==== 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 12-MAR-10 3M5E . 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) . 11963.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 61.6 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 . 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 . 22 8.5 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 . 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 . 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 0 188 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 66.2 13.4 -1.2 7.6 2 4 A H - 0 0 120 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.338 360.0 -83.8 -82.6 159.2 9.9 0.1 8.7 3 5 A W + 0 0 33 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.256 64.1 131.9 -65.3 152.8 7.7 -1.5 11.4 4 6 A G - 0 0 7 5,-2.4 10,-0.1 2,-0.1 -1,-0.1 -0.771 65.0 -89.0-164.3-150.5 5.4 -4.4 10.4 5 7 A Y S S+ 0 0 29 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 -0.066 80.0 117.9-130.7 26.4 4.3 -7.9 11.3 6 8 A G S > S- 0 0 37 1,-0.1 4,-0.5 235,-0.0 3,-0.2 -0.075 84.8 -82.9 -85.4-169.1 6.9 -9.8 9.3 7 9 A K T 4 S+ 0 0 187 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.708 124.6 24.0 -67.5 -19.6 9.6 -12.1 10.5 8 10 A H T 4 S+ 0 0 131 1,-0.0 -1,-0.2 5,-0.0 -5,-0.0 0.366 124.3 42.5-130.3 -2.8 12.1 -9.3 11.4 9 11 A N T 4 S+ 0 0 41 -3,-0.2 -5,-2.4 -6,-0.0 -2,-0.1 0.149 83.5 127.0-134.9 19.9 10.1 -6.1 12.1 10 12 A G S >X S- 0 0 1 -4,-0.5 3,-2.8 -7,-0.2 4,-0.7 0.115 78.9 -68.0 -79.4-172.8 7.1 -7.4 14.2 11 13 A P G >4 S+ 0 0 29 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.744 127.4 61.8 -49.1 -33.2 5.7 -6.4 17.6 12 14 A E G 34 S+ 0 0 123 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.638 108.2 45.9 -69.4 -14.5 8.7 -7.6 19.5 13 15 A H G X4 S+ 0 0 56 -3,-2.8 3,-1.6 1,-0.1 4,-0.5 0.586 85.7 89.8-101.4 -15.3 10.8 -5.0 17.6 14 16 A W G XX S+ 0 0 5 -4,-0.7 4,-2.5 -3,-0.7 3,-0.7 0.774 72.0 71.0 -61.0 -29.6 8.6 -1.9 17.9 15 17 A H G 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.752 87.1 67.3 -60.7 -25.3 10.1 -0.6 21.2 16 18 A K G <4 S+ 0 0 134 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.916 116.9 23.0 -65.0 -43.5 13.3 0.3 19.4 17 19 A D T <4 S+ 0 0 117 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.724 136.2 37.9 -88.4 -24.8 11.6 3.1 17.3 18 20 A F >< - 0 0 55 -4,-2.5 3,-2.6 1,-0.1 -1,-0.2 -0.728 63.6-179.1-130.4 78.2 8.7 3.6 19.8 19 21 A P G > S+ 0 0 101 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.729 76.7 75.5 -53.2 -26.7 9.9 3.2 23.4 20 22 A I G > S+ 0 0 67 1,-0.3 3,-2.2 179,-0.2 -5,-0.1 0.608 72.1 88.1 -62.5 -9.5 6.3 3.8 24.7 21 23 A A G < S+ 0 0 6 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.752 91.1 44.7 -56.3 -27.8 5.8 0.2 23.5 22 24 A K G < S+ 0 0 140 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.003 