==== 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 24-JUL-96 1UGC . 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) . 11805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 22.2 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 . 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 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 2 2 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 0 224 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.3 13.4 -0.4 8.6 2 4 A H - 0 0 160 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.370 360.0-105.9 -67.8 144.2 9.7 0.3 8.6 3 5 A W + 0 0 53 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.258 55.2 137.0 -67.7 157.3 7.7 -1.5 11.4 4 6 A G - 0 0 7 5,-2.8 10,-0.1 2,-0.2 -1,-0.1 -0.785 62.8 -80.9-168.2-148.9 5.5 -4.5 10.5 5 7 A Y S S+ 0 0 36 -2,-0.2 5,-0.2 5,-0.2 2,-0.2 0.112 82.8 110.9-127.3 21.5 4.5 -7.9 11.8 6 8 A G S >> S- 0 0 37 1,-0.1 4,-1.9 4,-0.0 3,-0.6 -0.496 84.2 -98.8 -92.9 167.9 7.5 -10.0 10.5 7 9 A K T 34 S+ 0 0 148 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.799 123.2 42.0 -54.4 -30.4 10.2 -11.6 12.5 8 10 A H T 34 S+ 0 0 144 1,-0.1 -1,-0.2 5,-0.0 -5,-0.0 0.741 130.3 20.8 -95.1 -17.2 12.5 -8.7 11.7 9 11 A N T <4 S+ 0 0 55 -3,-0.6 -5,-2.8 -6,-0.0 -2,-0.2 0.153 96.3 124.4-134.9 17.7 10.2 -5.7 12.2 10 12 A G S >X S- 0 0 5 -4,-1.9 3,-3.2 -5,-0.2 4,-0.9 -0.016 80.4 -70.3 -76.0-179.2 7.4 -7.2 14.3 11 13 A P T 34 S+ 0 0 29 0, 0.0 4,-0.4 0, 0.0 3,-0.4 0.730 127.2 60.8 -41.0 -35.5 5.9 -6.2 17.7 12 14 A E T 34 S+ 0 0 140 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.629 107.7 44.7 -73.1 -11.5 9.0 -7.3 19.6 13 15 A H T X> S+ 0 0 48 -3,-3.2 3,-1.8 1,-0.1 4,-0.5 0.624 86.1 92.1-104.7 -17.0 11.1 -4.7 17.8 14 16 A W H >X S+ 0 0 4 -4,-0.9 4,-2.7 -3,-0.4 3,-1.0 0.799 73.0 68.0 -50.6 -36.2 8.7 -1.7 18.0 15 17 A H H 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.759 88.7 65.7 -58.4 -28.1 10.2 -0.3 21.2 16 18 A K H <4 S+ 0 0 129 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.905 117.9 24.8 -64.3 -37.0 13.5 0.6 19.5 17 19 A D H << S+ 0 0 115 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.701 135.4 35.1 -97.2 -23.9 11.6 3.2 17.3 18 20 A F >< - 0 0 58 -4,-2.7 3,-2.5 1,-0.1 -1,-0.2 -0.782 65.5-174.0-132.4 85.8 8.7 3.8 19.7 19 21 A P G > S+ 0 0 99 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.774 78.9 75.7 -51.2 -27.3 9.9 3.6 23.3 20 22 A I G > + 0 0 56 1,-0.3 3,-2.8 2,-0.2 -5,-0.1 0.660 69.7 88.2 -63.5 -9.8 6.3 4.0 24.5 21 23 A A G < S+ 0 0 8 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.727 92.2 45.5 -58.8 -23.0 5.9 0.4 23.4 22 24 A K G < S+ 0 0 141 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.049 94.9 130.0-106.6 22.5 7.1 -0.4 27.0 23 25 A G S < S- 0 0 16 -3,-2.8 3,-0.4 1,-0.1 -3,-0.0 0.090 70.7-102.0 -68.5-172.9 4.8 2.2 28.5 24 26 A E S S+ 0 0 124 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.602 111.4 36.1 -88.0 -19.4 2.4 2.1 31.5 