==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 01-OCT-09 3K34 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.A.BEHNKE,I.LE TRONG,E.A.MERRITT,D.C.TELLER,R.E.STENKAMP . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11939.0 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 . 58 22.5 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 . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.4 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 0 2 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 0 181 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 71.3 13.3 -0.8 7.4 2 4 A H - 0 0 152 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.339 360.0 -89.4 -91.2 151.1 9.7 0.2 8.5 3 5 A W + 0 0 56 -2,-0.2 2,-0.2 1,-0.1 -1,-0.2 -0.265 60.5 132.5 -67.4 154.6 7.6 -1.4 11.1 4 6 A G - 0 0 6 5,-2.8 10,-0.1 2,-0.2 -1,-0.1 -0.765 65.1 -76.1-163.3-144.3 5.4 -4.3 10.3 5 7 A Y S S+ 0 0 37 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.185 84.2 107.1-125.3 10.8 4.4 -7.7 11.5 6 8 A G S >> S- 0 0 40 4,-0.1 4,-1.6 1,-0.1 3,-0.6 -0.226 84.8 -94.6 -83.5 177.9 7.4 -9.9 10.3 7 9 A K T 34 S+ 0 0 171 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.853 123.7 37.7 -60.7 -38.1 10.2 -11.5 12.3 8 10 A H T 34 S+ 0 0 138 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.494 131.4 25.3 -97.2 -5.9 12.6 -8.5 11.8 9 11 A N T <4 S+ 0 0 46 -3,-0.6 -5,-2.8 -6,-0.1 -2,-0.2 0.233 96.0 109.2-137.1 15.0 10.1 -5.7 12.0 10 12 A G S >X S- 0 0 3 -4,-1.6 3,-3.0 -5,-0.2 4,-0.9 0.086 86.7 -59.6 -92.8-165.5 7.2 -6.9 14.1 11 13 A P T 34 S+ 0 0 27 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.744 127.5 58.4 -49.0 -30.9 5.9 -6.1 17.7 12 14 A E T 34 S+ 0 0 144 1,-0.2 -5,-0.0 2,-0.1 -2,-0.0 0.591 111.1 43.8 -77.4 -9.1 9.1 -7.2 19.5 13 15 A H T X4 S+ 0 0 53 -3,-3.0 3,-1.8 1,-0.1 4,-0.5 0.606 87.9 88.2-101.7 -17.3 11.1 -4.6 17.5 14 16 A W G >X S+ 0 0 5 -4,-0.9 4,-2.5 -3,-0.5 3,-1.1 0.802 74.6 70.2 -58.5 -30.6 8.7 -1.6 17.7 15 17 A H G 34 S+ 0 0 64 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.733 86.5 66.3 -59.9 -23.2 10.1 -0.3 20.9 16 18 A K G <4 S+ 0 0 128 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 117.7 23.9 -71.1 -34.3 13.4 0.8 19.3 17 19 A D T <4 S+ 0 0 121 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.684 136.3 35.9 -95.3 -18.7 11.7 3.4 17.2 18 20 A F >< - 0 0 57 -4,-2.5 3,-2.8 1,-0.1 -1,-0.2 -0.728 66.0-179.4-130.9 80.0 8.7 3.8 19.5 19 21 A P G > S+ 0 0 101 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.748 75.7 76.2 -59.3 -22.0 9.9 3.5 23.1 20 22 A I G > S+ 0 0 54 1,-0.3 3,-2.6 179,-0.2 5,-0.2 0.643 70.7 88.6 -62.1 -10.1 6.3 4.0 24.4 21 23 A A G < S+ 0 0 6 -3,-2.8 -1,-0.3 1,-0.3 -6,-0.1 0.747 91.9 44.8 -53.2 -28.0 5.8 0.4 23.3 22 24 A K G < S+ 0 0 140 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 -0.004 97.1 129.8-102.0 22.5 7.1 -0.4 26.8 23 25 A G S < S- 0 0 15 -3,-2.6 3,-0.5 1,-0.1 -3,-0.1 0.119 71.8-100.2 -75.2-175.7 4.8 2.2 28.4 24 26 A E S S+ 0 0 125 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.552 112.6 33.7 -85.4 -11.9 2.4 2.1 31.3 25 27 A R S S+ 0 0 48 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.253 78.6 155.6-146.2 58.7 -0.8 1.9 29.3 26 28 A Q - 0 0 2 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.480 32.5 -99.2 -87.7 155.0 -0.2 -0.1 26.2 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.889 78.2 39.8-126.1 158.6 -2.8 -2.1 24.2 28 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.582 65.7 177.2 -77.5-179.6 -4.1 -4.6 23.6 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.927 36.0 -99.9-136.0 161.4 -4.4 -6.5 26.8 30 32 A D E -a 106 0A 30 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.701 33.2-139.4 -78.7 136.4 -5.9 -9.8 28.0 31 33 A I E -a 107 0A 0 75,-2.9 77,-2.7 -2,-0.4 2,-0.9 -0.873 10.6-159.0-100.1 104.5 -9.3 -9.2 29.5 32 34 A D > - 0 0 65 -2,-0.8 4,-1.8 75,-0.2 3,-0.4 -0.789 6.0-160.0 -85.7 108.0 -9.5 -11.5 32.6 33 35 A T T 4 S+ 0 0 41 -2,-0.9 -1,-0.2 1,-0.2 222,-0.0 0.781 85.5 53.9 -69.2 -27.2 -13.3 -11.7 32.9 34 36 A H T 4 S+ 0 0 166 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.838 111.8 44.7 -76.9 -27.4 -13.2 -12.8 36.5 35 37 A T T 4 S+ 0 0 106 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.704 91.1 96.9 -85.9 -28.0 -11.0 -9.8 37.6 36 38 A A < - 0 0 17 -4,-1.8 2,-0.4 218,-0.1 218,-0.2 -0.417 68.2-145.3 -61.2 142.3 -13.0 -7.2 35.6 37 39 A K E -c 254 0B 139 216,-1.8 218,-2.5 -2,-0.1 -2,-0.1 -0.925 14.4-112.2-115.7 136.7 -15.5 -5.5 37.8 38 40 A Y E -c 255 0B 106 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.365 31.1-151.7 -58.8 136.1 -18.9 -4.1 37.1 39 41 A D > - 0 0 30 216,-2.4 3,-1.4 1,-0.1 -1,-0.1 -0.892 15.0-170.9-117.6 104.0 -18.8 -0.3 37.3 40 42 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.676 82.9 70.3 -67.9 -10.8 -22.1 1.3 38.2 41 43 A S T 3 S+ 0 0 92 -3,-0.1 2,-0.2 2,-0.1 -3,-0.0 0.716 73.8 104.6 -80.8 -10.9 -20.6 4.7 37.4 42 44 A L < - 0 0 29 -3,-1.4 3,-0.1 213,-0.2 38,-0.1 -0.428 66.6-141.1 -68.9 136.9 -20.6 3.9 33.6 43 45 A K E -D 80 0B 124 37,-1.9 37,-0.7 -2,-0.2 39,-0.1 -0.475 39.4 -70.8 -88.8 173.3 -23.4 5.7 31.8 44 46 A P E - 0 0 99 0, 0.0 36,-0.7 0, 0.0 2,-0.3 -0.281 53.6-120.5 -61.9 141.7 -25.3 4.1 29.0 45 47 A L E -D 79 0B 24 34,-0.3 2,-0.5 -3,-0.1 34,-0.2 -0.628 25.4-161.0 -84.3 139.6 -23.2 3.7 25.8 46 48 A S E -D 78 0B 42 32,-3.0 32,-2.3 -2,-0.3 2,-0.6 -0.965 12.2-176.8-126.6 115.8 -24.5 5.4 22.7 47 49 A V E -D 77 0B 33 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.963 8.8-178.3-110.4 106.3 -23.4 4.4 19.3 48 50 A S E +D 76 0B 38 28,-3.0 28,-1.8 -2,-0.6 3,-0.2 -0.793 21.5 145.9-117.0 91.0 -25.1 6.8 16.8 49 51 A Y > + 