==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 14-MAY-10 3N0N . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.S.AVVARU,J.WAGNER,A.H.ROBBINS,R.MCKENNA . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 62.4 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 . 23 8.9 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 3 A H 0 0 180 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 77.7 13.6 -1.0 7.5 2 4 A H - 0 0 120 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.413 360.0 -75.8-107.0 169.0 10.2 0.2 8.9 3 5 A W + 0 0 30 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.212 62.7 124.3 -69.8 152.0 7.8 -1.4 11.3 4 6 A G - 0 0 6 5,-2.6 10,-0.1 2,-0.2 -1,-0.1 -0.774 67.3 -74.6-167.0-140.2 5.5 -4.2 10.5 5 7 A Y S S+ 0 0 36 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.129 83.9 107.6-128.7 13.1 4.5 -7.7 11.5 6 8 A G S > S- 0 0 39 1,-0.1 4,-1.5 4,-0.1 3,-0.3 -0.270 84.2 -94.4 -85.6-178.4 7.4 -9.8 10.3 7 9 A K T 4 S+ 0 0 179 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.862 123.4 38.6 -63.3 -34.7 10.2 -11.5 12.1 8 10 A H T 4 S+ 0 0 138 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.591 131.0 24.4 -99.7 -6.8 12.6 -8.7 11.7 9 11 A N T 4 S+ 0 0 43 -3,-0.3 -5,-2.6 -6,-0.1 -2,-0.2 0.243 94.3 119.4-139.3 15.7 10.2 -5.7 12.2 10 12 A G S >X S- 0 0 4 -4,-1.5 3,-2.8 -5,-0.2 4,-0.8 0.104 82.6 -66.7 -79.1-174.1 7.4 -7.1 14.3 11 13 A P T 34 S+ 0 0 31 0, 0.0 3,-0.4 0, 0.0 4,-0.4 0.738 127.7 60.4 -49.2 -32.5 5.9 -6.3 17.7 12 14 A E T 34 S+ 0 0 148 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.652 109.6 44.8 -71.0 -12.5 9.1 -7.4 19.6 13 15 A H T X4 S+ 0 0 58 -3,-2.8 3,-1.8 1,-0.1 4,-0.5 0.600 86.6 89.0-100.0 -20.6 11.1 -4.8 17.7 14 16 A W G >X S+ 0 0 5 -4,-0.8 4,-2.4 -3,-0.4 3,-0.7 0.785 73.7 70.0 -57.8 -29.6 8.8 -1.8 17.9 15 17 A H G 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.751 87.2 66.9 -63.6 -23.4 10.2 -0.5 21.2 16 18 A K G <4 S+ 0 0 129 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.898 117.1 23.6 -67.8 -40.5 13.5 0.5 19.5 17 19 A D T <4 S+ 0 0 113 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.695 136.2 37.1 -88.7 -23.8 11.8 3.2 17.4 18 20 A F >< - 0 0 46 -4,-2.4 3,-2.6 1,-0.1 -1,-0.2 -0.747 64.5-178.9-132.0 80.1 8.8 3.7 19.8 19 21 A P G > S+ 0 0 100 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.729 75.9 75.7 -61.4 -19.0 9.9 3.4 23.4 20 22 A I G > S+ 0 0 56 1,-0.3 3,-2.6 179,-0.2 -5,-0.1 0.625 70.6 90.8 -65.9 -9.9 6.4 3.9 24.7 21 23 A A G < S+ 0 0 6 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.763 91.2 43.1 -53.0 -27.0 5.9 0.3 23.5 22 24 A K G < S+ 0 0 139 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.011 97.0 128.6-107.4 25.3 7.0 -0.7 27.1 23 25 A G S < S- 0 0 15 -3,-2.6 3,-0.5 1,-0.1 -3,-0.0 0.101 72.7 -96.8 -76.5-172.6 