97.4 129.0-103.2 23.7 7.0 -0.8 27.0 23 25 A G S < S- 0 0 12 -3,-2.2 3,-0.5 1,-0.1 -3,-0.0 0.082 72.2-100.8 -76.9-173.0 4.8 1.9 28.7 24 26 A E S S+ 0 0 124 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.554 111.9 35.6 -91.6 -11.9 2.3 1.8 31.5 25 27 A R S S+ 0 0 47 224,-0.1 -1,-0.2 168,-0.0 2,-0.2 -0.230 79.4 154.4-139.1 52.9 -1.0 1.8 29.5 26 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.477 32.7-100.6 -86.1 153.0 -0.4 -0.3 26.4 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.889 77.3 39.9-124.8 155.6 -2.9 -2.2 24.3 28 30 A P + 0 0 0 0, 0.0 218,-2.6 0, 0.0 2,-0.3 0.544 65.8 177.0 -81.4-177.5 -4.2 -4.8 23.7 29 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.944 35.7 -99.8-141.4 159.4 -4.6 -6.8 26.9 30 32 A D E -a 106 0A 29 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.725 33.7-139.1 -76.9 132.7 -6.1 -10.1 28.1 31 33 A I E -a 107 0A 0 75,-2.9 77,-2.6 -2,-0.4 2,-0.9 -0.857 9.9-157.6 -94.7 105.1 -9.5 -9.6 29.6 32 34 A D >> - 0 0 69 -2,-0.8 4,-1.6 75,-0.2 3,-0.9 -0.787 5.5-161.1 -84.2 106.1 -9.8 -11.8 32.7 33 35 A T T 34 S+ 0 0 44 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.731 85.6 53.2 -67.8 -25.8 -13.6 -12.1 33.0 34 36 A H T 34 S+ 0 0 167 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.773 113.2 43.1 -79.8 -22.3 -13.5 -13.2 36.6 35 37 A T T <4 S+ 0 0 106 -3,-0.9 2,-0.3 2,-0.1 -2,-0.2 0.646 86.7 100.6 -98.4 -21.0 -11.4 -10.2 37.7 36 38 A A S < S- 0 0 15 -4,-1.6 2,-0.5 218,-0.1 218,-0.2 -0.523 72.1-136.5 -65.6 126.9 -13.2 -7.5 35.7 37 39 A K E -c 254 0B 141 216,-1.4 218,-2.4 -2,-0.3 2,-0.2 -0.752 10.0-118.5 -95.9 131.5 -15.5 -5.7 38.2 38 40 A Y E -c 255 0B 97 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.456 27.5-158.2 -58.6 130.5 -19.1 -4.8 37.4 39 41 A D > - 0 0 32 216,-2.7 3,-2.2 -2,-0.2 -1,-0.1 -0.890 12.1-169.7-119.0 100.4 -19.3 -1.0 37.7 40 42 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.646 84.6 68.3 -69.2 -11.6 -23.0 0.1 38.2 41 43 A S T 3 S+ 0 0 86 -3,-0.1 2,-0.1 2,-0.1 215,-0.1 0.588 79.7 102.6 -76.2 -14.6 -21.9 3.7 37.6 42 44 A L < - 0 0 29 -3,-2.2 3,-0.1 213,-0.2 38,-0.0 -0.443 66.5-138.0 -69.9 145.8 -21.2 2.9 33.9 43 45 A K - 0 0 130 37,-1.0 39,-0.1 -2,-0.1 2,-0.1 -0.611 26.4 -89.3-100.3 157.8 -23.8 3.9 31.4 44 46 A P - 0 0 114 0, 0.0 36,-1.7 0, 0.0 2,-0.2 -0.415 53.4-106.5 -55.6 142.9 -25.3 2.2 28.4 45 47 A L E -D 79 0B 14 141,-0.3 2,-0.6 34,-0.2 34,-0.2 -0.505 27.2-145.5 -72.1 144.7 -23.1 2.8 25.3 46 48 A S E +D 78 0B 43 32,-2.7 32,-2.3 -2,-0.2 2,-0.6 -0.944 18.7 179.0-116.4 109.6 -24.7 5.2 22.8 47 49 A V E -D 77 0B 33 -2,-0.6 2,-0.7 30,-0.2 30,-0.2 -0.940 2.1-178.8-110.9 110.9 -23.8 4.4 19.2 48 50 A S E +D 76 0B 41 28,-2.9 28,-1.7 -2,-0.6 3,-0.2 -0.804 23.7 143.5-115.8 88.8 -25.4 6.8 16.7 49 51 A Y > + 0 0 3 -2,-0.7 3,-1.8 