==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE (OXO-ACID) 24-JUL-96 1UGA . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.R.SCOLNICK,D.W.CHRISTIANSON . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 21.8 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 . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.8 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 . 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 3 A H 0 0 238 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-144.1 13.1 -0.4 8.0 2 4 A H - 0 0 108 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.167 360.0 -94.0 -59.1 152.0 9.4 0.6 8.5 3 5 A W + 0 0 38 1,-0.1 2,-0.2 2,-0.1 7,-0.2 -0.339 58.9 140.9 -67.6 153.1 7.4 -1.2 11.2 4 6 A G - 0 0 8 5,-2.9 10,-0.1 2,-0.2 58,-0.1 -0.782 60.0 -88.1-162.9-155.4 5.3 -4.2 10.4 5 7 A Y S S+ 0 0 33 -2,-0.2 5,-0.2 5,-0.2 2,-0.1 0.223 81.7 110.2-121.5 14.6 4.4 -7.6 11.8 6 8 A G S >> S- 0 0 34 1,-0.1 4,-1.6 4,-0.1 3,-1.1 -0.473 85.5 -98.5 -87.3 164.8 7.2 -9.7 10.4 7 9 A K T 34 S+ 0 0 139 1,-0.3 -1,-0.1 2,-0.2 5,-0.0 0.748 122.8 43.4 -53.7 -28.1 9.9 -11.3 12.5 8 10 A H T 34 S+ 0 0 166 1,-0.1 -1,-0.3 5,-0.0 -3,-0.0 0.686 130.7 20.6 -96.0 -14.2 12.3 -8.5 11.6 9 11 A N T <4 S+ 0 0 57 -3,-1.1 -5,-2.9 -6,-0.1 -2,-0.2 0.084 98.0 127.6-136.2 19.3 10.0 -5.5 12.0 10 12 A G S >X S- 0 0 0 -4,-1.6 3,-2.8 -5,-0.2 4,-0.7 -0.141 79.8 -79.0 -76.3 176.1 7.4 -7.0 14.2 11 13 A P G >4 S+ 0 0 22 0, 0.0 3,-0.5 0, 0.0 4,-0.5 0.722 125.0 64.7 -42.6 -34.6 5.8 -5.9 17.6 12 14 A E G 34 S+ 0 0 92 1,-0.2 -2,-0.1 2,-0.1 -7,-0.0 0.412 107.0 41.7 -75.6 -0.2 8.9 -7.2 19.4 13 15 A H G X4 S+ 0 0 38 -3,-2.8 3,-1.9 2,-0.1 4,-0.4 0.485 87.3 93.0-119.5 -12.9 11.1 -4.7 17.8 14 16 A W G XX S+ 0 0 6 -4,-0.7 4,-3.0 -3,-0.5 3,-1.9 0.853 72.4 70.2 -52.8 -39.8 8.7 -1.6 18.0 15 17 A H G 34 S+ 0 0 63 -4,-0.5 -1,-0.3 1,-0.3 7,-0.1 0.742 87.5 67.1 -52.1 -27.0 10.2 -0.4 21.2 16 18 A K G <4 S+ 0 0 131 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.819 117.2 21.7 -67.7 -32.1 13.4 0.6 19.4 17 19 A D T <4 S+ 0 0 125 -3,-1.9 -2,-0.2 -4,-0.4 -1,-0.2 0.701 133.8 41.3-103.9 -26.2 11.7 3.3 17.4 18 20 A F >< - 0 0 61 -4,-3.0 3,-2.5 1,-0.1 -1,-0.2 -0.767 