4.8 2.1 28.7 24 26 A E S S+ 0 0 124 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.543 112.9 33.5 -86.6 -9.6 2.3 2.0 31.5 25 27 A R S S+ 0 0 48 224,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.256 78.8 156.0-146.5 55.2 -1.0 1.8 29.5 26 28 A Q - 0 0 2 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.482 31.8-100.4 -86.3 152.5 -0.3 -0.2 26.3 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.895 77.8 39.0-127.7 157.6 -2.8 -2.1 24.3 28 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.605 66.6 177.7 -78.8-178.9 -4.1 -4.7 23.6 29 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.912 36.0 -99.2-137.0 161.7 -4.5 -6.7 26.8 30 32 A D E -a 106 0A 31 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.730 34.0-139.7 -77.8 132.5 -5.9 -9.9 28.0 31 33 A I E -a 107 0A 0 75,-3.0 77,-2.7 -2,-0.4 2,-0.9 -0.876 10.3-158.1 -96.4 105.8 -9.4 -9.4 29.5 32 34 A D >> - 0 0 69 -2,-0.8 4,-1.9 75,-0.2 3,-0.6 -0.810 4.2-160.7 -85.1 104.9 -9.6 -11.7 32.5 33 35 A T T 34 S+ 0 0 44 -2,-0.9 -1,-0.2 1,-0.2 222,-0.0 0.760 87.0 52.9 -64.5 -26.9 -13.4 -12.0 32.9 34 36 A H T 34 S+ 0 0 171 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.815 112.8 43.1 -80.9 -25.9 -13.2 -13.1 36.5 35 37 A T T <4 S+ 0 0 110 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.700 90.4 97.5 -92.6 -21.8 -11.1 -10.1 37.6 36 38 A A < - 0 0 18 -4,-1.9 2,-0.4 218,-0.1 218,-0.2 -0.400 69.6-142.3 -63.1 140.9 -13.0 -7.4 35.6 37 39 A K E -c 254 0B 141 216,-1.7 218,-2.5 -2,-0.1 2,-0.1 -0.916 11.7-114.2-116.3 135.4 -15.4 -5.7 37.9 38 40 A Y E -c 255 0B 80 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.426 26.2-157.4 -58.0 132.6 -18.9 -4.5 37.2 39 41 A D > - 0 0 39 216,-2.4 3,-1.9 -2,-0.1 -1,-0.1 -0.911 7.7-169.5-116.4 98.6 -19.0 -0.7 37.5 40 42 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.696 83.0 67.2 -66.3 -15.0 -22.6 0.4 38.2 41 43 A S T 3 S+ 0 0 86 -3,-0.1 2,-0.5 2,-0.1 215,-0.1 0.455 70.2 110.2 -82.5 -5.7 -21.6 4.0 37.6 42 44 A L < - 0 0 31 -3,-1.9 3,-0.1 213,-0.2 38,-0.0 -0.650 66.6-138.8 -70.1 121.1 -20.9 3.4 33.8 43 45 A K - 0 0 118 37,-1.2 37,-0.3 -2,-0.5 39,-0.1 -0.236 36.6 -68.1 -75.1 169.9 -23.7 5.3 32.0 44 46 A P - 0 0 119 0, 0.0 36,-1.2 0, 0.0 2,-0.4 -0.297 51.3-120.1 -63.1 144.6 -25.5 3.9 29.0 45 47 A L E -D 79 0B 23 34,-0.3 2,-0.6 -3,-0.1 34,-0.2 -0.732 25.0-157.5 -85.6 130.7 -23.4 3.5 25.9 46 48 A S E -D 78 0B 48 32,-3.1 32,-2.3 -2,-0.4 2,-0.7 -0.920 14.0-179.3-123.5 110.0 -24.6 5.5 22.9 47 49 A V E -D 77 0B 32 -2,-0.6 2,-0.7 30,-0.2 30,-0.2 -0.938 6.7-179.7-108.2 107.6 -23.7 4.5 19.3 48 50 A S E +D 76 0B 44 28,-2.8 28,-2.1 -2,-0.7 3,-0.2 -0.836 22.0 144.6-114.0 89.9 -25.3 7.0 16.9 49 51 A Y > + 0 0 3 -2,-0.7 3,-1.7 26,-0.2 130,-0.2 0.251 32.8 109.0-109.8 11.5 -24.4 6.0 13.4 50 52 A D T 3 S+ 0 0 96 