==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 18-MAY-10 3N2P . 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) . 11812.0 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 . 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 . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.6 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 3 A H 0 0 195 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.0 7.5 2.5 7.3 2 4 A H + 0 0 94 2,-0.1 2,-0.0 7,-0.0 0, 0.0 0.822 360.0 79.6 -84.9 -38.7 10.2 0.3 8.8 3 5 A W + 0 0 30 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.270 52.3 127.4 -77.3 157.1 7.8 -1.4 11.3 4 6 A G - 0 0 6 5,-2.5 10,-0.1 2,-0.2 -1,-0.1 -0.807 66.4 -75.5-171.1-144.8 5.4 -4.3 10.5 5 7 A Y S S+ 0 0 36 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.194 83.9 108.4-125.7 14.8 4.5 -7.8 11.5 6 8 A G S > S- 0 0 37 4,-0.1 4,-1.5 1,-0.1 3,-0.4 -0.235 84.8 -93.7 -85.8-178.0 7.3 -9.9 10.2 7 9 A K T 4 S+ 0 0 149 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.820 123.2 38.3 -64.4 -31.5 10.1 -11.6 12.0 8 10 A H T 4 S+ 0 0 166 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.578 130.5 24.9-102.9 -7.2 12.5 -8.7 11.6 9 11 A N T 4 S+ 0 0 56 -3,-0.4 -5,-2.5 -6,-0.1 -2,-0.2 0.251 93.5 122.8-137.5 14.7 10.2 -5.7 12.1 10 12 A G S >X S- 0 0 0 -4,-1.5 3,-2.8 -5,-0.2 4,-0.7 0.142 81.5 -70.1 -75.9-175.3 7.4 -7.2 14.2 11 13 A P G >4 S+ 0 0 29 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.760 127.7 62.1 -51.3 -30.9 5.9 -6.2 17.6 12 14 A E G 34 S+ 0 0 95 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.653 108.1 44.6 -71.1 -13.4 9.0 -7.4 19.5 13 15 A H G X> S+ 0 0 49 -3,-2.8 3,-1.8 1,-0.1 4,-0.5 0.563 86.9 90.5 -99.2 -15.5 11.1 -4.8 17.6 14 16 A W H XX S+ 0 0 6 -4,-0.7 4,-2.7 -3,-0.6 3,-0.9 0.806 72.8 69.0 -61.5 -28.9 8.7 -1.8 17.9 15 17 A H H 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.727 87.7 66.7 -65.0 -21.6 10.2 -0.5 21.1 16 18 A K H <4 S+ 0 0 137 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.881 117.3 23.9 -69.6 -36.3 13.5 0.5 19.4 17 19 A D H << S+ 0 0 94 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.739 136.4 35.9 -90.1 -29.6 11.7 3.2 17.4 18 20 A F >< - 0 0 47 -4,-2.7 3,-2.6 1,-0.1 -1,-0.2 -0.765 63.8-179.2-128.8 82.8 8.8 3.7 19.8 19 21 A P G > S+ 0 0 101 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.702 76.1 77.0 -62.0 -18.6 9.9 3.3 23.4 20 22 A I G > S+ 0 0 54 1,-0.3 3,-2.5 179,-0.2 -5,-0.1 0.638 70.9 88.6 -66.4 -10.3 6.3 3.9 24.6 21 23 A A G < S+ 0 0 6 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.779 91.4 44.3 -54.5 -26.4 5.9 0.3 23.5 22 24 A K G < S+ 0 0 136 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.073 96.8 128.3-104.7 24.1 