==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 29-FEB-12 4DZ9 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.AGGARWAL,R.MCKENNA . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 62.3 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 . 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 8.6 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 . 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 4 A H 0 0 193 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.4 10.2 0.4 9.0 2 5 A W + 0 0 43 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.181 360.0 128.7 -68.5 151.4 7.8 -1.3 11.4 3 6 A G - 0 0 6 5,-2.5 10,-0.1 2,-0.2 -1,-0.1 -0.764 65.7 -79.0-164.3-143.8 5.5 -4.1 10.5 4 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.151 82.9 110.0-126.5 14.7 4.4 -7.6 11.6 5 8 A G S > S- 0 0 40 1,-0.1 4,-1.6 4,-0.1 3,-0.5 -0.268 83.6 -94.7 -86.7 176.9 7.3 -9.7 10.3 6 9 A K T 4 S+ 0 0 182 1,-0.2 5,-0.1 2,-0.2 -1,-0.1 0.845 123.5 36.8 -55.3 -39.5 10.1 -11.5 12.1 7 10 A H T 4 S+ 0 0 155 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.545 130.8 25.3-102.5 -6.0 12.5 -8.6 11.8 8 11 A N T 4 S+ 0 0 55 -3,-0.5 -5,-2.5 -6,-0.0 -2,-0.2 0.249 95.4 116.0-138.8 14.9 10.2 -5.6 12.2 9 12 A G S >X S- 0 0 3 -4,-1.6 3,-3.1 -7,-0.2 4,-0.9 0.101 84.3 -63.2 -83.7-171.0 7.3 -6.9 14.2 10 13 A P T 34 S+ 0 0 28 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.704 127.9 59.2 -48.4 -31.8 5.9 -6.2 17.7 11 14 A E T 34 S+ 0 0 143 1,-0.2 -5,-0.0 2,-0.1 -2,-0.0 0.609 110.3 44.5 -74.8 -12.4 9.1 -7.3 19.5 12 15 A H T X4 S+ 0 0 56 -3,-3.1 3,-1.8 1,-0.1 4,-0.5 0.607 87.1 88.9 -99.0 -19.9 11.1 -4.7 17.7 13 16 A W G >X S+ 0 0 6 -4,-0.9 4,-2.6 -3,-0.3 3,-1.0 0.795 74.0 69.3 -56.2 -32.6 8.7 -1.7 17.9 14 17 A H G 34 S+ 0 0 67 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.727 87.6 67.1 -61.8 -23.3 10.2 -0.4 21.2 15 18 A K G <4 S+ 0 0 132 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.902 117.0 23.5 -67.6 -39.2 13.4 0.6 19.6 16 19 A D T <4 S+ 0 0 113 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.731 136.3 36.4 -92.1 -25.6 11.7 3.3 17.5 17 20 A F >< - 0 0 50 -4,-2.6 3,-2.5 1,-0.1 -1,-0.2 -0.758 64.6-179.0-130.5 80.9 8.7 3.8 19.9 18 21 A P G > S+ 0 0 100 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.717 75.8 77.1 -57.2 -22.5 9.9 3.4 23.5 19 22 A I G > S+ 0 0 55 1,-0.3 3,-2.5 179,-0.2 -5,-0.1 0.660 70.4 88.7 -63.6 -11.1 6.3 3.9 24.7 20 23 A A G < S+ 0 0 7 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.752 91.1 45.0 -52.9 -27.0 5.9 0.3 23.6 21 24 A K G < S+ 0 0 139 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 0.011 96.4 128.8-105.4 24.3 7.0 -0.6 27.1 22 25 A G S < S- 0 0 15 -3,-2.5 3,-0.5 1,-0.1 -3,-0.0 0.096 72.3 -99.2 -76.4-173.5 4.8 2.0 28.8 23 26 A E S S+ 0 0 122 