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.813 86.6 40.8 -64.8 -29.5 -27.6 6.8 11.4 51 53 A Q T 3 S+ 0 0 130 23,-0.9 -1,-0.3 -3,-0.2 24,-0.2 0.175 83.3 145.2-102.4 17.6 -26.0 9.8 9.7 52 54 A A < - 0 0 23 -3,-1.7 2,-0.5 22,-0.2 18,-0.1 -0.272 33.6-159.3 -60.2 139.2 -22.6 8.2 9.0 53 55 A T - 0 0 47 16,-0.3 16,-2.6 122,-0.1 2,-0.2 -0.883 4.7-164.5-122.0 96.4 -20.9 9.2 5.7 54 56 A S E +E 68 0B 1 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.493 12.0 173.2 -74.2 148.7 -18.3 6.7 4.5 55 57 A L E - 0 0 78 12,-3.2 118,-2.2 1,-0.4 2,-0.3 0.708 49.9 -3.2-118.7 -43.7 -16.0 8.0 1.8 56 58 A R E -EF 67 172B 85 11,-1.1 11,-2.9 116,-0.3 -1,-0.4 -0.972 46.3-135.8-157.0 156.2 -13.2 5.7 0.9 57 59 A I E -EF 66 171B 0 114,-2.3 114,-2.2 -2,-0.3 2,-0.4 -0.995 27.0-170.8-125.9 135.6 -11.4 2.5 1.6 58 60 A L E -EF 65 170B 34 7,-2.2 7,-2.6 -2,-0.4 2,-0.8 -0.987 24.5-146.4-134.0 129.3 -7.6 2.4 1.8 59 61 A N E -E 64 0B 0 110,-2.7 109,-3.0 -2,-0.4 5,-0.2 -0.879 21.7-179.4 -87.5 110.6 -5.0 -0.4 2.0 60 62 A N - 0 0 44 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.310 51.6-102.0 -97.3 9.9 -2.3 1.3 4.1 61 63 A G S S+ 0 0 6 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.332 117.7 55.6 87.5 -6.5 0.2 -1.6 4.2 62 64 A H S S- 0 0 37 1,-0.6 2,-0.2 -58,-0.1 166,-0.1 0.575 124.8 -32.6-123.4 -30.4 -0.8 -2.6 7.7 63 65 A A S S- 0 0 6 -5,-0.1 -3,-2.0 31,-0.1 -1,-0.6 -0.852 70.5 -90.0-166.5-172.4 -4.6 -3.1 7.4 64 66 A F E -E 59 0B 0 29,-0.3 29,-0.5 -2,-0.2 2,-0.5 -0.992 34.8-153.2-118.1 140.3 -7.4 -1.5 5.4 65 67 A N E -E 58 0B 20 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.6 -0.932 10.2-151.7-113.3 130.3 -9.3 1.5 6.7 66 68 A V E -EG 57 91B 0 25,-2.7 25,-1.9 -2,-0.5 2,-0.3 -0.901 30.4-152.3 -92.4 116.5 -12.9 2.5 5.8 67 69 A E E -EG 56 90B 47 -11,-2.9 -12,-3.2 -2,-0.6 -11,-1.1 -0.727 10.6-160.1 -99.9 148.1 -12.8 6.3 6.2 68 70 A F E -E 54 0B 9 21,-2.6 2,-0.7 -2,-0.3 -14,-0.2 -0.820 31.1 -99.5-123.2 158.5 -15.6 8.6 7.1 69 71 A D + 0 0 35 -16,-2.6 -16,-0.3 -2,-0.3 3,-0.2 -0.689 42.0 170.7 -74.8 109.6 -16.4 12.3 6.9 70 72 A D + 0 0 39 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 -0.024 46.5 103.9-112.7 27.3 -15.6 13.5 10.4 71 73 A S S S+ 0 0 85 56,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.372 89.7 27.9 -88.7 0.9 -15.9 17.3 9.6 72 74 A Q S S- 0 0 116 -3,-0.2 2,-1.4 3,-0.1 3,-0.4 -0.953 99.6 -89.4-149.6 163.6 -19.3 17.3 11.4 73 75 A D S S+ 0 0 91 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.642 75.1 128.5 -78.1 91.8 -21.0 15.4 14.2 74 76 A K S S+ 0 0 51 -2,-1.4 -23,-0.9 1,-0.3 2,-0.5 0.750 71.7 22.8-113.5 -49.6 -22.6 12.7 12.0 75 77 A A S S+ 0 0 6 -3,-0.4 13,-2.8 -6,-0.2 -1,-0.3 -0.979 83.6 169.1-124.1 112.4 -21.6 9.3 13.4 76 78 A V E -DH 48 87B 17 -28,-2.1 -28,-2.8 -2,-0.5 2,-0.4 -0.936 31.1-147.1-133.3 153.7 -20.7 9.6 17.1 