0 0 104 1,-0.2 -2,-0.1 2,-0.1 -5,-0.0 0.561 106.7 44.8 -76.6 -9.9 8.9 -7.3 19.6 11 15 A H S X> S+ 0 0 53 -3,-2.4 3,-1.2 1,-0.1 4,-0.5 0.432 84.7 90.9-110.9 -8.8 10.9 -4.7 17.8 12 16 A W H >> S+ 0 0 4 -4,-0.5 4,-3.0 -3,-0.4 3,-1.1 0.836 71.6 73.3 -60.8 -33.4 8.7 -1.6 18.0 13 17 A H H 34 S+ 0 0 71 -4,-0.4 -1,-0.2 1,-0.2 7,-0.1 0.737 87.1 65.2 -54.5 -26.0 10.3 -0.3 21.3 14 18 A K H <4 S+ 0 0 126 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.892 118.8 21.5 -67.2 -40.6 13.5 0.8 19.4 15 19 A D H << S+ 0 0 128 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.755 135.0 40.1 -99.5 -24.7 11.7 3.4 17.3 16 20 A F >< - 0 0 61 -4,-3.0 3,-2.6 1,-0.1 -1,-0.2 -0.792 64.9-178.5-125.9 84.2 8.7 3.9 19.6 17 21 A P G > S+ 0 0 99 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.718 76.3 73.9 -52.9 -23.3 10.0 3.8 23.2 18 22 A I G > + 0 0 60 1,-0.3 3,-2.8 179,-0.2 -5,-0.1 0.593 68.3 95.9 -67.4 -13.3 6.5 4.2 24.5 19 23 A A G < S+ 0 0 8 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.644 90.9 39.4 -52.6 -19.6 5.9 0.5 23.5 20 24 A K G < S+ 0 0 139 -3,-1.3 -1,-0.3 -7,-0.1 -2,-0.1 -0.032 92.8 130.4-122.9 36.1 6.7 -0.4 27.1 21 25 A G S < S- 0 0 15 -3,-2.8 3,-0.4 1,-0.1 -3,-0.0 0.100 73.3 -94.5 -71.3-167.2 4.9 2.5 28.7 22 26 A E S S+ 0 0 117 1,-0.2 227,-0.2 169,-0.0 -1,-0.1 0.605 115.7 39.8 -90.9 -19.4 2.4 2.2 31.5 23 27 A R S S+ 0 0 48 168,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.221 76.3 152.4-128.1 49.0 -0.9 2.0 29.5 24 28 A Q - 0 0 3 -3,-0.4 220,-0.1 221,-0.2 170,-0.1 -0.423 32.9-119.0 -77.7 148.2 -0.1 -0.2 26.5 25 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.1 78,-0.1 -0.862 70.7 57.4-126.9 163.7 -2.8 -2.2 24.8 26 30 A P + 0 0 0 0, 0.0 218,-2.9 0, 0.0 2,-0.3 0.621 64.1 174.6 -78.7 176.0 -4.1 -4.7 23.9 27 31 A V - 0 0 1 216,-0.3 77,-1.4 -2,-0.2 2,-0.4 -0.866 35.7 -98.3-141.3 167.8 -4.5 -6.8 27.1 28 32 A D E -a 104 0A 29 216,-0.5 2,-0.7 -2,-0.3 77,-0.2 -0.779 34.4-135.6 -87.8 135.1 -6.1 -10.0 28.2 29 33 A I E -a 105 0A 0 75,-2.8 77,-3.1 -2,-0.4 2,-0.9 -0.868 11.5-160.8-101.0 114.0 -9.5 -9.6 29.8 30 34 A D >> - 0 0 62 -2,-0.7 4,-1.6 75,-0.2 3,-0.5 -0.849 2.9-162.5 -90.0 109.7 -9.8 -11.7 33.0 31 35 A T T 34 S+ 0 0 50 -2,-0.9 -1,-0.2 1,-0.2 222,-0.0 0.666 87.4 53.6 -70.7 -17.6 -13.6 -11.9 33.4 32 36 A H T 34 S+ 0 0 166 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.752 114.1 40.0 -87.7 -24.1 -13.2 -12.9 37.1 33 37 A T T <4 S+ 0 0 99 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.1 0.629 89.6 106.8 -93.8 -26.3 -11.1 -10.0 38.0 34 38 A A S < S- 0 0 18 -4,-1.6 2,-0.7 1,-0.1 218,-0.2 -0.339 72.5-122.5 -61.3 133.7 -12.9 -7.3 36.0 35 39 A K E -c 252 0B 115 216,-2.9 218,-2.5 -2,-0.1 2,-0.4 -0.722 8.2-137.9 -91.6 114.2 -14.9 -5.0 38.1 36 40 A Y E -c 253 0B 122 -2,-0.7 218,-0.2 216,-0.2 151,-0.0 -0.558 24.4-163.0 -65.1 113.9 -18.6 -4.6 37.7 37 41 A D > - 0 0 31 216,-2.8 3,-1.4 -2,-0.4 -1,-0.1 -0.935 15.1-163.2-112.9 113.4 -19.2 -0.9 38.0 38 42 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.693 85.9 67.2 -61.9 -21.7 -22.8 0.2 38.6 39 43 A S T 3 S+ 0 0 73 2,-0.1 2,-0.5 40,-0.0 215,-0.1 0.308 72.9 111.6 -84.2 6.1 -22.0 3.8 37.7 40 44 A L < - 0 0 29 -3,-1.4 3,-0.1 213,-0.2 213,-0.0 -0.719 59.6-146.3 -84.7 124.7 -21.3 3.0 34.0 41 45 A K - 0 0 126 37,-0.7 39,-0.1 -2,-0.5 3,-0.1 -0.499 29.9 -85.3 -84.8 161.5 -23.9 4.4 31.7 42 46 A P - 0 0 106 0, 0.0 36,-1.7 0, 0.0 2,-0.2 -0.228 48.3-103.6 -63.6 153.5 -25.1 2.6 28.5 43 47 A L E -D 77 0B 15 141,-0.3 2,-0.5 34,-0.2 34,-0.2 -0.550 30.0-148.9 -76.0 153.4 -23.1 3.2 25.4 44 48 A S E -D 76 0B 39 32,-2.4 32,-1.7 -2,-0.2 2,-0.6 -0.923 15.0-175.6-126.0 100.6 -24.8 5.6 23.0 45 49 A V E -D 75 0B 38 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.925 4.5-178.4-103.0 110.1 -24.0 4.9 19.3 46 50 A S E +D 74 0B 35 28,-2.8 28,-2.3 -2,-0.6 3,-0.1 -0.895 28.5 135.6-106.7 92.8 -25.4 7.4 16.7 47 51 A Y > + 0 0 3 -2,-0.7 3,-1.7 26,-0.2 130,-0.2 0.340 34.2 102.9-120.2 8.2 -24.5 6.2 13.3 48 52 A D T 3 S+ 0 0 90 1,-0.3 25,-0.1 128,-0.1 -1,-0.1 0.734 88.3 47.9 -63.2 -26.7 -27.6 6.6 11.2 49 53 A Q T 3 S+ 0 0 116 23,-0.7 -1,-0.3 -3,-0.1 24,-0.2 0.193 84.6 138.8 -98.7 11.4 -26.1 9.8 9.7 50 54 A A < - 0 0 24 -3,-1.7 2,-0.4 22,-0.1 123,-0.1 -0.198 36.1-159.8 -65.6 143.7 -22.8 8.3 8.8 51 55 A T - 0 0 48 16,-0.3 16,-1.9 122,-0.1 2,-0.2 -0.917 2.0-161.3-131.2 110.0 -21.0 9.0 5.6 52 56 A S E +E 66 0B 0 -2,-0.4 121,-0.5 122,-0.2 14,-0.2 -0.513 10.6 177.4 -86.1 153.7 -18.2 6.6 4.3 53 57 A L E - 0 0 73 12,-2.0 118,-2.9 1,-0.4 2,-0.3 0.624 53.8 -19.8-122.4 -50.9 -15.9 8.0 1.7 54 58 A R E -EF 65 170B 89 11,-0.9 11,-2.6 116,-0.3 2,-0.4 -0.984 42.3-131.1-163.8 170.8 -13.3 5.4 0.9 55 59 A I E +EF 64 169B 0 114,-2.4 114,-2.3 -2,-0.3 2,-0.3 -0.986 30.7 179.1-129.0 133.4 -11.4 2.3 1.8 56 60 A L E -EF 63 168B 30 7,-2.1 7,-2.7 -2,-0.4 2,-0.7 -0.976 30.8-131.1-142.7 155.9 -7.7 2.0 1.6 57 61 A N E +E 62 0B 0 110,-2.4 109,-3.4 -2,-0.3 5,-0.2 -0.944 21.5 178.9-106.6 107.8 -4.8 -0.4 2.1 58 62 A N - 0 0 35 3,-1.9 4,-0.1 -2,-0.7 -1,-0.1 0.314 56.9 -97.9 -93.6 10.0 -2.1 1.3 4.2 59 63 A G S S+ 0 0 13 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.212 119.2 54.4 94.4 -11.1 0.2 -1.7 4.3 60 64 A H S S- 0 0 51 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.428 122.0 -34.0-127.0 -11.3 -0.8 -2.9 7.8 61 65 A A - 0 0 3 164,-0.1 -3,-1.9 165,-0.1 -1,-0.5 -0.964 68.4 -77.6 176.4-172.6 -4.6 -3.2 7.2 62 66 A F E -E 57 0B 0 -2,-0.3 2,-0.4 29,-0.3 29,-0.4 -0.956 36.7-160.2-122.1 129.5 -7.6 -1.8 5.4 63 67 A N E -E 56 0B 14 -7,-2.7 -7,-2.1 -2,-0.5 2,-0.7 -0.899 12.3-158.7-107.2 134.2 -9.3 1.3 6.6 64 68 A V E -EG 55 89B 0 25,-2.5 25,-1.7 -2,-0.4 2,-0.3 -0.964 25.9-157.1-107.9 116.2 -12.8 2.5 5.8 65 69 A E E -EG 54 88B 50 -11,-2.6 -12,-2.0 -2,-0.7 -11,-0.9 -0.679 6.7-159.7 -96.4 153.0 -12.7 6.3 6.4 66 70 A F E -E 52 0B 7 21,-2.5 2,-0.6 -2,-0.3 -14,-0.2 -0.865 31.9 -97.7-128.1 156.4 -15.7 8.5 7.2 67 71 A D + 0 0 42 -16,-1.9 -16,-0.3 -2,-0.3 3,-0.3 -0.717 39.2 176.8 -73.9 111.0 -16.3 12.3 6.9 68 72 A D + 0 0 40 -2,-0.6 -1,-0.1 1,-0.2 3,-0.1 -0.385 48.1 107.8-115.1 40.8 -15.7 13.6 10.5 69 73 A S S S+ 0 0 79 1,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.543 87.9 24.8 -91.2 -16.3 -16.1 17.3 9.6 70 74 A Q S S- 0 0 114 -3,-0.3 2,-2.4 3,-0.0 3,-0.4 -0.940 100.1 -87.7-142.0 163.2 -19.5 17.3 11.4 71 75 A D S S+ 0 0 84 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.484 77.3 129.9 -71.8 73.0 -21.1 15.3 14.3 72 76 A K S S+ 0 0 46 -2,-2.4 -23,-0.7 1,-0.3 2,-0.5 0.827 72.3 21.9 -94.6 -45.9 -22.5 12.6 11.9 73 77 A A S S+ 0 0 6 -3,-0.4 13,-3.4 13,-0.2 -1,-0.3 -0.957 86.4 166.9-127.3 103.0 -21.4 9.3 13.4 74 78 A V E -DH 46 85B 12 -28,-2.3 -28,-2.8 -2,-0.5 2,-0.4 -0.849 30.5-151.1-127.9 158.8 -20.7 9.7 17.0 75 79 A L E +DH 45 84B 0 9,-2.6 9,-2.5 -2,-0.3 2,-0.3 -0.977 30.2 149.0-123.3 135.8 -20.1 7.7 20.2 76 80 A K E +D 44 0B 79 -32,-1.7 -32,-2.4 -2,-0.4 7,-0.1 -0.929 35.0 44.7-154.5 177.9 -21.0 9.0 23.7 77 81 A G E > S+D 43 0B 25 5,-0.3 3,-1.7 -2,-0.3 -34,-0.2 -0.335 71.9 82.2 76.5-165.9 -22.2 7.8 27.1 78 82 A G T 3 S- 0 0 11 -36,-1.7 -37,-0.7 1,-0.3 -1,-0.1 -0.468 121.1 -25.9 63.7-137.8 -20.6 4.8 28.8 79 83 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.361 116.0 111.0 -79.4 -3.0 -17.4 5.8 30.5 80 84 A L < - 0 0 14 -3,-1.7 2,-0.5 -39,-0.1 -3,-0.3 -0.512 55.0-154.9 -82.1 148.3 -17.0 8.7 28.1 81 85 A D - 0 0 128 -2,-0.2 2,-0.1 53,-0.1 -3,-0.0 -0.995 66.1 -4.4-117.5 121.6 -17.3 12.3 28.8 82 86 A G S S- 0 0 48 -2,-0.5 2,-0.4 39,-0.1 -5,-0.3 -0.236 99.1 -43.5 86.1 176.7 -18.2 14.5 25.7 83 87 A T - 0 0 38 -7,-0.1 38,-2.9 -2,-0.1 2,-0.5 -0.724 43.2-162.5 -94.2 132.0 -18.7 13.6 22.0 84 88 A Y E -HI 75 120B 4 -9,-2.5 -9,-2.6 -2,-0.4 2,-0.5 -0.937 12.4-143.1-117.1 127.1 -16.4 11.3 20.0 85 89 A R E -HI 74 119B 44 34,-2.8 34,-1.7 -2,-0.5 2,-0.2 -0.792 17.2-121.4 -94.3 128.7 -16.5 11.3 16.2 86 90 A L E + I 0 118B 2 -13,-3.4 32,-0.3 -2,-0.5 -13,-0.2 -0.522 38.0 165.2 -64.2 127.1 -16.1 8.2 14.1 87 91 A I E - 0 0 36 30,-2.5 -21,-2.5 1,-0.4 2,-0.3 0.702 60.2 -20.7-111.9 -42.0 -13.1 8.8 11.8 88 92 A Q E -GI 65 117B 36 29,-1.3 29,-2.6 -23,-0.3 -1,-0.4 -0.976 48.1-145.1-164.6 165.1 -12.3 5.2 10.5 89 93 A F E +GI 64 116B 0 -25,-1.7 -25,-2.5 -2,-0.3 2,-0.3 -0.962 24.9 159.1-137.5 151.0 -12.8 1.4 11.2 90 94 A H E - I 0 115B 24 25,-1.7 25,-2.7 -2,-0.3 2,-0.3 -0.924 24.0-127.4-158.5 178.2 -10.3 -1.5 10.5 91 95 A F E - I 0 114B 1 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.3 -0.885 2.1-146.5-136.2 168.8 -9.6 -5.0 11.5 92 96 A H E + I 0 113B 6 21,-1.5 21,-2.3 -2,-0.3 2,-0.3 -0.978 31.9 168.6-130.4 126.3 -6.9 -7.3 12.8 93 97 A W E - I 0 112B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.4 -0.853 22.2-124.3-142.8 173.8 -6.9 -10.9 11.7 94 98 A G - 0 0 0 17,-1.1 6,-0.1 5,-0.5 128,-0.1 -0.582 26.9-114.0-113.7 174.1 -4.9 -14.1 11.6 95 99 A S S S+ 0 0 41 -2,-0.2 2,-0.3 142,-0.1 5,-0.1 0.718 106.0 28.0 -76.6 -26.5 -3.5 -16.7 9.2 96 100 A L S > S- 0 0 111 3,-0.2 3,-1.0 15,-0.1 -2,-0.2 -0.831 87.9-108.5-129.5 173.7 -5.8 -19.2 10.9 97 101 A D T 3 S+ 0 0 70 -2,-0.3 48,-0.2 1,-0.2 15,-0.1 0.681 109.1 69.6 -76.9 -17.2 -9.1 -19.1 12.7 98 102 A G T 3 S+ 0 0 61 13,-0.1 2,-0.3 2,-0.1 11,-0.2 0.407 107.2 29.8 -79.3 -4.9 -7.4 -19.8 16.1 99 103 A Q < + 0 0 58 -3,-1.0 -5,-0.5 12,-0.1 -3,-0.2 -0.977 66.9 96.9-151.6 156.8 -5.8 -16.4 16.2 100 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 -0.033 54.4 102.0 151.9 -41.9 -6.4 -12.8 15.0 101 105 A S - 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