62.4-177.6-125.9 84.8 8.8 3.9 19.8 19 21 A P G > S+ 0 0 100 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.750 77.9 76.5 -50.7 -27.8 10.0 3.7 23.4 20 22 A I G > S+ 0 0 59 1,-0.3 3,-1.9 179,-0.2 -5,-0.1 0.665 72.4 86.6 -60.9 -13.9 6.3 4.2 24.5 21 23 A A G < S+ 0 0 7 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.781 89.6 46.2 -58.0 -30.1 6.0 0.5 23.5 22 24 A K G < S+ 0 0 141 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.1 -0.166 94.8 132.5-104.6 37.1 7.1 -0.5 27.0 23 25 A G < - 0 0 16 -3,-1.9 3,-0.4 1,-0.1 -3,-0.0 -0.100 69.7-105.1 -80.1-176.0 4.8 2.1 28.7 24 26 A E S S+ 0 0 119 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.540 111.5 36.5 -87.6 -16.1 2.4 1.9 31.6 25 27 A R S S+ 0 0 44 224,-0.1 -1,-0.2 168,-0.1 2,-0.1 -0.272 79.5 153.5-134.2 54.1 -0.9 1.8 29.6 26 28 A Q - 0 0 3 -3,-0.4 220,-0.2 221,-0.3 170,-0.1 -0.458 34.2-102.1 -82.4 150.0 -0.2 -0.2 26.5 27 29 A S S S+ 0 0 0 168,-0.4 2,-0.1 -2,-0.1 -2,-0.0 -0.866 76.7 42.8-121.1 157.2 -2.9 -2.1 24.5 28 30 A P + 0 0 0 0, 0.0 218,-3.0 0, 0.0 2,-0.3 0.624 63.7 173.1 -86.1-177.1 -4.1 -4.7 23.9 29 31 A V - 0 0 1 216,-0.3 77,-1.4 -2,-0.1 2,-0.5 -0.847 36.9 -99.8-140.5 172.1 -4.5 -6.8 27.1 30 32 A D E -a 106 0A 30 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.873 34.1-138.2 -97.0 128.7 -6.1 -10.0 28.2 31 33 A I E -a 107 0A 0 75,-3.2 77,-2.9 -2,-0.5 2,-0.9 -0.815 10.7-159.6 -94.4 106.9 -9.4 -9.5 29.8 32 34 A D >> - 0 0 67 -2,-0.9 4,-0.9 75,-0.2 3,-0.8 -0.821 3.8-161.8 -84.8 106.8 -9.7 -11.6 32.9 33 35 A T T 34 S+ 0 0 47 -2,-0.9 -1,-0.2 1,-0.2 222,-0.0 0.714 83.9 59.2 -64.1 -23.0 -13.5 -11.7 33.3 34 36 A H T 34 S+ 0 0 154 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.723 112.7 36.8 -81.7 -21.0 -13.3 -12.9 37.0 35 37 A T T <4 S+ 0 0 101 -3,-0.8 -2,-0.2 2,-0.1 2,-0.2 0.480 88.0 110.7-106.6 -6.8 -11.3 -9.9 38.1 36 38 A A S < S- 0 0 18 -4,-0.9 2,-0.5 216,-0.1 218,-0.2 -0.511 71.3-126.4 -66.8 135.2 -13.0 -7.3 35.9 37 39 A K E -c 254 0B 121 216,-2.6 218,-2.9 -2,-0.2 2,-0.6 -0.764 8.7-132.9 -93.1 123.9 -15.0 -5.0 38.3 38 40 A Y E -c 255 0B 116 -2,-0.5 218,-0.2 216,-0.2 151,-0.0 -0.654 23.4-160.7 -71.9 118.8 -18.7 -4.6 37.5 39 41 A D > - 0 0 31 216,-2.8 3,-1.6 -2,-0.6 -1,-0.1 -0.871 11.6-169.9-108.3 104.3 -19.1 -0.8 37.8 40 42 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.662 82.0 68.0 -65.2 -17.9 -22.8 0.0 38.3 41 43 A S T 3 S+ 0 0 72 2,-0.0 2,-0.4 40,-0.0 215,-0.1 0.343 75.1 113.3 -84.4 6.6 -22.2 3.7 37.8 42 44 A L < - 0 0 30 -3,-1.6 3,-0.1 213,-0.2 213,-0.0 -0.688 63.7-135.5 -81.7 133.0 -21.4 3.1 34.1 43 45 A K - 0 0 128 37,-1.2 39,-0.1 -2,-0.4 3,-0.1 -0.394 27.9 -96.1 -81.6 157.8 -23.8 4.6 31.6 44 46 A P - 0 0 112 0, 0.0 36,-1.7 0, 0.0 2,-0.2 -0.367 47.9 -98.7 -69.7 159.8 -25.1 2.6 28.6 45 47 A L E -D 79 0B 18 141,-0.3 2,-0.6 34,-0.2 34,-0.2 -0.582 29.8-152.2 -78.9 143.8 -23.3 3.2 25.3 46 48 A S E -D 78 0B 50 32,-2.9 32,-2.5 -2,-0.2 2,-0.5 -0.966 14.5-177.8-120.0 111.7 -24.9 5.7 22.9 47 49 A V E -D 77 0B 35 -2,-0.6 2,-0.5 30,-0.2 30,-0.2 -0.960 5.9-177.4-112.1 121.5 -24.0 4.9 19.3 48 50 A S E +D 76 0B 32 28,-2.7 28,-2.0 -2,-0.5 3,-0.2 -0.814 26.3 141.4-122.7 87.3 -25.4 7.3 16.7 49 51 A Y > + 0 0 3 -2,-0.5 3,-1.7 26,-0.2 130,-0.2 0.293 36.6 106.6-107.3 6.3 -24.4 6.1 13.3 50 52 A D T 3 S+ 0 0 93 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.696 87.8 37.7 -61.6 -22.8 -27.6 6.9 11.4 51 53 A Q T 3 S+ 0 0 131 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.073 85.3 146.8-115.2 23.0 -26.1 9.8 9.5 52 54 A A < - 0 0 25 -3,-1.7 2,-0.4 22,-0.2 123,-0.1 -0.251 33.2-156.4 -59.5 146.2 -22.6 8.2 9.0 53 55 A T - 0 0 51 16,-0.2 16,-2.6 122,-0.1 2,-0.2 -0.838 4.0-162.7-133.3 97.1 -20.8 9.2 5.8 54 56 A S E +E 68 0B 2 -2,-0.4 121,-0.6 122,-0.3 14,-0.3 -0.559 13.1 172.1 -79.4 140.8 -18.2 6.8 4.4 55 57 A L E - 0 0 76 12,-3.2 118,-2.9 1,-0.3 2,-0.3 0.803 52.0 -5.2-112.0 -55.4 -15.7 8.1 1.9 56 58 A R E -EF 67 172B 95 11,-0.9 11,-3.1 116,-0.3 2,-0.4 -0.926 44.1-141.0-147.5 162.6 -12.9 5.7 1.0 57 59 A I E -EF 66 171B 0 114,-2.2 114,-2.1 -2,-0.3 2,-0.4 -0.992 27.4-172.6-126.1 134.1 -11.2 2.4 1.8 58 60 A L E -EF 65 170B 35 7,-2.3 7,-2.4 -2,-0.4 2,-0.8 -0.986 28.2-140.9-136.9 141.9 -7.5 2.1 1.7 59 61 A N E +E 64 0B 0 110,-2.8 109,-2.8 -2,-0.4 5,-0.2 -0.864 22.8 179.5 -94.4 110.9 -4.8 -0.6 2.0 60 62 A N - 0 0 35 3,-2.5 -1,-0.1 -2,-0.8 4,-0.1 0.350 53.2-101.4 -95.1 5.3 -2.1 1.1 4.1 61 63 A G S S+ 0 0 6 