==== 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 4DZ7 . 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) . 11860.0 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 . 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 0 180 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.3 10.1 0.5 9.0 2 5 A W + 0 0 31 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.239 360.0 131.4 -68.8 154.7 7.8 -1.3 11.4 3 6 A G - 0 0 10 5,-2.6 10,-0.1 2,-0.2 -1,-0.1 -0.755 64.4 -78.4-165.4-144.4 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 0.166 83.1 109.0-126.3 14.9 4.5 -7.6 11.6 5 8 A G S >> S- 0 0 40 4,-0.1 4,-1.6 1,-0.1 3,-0.5 -0.272 83.9 -95.6 -87.0 177.1 7.4 -9.7 10.4 6 9 A K T 34 S+ 0 0 178 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.843 123.4 38.6 -59.4 -35.1 10.1 -11.5 12.3 7 10 A H T 34 S+ 0 0 155 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.548 131.4 23.4-100.4 -6.3 12.6 -8.6 11.8 8 11 A N T <4 S+ 0 0 56 -3,-0.5 -5,-2.6 -6,-0.1 -2,-0.2 0.250 95.8 116.9-140.4 14.4 10.2 -5.6 12.2 9 12 A G S >X S- 0 0 3 -4,-1.6 3,-3.0 -7,-0.2 4,-0.8 0.075 84.4 -63.5 -81.8-172.4 7.3 -7.0 14.3 10 13 A P T 34 S+ 0 0 31 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.710 128.2 60.0 -47.9 -31.9 5.9 -6.2 17.7 11 14 A E T 34 S+ 0 0 146 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.649 110.2 43.7 -73.0 -14.4 9.1 -7.3 19.6 12 15 A H T X4 S+ 0 0 57 -3,-3.0 3,-1.8 1,-0.1 4,-0.5 0.602 87.1 89.1 -99.7 -20.1 11.1 -4.7 17.7 13 16 A W G >X S+ 0 0 5 -4,-0.8 4,-2.4 -3,-0.3 3,-1.1 0.813 74.1 69.7 -56.6 -32.2 8.7 -1.7 17.9 14 17 A H G 34 S+ 0 0 67 -4,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.728 87.4 67.1 -60.1 -23.0 10.1 -0.4 21.2 15 18 A K G <4 S+ 0 0 133 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.891 116.8 23.7 -69.5 -37.2 13.4 0.6 19.6 16 19 A D T <4 S+ 0 0 127 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.698 136.3 36.2 -93.7 -24.1 11.7 3.4 17.5 17 20 A F >< - 0 0 54 -4,-2.4 3,-2.5 1,-0.1 -1,-0.2 -0.757 65.0-178.8-132.1 79.6 8.7 3.8 19.8 18 21 A P G > S+ 0 0 98 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.729 75.6 77.1 -58.0 -21.6 9.9 3.4 23.5 19 22 A I G > S+ 0 0 65 1,-0.3 3,-2.6 179,-0.2 -5,-0.1 0.662 70.3 88.5 -63.8 -11.3 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 0.739 91.2 45.3 -52.8 -26.6 5.8 0.3 23.6 21 24 A K G < S+ 0 0 136 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 0.024 96.2 126.3-104.9 23.1 7.0 -0.5 27.1 22 25 A G S < S- 0 0 13 -3,-2.6 3,-0.5 1,-0.1 -3,-0.0 0.092 73.6 -97.0 -78.0-170.9 4.8 2.1 28.8 23 26 A E S S+ 0 0 122 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.515 112.7 34.0 -89.3 -10.5 2.3 2.0 31.6 24 27 A R S