26,-0.2 130,-0.2 0.301 35.6 106.5-106.9 4.5 -24.4 5.7 13.2 50 52 A D T 3 S+ 0 0 91 1,-0.3 -1,-0.1 24,-0.1 25,-0.1 0.836 89.2 40.2 -53.0 -36.7 -27.6 6.5 11.3 51 53 A Q T 3 S+ 0 0 118 23,-0.3 -1,-0.3 -3,-0.2 24,-0.2 0.270 84.0 140.7 -96.1 9.2 -26.0 9.5 9.6 52 54 A A < - 0 0 24 -3,-1.8 2,-0.5 22,-0.2 18,-0.1 -0.254 35.7-159.3 -56.7 136.5 -22.5 7.9 9.0 53 55 A T - 0 0 48 16,-0.4 16,-3.0 122,-0.1 2,-0.2 -0.901 3.3-163.0-122.2 99.9 -21.0 8.8 5.6 54 56 A S E +E 68 0B 0 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.507 13.1 172.5 -76.9 151.6 -18.3 6.4 4.3 55 57 A L E - 0 0 84 12,-3.1 118,-2.2 1,-0.4 2,-0.3 0.675 51.3 -2.2-124.7 -42.4 -16.0 7.7 1.6 56 58 A R E -EF 67 172B 84 11,-1.0 11,-3.2 116,-0.3 -1,-0.4 -0.987 47.4-136.1-157.6 155.1 -13.2 5.4 0.7 57 59 A I E -EF 66 171B 0 114,-2.5 114,-2.2 -2,-0.3 2,-0.4 -0.989 26.4-168.8-124.2 135.3 -11.4 2.2 1.5 58 60 A L E -EF 65 170B 33 7,-2.3 7,-2.5 -2,-0.4 2,-0.8 -0.977 24.3-147.5-131.6 128.7 -7.6 2.0 1.7 59 61 A N E +E 64 0B 0 110,-2.7 109,-3.1 -2,-0.4 110,-0.2 -0.870 21.6 180.0 -87.1 109.9 -5.0 -0.7 1.9 60 62 A N - 0 0 53 3,-1.8 4,-0.1 -2,-0.8 -1,-0.1 0.286 52.8-100.2 -99.1 10.3 -2.3 1.0 4.0 61 63 A G S S+ 0 0 5 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.293 118.1 53.4 90.1 -7.8 0.2 -1.9 4.1 62 64 A H S S- 0 0 34 1,-0.5 2,-0.2 -58,-0.1 166,-0.1 0.595 124.2 -29.2-124.6 -36.3 -0.9 -3.0 7.6 63 65 A A S S- 0 0 6 -5,-0.1 -3,-1.8 31,-0.1 -1,-0.5 -0.827 71.0 -89.2-157.3-168.1 -4.7 -3.4 7.3 64 66 A F E -E 59 0B 0 -2,-0.2 2,-0.5 29,-0.2 29,-0.5 -0.991 34.6-152.6-117.4 137.6 -7.5 -1.8 5.3 65 67 A N E -E 58 0B 24 -7,-2.5 -7,-2.3 -2,-0.4 2,-0.7 -0.926 7.8-151.9-108.3 130.0 -9.3 1.3 6.6 66 68 A V E -EG 57 91B 0 25,-2.9 25,-2.0 -2,-0.5 2,-0.3 -0.907 29.3-150.1 -95.5 116.5 -12.9 2.2 5.7 67 69 A E E -EG 56 90B 47 -11,-3.2 -12,-3.1 -2,-0.7 -11,-1.0 -0.684 11.1-158.7 -99.3 143.1 -12.8 5.9 6.0 68 70 A F E -E 54 0B 8 21,-2.5 2,-0.7 -2,-0.3 -14,-0.2 -0.827 28.6-104.9-117.9 151.9 -15.7 8.3 7.0 69 71 A D + 0 0 37 -16,-3.0 -16,-0.4 -2,-0.3 6,-0.3 -0.689 40.2 170.2 -69.5 114.0 -16.5 11.9 6.5 70 72 A D + 0 0 43 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 -0.054 42.1 109.9-116.3 29.6 -15.8 13.4 10.0 71 73 A S S S+ 0 0 89 2,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.517 86.3 22.8 -83.7 -7.5 -16.2 17.1 9.0 72 74 A Q S S- 0 0 112 -3,-0.2 2,-0.9 3,-0.0 3,-0.3 -0.962 99.9 -80.9-146.8 168.8 -19.4 17.4 10.9 73 75 A D S S+ 0 0 93 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.611 78.0 118.6 -70.9 104.0 -21.2 15.7 13.8 74 76 A K + 0 0 42 -2,-0.9 2,-0.8 1,-0.2 -23,-0.3 0.405 67.1 33.1-124.4 -81.3 -22.8 12.7 12.1 75 77 A A S S+ 0 0 6 -6,-0.3 13,-2.8 -3,-0.3 2,-0.3 -0.719 78.6 170.9 -89.9 107.3 -21.6 9.3 13.4 76 78 A V E -DH 48 87B 8 -28,-1.7 -28,-2.9 -2,-0.8 2,-0.5 -0.912 