2,-0.3 3,-0.1 166,-0.2 106,-0.1 0.463 118.1 55.7 89.7 1.5 0.3 -1.8 4.1 62 64 A H S S- 0 0 16 1,-0.7 2,-0.3 -58,-0.1 166,-0.1 0.544 125.5 -37.0-127.5 -44.3 -0.7 -3.0 7.6 63 65 A F S S- 0 0 11 -5,-0.1 -3,-2.5 165,-0.1 -1,-0.7 -0.895 70.7 -83.9-165.5-175.7 -4.4 -3.4 7.2 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 -5,-0.2 2,-0.4 -0.863 34.1-152.5-109.4 144.1 -7.2 -1.6 5.3 65 67 A N E -E 58 0B 17 -7,-2.4 -7,-2.3 -2,-0.4 2,-0.6 -0.954 9.1-155.8-118.1 133.6 -9.1 1.5 6.6 66 68 A V E -EG 57 91B 0 25,-2.1 25,-1.7 -2,-0.4 2,-0.4 -0.936 27.6-154.2-101.5 121.2 -12.7 2.6 5.8 67 69 A E E -EG 56 90B 40 -11,-3.1 -12,-3.2 -2,-0.6 -11,-0.9 -0.846 7.3-156.6-105.0 143.1 -12.6 6.3 6.4 68 70 A F E -E 54 0B 8 21,-2.5 2,-1.1 -2,-0.4 -14,-0.2 -0.699 29.8 -99.7-114.4 162.7 -15.6 8.6 7.3 69 71 A D + 0 0 43 -16,-2.6 3,-0.4 -2,-0.2 5,-0.3 -0.707 40.8 172.6 -82.2 101.9 -16.4 12.2 7.0 70 72 A D + 0 0 42 -2,-1.1 -1,-0.1 1,-0.2 17,-0.1 -0.047 46.5 105.3-102.5 34.5 -15.7 13.6 10.4 71 73 A S S S+ 0 0 76 1,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.599 89.3 24.1 -85.3 -14.1 -16.2 17.3 9.6 72 74 A Q S S- 0 0 123 -3,-0.4 2,-2.5 3,-0.0 3,-0.4 -0.932 100.3 -86.8-143.5 165.4 -19.5 17.3 11.4 73 75 A D S S+ 0 0 84 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.425 76.3 131.0 -76.2 68.5 -21.1 15.3 14.2 74 76 A K S S+ 0 0 45 -2,-2.5 -23,-0.8 -5,-0.3 2,-0.6 0.924 72.4 21.1 -85.2 -58.6 -22.5 12.7 11.8 75 77 A A S S+ 0 0 7 -3,-0.4 13,-2.9 -6,-0.2 2,-0.3 -0.957 84.9 167.4-117.6 111.0 -21.5 9.4 13.4 76 78 A V E -DH 48 87B 10 -28,-2.0 -28,-2.7 -2,-0.6 2,-0.4 -0.864 30.3-146.9-128.8 161.0 -20.8 9.7 17.1 77 79 A L E +DH 47 86B 0 9,-2.5 9,-1.8 -2,-0.3 2,-0.3 -0.986 29.5 154.7-125.4 131.1 -20.2 7.7 20.3 78 80 A K E +D 46 0B 64 -32,-2.5 -32,-2.9 -2,-0.4 7,-0.1 -0.888 35.6 36.4-143.5 177.0 -21.3 9.0 23.7 79 81 A G E > S+D 45 0B 25 5,-0.3 3,-2.0 -2,-0.3 -34,-0.2 -0.319 72.5 83.3 74.6-160.2 -22.2 7.6 27.2 80 82 A G T 3 S- 0 0 6 -36,-1.7 -37,-1.2 1,-0.3 -1,-0.1 -0.461 120.3 -24.8 64.2-130.8 -20.6 4.6 28.8 81 83 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.446 115.1 112.3 -90.9 -3.0 -17.3 5.7 30.5 82 84 A L < - 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