S+ 0 0 45 224,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.279 78.5 156.2-144.1 55.8 -1.0 1.8 29.6 25 28 A Q - 0 0 4 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.504 32.2-100.3 -84.4 151.6 -0.3 -0.3 26.4 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.883 77.6 38.9-126.2 158.1 -2.8 -2.2 24.4 27 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.603 66.0 176.6 -78.5-179.8 -4.1 -4.7 23.7 28 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.921 36.2 -98.2-136.4 162.5 -4.5 -6.7 26.9 29 32 A D E -a 105 0A 27 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.740 33.2-140.5 -77.7 133.7 -6.0 -10.0 28.0 30 33 A I E -a 106 0A 0 75,-2.8 77,-2.7 -2,-0.4 2,-0.9 -0.876 10.7-159.5 -97.5 103.4 -9.4 -9.5 29.5 31 34 A D >> - 0 0 67 -2,-0.8 4,-1.4 75,-0.2 3,-0.6 -0.806 5.0-160.2 -86.2 107.2 -9.6 -11.8 32.5 32 35 A T T 34 S+ 0 0 42 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.779 86.2 52.3 -67.8 -26.3 -13.4 -12.0 32.8 33 36 A H T 34 S+ 0 0 172 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.819 113.0 44.5 -81.5 -24.8 -13.3 -13.2 36.4 34 37 A T T <4 S+ 0 0 95 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.608 87.1 105.4 -95.0 -15.9 -11.1 -10.3 37.5 35 38 A A S < S- 0 0 19 -4,-1.4 2,-0.6 216,-0.1 218,-0.2 -0.396 71.6-127.2 -63.6 144.7 -12.9 -7.6 35.6 36 39 A K E -c 253 0B 117 216,-2.4 218,-2.7 -2,-0.1 2,-0.2 -0.853 9.4-131.2-102.7 120.1 -15.0 -5.4 38.0 37 40 A Y E -c 254 0B 83 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.503 20.6-162.8 -62.0 130.4 -18.7 -4.8 37.4 38 41 A D > - 0 0 24 216,-2.6 3,-2.4 -2,-0.2 -1,-0.1 -0.878 8.3-167.4-121.1 98.0 -19.2 -1.0 37.7 39 42 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.648 86.1 62.3 -61.9 -15.2 -23.0 -0.4 38.2 40 43 A S T 3 S+ 0 0 91 -3,-0.1 2,-0.3 2,-0.1 215,-0.1 0.494 74.6 111.1 -88.8 -7.2 -22.4 3.3 37.6 41 44 A L < - 0 0 28 -3,-2.4 3,-0.1 213,-0.2 -3,-0.0 -0.561 66.7-133.4 -67.0 131.0 -21.1 2.8 34.0 42 45 A K - 0 0 143 37,-0.9 39,-0.1 -2,-0.3 3,-0.1 -0.359 24.8 -90.3 -82.2 158.3 -23.7 4.2 31.6 43 46 A P - 0 0 112 0, 0.0 36,-1.7 0, 0.0 -1,-0.1 -0.401 48.9-103.7 -61.1 147.2 -25.0 2.4 28.5 44 47 A L E -D 78 0B 15 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.455 26.3-147.6 -63.5 145.7 -23.1 3.1 25.3 45 48 A S E -D 77 0B 43 32,-2.7 32,-2.2 -2,-0.1 2,-0.6 -0.944 17.0-178.5-117.9 106.8 -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 -0.923 0.9-178.6-106.9 110.7 -23.7 4.6 19.3 47 50 A S E +D 75 0B 38 28,-2.8 28,-2.0 -2,-0.6 3,-0.2 -0.819 24.2 141.8-116.4 89.1 -25.3 7.1 16.9 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.8 26,-0.2 130,-0.2 0.275 33.7 106.9-109.9 8.3 -24.4 6.0 13.4 49 52 A D T 3 S+ 0 0 94 