==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-MAY-10 3MYQ . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.GRAZULIS,E.MANAKOVA,D.GOLOVENKO . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11687.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 63.0 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 21.8 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 . 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 . 23 8.9 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 4 A H 0 0 171 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.2 10.1 0.1 8.7 2 5 A W + 0 0 49 1,-0.1 2,-0.2 2,-0.1 7,-0.2 -0.295 360.0 127.2 -70.2 153.0 7.8 -1.4 11.2 3 6 A G - 0 0 7 5,-2.6 10,-0.1 2,-0.1 58,-0.1 -0.806 67.7 -74.1-168.8-144.9 5.4 -4.3 10.3 4 7 A Y S S+ 0 0 36 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.218 83.7 107.4-123.2 16.8 4.4 -7.7 11.4 5 8 A G S > S- 0 0 37 4,-0.1 4,-2.2 1,-0.1 3,-0.2 -0.246 83.3 -93.9 -84.6-179.4 7.4 -9.9 10.3 6 9 A K T 4 S+ 0 0 165 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.894 125.5 38.7 -57.6 -36.9 10.3 -11.7 12.2 7 10 A H T 4 S+ 0 0 154 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.676 132.8 18.2 -98.0 -14.6 12.5 -8.8 11.6 8 11 A N T 4 S+ 0 0 47 -3,-0.2 -5,-2.6 -6,-0.1 -2,-0.2 0.196 93.9 118.6-139.6 19.7 10.2 -5.8 12.1 9 12 A G S >X S- 0 0 0 -4,-2.2 3,-2.8 -5,-0.2 4,-0.7 0.090 83.6 -63.7 -83.2-172.7 7.1 -7.2 14.0 10 13 A P G >4 S+ 0 0 24 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.741 128.1 60.1 -46.7 -35.2 5.8 -6.3 17.4 11 14 A E G 34 S+ 0 0 107 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.639 109.0 46.1 -75.8 -7.9 8.8 -7.4 19.4 12 15 A H G X> S+ 0 0 46 -3,-2.8 3,-1.9 1,-0.1 4,-0.5 0.588 86.0 88.8-100.3 -16.4 10.9 -4.9 17.5 13 16 A W H XX S+ 0 0 5 -4,-0.7 4,-2.5 -3,-0.7 3,-0.7 0.788 73.1 71.6 -62.4 -28.9 8.7 -1.8 17.7 14 17 A H H 34 S+ 0 0 67 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.746 87.5 64.7 -59.1 -27.9 10.1 -0.6 21.0 15 18 A K H <4 S+ 0 0 129 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.923 117.4 25.5 -65.3 -42.4 13.4 0.5 19.3 16 19 A D H << S+ 0 0 103 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.722 135.1 35.9 -82.7 -31.3 11.6 3.1 17.2 17 20 A F >< - 0 0 54 -4,-2.5 3,-2.7 1,-0.1 -1,-0.2 -0.767 67.5-175.2-129.3 82.1 8.7 3.6 19.6 18 21 A P G > S+ 0 0 101 0, 0.0 3,-1.7 0, 0.0 -4,-0.1 0.689 79.0 70.5 -52.4 -29.9 9.9 3.4 23.3 19 22 A I G > S+ 0 0 66 1,-0.3 3,-3.7 179,-0.2 5,-0.2 0.615 70.8 91.8 -62.9 -16.0 6.4 3.7 24.8 20 23 A A G < S+ 0 0 6 -3,-2.7 -1,-0.3 1,-0.3 -6,-0.1 0.769 92.1 45.5 -48.0 -26.2 5.8 0.2 23.3 21 24 A K G < S+ 0 0 139 -3,-1.7 -1,-0.3 -7,-0.1 -2,-0.2 0.028 98.7 128.7-103.0 30.3 7.1 -0.7 26.9 22 25 A G S X S- 0 0 11 -3,-3.7 3,-0.5 1,-0.1 -3,-0.1 0.107 