77 79 A L E +DH 47 86B 0 9,-2.9 9,-2.3 -2,-0.3 2,-0.3 -0.958 31.4 155.2-116.0 134.1 -20.0 7.6 20.2 78 80 A K E +D 46 0B 92 -32,-2.3 -32,-3.1 -2,-0.4 7,-0.1 -0.901 34.8 34.3-146.1 172.1 -21.0 8.9 23.6 79 81 A G E > S+D 45 0B 17 5,-0.4 3,-2.4 3,-0.3 -34,-0.3 -0.315 72.7 84.0 75.3-158.0 -21.9 7.6 27.1 80 82 A G T 3 S- 0 0 1 -36,-1.2 -37,-1.2 -37,-0.3 -1,-0.1 -0.428 121.2 -23.0 57.5-132.5 -20.3 4.5 28.7 81 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.471 116.0 110.8 -80.4 -4.1 -17.0 5.6 30.3 82 84 A L < - 0 0 9 -3,-2.4 2,-0.5 -39,-0.1 -3,-0.3 -0.494 54.5-155.3 -87.2 142.3 -16.8 8.6 28.0 83 85 A D - 0 0 123 -2,-0.2 2,-0.1 53,-0.1 -1,-0.0 -0.956 68.3 -7.2-104.4 126.1 -17.1 12.3 28.7 84 86 A G S S- 0 0 45 -2,-0.5 -5,-0.4 38,-0.1 2,-0.4 -0.415 99.6 -42.5 89.3-161.7 -18.2 14.3 25.7 85 87 A T - 0 0 27 -7,-0.1 38,-2.6 -2,-0.1 2,-0.5 -0.903 41.7-162.9-118.5 130.6 -18.7 13.3 22.1 86 88 A Y E -HI 77 122B 4 -9,-2.3 -9,-2.9 -2,-0.4 2,-0.4 -0.967 13.9-142.5-118.3 127.3 -16.4 11.2 20.0 87 89 A R E -HI 76 121B 41 34,-2.7 34,-2.1 -2,-0.5 2,-0.3 -0.720 17.7-119.5 -93.5 133.2 -16.6 11.3 16.2 88 90 A L E + I 0 120B 3 -13,-2.8 32,-0.3 -2,-0.4 -13,-0.2 -0.502 37.9 164.9 -67.7 124.3 -16.1 8.2 14.0 89 91 A I E - 0 0 33 30,-2.7 -21,-2.6 1,-0.4 2,-0.3 0.737 59.6 -23.8-109.0 -34.6 -13.2 8.7 11.7 90 92 A Q E -GI 67 119B 31 29,-1.2 29,-3.0 -23,-0.2 -1,-0.4 -0.985 47.3-144.6-167.6 157.4 -12.4 5.2 10.4 91 93 A F E +GI 66 118B 0 -25,-1.9 -25,-2.7 -2,-0.3 2,-0.3 -0.970 23.2 160.8-127.0 159.2 -12.7 1.5 11.1 92 94 A H E - I 0 117B 22 25,-1.9 25,-3.0 -2,-0.3 2,-0.3 -0.917 23.7-126.9-156.4 179.0 -10.4 -1.4 10.3 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.892 0.3-148.4-131.9 162.4 -9.7 -5.0 11.3 94 96 A H E + I 0 115B 4 21,-2.0 21,-2.2 -2,-0.3 2,-0.3 -0.980 31.4 170.1-124.2 141.2 -6.8 -7.2 12.5 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.2 19,-0.2 145,-1.0 -0.940 23.2-117.1-152.0 169.1 -6.9 -10.8 11.5 96 98 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.7 3,-0.1 -0.420 22.5-122.7-104.3 174.4 -5.0 -14.1 11.4 97 99 A S S S+ 0 0 45 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.575 104.9 34.7 -85.1 -13.7 -3.6 -16.6 9.0 98 100 A L S > S- 0 0 105 3,-0.2 3,-1.7 15,-0.1 -2,-0.2 -0.959 90.2-112.9-138.5 154.2 -5.7 -19.3 10.7 99 101 A D T 3 S+ 0 0 77 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.736 110.0 67.2 -65.9 -20.0 -9.2 -19.1 12.4 100 102 A G T 3 S+ 0 0 56 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.345 107.0 31.7 -83.7 6.8 -7.6 -19.7 15.8 101 103 A Q < + 0 0 49 -3,-1.7 -5,-0.7 12,-0.1 -3,-0.2 -0.974 64.9 95.9-153.8 164.6 -5.8 -16.4 16.0 102 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.036 55.6 107.7 141.1 -31.6 -6.1 -12.8 14.7 103 105 A S - 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