0 0 4 -2,-0.7 3,-2.0 26,-0.2 130,-0.2 0.335 31.2 111.2-109.7 10.5 -24.1 5.9 13.3 50 52 A D T 3 S+ 0 0 111 1,-0.3 -1,-0.2 24,-0.2 25,-0.1 0.846 86.5 39.0 -56.4 -30.4 -27.3 6.7 11.3 51 53 A Q T 3 S+ 0 0 129 23,-0.3 24,-0.3 -3,-0.2 -1,-0.3 0.283 81.9 143.9-108.4 20.7 -25.7 9.6 9.5 52 54 A A < - 0 0 21 -3,-2.0 2,-0.6 22,-0.3 18,-0.1 -0.258 34.1-159.1 -59.7 138.5 -22.3 8.1 9.0 53 55 A T - 0 0 47 16,-0.4 16,-2.9 122,-0.1 2,-0.1 -0.895 4.2-161.9-126.0 99.4 -20.7 9.0 5.6 54 56 A S E +E 68 0B 0 -2,-0.6 121,-0.6 122,-0.3 14,-0.3 -0.472 11.1 178.0 -76.8 156.5 -18.1 6.7 4.4 55 57 A L E - 0 0 77 12,-3.4 118,-2.4 1,-0.4 2,-0.3 0.712 51.3 -9.6-119.2 -50.1 -15.7 8.0 1.7 56 58 A R E -EF 67 172B 84 11,-1.2 11,-2.9 116,-0.3 -1,-0.4 -0.988 46.0-131.3-157.9 161.4 -13.1 5.5 0.8 57 59 A I E -EF 66 171B 0 114,-2.4 114,-2.2 -2,-0.3 2,-0.4 -0.981 28.6-171.5-125.9 135.8 -11.3 2.3 1.6 58 60 A L E -EF 65 170B 33 7,-2.5 7,-2.5 -2,-0.4 2,-0.7 -0.979 25.4-144.8-135.6 131.1 -7.5 2.2 1.7 59 61 A N E -E 64 0B 0 110,-2.9 109,-3.1 -2,-0.4 5,-0.2 -0.881 21.8-180.0 -88.7 110.3 -4.8 -0.6 1.9 60 62 A N - 0 0 49 3,-2.0 4,-0.1 -2,-0.7 -1,-0.1 0.247 52.3-102.2 -98.4 12.3 -2.2 1.2 4.0 61 63 A G S S+ 0 0 6 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.400 116.7 55.6 85.4 -5.7 0.2 -1.8 4.1 62 64 A H S S- 0 0 42 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.599 125.2 -31.9-127.7 -34.4 -0.8 -2.9 7.6 63 65 A A S S- 0 0 6 -5,-0.1 -3,-2.0 31,-0.1 -1,-0.6 -0.817 72.1 -88.6-157.9-164.6 -4.5 -3.3 7.3 64 66 A F E -E 59 0B 0 -2,-0.3 2,-0.5 29,-0.2 29,-0.5 -0.987 34.0-151.1-118.4 139.8 -7.3 -1.6 5.3 65 67 A N E -E 58 0B 21 -7,-2.5 -7,-2.5 -2,-0.4 2,-0.7 -0.910 8.8-152.8-108.6 130.6 -9.1 1.4 6.5 66 68 A V E -EG 57 91B 0 25,-2.8 25,-2.0 -2,-0.5 2,-0.3 -0.915 30.9-152.7 -92.1 114.0 -12.8 2.4 5.7 67 69 A E E -EG 56 90B 43 -11,-2.9 -12,-3.4 -2,-0.7 -11,-1.2 -0.740 9.3-156.1 -98.0 147.1 -12.6 6.2 6.1 68 70 A F E -E 54 0B 9 21,-2.6 2,-0.9 -2,-0.3 -14,-0.2 -0.817 27.8-108.0-121.6 153.6 -15.4 8.5 7.0 69 71 A D + 0 0 48 -16,-2.9 -16,-0.4 -2,-0.3 3,-0.3 -0.751 38.4 176.2 -77.8 113.4 -16.1 12.1 6.5 70 72 A D + 0 0 45 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 0.021 46.6 106.1-109.5 29.5 -15.6 13.5 10.0 71 73 A S S S+ 0 0 87 2,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.553 81.8 39.4 -83.1 -6.6 -16.0 17.2 9.1 72 74 A Q S S- 0 0 122 -3,-0.3 2,-1.5 3,-0.0 3,-0.3 -0.908 98.9 -90.5-137.4 163.5 -19.5 17.3 10.8 73 75 A D S S+ 0 0 91 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.557 79.5 116.6 -84.6 94.8 -21.1 15.9 13.8 74 76 A K + 0 0 45 -2,-1.5 2,-1.0 1,-0.3 -23,-0.3 0.564 60.1 32.7-122.7 -84.3 -22.5 12.7 12.4 75 77 A A S S+ 0 0 4 -24,-0.3 13,-3.0 -3,-0.3 2,-0.3 -0.742 79.3 167.8 -83.9 111.1 -21.4 9.2 13.5 76 78 A V E -DH 48 87B 14 -28,-1.8 -28,-3.0 -2,-1.0 2,-0.4 -0.906 