25 27 A R S S+ 0 0 48 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.384 79.8 154.4-133.6 57.4 -1.0 1.9 29.6 26 28 A Q - 0 0 4 -3,-0.4 220,-0.2 221,-0.3 170,-0.1 -0.536 31.7-102.3 -86.6 151.0 -0.3 -0.2 26.5 27 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.867 76.6 43.3-124.4 161.1 -2.9 -2.3 24.6 28 30 A P + 0 0 0 0, 0.0 218,-3.1 0, 0.0 2,-0.3 0.613 64.4 177.5 -82.5 177.8 -4.1 -4.8 23.9 29 31 A V - 0 0 1 216,-0.3 77,-1.1 -2,-0.2 2,-0.4 -0.883 34.8-102.7-135.1 162.7 -4.6 -6.7 27.2 30 32 A D E -a 106 0A 35 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.752 33.8-135.3 -86.0 136.6 -6.1 -10.0 28.2 31 33 A I E -a 107 0A 0 75,-3.3 77,-3.2 -2,-0.4 2,-1.0 -0.844 12.7-159.6 -98.8 107.1 -9.5 -9.5 29.8 32 34 A D >> - 0 0 67 -2,-0.8 3,-1.3 75,-0.2 4,-1.1 -0.788 4.0-160.1 -85.5 104.7 -9.8 -11.7 32.9 33 35 A T T 34 S+ 0 0 45 -2,-1.0 -1,-0.2 1,-0.2 222,-0.0 0.724 86.5 53.0 -60.8 -24.0 -13.5 -11.9 33.4 34 36 A H T 34 S+ 0 0 167 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.664 112.3 44.0 -87.3 -13.4 -13.3 -12.9 37.1 35 37 A T T <4 S+ 0 0 105 -3,-1.3 -2,-0.2 2,-0.1 2,-0.2 0.513 86.8 108.2-105.4 -10.8 -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 -0.487 71.4-125.4 -69.4 137.4 -13.1 -7.3 36.0 37 39 A K E -c 254 0B 111 216,-2.5 218,-2.2 -2,-0.2 2,-0.4 -0.751 11.2-135.3 -92.6 116.2 -15.0 -5.0 38.3 38 40 A Y E -c 255 0B 124 -2,-0.6 218,-0.2 216,-0.2 151,-0.0 -0.550 22.1-162.7 -65.0 124.0 -18.7 -4.6 37.7 39 41 A D > - 0 0 33 216,-2.5 3,-2.0 -2,-0.4 -1,-0.1 -0.889 12.1-169.6-116.8 102.0 -19.3 -0.9 37.9 40 42 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.576 84.4 65.3 -65.3 -11.4 -23.1 -0.1 38.4 41 43 A S T 3 S+ 0 0 86 2,-0.1 2,-0.3 0, 0.0 215,-0.1 0.473 73.8 112.9 -90.1 -3.9 -22.4 3.6 37.7 42 44 A L < - 0 0 33 -3,-2.0 3,-0.1 213,-0.2 38,-0.1 -0.565 63.9-137.7 -70.1 127.2 -21.4 2.9 34.1 43 45 A K - 0 0 141 37,-0.9 39,-0.1 -2,-0.3 -1,-0.1 -0.405 27.2 -90.6 -82.1 158.7 -24.0 4.4 31.8 44 46 A P - 0 0 115 0, 0.0 36,-2.4 0, 0.0 2,-0.2 -0.359 48.0-103.9 -66.5 154.5 -25.2 2.6 28.7 45 47 A L E -D 79 0B 18 34,-0.3 2,-0.5 141,-0.3 34,-0.2 -0.564 26.6-149.2 -76.7 148.0 -23.3 3.3 25.4 46 48 A S E -D 78 0B 48 32,-3.3 32,-2.2 -2,-0.2 2,-0.6 -0.956 14.6-177.6-123.9 108.9 -24.8 5.6 22.9 47 49 A V E -D 77 0B 34 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.940 1.7-177.8-107.8 111.6 -23.9 4.8 19.3 48 50 A S E +D 76 0B 41 28,-3.0 28,-2.1 -2,-0.6 3,-0.2 -0.789 25.3 141.7-113.8 88.8 -25.3 7.4 16.8 49 51 A Y > + 0 0 2 -2,-0.7 3,-1.7 26,-0.2 130,-0.2 0.265 33.4 107.9-109.4 9.2 -24.4 6.2 13.3 50 52 A D T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.813 85.6 41.9 -60.1 -29.4 -27.5 7.0 11.4 51 53 A Q T 3 S+ 0 0 132 23,-1.0 -1,-0.3 -3,-0.2 24,-0.1 0.017 83.8 146.2-106.9 28.4 -25.9 9.9 9.5 52 54 A A < - 0 0 21 -3,-1.7 2,-0.4 1,-0.0 123,-0.1 -0.327 31.4-161.5 -66.1 143.7 -22.6 8.2 8.8 53 55 A T - 0 0 44 16,-0.3 16,-2.8 122,-0.1 2,-0.2 -0.886 2.3-164.6-131.7 100.1 -20.8 9.1 5.6 54 56 A S E +E 68 0B 0 -2,-0.4 121,-0.6 122,-0.3 14,-0.3 -0.565 10.6 175.3 -79.5 149.7 -18.1 6.7 4.4 55 57 A L E - 0 0 79 12,-2.9 118,-3.1 1,-0.4 2,-0.3 0.730 52.4 -2.1-119.9 -54.1 -15.7 8.0 1.7 56 58 A R E -EF 67 172B 88 11,-0.8 11,-2.8 116,-0.3 2,-0.4 -0.948 45.2-141.4-142.7 165.1 -12.9 5.6 0.9 57 59 A I E -EF 66 171B 0 114,-2.4 114,-2.3 -2,-0.3 2,-0.4 -0.971 29.8-175.8-127.3 136.0 -11.3 2.3 1.7 58 60 A L E -EF 65 170B 34 7,-2.2 7,-2.5 -2,-0.4 2,-0.7 -0.997 27.5-141.2-141.5 140.7 -7.5 2.1 1.6 59 61 A N E -E 64 0B 0 110,-2.8 109,-2.9 -2,-0.4 5,-0.2 -0.876 19.5-178.4 -98.7 116.8 -4.8 -0.6 2.1 60 62 A N - 0 0 35 3,-2.0 4,-0.1 -2,-0.7 -1,-0.1 0.270 54.1 -98.0-100.2 10.2 -1.9 1.1 4.0 61 63 A G S S+ 0 0 8 2,-0.3 106,-0.1 166,-0.3 3,-0.1 0.355 118.0 51.3 90.3 -4.6 0.5 -1.9 4.0 62 64 A H S S- 0 0 36 1,-0.7 2,-0.3 -58,-0.1 -1,-0.1 0.596 123.3 -22.6-126.4 -49.3 -0.6 -3.0 7.5 63 65 A H S S- 0 0 10 -5,-0.1 -3,-2.0 165,-0.1 -1,-0.7 -0.819 71.7 -96.0-149.4-176.7 -4.4 -3.3 7.6 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 29,-0.2 2,-0.4 -0.936 33.4-152.9-114.3 139.6 -7.2 -1.7 5.5 65 67 A N E -EG 58 92B 18 -7,-2.5 -7,-2.2 -2,-0.4 2,-0.6 -0.928 11.5-155.8-112.7 139.3 -9.1 1.4 6.6 66 68 A V E -EG 57 91B 0 25,-2.2 25,-1.4 -2,-0.4 2,-0.3 -0.970 27.7-153.2-108.2 116.8 -12.6 2.5 5.8 67 69 A E E -EG 56 90B 58 -11,-2.8 -12,-2.9 -2,-0.6 -11,-0.8 -0.778 7.7-157.6 -99.3 143.8 -12.5 6.3 6.3 68 70 A F E -E 54 0B 8 21,-2.6 2,-0.9 -2,-0.3 -14,-0.2 -0.830 29.3-102.8-118.9 155.4 -15.5 8.6 7.2 69 71 A D + 0 0 38 -16,-2.8 3,-0.3 -2,-0.3 -16,-0.3 -0.673 40.5 174.0 -75.4 108.1 -16.3 12.2 6.9 70 72 A D + 0 0 43 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 -0.114 44.6 108.5-108.1 34.1 -15.7 13.5 10.4 71 73 A S S S+ 0 0 80 1,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.615 88.0 20.7 -84.0 -12.7 -16.2 17.3 9.7 72 74 A Q S S- 0 0 118 -3,-0.3 2,-2.5 3,-0.0 3,-0.4 -0.943 101.5 -81.4-146.0 165.8 -19.5 17.3 11.6 73 75 A D S S+ 0 0 86 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.430 76.3 132.6 -72.3 75.1 -21.2 15.1 14.2 74 76 A K S S+ 0 0 52 -2,-2.5 -23,-1.0 1,-0.3 2,-0.4 0.820 75.7 16.0 -93.1 -44.7 -22.4 12.6 11.7 75 77 A A S S+ 0 0 4 -3,-0.4 13,-2.6 13,-0.2 -1,-0.3 -0.935 85.2 166.9-133.2 107.0 -21.5 9.3 13.4 76 78 A V E -DH 48 87B 8 -28,-2.1 -28,-3.0 -2,-0.4 2,-0.4 -0.870 27.7-148.1-127.7 163.9 -20.7 9.7 17.1 77 79 A L E +DH 47 86B 0 9,-2.5 9,-2.5 -2,-0.3 2,-0.3 -0.955 30.3 145.6-125.9 138.2 -20.2 7.7 20.2 78 80 A K E +D 46 0B 72 -32,-2.2 -32,-3.3 -2,-0.4 2,-0.1 -0.940 35.2 49.0-159.8 175.8 -21.0 8.9 23.7 79 81 A G E > S+D 45 0B 20 3,-0.3 3,-2.3 5,-0.3 -34,-0.3 -0.464 73.6 79.7 84.2-155.5 -22.3 7.6 27.0 80 82 A G T 3 S- 0 0 6 -36,-2.4 -37,-0.9 1,-0.3 -1,-0.1 -0.282 122.6 -23.9 53.2-133.7 -20.7 4.5 28.6 81 83 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.466 116.4 109.6 -86.8 0.7 -17.5 5.6 30.3 82 84 A L < - 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