30.0-153.8-128.1 149.5 -20.9 9.5 17.2 77 79 A L E +DH 47 86B 0 9,-2.8 9,-2.2 -2,-0.3 2,-0.3 -0.962 33.3 145.3-113.1 130.2 -20.1 7.4 20.1 78 80 A K E +D 46 0B 58 -32,-2.3 -32,-2.7 -2,-0.5 7,-0.1 -0.898 34.5 41.6-150.4-178.6 -21.0 8.6 23.6 79 81 A G E > S+D 45 0B 18 5,-0.5 3,-2.3 3,-0.3 -34,-0.2 -0.354 73.3 86.0 71.5-154.2 -22.1 7.4 27.0 80 82 A G T 3 S- 0 0 4 -36,-1.7 -37,-1.0 1,-0.3 -1,-0.1 -0.429 121.8 -24.4 56.6-129.9 -20.6 4.3 28.5 81 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.470 116.2 111.6 -86.2 -1.0 -17.4 5.3 30.3 82 84 A L < - 0 0 12 -3,-2.3 2,-0.5 -39,-0.1 -3,-0.3 -0.463 55.0-153.3 -86.9 143.5 -17.1 8.4 28.1 83 85 A D S S- 0 0 138 -2,-0.2 2,-0.1 53,-0.1 -1,-0.0 -0.942 70.4 -9.0-101.7 128.9 -17.4 12.1 28.9 84 86 A G S S- 0 0 54 -2,-0.5 -5,-0.5 38,-0.1 2,-0.4 -0.397 99.3 -43.6 84.2-159.2 -18.4 14.1 25.9 85 87 A T - 0 0 31 -7,-0.1 38,-2.4 -2,-0.1 2,-0.4 -0.923 39.0-161.9-125.4 134.7 -18.7 13.1 22.2 86 88 A Y E -HI 77 122B 5 -9,-2.2 -9,-2.8 -2,-0.4 2,-0.4 -0.968 14.2-142.8-120.2 130.7 -16.5 11.1 20.0 87 89 A R E -HI 76 121B 43 34,-2.8 34,-2.1 -2,-0.4 2,-0.3 -0.744 18.8-118.8 -98.4 131.8 -16.7 11.2 16.1 88 90 A L E + I 0 120B 2 -13,-2.8 32,-0.2 -2,-0.4 -13,-0.2 -0.504 38.1 163.9 -67.5 127.9 -16.2 8.1 13.9 89 91 A I E - 0 0 38 30,-2.7 -21,-2.5 1,-0.4 2,-0.3 0.707 59.7 -22.5-113.3 -36.2 -13.2 8.5 11.5 90 92 A Q E -GI 67 119B 35 29,-1.1 29,-2.8 -23,-0.2 -1,-0.4 -0.979 47.7-144.4-164.3 158.7 -12.4 5.0 10.3 91 93 A F E +GI 66 118B 0 -25,-2.0 -25,-2.9 -2,-0.3 2,-0.3 -0.961 22.6 161.4-126.1 157.8 -12.8 1.3 11.0 92 94 A H E - I 0 117B 24 25,-1.7 25,-3.1 -2,-0.3 2,-0.3 -0.940 23.8-126.2-154.7 176.4 -10.4 -1.6 10.3 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.2 -0.850 0.4-148.8-126.9 163.6 -9.7 -5.2 11.3 94 96 A H E + I 0 115B 4 21,-1.8 21,-2.3 -2,-0.3 2,-0.3 -0.987 32.0 168.5-125.3 136.7 -6.9 -7.3 12.7 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.7 -0.930 24.1-115.3-148.7 172.8 -6.9 -11.0 11.7 96 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.443 24.0-120.2-106.8 174.7 -5.0 -14.3 11.6 97 99 A S S S+ 0 0 42 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.600 106.0 26.9 -80.1 -16.0 -3.5 -16.8 9.2 98 100 A L S > S- 0 0 109 3,-0.2 3,-1.5 15,-0.1 -2,-0.2 -0.950 90.5-107.3-143.2 158.2 -5.8 -19.4 10.7 99 101 A D T 3 S+ 0 0 75 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.770 110.3 70.6 -62.5 -25.6 -9.2 -19.2 12.5 100 102 A G T 3 S+ 0 0 60 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.393 106.6 26.7 -75.6 3.4 -7.5 -19.9 15.9 101 103 A Q < + 0 0 54 -3,-1.5 -5,-0.6 12,-0.1 -3,-0.2 -0.977 65.5 98.4-156.1 165.5 -5.8 -16.5 16.1 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.033 54.1 107.0 142.9 -33.2 -6.2 -13.0 14.9 103 105 A S - 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