34.3-149.1-135.9 152.3 -20.6 9.5 17.1 77 79 A L E +DH 47 86B 0 9,-2.9 9,-2.4 -2,-0.3 2,-0.3 -0.975 31.4 153.5-111.7 134.1 -19.8 7.5 20.2 78 80 A K E +D 46 0B 47 -32,-2.3 -32,-3.0 -2,-0.4 7,-0.1 -0.902 32.9 37.1-151.7 172.5 -20.8 8.8 23.6 79 81 A G E > S+D 45 0B 15 5,-0.5 3,-2.6 3,-0.4 -34,-0.3 -0.303 72.8 79.9 76.7-162.5 -21.7 7.6 27.1 80 82 A G E 3 S-D 43 0B 6 -37,-0.7 -37,-1.9 -36,-0.7 -1,-0.2 -0.404 122.8 -19.8 57.0-128.8 -20.2 4.7 28.8 81 83 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.500 115.0 111.3 -83.2 -2.4 -16.9 5.7 30.2 82 84 A L < - 0 0 18 -3,-2.6 2,-0.6 -39,-0.1 -3,-0.4 -0.524 57.4-149.7 -86.1 143.3 -16.7 8.7 27.8 83 85 A D - 0 0 115 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.912 69.9 -22.0-101.4 121.2 -16.9 12.3 28.7 84 86 A G S S- 0 0 42 -2,-0.6 -5,-0.5 38,-0.1 2,-0.4 -0.389 101.7 -30.0 76.2-151.6 -18.4 14.2 25.8 85 87 A T - 0 0 39 -7,-0.1 38,-2.7 -2,-0.1 2,-0.5 -0.879 41.9-165.3-118.6 134.4 -18.6 13.2 22.1 86 88 A Y E -HI 77 122B 3 -9,-2.4 -9,-2.9 -2,-0.4 2,-0.4 -0.964 15.5-144.0-120.7 130.0 -16.3 11.1 20.0 87 89 A R E -HI 76 121B 35 34,-2.9 34,-2.1 -2,-0.5 2,-0.3 -0.776 17.6-117.5-101.6 133.6 -16.5 11.2 16.2 88 90 A L E + I 0 120B 2 -13,-3.0 32,-0.3 -2,-0.4 -13,-0.2 -0.481 37.6 163.8 -67.9 129.7 -15.9 8.2 13.9 89 91 A I E - 0 0 35 30,-2.8 -21,-2.6 1,-0.4 2,-0.3 0.699 60.5 -22.4-113.7 -34.2 -13.0 8.7 11.6 90 92 A Q E -GI 67 119B 35 29,-1.2 29,-3.0 -23,-0.2 -1,-0.4 -0.980 47.8-145.4-163.6 161.4 -12.2 5.2 10.3 91 93 A F E +GI 66 118B 0 -25,-2.0 -25,-2.8 -2,-0.3 2,-0.3 -0.959 22.0 161.0-132.0 160.1 -12.5 1.5 11.0 92 94 A H E - I 0 117B 22 25,-1.8 25,-3.0 -2,-0.3 2,-0.3 -0.932 23.8-125.6-156.7 176.6 -10.2 -1.4 10.2 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.2 -0.867 0.4-149.4-127.9 164.5 -9.6 -5.0 11.3 94 96 A H E + I 0 115B 2 21,-2.0 21,-2.4 -2,-0.3 2,-0.3 -0.978 31.4 167.7-126.2 140.5 -6.8 -7.2 12.6 95 97 A W E - I 0 114B 2 -2,-0.4 146,-1.3 19,-0.2 145,-0.9 -0.940 24.3-115.6-153.3 171.1 -6.9 -10.8 11.6 96 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.444 23.7-120.1-104.3 174.6 -5.0 -14.1 11.5 97 99 A S S S+ 0 0 42 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.610 105.7 29.5 -81.5 -16.2 -3.6 -16.6 9.1 98 100 A L S > S- 0 0 109 3,-0.3 3,-1.6 15,-0.1 -2,-0.2 -0.936 90.7-109.4-142.7 155.9 -5.8 -19.2 10.8 99 101 A D T 3 S+ 0 0 77 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.756 109.8 69.9 -66.1 -20.8 -9.1 -19.0 12.5 100 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 11,-0.3 0.414 106.5 28.6 -78.1 4.7 -7.5 -19.7 15.9 101 103 A Q < + 0 0 53 -3,-1.6 -5,-0.6 12,-0.1 -3,-0.3 -0.974 66.2 97.8-154.1 163.5 -5.7 -16.3 16.1 102 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.038 54.2 107.0 143.4 -28.0 -6.1 -12.8 14.8 103 105 A S - 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