==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-NOV-09 3KIG . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.SCHULZE-WISCHELER,N.U.NIEHAGE,A.HEINE,G.KLEBE . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 62.6 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 . 20 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.8 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 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 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.6 28.6 4.9 7.6 2 4 A H + 0 0 134 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.910 360.0 84.6 -69.9 -41.0 31.2 2.5 9.0 3 5 A W + 0 0 32 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.178 50.3 137.0 -65.3 157.2 29.0 0.7 11.6 4 6 A G - 0 0 9 5,-2.6 10,-0.1 2,-0.2 -1,-0.1 -0.763 62.1 -81.3-164.2-148.2 26.8 -2.2 10.7 5 7 A Y S S+ 0 0 40 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.210 83.1 109.1-121.6 7.2 25.7 -5.6 11.9 6 8 A G S > S- 0 0 40 4,-0.1 4,-1.8 1,-0.1 3,-0.4 -0.192 83.7 -96.7 -83.0 178.7 28.7 -7.7 10.7 7 9 A K T 4 S+ 0 0 184 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.839 123.6 39.0 -63.1 -34.8 31.4 -9.5 12.7 8 10 A H T 4 S+ 0 0 160 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.608 132.3 21.3 -96.9 -8.1 33.8 -6.6 12.1 9 11 A N T 4 S+ 0 0 48 -3,-0.4 -5,-2.6 -6,-0.1 -2,-0.2 0.232 96.6 115.4-139.5 15.5 31.5 -3.6 12.4 10 12 A G S >X S- 0 0 2 -4,-1.8 3,-3.0 -5,-0.2 4,-0.9 0.101 85.0 -64.0 -81.1-174.0 28.5 -4.9 14.5 11 13 A P T 34 S+ 0 0 26 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.755 128.1 60.2 -45.5 -32.8 27.2 -4.1 17.9 12 14 A E T 34 S+ 0 0 140 1,-0.2 -5,-0.1 2,-0.1 3,-0.1 0.673 110.7 42.6 -75.9 -12.3 30.2 -5.4 19.7 13 15 A H T X> S+ 0 0 53 -3,-3.0 3,-2.0 1,-0.1 4,-0.5 0.598 87.2 90.1-100.8 -16.5 32.3 -2.8 17.9 14 16 A W H >X S+ 0 0 6 -4,-0.9 4,-2.4 -3,-0.3 3,-0.7 0.786 73.4 70.4 -58.6 -31.2 30.0 0.2 18.1 15 17 A H H 34 S+ 0 0 64 -4,-0.5 -1,-0.3 1,-0.2 7,-0.1 0.723 85.9 68.1 -62.1 -17.9 31.4 1.5 21.4 16 18 A K H <4 S+ 0 0 131 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.925 117.2 22.3 -71.2 -39.0 34.7 2.5 19.7 17 19 A D H << S+ 0 0 100 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.750 135.7 38.1 -91.9 -23.2 33.0 5.3 17.7 18 20 A F >< - 0 0 57 -4,-2.4 3,-2.6 1,-0.1 -1,-0.2 -0.764 65.6-178.6-128.1 77.3 30.0 5.7 20.0 19 21 A P G > S+ 0 0 101 0, 0.0 3,-2.1 0, 0.0 -4,-0.1 0.739 76.0 75.4 -57.8 -20.1 31.2 5.3 23.6 20 22 A I G > S+ 0 0 67 1,-0.3 3,-2.8 2,-0.2 5,-0.2 0.681 70.5 88.3 -66.7 -11.8 27.6 5.8 24.9 21 23 A A G < S+ 0 0 6 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.762 91.6 45.4 -53.0 -27.0 27.1 2.3 23.7 22 24 A K G < S+ 0 0 142 -3,-2.1 -1,-0.3 -7,-0.1 -2,-0.2 -0.028 97.2 128.0-102.7 24.9 28.3 1.3 27.2 23 25 A G S < S- 0 0 13 -3,-2.8 3,-0.4 1,-0.1 -3,-0.1 0.083 72.7-100.7 -77.1-172.4 26.1 3.9 28.8 24 26 A E S S+ 0 0 119 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.542 111.7 36.0 -89.8 -14.1 23.5 3.8 31.6 25 27 A R S S+ 0 0 47 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.271 78.9 154.3-141.3 56.1 20.3 3.8 29.6 26 28 A Q - 0 0 1 -3,-0.4 220,-0.2 221,-0.3 170,-0.1 -0.508 32.9-101.3 -85.9 150.5 20.9 1.7 26.5 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.865 77.8 39.5-124.6 156.2 18.4 -0.1 24.4 28 30 A P + 0 0 0 0, 0.0 218,-2.6 0, 0.0 2,-0.3 0.636 66.3 176.8 -80.4 179.6 17.1 -2.7 23.7 29 31 A V - 0 0 1 216,-0.3 77,-1.1 -2,-0.2 2,-0.4 -0.914 36.0 -99.6-135.5 162.2 16.7 -4.6 27.0 30 32 A D E -a 106 0A 32 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.711 33.6-140.4 -77.2 131.8 15.3 -7.9 28.1 31 33 A I E -a 107 0A 0 75,-2.8 77,-2.5 -2,-0.4 2,-0.9 -0.899 10.1-158.5 -98.1 105.3 11.8 -7.4 29.7 32 34 A D >> - 0 0 58 -2,-0.8 4,-1.8 75,-0.2 3,-1.3 -0.788 1.6-160.6 -83.8 110.0 11.6 -9.7 32.7 33 35 A T T 34 S+ 0 0 42 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.707 85.6 58.5 -69.3 -20.3 7.8 -10.0 33.1 34 36 A H T 34 S+ 0 0 152 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.556 112.9 36.6 -87.0 -12.1 8.2 -11.1 36.7 35 37 A T T <4 S+ 0 0 100 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.2 0.676 90.3 101.5-113.0 -12.6 10.0 -8.1 37.8 36 38 A A < - 0 0 19 -4,-1.8 2,-0.5 218,-0.1 218,-0.2 -0.420 67.4-140.5 -62.4 139.5 8.2 -5.5 35.8 37 39 A K E -c 254 0B 138 216,-1.8 218,-2.1 -2,-0.1 2,-0.1 -0.894 9.6-116.2-117.0 138.1 5.8 -3.7 38.0 38 40 A Y E -c 255 0B 124 -2,-0.5 218,-0.2 216,-0.2 151,-0.0 -0.396 30.8-156.0 -60.5 132.3 2.3 -2.5 37.3 39 41 A D > - 0 0 32 216,-2.3 3,-1.2 1,-0.1 -1,-0.1 -0.948 17.5-170.1-119.1 108.0 2.2 1.3 37.6 40 42 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.594 83.9 73.0 -67.6 -12.0 -1.1 3.0 38.5 41 43 A S T 3 S+ 0 0 83 2,-0.1 2,-0.2 40,-0.0 215,-0.1 0.722 73.7 103.2 -74.7 -17.2 0.5 6.4 37.7 42 44 A L < - 0 0 31 -3,-1.2 3,-0.1 213,-0.2 213,-0.0 -0.504 65.7-144.5 -70.0 132.3 0.5 5.6 34.0 43 45 A K - 0 0 93 37,-1.6 37,-0.4 -2,-0.2 39,-0.1 -0.464 38.6 -71.1 -89.0 162.6 -2.3 7.4 32.1 44 46 A P - 0 0 117 0, 0.0 36,-1.2 0, 0.0 2,-0.3 -0.303 52.3-120.1 -53.1 137.9 -4.2 5.9 29.2 45 47 A L E -D 79 0B 24 34,-0.3 2,-0.5 -3,-0.1 34,-0.2 -0.696 23.2-156.9 -80.5 133.4 -2.1 5.6 26.0 46 48 A S E -D 78 0B 49 32,-3.3 32,-2.3 -2,-0.3 2,-0.7 -0.943 12.2-177.0-119.2 108.0 -3.4 7.5 23.0 47 49 A V E -D 77 0B 30 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.928 10.5-177.3-101.0 106.2 -2.3 6.3 19.6 48 50 A S E +D 76 0B 39 28,-3.1 28,-2.3 -2,-0.7 3,-0.2 -0.816 23.4 143.5-113.2 88.1 -3.9 8.9 17.2 49 51 A Y > + 0 0 3 -2,-0.7 3,-2.0 26,-0.2 130,-0.2 0.305 31.0 110.4-110.4 7.7 -3.1 7.9 13.6 50 52 A D T 3 S+ 0 0 90 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.828 86.6 39.5 -57.5 -33.2 -6.3 8.8 11.7 51 53 A Q T 3 S+ 0 0 125 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.204 81.9 149.1-104.5 21.2 -4.7 11.6 9.9 52 54 A A < - 0 0 23 -3,-2.0 2,-0.5 1,-0.1 23,-0.1 -0.266 32.0-158.2 -56.3 138.0 -1.3 10.0 9.2 53 55 A T - 0 0 45 16,-0.3 16,-3.0 122,-0.1 2,-0.1 -0.873 7.3-165.7-122.5 92.0 0.3 11.2 6.0 54 56 A S E +E 68 0B 1 -2,-0.5 121,-0.6 122,-0.4 14,-0.3 -0.436 11.3 173.8 -74.1 154.2 2.8 8.6 4.7 55 57 A L E - 0 0 78 12,-3.0 118,-2.5 1,-0.4 119,-0.3 0.704 48.9 -7.6-124.7 -50.2 5.2 9.8 2.0 56 58 A R E -EF 67 172B 86 11,-0.9 11,-3.2 117,-0.3 -1,-0.4 -0.968 45.1-133.6-158.3 155.8 8.0 7.5 1.0 57 59 A I E -EF 66 171B 0 114,-2.5 114,-2.1 -2,-0.3 2,-0.4 -0.986 27.6-170.4-123.2 135.3 9.8 4.2 1.7 58 60 A L E -EF 65 170B 33 7,-2.2 7,-2.5 -2,-0.4 2,-0.8 -0.986 23.9-144.9-130.0 130.4 13.6 4.2 1.8 59 61 A N E -E 64 0B 0 110,-2.9 109,-3.0 -2,-0.4 5,-0.2 -0.875 21.5-177.4 -87.1 112.0 16.2 1.4 1.9 60 62 A N - 0 0 56 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.190 51.6 -99.0-100.2 18.4 18.9 3.0 4.0 61 63 A G S S+ 0 0 8 2,-0.4 106,-0.1 166,-0.2 3,-0.1 0.259 118.0 49.3 90.0 -16.4 21.3 0.2 3.9 62 64 A C S S- 0 0 13 1,-0.5 2,-0.2 176,-0.1 -1,-0.1 0.631 124.9 -23.1-126.5 -34.0 20.4 -1.1 7.3 63 65 A A S S- 0 0 7 -5,-0.1 -3,-2.0 165,-0.1 -1,-0.5 -0.814 72.0 -93.6-151.6-168.6 16.6 -1.4 7.3 64 66 A F E -E 59 0B 0 -2,-0.2 29,-0.5 29,-0.2 2,-0.5 -0.986 32.7-152.2-119.2 142.3 13.8 0.3 5.4 65 67 A N E -E 58 0B 23 -7,-2.5 -7,-2.2 -2,-0.4 2,-0.6 -0.935 7.9-153.6-111.7 129.4 12.0 3.4 6.7 66 68 A V E -EG 57 91B 0 25,-2.7 25,-1.9 -2,-0.5 2,-0.3 -0.923 28.8-151.3 -95.1 118.5 8.4 4.4 5.9 67 69 A E E -EG 56 90B 46 -11,-3.2 -12,-3.0 -2,-0.6 -11,-0.9 -0.723 10.7-159.0-101.1 147.8 8.4 8.1 6.3 68 70 A F E -E 54 0B 8 21,-2.5 2,-0.8 -2,-0.3 -14,-0.2 -0.823 29.9-103.7-121.1 156.1 5.7 10.5 7.3 69 71 A D + 0 0 39 -16,-3.0 -16,-0.3 -2,-0.3 5,-0.3 -0.698 39.9 171.3 -75.7 112.8 4.9 14.1 7.0 70 72 A D + 0 0 41 -2,-0.8 -1,-0.1 1,-0.1 17,-0.1 -0.025 43.8 109.5-113.3 27.8 5.6 15.5 10.5 71 73 A S S S+ 0 0 79 2,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.502 89.9 15.9 -84.7 -6.1 5.2 19.2 9.6 72 74 A Q S S- 0 0 120 -3,-0.2 2,-1.9 3,-0.0 3,-0.4 -0.948 102.5 -78.2-151.9 169.9 2.0 19.3 11.6 73 75 A D S S+ 0 0 91 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.503 75.2 132.2 -70.6 80.8 0.3 17.2 14.3 74 76 A K S S+ 0 0 46 -2,-1.9 -23,-0.8 1,-0.4 2,-0.4 0.736 73.8 18.3-103.8 -32.7 -1.1 14.5 11.9 75 