7.0 -0.6 27.0 23 25 A G S < S- 0 0 14 -3,-2.5 3,-0.5 1,-0.1 -3,-0.1 0.135 72.8 -97.0 -77.4-170.8 4.8 2.1 28.7 24 26 A E S S+ 0 0 121 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.544 113.0 32.8 -88.6 -10.4 2.3 2.0 31.5 25 27 A R S S+ 0 0 46 224,-0.1 -1,-0.2 2,-0.0 2,-0.1 -0.284 78.6 157.5-145.8 57.4 -0.9 1.8 29.5 26 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.467 31.0-101.2 -87.2 152.0 -0.2 -0.3 26.3 27 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.1 -2,-0.0 -0.897 78.0 38.7-127.1 159.1 -2.8 -2.2 24.3 28 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.618 66.6 176.7 -75.7-179.5 -4.1 -4.7 23.5 29 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.922 36.3 -98.8-137.3 164.1 -4.4 -6.7 26.8 30 32 A D E -a 106 0A 28 216,-0.5 2,-0.8 -2,-0.3 77,-0.2 -0.737 33.7-138.9 -80.0 137.7 -5.9 -10.0 27.9 31 33 A I E -a 107 0A 0 75,-2.8 77,-2.5 -2,-0.4 2,-0.9 -0.874 10.7-158.7-102.2 102.2 -9.3 -9.5 29.4 32 34 A D >> - 0 0 68 -2,-0.8 4,-1.4 75,-0.2 3,-1.0 -0.767 5.4-160.9 -81.7 103.9 -9.5 -11.8 32.5 33 35 A T T 34 S+ 0 0 43 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.783 86.2 52.3 -65.5 -26.0 -13.3 -12.0 32.8 34 36 A H T 34 S+ 0 0 169 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.778 113.0 44.7 -82.6 -20.2 -13.2 -13.2 36.4 35 37 A T T <4 S+ 0 0 110 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.606 86.8 105.1 -97.4 -16.2 -11.0 -10.3 37.5 36 38 A A S < S- 0 0 19 -4,-1.4 2,-0.6 216,-0.1 218,-0.2 -0.421 70.3-129.8 -65.2 141.5 -12.8 -7.5 35.6 37 39 A K E -c 254 0B 132 216,-2.3 218,-2.8 -2,-0.1 2,-0.1 -0.840 9.0-128.9-100.9 120.4 -14.9 -5.4 38.0 38 40 A Y E -c 255 0B 84 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.477 23.2-160.1 -60.4 134.2 -18.6 -4.6 37.3 39 41 A D > - 0 0 35 216,-2.4 3,-2.5 -2,-0.1 -1,-0.1 -0.864 10.0-169.1-125.6 93.7 -19.0 -0.8 37.6 40 42 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.632 84.0 64.6 -66.5 -11.0 -22.7 0.1 38.1 41 43 A S T 3 S+ 0 0 89 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.446 75.4 109.1 -88.2 -3.5 -21.9 3.8 37.6 42 44 A L < - 0 0 31 -3,-2.5 3,-0.1 213,-0.2 38,-0.0 -0.631 67.9-134.4 -71.0 129.8 -20.9 3.1 33.9 43 45 A K - 0 0 115 37,-1.2 39,-0.1 -2,-0.4 3,-0.1 -0.360 29.2 -87.4 -79.6 160.8 -23.6 4.5 31.6 44 46 A P - 0 0 114 0, 0.0 36,-1.5 0, 0.0 -1,-0.1 -0.428 50.9-104.1 -65.6 148.8 -25.0 2.6 28.7 45 47 A L E -D 79 0B 17 34,-0.3 2,-0.5 141,-0.2 34,-0.2 -0.454 28.8-148.8 -65.8 143.1 -23.0 3.1 25.5 46 48 A S E -D 78 0B 48 32,-3.0 32,-2.5 -2,-0.1 2,-0.6 -0.952 15.4-178.1-118.9 107.7 -24.6 5.5 23.0 47 49 A V E +D 77 0B 34 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.928 1.3 179.5-107.6 112.1 -23.8 4.6 19.4 48 50 A S E +D 76 0B 