72.4-100.4 -80.6-172.9 4.8 1.9 28.5 23 26 A E T 3 S+ 0 0 121 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.559 112.2 33.3 -88.9 -9.3 2.3 1.8 31.3 24 27 A R T 3 S+ 0 0 45 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.322 79.1 155.2-143.4 53.5 -1.0 1.7 29.3 25 28 A Q < - 0 0 3 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.556 33.2-101.3 -84.0 151.6 -0.2 -0.3 26.2 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.886 77.4 40.5-122.4 159.3 -2.8 -2.3 24.2 27 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.577 65.5 177.3 -78.5-177.8 -4.1 -4.8 23.5 28 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.920 36.9 -99.2-138.6 160.7 -4.5 -6.8 26.7 29 32 A D E -a 105 0A 32 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.736 35.1-138.6 -74.0 134.1 -5.9 -10.1 27.8 30 33 A I E -a 106 0A 0 75,-3.1 77,-2.7 -2,-0.4 2,-0.9 -0.842 10.8-157.2 -99.3 107.4 -9.3 -9.5 29.3 31 34 A D > - 0 0 64 -2,-0.9 4,-1.1 75,-0.2 3,-0.2 -0.726 6.5-161.9 -80.1 105.0 -9.5 -11.7 32.4 32 35 A T T 4 S+ 0 0 40 -2,-0.9 -1,-0.2 1,-0.2 3,-0.1 0.831 84.1 54.2 -69.0 -23.7 -13.3 -11.9 32.7 33 36 A H T 4 S+ 0 0 165 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.864 113.1 41.3 -79.0 -31.9 -13.3 -13.1 36.2 34 37 A T T 4 S+ 0 0 100 -3,-0.2 2,-0.2 2,-0.1 218,-0.2 0.422 86.2 109.2 -97.3 0.6 -11.1 -10.1 37.5 35 38 A A S < S- 0 0 16 -4,-1.1 2,-0.6 216,-0.1 218,-0.2 -0.571 72.9-127.1 -68.1 137.2 -12.9 -7.5 35.4 36 39 A K E -c 253 0B 120 216,-2.5 218,-2.6 -2,-0.2 2,-0.3 -0.805 10.4-129.5 -94.7 121.4 -14.9 -5.4 37.8 37 40 A Y E -c 254 0B 104 -2,-0.6 218,-0.2 216,-0.2 3,-0.1 -0.560 22.9-161.0 -65.0 126.8 -18.6 -4.9 37.1 38 41 A D > - 0 0 33 216,-2.8 3,-2.1 -2,-0.3 -1,-0.1 -0.895 12.4-170.6-115.8 100.7 -19.2 -1.1 37.4 39 42 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.732 86.1 64.3 -66.2 -14.0 -22.9 -0.4 37.9 40 43 A S T 3 S+ 0 0 84 -3,-0.1 2,-0.2 2,-0.1 215,-0.1 0.531 77.5 105.5 -83.9 -5.2 -22.1 3.3 37.3 41 44 A L < - 0 0 29 -3,-2.1 3,-0.1 213,-0.2 38,-0.0 -0.549 67.8-135.9 -71.7 141.8 -21.0 2.7 33.7 42 45 A K - 0 0 120 37,-1.2 39,-0.1 -2,-0.2 3,-0.1 -0.529 26.1 -87.8 -95.3 162.6 -23.7 3.9 31.2 43 46 A P - 0 0 111 0, 0.0 36,-2.0 0, 0.0 2,-0.2 -0.389 52.1-105.8 -58.9 144.5 -25.0 2.1 28.1 44 47 A L E -D 78 0B 12 141,-0.3 2,-0.6 34,-0.3 34,-0.2 -0.538 27.9-144.5 -69.5 142.6 -22.8 2.8 25.2 45 48 A S E -D 77 0B 45 32,-2.8 32,-2.3 -2,-0.2 2,-0.6 -0.956 18.4-178.0-110.5 108.7 -24.5 5.3 22.7 46 49 A V E -D 76 0B 31 -2,-0.6 2,-0.7 30,-0.2 30,-0.2 -0.938 1.2-178.9-106.6 111.2 -23.6 4.4 19.1 47 50 A S E +D 75 0B 42 28,-2.8 28,-2.0 -2,-0.6 3,-0.2 -0.834 23.0 144.1-117.2 86.7 -25.1 6.8 16.7 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.8 26,-0.2 130,-0.2 0.294 32.0 111.1-108.1 9.0 -24.2 5.8 13.3 49 52 A D T 