77 A A S S+ 0 0 6 -3,-0.4 13,-2.6 -24,-0.2 -1,-0.4 -0.949 84.1 168.5-138.7 114.5 -0.2 11.2 13.5 76 78 A V E -DH 48 87B 17 -28,-2.3 -28,-3.1 -2,-0.4 2,-0.4 -0.945 30.6-145.6-137.1 157.9 0.7 11.5 17.2 77 79 A L E +DH 47 86B 0 9,-2.6 9,-2.1 -2,-0.3 2,-0.3 -0.968 30.7 156.3-117.9 131.9 1.3 9.5 20.4 78 80 A K E +D 46 0B 81 -32,-2.3 -32,-3.3 -2,-0.4 7,-0.1 -0.921 34.8 32.3-146.7 170.1 0.3 10.9 23.8 79 81 A G E > S+D 45 0B 15 5,-0.5 3,-2.2 3,-0.3 -34,-0.3 -0.292 72.1 82.8 75.9-161.3 -0.5 9.6 27.3 80 82 A G T 3 S- 0 0 1 -36,-1.2 -37,-1.6 -37,-0.4 -1,-0.1 -0.488 122.3 -20.1 61.0-128.9 0.9 6.6 29.0 81 83 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.518 118.5 105.5 -81.0 -7.1 4.2 7.6 30.5 82 84 A L < - 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I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.2 -0.835 0.9-149.5-124.3 161.0 11.6 -3.0 11.4 94 96 A H E + I 0 115B 4 21,-2.1 21,-2.2 -2,-0.3 2,-0.3 -0.982 31.6 166.3-122.4 138.1 14.4 -5.2 12.7 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.9 -0.933 23.9-117.5-150.4 173.0 14.3 -8.9 11.7 96 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.6 3,-0.1 -0.443 24.1-119.2-109.0 175.6 16.2 -12.1 11.6 97 99 A S S S+ 0 0 42 -2,-0.2 2,-0.3 142,-0.2 5,-0.1 0.628 105.8 28.5 -82.6 -20.6 17.6 -14.7 9.2 98 100 A L S > S- 0 0 119 3,-0.2 3,-1.5 15,-0.1 -2,-0.2 -0.919 90.7-107.8-140.8 158.4 15.4 -17.3 10.9 99 101 A D T 3 S+ 0 0 70 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.745 110.5 67.6 -68.6 -20.0 12.0 -17.1 12.7 100 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.364 106.6 31.9 -83.0 9.0 13.6 -17.6 16.1 101 103 A Q < + 0 0 64 -3,-1.5 -5,-0.6 12,-0.1 -3,-0.2 -0.982 65.6 96.3-153.6 164.5 15.5 -14.3 16.2 102 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.004 56.1 105.6 144.6 -35.9 15.1 -10.8 14.9 103 105 A S - 0 0 1 9,-1.9 -1,-0.5 11,-0.3 -8,-0.1 -0.379 52.2-153.4 -75.6 158.0 13.6 -8.7 17.7 104 106 A E S S+ 0 0 1 -10,-0.1 -1,-0.1 -3,-0.1 2,-0.1 0.866 83.6 53.0 -91.9 -58.4 15.7 -6.2 19.7 105 107 A H S S- 0 0 0 -77,-0.1 7,-0.5 140,-0.1 2,-0.3 -0.476 77.7-157.5 -69.4 153.3 13.7 -6.3 22.9 106 108 A T E -a 30 0A 9 -77,-1.1 -75,-2.8 5,-0.1 2,-0.5 -0.891 10.8-138.2-127.5 159.1 13.1 -9.8 24.4 107 109 A V E > S-aB 31 110A 14 3,-1.9 3,-2.2 -2,-0.3 -75,-0.2 -0.969 88.3 -21.1-124.2 111.5 10.5 -11.0 26.8 108 110 A D T 3 S- 0 0 66 -77,-2.5 -1,-0.2 -2,-0.5 -76,-0.1 0.903 129.8 -53.3 50.2 43.4 11.7 -13.3 29.4 109 111 A K T 3 S+ 0 0 157 1,-0.3 2,-0.3 -78,-0.1 -1,-0.3 0.298 106.2 140.0 72.7 -0.6 14.7 -13.9 27.0 110 112 A K B < -B 107 0A 115 -3,-2.2 -3,-1.9 1,-0.0 2,-0.4 -0.547 40.3-152.5 -70.9 127.1 12.3 -14.8 24.2 111 113 A K - 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