==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 10-MAR-10 3M3X . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.GRAZULIS,E.MANAKOVA,D.GOLOVENKO . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 62.8 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 . 56 21.7 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 34 13.2 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 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 0 176 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 64.2 13.4 -1.0 7.4 2 4 A H - 0 0 144 1,-0.2 0, 0.0 15,-0.0 0, 0.0 -0.369 360.0 -73.6 -91.9 177.7 10.1 0.3 8.9 3 5 A W + 0 0 43 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.165 63.2 132.8 -70.8 156.6 7.8 -1.4 11.3 4 6 A G - 0 0 7 5,-2.7 10,-0.1 2,-0.2 -1,-0.1 -0.788 64.4 -78.4-166.9-145.4 5.5 -4.2 10.3 5 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.429 83.0 105.8-120.2 2.2 4.5 -7.7 11.5 6 8 A G S > S- 0 0 41 4,-0.1 4,-2.0 1,-0.1 3,-0.4 -0.035 84.8 -92.1 -78.8 180.0 7.5 -10.0 10.5 7 9 A K T 4 S+ 0 0 173 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.836 125.4 37.8 -58.7 -33.4 10.3 -11.7 12.5 8 10 A H T 4 S+ 0 0 136 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.522 133.3 19.7-103.3 -12.9 12.6 -8.7 11.8 9 11 A N T 4 S+ 0 0 45 -3,-0.4 -5,-2.7 -6,-0.1 -2,-0.2 0.249 96.1 114.5-138.9 13.5 10.3 -5.8 12.1 10 12 A G S >X S- 0 0 2 -4,-2.0 3,-2.7 -5,-0.2 4,-0.8 0.087 86.4 -64.6 -83.1-171.0 7.2 -7.1 14.1 11 13 A P G >4 S+ 0 0 25 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.783 128.0 61.2 -50.3 -34.6 5.8 -6.2 17.5 12 14 A E G 34 S+ 0 0 144 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.656 109.9 46.1 -64.8 -16.2 8.9 -7.5 19.5 13 15 A H G X> S+ 0 0 51 -3,-2.7 3,-1.8 1,-0.1 4,-0.5 0.573 85.9 90.4-100.8 -19.4 11.0 -4.8 17.6 14 16 A W H < - 0 0 50 -4,-2.2 3,-2.5 1,-0.1 -1,-0.2 -0.789 65.3-176.7-139.1 76.3 8.7 3.7 19.6 19 21 A P G > S+ 0 0 99 0, 0.0 3,-1.8 0, 0.0 -4,-0.1 0.721 76.5 75.0 -55.2 -25.9 9.9 3.4 23.2 20 22 A I G > S+ 0 0 67 1,-0.3 3,-2.7 179,-0.2 5,-0.2 0.627 71.5 92.3 -62.6 -11.9 6.4 3.9 24.7 21 23 A A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.780 89.9 43.4 -47.3 -28.5 5.9 0.3 23.4 22 24 A K G < S+ 0 0 137 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.1 0.029 98.3 130.8-107.5 25.3 7.0 -0.7 26.9 23 25 A G S X S- 0 0 11 -3,-2.7 3,-0.5 1,-0.1 -3,-0.1 0.092 71.7 -99.3 -75.3-172.1 4.9 2.0 28.6 24 26 A E T 3 S+ 0 0 121 1,-0.2 226,-0.4 225,-0.1 -1,-0.1 0.548 113.0 34.3 -91.0 -8.6 2.5 1.9 31.4 25 27 A R T 3 S+ 0 0 46 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.301 79.2 156.4-142.8 55.7 -0.8 1.8 29.5 26 28 A Q < - 0 0 2 