3 S+ 0 0 93 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.826 86.9 37.4 -52.1 -35.3 -27.4 6.7 11.4 50 53 A Q T 3 S+ 0 0 124 23,-0.9 -1,-0.3 -3,-0.2 24,-0.1 0.118 83.7 147.2-108.0 17.3 -25.8 9.6 9.4 51 54 A A < - 0 0 23 -3,-1.8 2,-0.5 1,-0.1 23,-0.1 -0.290 32.8-157.6 -52.6 139.5 -22.4 8.0 8.9 52 55 A T - 0 0 46 16,-0.3 16,-2.6 122,-0.1 2,-0.2 -0.874 4.4-164.0-123.3 96.2 -20.7 8.9 5.6 53 56 A S E +E 67 0B 1 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.500 11.5 174.8 -72.6 152.1 -18.1 6.5 4.5 54 57 A L E - 0 0 80 12,-3.3 118,-2.3 1,-0.4 2,-0.3 0.706 49.8 -7.4-121.9 -45.9 -15.8 7.8 1.8 55 58 A R E -EF 66 171B 83 11,-1.0 11,-3.0 116,-0.3 -1,-0.4 -0.983 46.1-133.8-159.7 156.8 -13.0 5.5 0.8 56 59 A I E -EF 65 170B 0 114,-2.4 114,-2.3 -2,-0.3 2,-0.4 -0.984 28.3-170.9-124.0 136.4 -11.3 2.2 1.6 57 60 A L E -EF 64 169B 33 7,-2.3 7,-2.5 -2,-0.4 2,-0.8 -0.987 25.2-144.3-134.6 130.0 -7.5 2.2 1.7 58 61 A N E -E 63 0B 0 110,-2.9 109,-2.7 -2,-0.4 5,-0.2 -0.890 22.2-177.9 -87.2 111.6 -4.8 -0.6 1.9 59 62 A N - 0 0 47 3,-2.1 4,-0.1 -2,-0.8 -1,-0.1 0.336 51.2-101.0 -96.9 11.3 -2.2 1.2 4.1 60 63 A G S S+ 0 0 5 2,-0.6 106,-0.1 166,-0.2 3,-0.1 0.329 117.7 52.6 90.6 -12.1 0.3 -1.6 4.0 61 64 A H S S- 0 0 43 1,-0.6 2,-0.2 -58,-0.1 166,-0.1 0.571 125.5 -30.5-122.0 -34.9 -0.7 -2.9 7.6 62 65 A A S S- 0 0 6 -5,-0.1 -3,-2.1 164,-0.1 -2,-0.6 -0.837 71.7 -88.4-159.3-170.1 -4.4 -3.3 7.3 63 66 A F E -E 58 0B 0 29,-0.3 2,-0.5 -2,-0.2 29,-0.5 -0.990 33.5-152.6-117.3 142.4 -7.2 -1.7 5.3 64 67 A N E -E 57 0B 23 -7,-2.5 -7,-2.3 -2,-0.4 2,-0.7 -0.913 8.2-153.3-110.0 131.5 -9.1 1.4 6.6 65 68 A V E -EG 56 90B 0 25,-2.9 25,-2.0 -2,-0.5 2,-0.3 -0.932 30.4-152.2 -93.8 118.7 -12.7 2.3 5.8 66 69 A E E -EG 55 89B 41 -11,-3.0 -12,-3.3 -2,-0.7 -11,-1.0 -0.677 11.0-159.1-101.9 148.8 -12.7 6.0 6.2 67 70 A F E -E 53 0B 8 21,-2.7 2,-0.8 -2,-0.3 -14,-0.2 -0.847 31.1-101.6-122.2 158.0 -15.5 8.4 7.1 68 71 A D + 0 0 35 -16,-2.6 -16,-0.3 -2,-0.3 3,-0.3 -0.670 40.7 173.1 -74.6 113.6 -16.2 12.0 6.8 69 72 A D + 0 0 40 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.020 47.4 104.5-111.3 30.5 -15.5 13.3 10.3 70 73 A S S S+ 0 0 83 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.403 88.5 25.7 -95.2 1.7 -15.9 17.0 9.5 71 74 A Q S S- 0 0 115 -3,-0.3 2,-1.1 3,-0.0 3,-0.4 -0.926 100.5 -86.1-146.0 171.1 -19.3 17.1 11.3 72 75 A D S S+ 0 0 95 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.728 78.1 126.7 -85.8 95.8 -21.1 15.0 14.1 73 76 A K S S+ 0 0 43 -2,-1.1 -23,-0.9 1,-0.2 2,-0.4 0.466 72.0 24.6-119.9 -36.8 -22.4 12.3 11.9 74 77 A A S S+ 0 0 6 -3,-0.4 13,-3.6 -24,-0.1 2,-0.4 -0.850 84.4 169.4-135.5 105.0 -21.2 9.0 13.3 75 78 A V E -DH 47 86B 13 -28,-2.0 -28,-2.8 -2,-0.4 2,-0.4 -0.914 29.5-153.2-130.5 146.8 -20.6 9.4 17.0 76 79 A L