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.538 112.5 33.8 -89.0 -11.4 2.3 2.0 31.6 24 27 A R S S+ 0 0 47 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.277 79.0 155.7-142.7 56.6 -0.9 1.8 29.6 25 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.504 32.1 -99.4 -85.3 152.7 -0.3 -0.2 26.4 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 38.3-126.2 159.2 -2.8 -2.2 24.4 27 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.595 66.0 176.8 -77.8-179.8 -4.1 -4.7 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.923 35.9 -98.3-136.6 162.5 -4.5 -6.7 26.8 29 32 A D E -a 105 0A 28 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.723 33.5-139.6 -76.5 133.3 -5.9 -10.0 28.0 30 33 A I E -a 106 0A 0 75,-2.9 77,-2.6 -2,-0.4 2,-0.9 -0.873 10.7-159.5 -97.9 103.7 -9.4 -9.5 29.5 31 34 A D >> - 0 0 67 -2,-0.8 4,-1.6 75,-0.2 3,-0.7 -0.796 4.9-160.9 -85.5 105.1 -9.6 -11.8 32.5 32 35 A T T 34 S+ 0 0 43 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.793 86.2 52.2 -65.2 -27.5 -13.4 -12.0 32.8 33 36 A H T 34 S+ 0 0 170 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.795 113.1 44.3 -80.8 -22.9 -13.3 -13.2 36.4 34 37 A T T <4 S+ 0 0 101 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.637 89.4 100.1 -97.4 -17.9 -11.0 -10.3 37.5 35 38 A A S < S- 0 0 17 -4,-1.6 2,-0.5 216,-0.1 218,-0.2 -0.416 70.9-133.7 -64.8 144.5 -12.9 -7.6 35.6 36 39 A K E -c 253 0B 121 216,-2.2 218,-2.6 -2,-0.1 2,-0.2 -0.896 6.7-123.4-112.8 130.5 -15.1 -5.6 37.9 37 40 A Y E -c 254 0B 82 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.438 21.4-161.5 -61.2 130.9 -18.7 -4.7 37.3 38 41 A D > - 0 0 44 216,-2.5 3,-2.6 -2,-0.2 -1,-0.1 -0.882 3.6-167.4-118.9 95.5 -19.1 -0.9 37.7 39 42 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.654 85.1 62.2 -64.5 -14.3 -22.8 -0.3 38.2 40 43 A S T 3 S+ 0 0 89 -3,-0.1 2,-0.3 2,-0.1 215,-0.1 0.527 75.6 111.8 -86.2 -9.0 -22.3 3.4 37.6 41 44 A L < - 0 0 28 -3,-2.6 3,-0.1 213,-0.2 -3,-0.0 -0.521 66.1-134.4 -65.3 130.8 -21.0 2.8 34.0 42 45 A K - 0 0 141 37,-1.0 39,-0.1 -2,-0.3 2,-0.1 -0.338 24.8 -90.6 -82.5 160.5 -23.6 4.2 31.6 43 46 A P - 0 0 111 0, 0.0 36,-1.6 0, 0.0 -1,-0.1 -0.449 49.1-103.3 -65.1 148.5 -24.9 2.5 28.5 44 47 A L E -D 78 0B 15 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.421 26.0-147.4 -63.1 147.6 -23.0 3.2 25.4 45 48 A S E -D 77 0B 40 32,-2.6 32,-2.1 -2,-0.1 2,-0.7 -0.955 16.7-177.9-119.0 106.9 -24.6 5.6 22.9 46 49 A V E -D 76 0B 34 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.927 0.6-178.6-107.3 108.8 -23.7 4.6 19.4 47 50 A S E +D 75 0B 42 28,-2.9 28,-2.2 -2,-0.7 3,-0.2 -0.814 24.3 141.7-114.5 88.6 -25.2 7.1 16.9 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.7 26,-0.2 130,-0.2 0.261 34.2 106.6-109.6 8.8 -24.3 6.0 13.4 49 52 A D T 3 S+ 0 0 93 