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.824 87.6 41.1 -65.5 -27.4 -27.5 6.8 11.5 50 53 A Q T 3 S+ 0 0 132 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.177 83.6 146.2-102.9 16.9 -26.0 9.9 9.7 51 54 A A < - 0 0 22 -3,-1.8 2,-0.5 1,-0.1 23,-0.1 -0.281 33.5-159.0 -56.5 136.9 -22.6 8.2 9.1 52 55 A T - 0 0 45 16,-0.3 16,-2.6 122,-0.1 2,-0.2 -0.888 5.6-164.8-121.6 95.1 -21.0 9.3 5.8 53 56 A S E +E 67 0B 2 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.500 11.9 173.3 -75.2 150.8 -18.4 6.8 4.6 54 57 A L E - 0 0 80 12,-2.9 118,-2.0 1,-0.4 2,-0.3 0.702 49.2 -5.0-121.9 -45.0 -16.0 8.1 1.9 55 58 A R E -EF 66 171B 89 11,-1.1 11,-2.9 116,-0.3 -1,-0.4 -0.982 45.4-134.9-159.8 153.4 -13.2 5.7 1.0 56 59 A I E -EF 65 170B 0 114,-2.4 114,-2.2 -2,-0.3 2,-0.4 -0.988 27.9-171.8-122.6 135.5 -11.4 2.5 1.7 57 60 A L E -EF 64 169B 32 7,-2.2 7,-2.5 -2,-0.4 2,-0.8 -0.989 24.9-145.9-133.5 129.7 -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 -0.878 21.9-180.0 -88.5 111.7 -5.0 -0.3 2.0 59 62 A N - 0 0 40 3,-1.9 4,-0.1 -2,-0.8 -1,-0.1 0.318 52.7 -99.7 -99.4 11.0 -2.3 1.4 4.1 60 63 A G S S+ 0 0 14 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.297 117.7 52.9 91.8 -10.5 0.2 -1.5 4.2 61 64 A H S S- 0 0 48 1,-0.5 2,-0.2 -58,-0.1 166,-0.1 0.540 124.6 -27.8-125.2 -23.3 -0.8 -2.7 7.7 62 65 A A S S- 0 0 3 -5,-0.1 -3,-1.9 165,-0.1 -2,-0.5 -0.876 70.9 -90.0-164.6-172.4 -4.6 -3.0 7.4 63 66 A F E -E 58 0B 0 29,-0.3 2,-0.5 -2,-0.2 29,-0.5 -0.990 34.7-154.1-115.8 138.3 -7.5 -1.5 5.4 64 67 A N E -E 57 0B 22 -7,-2.5 -7,-2.2 -2,-0.4 2,-0.7 -0.925 9.1-153.0-110.7 128.6 -9.3 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 -0.922 29.3-152.0 -93.4 117.2 -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,-1.1 -0.691 11.2-161.0-100.6 148.4 -12.8 6.3 6.3 67 70 A F E -E 53 0B 8 21,-2.6 2,-0.7 -2,-0.3 -14,-0.2 -0.825 32.8 -97.2-124.1 158.5 -15.6 8.6 7.2 68 71 A D + 0 0 35 -16,-2.6 -16,-0.3 -2,-0.3 5,-0.3 -0.668 42.7 171.4 -72.1 109.2 -16.4 12.3 7.0 69 72 A D + 0 0 42 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 -0.028 48.4 102.0-112.2 28.9 -15.5 13.5 10.5 70 73 A S S S+ 0 0 82 56,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.409 90.7 24.6 -91.0 1.0 -15.8 17.2 9.8 71 74 A Q S S- 0 0 116 -3,-0.2 2,-1.9 3,-0.1 3,-0.4 -0.953 99.9 -86.9-150.4 166.2 -19.2 17.3 11.5 72 75 A D S S+ 0 0 91 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.528 75.6 130.0 -76.5 78.3 -21.0 15.3 14.2 73 76 A K S S+ 0 0 49 -2,-1.9 -23,-0.8 1,-0.4 2,-0.4 0.751 74.2 20.5-101.9 -39.3 -22.4 12.6 11.9 74 77 A A S S+ 0 0 5 -3,-0.4 13,-2.8 -6,-0.2 -1,-0.4 -0.945 83.5 169.7-135.2 112.5 -21.4 9.4 13.5 75 78 A V E -DH 47 86B 13 -28,-2.0 -28,-2.8 -2,-0.4 