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.538 32.3-102.2 -88.1 153.7 -0.2 -0.3 26.3 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.876 77.6 42.0-125.0 156.4 -2.8 -2.2 24.3 28 30 A P + 0 0 0 0, 0.0 218,-2.6 0, 0.0 2,-0.3 0.586 65.0 177.3 -78.6-177.9 -4.0 -4.8 23.6 29 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.928 36.9 -99.7-141.5 159.2 -4.5 -6.8 26.9 30 32 A D E -a 106 0A 31 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.736 35.2-137.3 -78.0 130.2 -5.9 -10.1 28.0 31 33 A I E -a 107 0A 0 75,-3.1 77,-2.8 -2,-0.4 2,-0.9 -0.855 11.8-160.0 -94.2 102.1 -9.4 -9.5 29.4 32 34 A D >> - 0 0 71 -2,-0.9 4,-1.1 75,-0.2 3,-0.6 -0.766 6.7-164.2 -82.1 101.3 -9.6 -11.7 32.6 33 35 A T T 34 S+ 0 0 41 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.731 84.4 54.0 -70.8 -20.6 -13.4 -11.8 32.8 34 36 A H T 34 S+ 0 0 170 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.825 112.1 43.3 -82.0 -26.9 -13.4 -13.0 36.4 35 37 A T T <4 S+ 0 0 102 -3,-0.6 -2,-0.2 2,-0.1 2,-0.2 0.518 88.7 104.3 -95.2 -10.3 -11.1 -10.1 37.6 36 38 A A S < S- 0 0 17 -4,-1.1 2,-0.6 216,-0.1 218,-0.2 -0.509 73.8-127.0 -75.1 138.5 -13.0 -7.3 35.6 37 39 A K E -c 254 0B 126 216,-2.2 218,-2.8 -2,-0.2 2,-0.2 -0.799 9.5-127.3 -94.6 126.0 -15.1 -5.3 38.0 38 40 A Y E -c 255 0B 84 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.436 25.8-162.3 -62.0 128.1 -18.9 -4.8 37.3 39 41 A D > - 0 0 34 216,-2.6 3,-2.4 -2,-0.2 -1,-0.1 -0.840 13.1-170.4-121.0 90.0 -19.4 -1.0 37.5 40 42 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.668 84.6 65.3 -59.9 -9.6 -23.0 -0.1 38.0 41 43 A S T 3 S+ 0 0 95 2,-0.1 2,-0.2 40,-0.0 215,-0.1 0.561 76.5 106.8 -81.8 -8.8 -22.2 3.6 37.4 42 44 A L < - 0 0 29 -3,-2.4 3,-0.1 213,-0.2 38,-0.0 -0.555 67.6-136.8 -66.3 134.9 -21.2 2.8 33.7 43 45 A K - 0 0 128 37,-1.2 39,-0.1 -2,-0.2 2,-0.1 -0.469 28.1 -86.0 -84.1 160.5 -23.8 4.1 31.3 44 46 A P - 0 0 115 0, 0.0 36,-2.2 0, 0.0 2,-0.2 -0.429 53.4-105.6 -56.4 143.9 -25.1 2.3 28.2 45 47 A L E -D 79 0B 12 141,-0.3 2,-0.7 34,-0.3 34,-0.2 -0.553 29.7-143.4 -67.7 137.8 -22.9 3.0 25.3 46 48 A S E -D 78 0B 35 32,-3.2 32,-2.1 -2,-0.2 2,-0.6 -0.908 19.5-179.3-108.5 110.9 -24.4 5.4 22.8 47 49 A V E -D 77 0B 33 -2,-0.7 2,-0.8 30,-0.2 30,-0.2 -0.908 2.3-178.1-110.0 109.1 -23.6 4.5 19.2 48 50 A S E +D 76 0B 42 28,-3.2 28,-1.7 -2,-0.6 3,-0.2 -0.771 22.9 145.6-113.7 84.3 -25.2 7.0 16.8 49 51 A Y > + 0 0 3 -2,-0.8 3,-1.9 26,-0.2 130,-0.2 0.388 32.8 110.8-102.5 4.5 -24.3 5.8 13.3 50 52 A D T 3 S+ 0 0 96 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.740 88.2 35.2 -49.4 -33.6 -27.5 6.9 11.4 51 53 A Q T 3 S+ 0 0 118 23,-1.1 -1,-0.3 -3,-0.2 24,-0.2 0.228 81.1 147.2-110.8 11.6 -25.7 9.6 9.4 52 54 A A < - 0 0 23 -3,-1.9 2,-0.5 22,-0.2 18,-0.1 -0.232 31.6-158.6 -49.6 132.9 -22.3 8.0 8.9 53 55 A T - 0 0 47 16,-0.4 16,-2.6 121,-0.1 2,-0.1 -0.892 3.7-162.4-117.8 94.1 -20.7 9.0 5.6 54 56 A S E +E 68 0B 1 -2,-0.5 121,-0.5 122,-0.3 14,-0.3 -0.400 12.4 174.7 -68.7 150.3 -18.0 6.6 4.4 55 57 A L E - 0 0 83 12,-3.2 118,-2.4 1,-0.4 2,-0.3 0.716 51.4 -7.5-117.5 -42.4 -15.6 7.9 1.7 56 58 A R E -EF 67 172B 82 11,-1.1 11,-3.3 116,-0.3 -1,-0.4 -0.995 45.8-133.9-162.1 153.8 -12.9 5.6 0.8 57 59 A I E -EF 66 171B 0 114,-2.9 114,-2.3 -2,-0.3 2,-0.4 -0.972 27.5-171.3-125.5 138.8 -11.2 2.3 1.5 58 60 A L E -EF 65 170B 32 7,-2.2 7,-2.6 -2,-0.4 2,-0.8 -0.983 25.8-145.4-137.4 129.6 -7.4 2.1 1.7 59 61 A N E +E 64 0B 0 110,-2.8 109,-3.3 -2,-0.4 5,-0.2 -0.876 21.9 179.0 -84.4 111.4 -4.7 -0.6 1.9 60 62 A N - 0 0 56 3,-1.9 4,-0.1 -2,-0.8 -1,-0.1 0.321 53.4-100.4 -97.8 10.7 -1.9 1.1 4.0 61 63 A G S S+ 0 0 4 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.280 118.2 54.7 89.4 -10.0 0.5 -1.8 4.1 62 64 A H S S- 0 0 47 1,-0.5 2,-0.2 -58,-0.1 -1,-0.1 0.709 123.5 -31.4-118.9 -44.5 -0.6 -2.9 7.6 63 65 A A S S- 0 0 6 -5,-0.1 -3,-1.9 31,-0.1 -2,-0.5 -0.714 70.4 -88.7-152.9-166.6 -4.4 -3.3 7.3 64 66 A F E -E 59 0B 0 29,-0.3 2,-0.5 -5,-0.2 29,-0.4 -0.993 34.4-151.7-121.9 133.7 -7.3 -1.7 5.3 65 67 A N E -E 58 0B 24 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.7 -0.881 9.4-153.5-105.1 130.6 -9.1 1.3 6.6 66 68 A V E -EG 57 91B 0 25,-2.8 25,-1.8 -2,-0.5 2,-0.3 -0.918 30.4-155.1 -91.5 116.3 -12.7 2.3 5.8 67 69 A E E -EG 56 90B 41 -11,-3.3 -12,-3.2 -2,-0.7 -11,-1.1 -0.718 9.0-159.7-103.0 148.8 -12.5 6.1 6.2 68 70 A F E -E 54 0B 8 21,-2.8 2,-0.7 -2,-0.3 -14,-0.2 -0.824 29.3-100.1-123.5 162.0 -15.4 8.4 7.0 69 71 A D + 0 0 35 -16,-2.6 -16,-0.4 -2,-0.3 3,-0.3 -0.679 40.1 171.7 -77.8 113.3 -16.3 12.1 6.7 70 72 A D + 0 0 42 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 -0.029 46.0 105.0-115.2 32.8 -15.6 13.4 10.2 71 73 A S S S+ 0 0 87 2,-0.0 2,-0.3 56,-0.0 -1,-0.1 0.457 85.5 34.1 -93.3 -1.5 -16.1 17.1 9.3 72 74 A Q S S- 0 0 114 -3,-0.3 2,-1.4 3,-0.0 3,-0.3 -0.939 99.6 -92.6-142.4 160.6 -19.4 17.1 11.0 73 75 A D S S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.703 77.9 125.7 -74.2 95.7 -21.0 15.4 14.0 74 76 A K + 0 0 44 -2,-1.4 -23,-1.1 1,-0.2 2,-0.3 0.574 68.6 28.0-120.6 -33.4 -22.5 12.5 12.0 75 77 A A S S+ 0 0 5 -3,-0.3 13,-3.1 -24,-0.2 2,-0.4 -0.820 81.9 172.7-136.7 94.0 -21.3 9.1 13.4 76 78 A V E -DH 48 87B 21 -28,-1.7 -28,-3.2 -2,-0.3 2,-0.4 -0.871 26.8-156.1-119.8 146.9 -20.7 9.6 17.1 77 79 A L E +DH 47 86B 0 9,-2.8 9,-2.7 -2,-0.4 2,-0.3 -0.936 32.6 142.5-111.2 134.1 -19.9 7.5 20.1 78 80 A K E +D 46 0B 100 -32,-2.1 -32,-3.2 -2,-0.4 7,-0.1 -0.916 34.9 39.8-156.8-175.6 -20.7 8.7 23.6 79 81 A G E > S+D 45 0B 12 5,-0.5 3,-2.7 3,-0.3 -34,-0.3 -0.364 75.5 88.8 61.0-141.2 -22.0 7.6 27.1 80 82 A G T 3 S- 0 0 4 -36,-2.2 -37,-1.2 1,-0.3 -1,-0.2 -0.359 122.0 -26.9 49.2-131.6 -20.6 4.4 28.3 81 83 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.501 116.5 109.0 -84.4 2.0 -17.4 5.3 30.1 82 84 A L < - 0 0 12 -3,-2.7 2,-0.4 -39,-0.1 -3,-0.3 -0.507 57.9-148.5 -93.0 145.7 -16.9 8.5 28.0 83 85 A D S S- 0 0 145 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.888 72.3 -12.0 -96.8 134.1 -17.2 12.1 28.9 84 86 A G S S- 0 0 52 -2,-0.4 -5,-0.5 38,-0.1 2,-0.4 -0.339 99.3 -40.2 73.5-155.2 -18.3 14.1 25.9 85 87 A T - 0 0 37 -7,-0.1 38,-2.6 -2,-0.1 2,-0.4 -0.926 39.3-162.6-128.7 129.4 -18.6 13.1 22.2 86 88 A Y E -HI 77 122B 5 -9,-2.7 -9,-2.8 -2,-0.4 2,-0.4 -0.968 14.4-142.3-118.1 131.7 -16.3 11.1 20.0 87 89 A R E -HI 76 121B 35 34,-3.0 34,-2.3 -2,-0.4 2,-0.3 -0.772 18.9-118.3 -96.2 131.1 -16.5 11.2 16.2 88 90 A L E + I 0 120B 1 -13,-3.1 32,-0.2 -2,-0.4 -13,-0.1 -0.494 38.0 164.3 -64.8 125.5 -15.9 8.1 13.9 89 91 A I E - 0 0 34 30,-2.8 -21,-2.8 1,-0.4 2,-0.3 0.720 59.7 -23.5-107.4 -42.2 -12.9 8.6 11.6 90 92 A Q E -GI 67 119B 31 29,-1.2 29,-2.8 -23,-0.2 -1,-0.4 -0.983 47.6-144.3-162.1 160.3 -12.2 5.0 10.3 91 93 A F E +GI 66 118B 0 -25,-1.8 -25,-2.8 -2,-0.3 2,-0.3 -0.975 22.9 162.4-126.2 159.1 -12.5 1.4 10.9 92 94 A H E - I 0 117B 22 25,-1.9 25,-3.0 -2,-0.3 2,-0.3 -0.921 23.5-127.3-157.8 175.2 -10.1 -1.4 10.2 93 95 A F E - I 0 116B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.3 -0.880 0.7-148.6-129.0 162.9 -9.5 -5.1 11.3 94 96 A H E + I 0 115B 2 21,-1.8 21,-2.2 -2,-0.3 2,-0.3 -0.980 31.5 167.7-125.0 134.2 -6.7 -7.3 12.6 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.2 19,-0.2 145,-1.0 -0.945 24.4-115.2-149.4 171.8 -6.7 -11.0 11.6 96 98 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.7 3,-0.1 -0.367 24.2-120.2-104.8 176.9 -4.8 -14.2 11.5 97 99 A S S S+ 0 0 44 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.576 106.5 28.7 -83.3 -10.7 -3.3 -16.7 9.0 98 100 A L S > S- 0 0 102 3,-0.3 3,-1.6 15,-0.1 -2,-0.2 -0.948 90.6-109.4-147.0 156.9 -5.6 -19.3 10.6 99 101 A D T 3 S+ 0 0 75 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.762 109.5 73.1 -68.6 -18.4 -9.0 -19.1 12.3 100 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.453 106.0 22.4 -73.5 -2.2 -7.4 -19.9 15.7 101 103 A Q < + 0 0 52 -3,-1.6 -5,-0.7 12,-0.1 -3,-0.3 -0.976 65.8 102.7-153.1 170.5 -5.7 -16.5 16.0 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 -0.009 53.6 106.9 141.3 -34.0 -6.1 -12.9 14.8 103 105 A S - 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