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.826 88.0 41.0 -63.5 -29.6 -27.5 6.8 11.5 50 53 A Q T 3 S+ 0 0 128 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.207 83.5 146.1-102.6 16.5 -25.9 9.8 9.8 51 54 A A < - 0 0 23 -3,-1.7 2,-0.5 22,-0.1 -3,-0.1 -0.251 33.6-158.9 -56.2 137.1 -22.6 8.2 9.1 52 55 A T - 0 0 47 16,-0.3 16,-2.7 122,-0.1 2,-0.2 -0.885 5.8-165.0-122.2 93.8 -20.9 9.3 5.9 53 56 A S E +E 67 0B 2 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.507 11.7 173.4 -74.4 149.1 -18.3 6.8 4.6 54 57 A L E - 0 0 78 12,-2.9 118,-2.1 1,-0.4 2,-0.3 0.694 49.4 -6.7-120.4 -45.5 -16.0 8.1 1.9 55 58 A R E -EF 66 171B 87 11,-1.0 11,-2.9 117,-0.3 2,-0.4 -0.982 45.7-134.3-160.1 153.5 -13.2 5.7 1.0 56 59 A I E -EF 65 170B 0 114,-2.4 114,-2.1 -2,-0.3 2,-0.4 -0.989 27.5-170.9-122.4 135.4 -11.4 2.5 1.7 57 60 A L E -EF 64 169B 33 7,-2.3 7,-2.5 -2,-0.4 2,-0.8 -0.987 24.9-145.7-132.5 129.2 -7.6 2.4 1.8 58 61 A N E -E 63 0B 0 110,-2.9 109,-3.0 -2,-0.4 5,-0.2 -0.873 22.4-179.9 -86.1 111.6 -5.0 -0.3 2.0 59 62 A N - 0 0 51 3,-1.9 4,-0.1 -2,-0.8 -1,-0.1 0.302 52.2-100.7 -99.3 10.2 -2.3 1.4 4.1 60 63 A G S S+ 0 0 5 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.298 117.6 53.7 90.9 -8.7 0.2 -1.5 4.2 61 64 A H S S- 0 0 40 1,-0.5 2,-0.2 -58,-0.1 166,-0.1 0.550 125.0 -29.5-124.3 -28.0 -0.8 -2.7 7.7 62 65 A A S S- 0 0 6 -5,-0.1 -3,-1.9 165,-0.1 -1,-0.5 -0.867 71.3 -89.1-162.6-171.7 -4.6 -3.1 7.4 63 66 A F E -E 58 0B 0 29,-0.3 2,-0.5 -2,-0.2 29,-0.5 -0.991 34.6-153.1-115.8 139.0 -7.4 -1.5 5.4 64 67 A N E -E 57 0B 22 -7,-2.5 -7,-2.3 -2,-0.4 2,-0.7 -0.919 8.6-153.6-109.9 129.1 -9.2 1.6 6.7 65 68 A V E -EG 56 90B 0 25,-2.7 25,-1.9 -2,-0.5 2,-0.3 -0.924 29.5-151.8 -93.9 117.4 -12.8 2.5 5.8 66 69 A E E -EG 55 89B 47 -11,-2.9 -12,-2.9 -2,-0.7 -11,-1.0 -0.685 11.4-161.1-100.2 148.5 -12.8 6.3 6.3 67 70 A F E -E 53 0B 8 21,-2.6 2,-0.8 -2,-0.3 -14,-0.2 -0.835 32.4 -97.9-124.3 158.0 -15.6 8.6 7.3 68 71 A D + 0 0 34 -16,-2.7 -16,-0.3 -2,-0.3 5,-0.3 -0.668 42.4 171.0 -71.9 108.2 -16.4 12.3 7.1 69 72 A D + 0 0 41 -2,-0.8 -1,-0.1 1,-0.1 17,-0.1 -0.046 47.8 102.4-111.7 29.9 -15.5 13.5 10.5 70 73 A S S S+ 0 0 83 56,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.402 90.7 24.3 -91.6 1.7 -15.8 17.2 9.8 71 74 A Q S S- 0 0 118 -3,-0.2 2,-1.8 3,-0.1 3,-0.4 -0.953 100.1 -86.5-152.1 166.4 -19.2 17.3 11.6 72 75 A D S S+ 0 0 90 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.554 75.2 130.2 -78.3 80.9 -21.0 15.2 14.2 73 76 A K S S+ 0 0 48 -2,-1.8 -23,-0.8 1,-0.4 2,-0.4 0.757 73.9 20.5-103.3 -40.2 -22.4 12.6 11.9 74 77 A A S S+ 0 0 5 -3,-0.4 13,-2.7 -6,-0.2 -1,-0.4 -0.957 83.6 170.4-134.2 112.3 -21.4 9.4 13.5 75 78 A V E -DH 47 86B 16 -28,-2.2 -28,-2.9 -2,-0.4 2,-0.4 -0.940 29.1-149.7-134.2 151.6 -20.6 9.7 17.2 76 79 A L E +DH 46 85B 0 9,-2.8 