2,-0.4 -0.944 29.4-149.1-134.5 150.2 -20.6 9.7 17.2 76 79 A L E +DH 46 85B 0 9,-2.9 9,-2.2 -2,-0.3 2,-0.3 -0.952 31.2 152.8-113.7 133.6 -19.9 7.6 20.2 77 80 A K E +D 45 0B 69 -32,-2.2 -32,-2.7 -2,-0.4 7,-0.1 -0.885 36.2 37.0-145.7 176.8 -20.9 8.9 23.7 78 81 A G E > S+D 44 0B 20 5,-0.4 3,-2.5 -2,-0.3 -34,-0.3 -0.305 71.4 85.2 74.0-156.4 -21.9 7.5 27.1 79 82 A G T 3 S- 0 0 6 -36,-1.7 -37,-0.9 1,-0.3 -1,-0.1 -0.399 121.0 -22.8 57.0-133.4 -20.4 4.5 28.6 80 83 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.488 117.0 109.4 -80.1 -2.0 -17.2 5.5 30.4 81 84 A L < - 0 0 14 -3,-2.5 2,-0.5 -39,-0.1 -3,-0.3 -0.442 54.6-156.2 -87.5 146.9 -16.9 8.6 28.2 82 85 A D - 0 0 135 -2,-0.2 2,-0.0 -5,-0.1 -1,-0.0 -0.960 68.9 -3.2-106.3 133.3 -17.4 12.3 28.9 83 86 A G S S- 0 0 49 -2,-0.5 2,-0.4 38,-0.1 -5,-0.4 -0.280 97.6 -44.7 80.8-167.2 -18.2 14.2 25.8 84 87 A T - 0 0 34 -7,-0.1 38,-2.6 -9,-0.0 2,-0.5 -0.863 39.4-164.3-120.4 129.9 -18.5 13.4 22.2 85 88 A Y E -HI 76 121B 5 -9,-2.2 -9,-2.9 -2,-0.4 2,-0.4 -0.970 14.2-142.7-119.0 127.2 -16.3 11.2 20.0 86 89 A R E -HI 75 120B 44 34,-2.7 34,-2.1 -2,-0.5 2,-0.4 -0.708 18.3-118.5 -93.8 135.5 -16.5 11.3 16.2 87 90 A L E + I 0 119B 2 -13,-2.8 32,-0.3 -2,-0.4 -13,-0.2 -0.529 37.6 165.3 -69.7 123.3 -16.0 8.2 14.0 88 91 A I E - 0 0 32 30,-2.7 -21,-2.6 1,-0.4 2,-0.3 0.752 59.9 -26.6-105.9 -39.0 -13.1 8.7 11.7 89 92 A Q E -GI 66 118B 30 29,-1.2 29,-2.8 -23,-0.2 -1,-0.4 -0.983 47.1-141.6-165.0 161.5 -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 -0.963 24.0 162.0-127.8 156.4 -12.7 1.5 11.1 91 94 A H E - I 0 116B 21 25,-1.8 25,-3.0 -2,-0.3 2,-0.3 -0.927 23.3-127.2-155.3 175.2 -10.3 -1.3 10.4 92 95 A F E - I 0 115B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.878 0.2-148.9-127.2 161.3 -9.6 -4.9 11.4 93 96 A H E + I 0 114B 3 21,-2.0 21,-2.2 -2,-0.3 2,-0.3 -0.977 31.4 170.0-122.6 141.1 -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 -0.936 23.4-117.4-152.0 169.3 -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 -0.458 22.8-122.8-105.0 173.3 -4.9 -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 0.573 105.2 34.8 -82.2 -15.2 -3.5 -16.5 9.0 97 100 A L S > S- 0 0 103 3,-0.3 3,-1.7 15,-0.1 -2,-0.2 -0.950 90.0-113.1-138.5 153.4 -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 0.742 110.6 66.4 -64.6 -22.8 -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 0.354 107.0 34.1 -81.9 8.3 -7.6 -19.6 15.8 100 103 A Q < + 0 0 51 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.3 -0.979 65.2 93.8-153.7 161.6 -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 0.016 55.3 107.1 143.7 -30.6 -6.0 -12.7 14.8 102 105 A S - 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