E +DH 46 85B 0 9,-2.9 9,-2.5 -2,-0.4 2,-0.3 -0.956 30.9 148.0-111.8 136.0 -19.9 7.4 20.1 77 80 A K E +D 45 0B 65 -32,-2.3 -32,-2.8 -2,-0.4 7,-0.1 -0.871 37.7 38.0-153.3 179.8 -20.8 8.6 23.5 78 81 A G E > S+D 44 0B 18 5,-0.4 3,-2.7 3,-0.3 -34,-0.3 -0.327 73.1 90.0 67.3-152.3 -21.9 7.4 26.9 79 82 A G T 3 S- 0 0 3 -36,-2.0 -37,-1.2 1,-0.3 -1,-0.1 -0.414 120.2 -28.4 62.2-137.6 -20.4 4.2 28.1 80 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.424 116.5 110.7 -81.8 -1.7 -17.3 5.2 30.1 81 84 A L < - 0 0 10 -3,-2.7 2,-0.5 -39,-0.1 -3,-0.3 -0.512 57.7-149.8 -89.5 147.0 -16.8 8.3 27.9 82 85 A D S S- 0 0 139 -2,-0.2 -1,-0.0 -5,-0.1 -3,-0.0 -0.902 71.2 -10.4 -98.4 137.6 -17.2 12.0 28.8 83 86 A G S S- 0 0 51 -2,-0.5 2,-0.4 38,-0.1 -5,-0.4 -0.271 99.9 -41.5 69.2-163.1 -18.3 14.0 25.8 84 87 A T - 0 0 33 -7,-0.1 38,-2.8 -9,-0.0 2,-0.5 -0.810 38.7-161.7-125.9 132.3 -18.5 13.0 22.1 85 88 A Y E -HI 76 121B 5 -9,-2.5 -9,-2.9 -2,-0.4 2,-0.4 -0.975 13.8-143.0-119.1 127.7 -16.3 11.0 19.9 86 89 A R E -HI 75 120B 42 34,-2.8 34,-2.3 -2,-0.5 2,-0.3 -0.744 19.7-118.7 -96.7 132.8 -16.5 11.1 16.1 87 90 A L E + I 0 119B 3 -13,-3.6 32,-0.3 -2,-0.4 -13,-0.1 -0.496 36.8 166.5 -64.4 126.8 -15.9 8.0 13.9 88 91 A I E - 0 0 36 30,-2.9 -21,-2.7 1,-0.4 2,-0.3 0.737 60.1 -26.4-107.7 -39.8 -12.9 8.5 11.6 89 92 A Q E -GI 66 118B 32 29,-1.3 29,-2.9 -23,-0.3 -1,-0.4 -0.986 47.4-142.3-163.8 161.2 -12.2 5.0 10.3 90 93 A F E +GI 65 117B 0 -25,-2.0 -25,-2.9 -2,-0.3 2,-0.3 -0.972 23.5 161.7-126.7 159.2 -12.6 1.3 11.0 91 94 A H E - I 0 116B 21 25,-1.8 25,-3.1 -2,-0.3 2,-0.3 -0.924 23.3-127.3-157.2 177.2 -10.2 -1.5 10.2 92 95 A F E - I 0 115B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.862 0.5-148.5-129.8 162.3 -9.5 -5.1 11.2 93 96 A H E + I 0 114B 2 21,-2.1 21,-2.1 -2,-0.3 2,-0.3 -0.978 31.2 167.0-123.4 142.9 -6.7 -7.3 12.5 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.3 19,-0.2 145,-1.0 -0.947 24.3-115.6-153.9 169.9 -6.8 -11.0 11.5 95 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.453 24.3-118.7-106.8 177.4 -4.8 -14.1 11.4 96 99 A S S S+ 0 0 43 142,-0.2 2,-0.3 -2,-0.2 5,-0.1 0.613 106.3 31.6 -84.6 -11.2 -3.3 -16.6 9.0 97 100 A L S > S- 0 0 104 3,-0.3 3,-1.7 15,-0.1 -2,-0.2 -0.951 89.3-111.1-141.8 156.3 -5.6 -19.2 10.6 98 101 A D T 3 S+ 0 0 74 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.727 110.4 69.0 -65.0 -23.5 -9.0 -19.1 12.2 99 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.389 107.1 27.7 -76.9 5.6 -7.4 -19.8 15.6 100 103 A Q < + 0 0 52 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.3 -0.974 65.2 99.0-154.8 164.9 -5.7 -16.4 15.9 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.003 54.5 107.5 141.1 -30.9 -6.0 -12.8 14.7 102 105 A S - 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