9,-2.2 -2,-0.3 2,-0.3 -0.954 31.3 152.0-115.6 133.2 -19.9 7.6 20.2 77 80 A K E +D 45 0B 79 -32,-2.1 -32,-2.6 -2,-0.4 7,-0.1 -0.885 35.6 38.4-147.4 175.9 -20.9 8.9 23.7 78 81 A G E > S+D 44 0B 19 5,-0.4 3,-2.4 3,-0.3 -34,-0.3 -0.301 71.5 84.5 74.0-156.1 -21.8 7.5 27.1 79 82 A G T 3 S- 0 0 6 -36,-1.6 -37,-1.0 1,-0.3 -1,-0.1 -0.392 121.2 -23.2 55.5-132.2 -20.3 4.5 28.7 80 83 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.510 117.1 109.5 -81.6 -3.3 -17.1 5.6 30.4 81 84 A L < - 0 0 12 -3,-2.4 2,-0.5 -39,-0.1 -3,-0.3 -0.444 54.7-156.1 -86.4 145.8 -16.8 8.6 28.2 82 85 A D - 0 0 136 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.964 68.3 -4.0-107.4 130.1 -17.3 12.3 28.9 83 86 A G S S- 0 0 50 -2,-0.5 2,-0.4 38,-0.1 -5,-0.4 -0.355 97.9 -44.0 85.7-165.3 -18.2 14.2 25.8 84 87 A T - 0 0 35 -7,-0.1 38,-2.6 -2,-0.1 2,-0.5 -0.883 40.1-164.8-120.6 129.3 -18.5 13.4 22.2 85 88 A Y E -HI 76 121B 5 -9,-2.2 -9,-2.8 -2,-0.4 2,-0.4 -0.970 14.4-142.5-118.9 127.0 -16.3 11.2 20.0 86 89 A R E -HI 75 120B 44 34,-2.8 34,-2.1 -2,-0.5 2,-0.3 -0.716 18.1-118.7 -93.6 135.5 -16.5 11.3 16.2 87 90 A L E + I 0 119B 2 -13,-2.7 32,-0.3 -2,-0.4 -13,-0.2 -0.514 37.7 165.4 -69.3 124.7 -16.0 8.2 14.1 88 91 A I E - 0 0 33 30,-2.7 -21,-2.6 1,-0.4 2,-0.3 0.758 59.6 -24.3-108.2 -38.1 -13.0 8.7 11.7 89 92 A Q E -GI 66 118B 32 29,-1.1 29,-3.0 -23,-0.2 -1,-0.4 -0.984 47.4-142.7-164.6 160.2 -12.4 5.2 10.4 90 93 A F E +GI 65 117B 0 -25,-1.9 -25,-2.7 -2,-0.3 2,-0.3 -0.965 23.9 160.7-127.8 157.4 -12.7 1.5 11.1 91 94 A H E - I 0 116B 22 25,-1.8 25,-3.1 -2,-0.3 2,-0.3 -0.934 23.5-127.1-156.9 174.4 -10.3 -1.3 10.3 92 95 A F E - I 0 115B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.880 0.5-148.6-126.7 162.9 -9.6 -4.9 11.4 93 96 A H E + I 0 114B 3 21,-2.1 21,-2.2 -2,-0.3 2,-0.3 -0.978 31.3 170.4-122.9 141.8 -6.8 -7.1 12.6 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.9 -0.938 23.3-117.6-152.4 169.3 -6.8 -10.8 11.6 95 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.446 22.5-123.8-103.4 173.2 -5.0 -14.0 11.5 96 99 A S S S+ 0 0 44 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.563 105.0 35.8 -84.0 -13.8 -3.5 -16.5 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 90.2-113.7-137.9 152.5 -5.6 -19.2 10.8 98 101 A D T 3 S+ 0 0 75 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.751 110.7 65.8 -64.3 -22.5 -9.1 -19.0 12.4 99 102 A G T 3 S+ 0 0 55 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.339 106.9 35.3 -82.0 7.9 -7.6 -19.6 15.9 100 103 A Q < + 0 0 50 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.3 -0.979 65.3 93.3-152.8 162.4 -5.7 -16.3 15.9 101 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 -0.005 55.8 106.8 142.8 -32.7 -6.1 -12.7 14.8 102 105 A S - 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