42 28,-2.9 28,-2.1 -2,-0.6 3,-0.2 -0.811 22.6 143.1-117.1 89.1 -25.3 7.1 16.9 49 51 A Y > + 0 0 3 -2,-0.7 3,-1.9 26,-0.2 130,-0.2 0.254 33.2 109.6-110.9 12.4 -24.4 6.1 13.4 50 52 A D T 3 S+ 0 0 96 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.805 86.5 39.4 -65.5 -29.4 -27.6 7.0 11.5 51 53 A Q T 3 S+ 0 0 132 23,-0.9 -1,-0.3 -3,-0.2 24,-0.2 0.159 84.6 148.6-102.4 18.7 -26.0 9.9 9.7 52 54 A A < - 0 0 21 -3,-1.9 2,-0.5 1,-0.1 23,-0.1 -0.203 31.6-159.8 -57.4 139.2 -22.6 8.2 9.1 53 55 A T - 0 0 45 16,-0.3 16,-2.7 122,-0.1 2,-0.2 -0.855 4.8-165.8-123.8 97.2 -20.9 9.3 5.9 54 56 A S E +E 68 0B 1 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.511 10.4 174.9 -78.1 149.3 -18.3 6.8 4.6 55 57 A L E - 0 0 78 12,-3.2 118,-2.1 1,-0.4 2,-0.3 0.732 49.6 -6.1-117.6 -45.2 -15.9 8.1 2.0 56 58 A R E -EF 67 172B 85 11,-1.0 11,-2.6 116,-0.3 2,-0.4 -0.977 45.6-135.5-159.0 154.0 -13.2 5.8 1.0 57 59 A I E -EF 66 171B 0 114,-2.4 114,-2.3 -2,-0.3 2,-0.4 -0.994 28.3-172.3-123.4 135.0 -11.4 2.5 1.7 58 60 A L E -EF 65 170B 32 7,-2.3 7,-2.4 -2,-0.4 2,-0.8 -0.989 26.1-143.7-133.2 131.7 -7.6 2.4 1.7 59 61 A N E -E 64 0B 0 110,-2.7 109,-3.0 -2,-0.4 5,-0.2 -0.855 22.5-179.4 -85.1 112.0 -5.0 -0.3 2.0 60 62 A N - 0 0 46 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.317 51.3-101.9 -99.9 9.2 -2.3 1.4 4.1 61 63 A G S S+ 0 0 5 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.335 117.2 53.7 91.5 -9.1 0.1 -1.5 4.1 62 64 A H S S- 0 0 31 1,-0.5 2,-0.2 -58,-0.1 -1,-0.1 0.596 125.8 -30.1-124.0 -31.4 -0.8 -2.7 7.7 63 65 A A S S- 0 0 6 -5,-0.1 -3,-2.0 165,-0.1 -1,-0.5 -0.820 70.7 -91.1-160.0-168.1 -4.6 -3.0 7.4 64 66 A F E -E 59 0B 0 29,-0.3 29,-0.5 -2,-0.2 2,-0.5 -0.993 34.6-154.8-119.8 138.2 -7.4 -1.4 5.4 65 67 A N E -E 58 0B 24 -7,-2.4 -7,-2.3 -2,-0.4 2,-0.7 -0.920 10.6-152.5-110.4 136.1 -9.3 1.6 6.7 66 68 A V E -EG 57 91B 0 25,-2.6 25,-1.8 -2,-0.5 2,-0.3 -0.937 29.2-152.7 -99.0 117.4 -12.8 2.6 5.8 67 69 A E E -EG 56 90B 46 -11,-2.6 -12,-3.2 -2,-0.7 -11,-1.0 -0.675 9.8-159.6 -99.3 150.5 -12.7 6.4 6.4 68 70 A F E -E 54 0B 8 21,-2.5 2,-0.7 -2,-0.3 -14,-0.2 -0.811 31.7 -97.3-125.0 159.1 -15.6 8.6 7.3 69 71 A D + 0 0 34 -16,-2.7 -16,-0.3 -2,-0.3 5,-0.3 -0.685 42.6 171.9 -74.3 113.4 -16.4 12.3 7.1 70 72 A D + 0 0 41 -2,-0.7 -1,-0.1 1,-0.2 17,-0.1 -0.012 47.8 101.9-116.2 28.7 -15.6 13.5 10.6 71 73 A S S S+ 0 0 83 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.396 90.2 26.6 -92.6 1.1 -15.9 17.3 9.9 72 74 A Q S S- 0 0 119 -3,-0.3 2,-2.0 3,-0.1 3,-0.4 -0.943 100.6 -87.2-148.3 167.3 -19.4 17.3 11.6 73 75 A D S S+ 0 0 91 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.547 75.4 131.3 -78.4 79.4 -21.1 15.2 14.3 74 76 A K S S+ 0 0 48 -2,-2.0 -23,-0.9 1,-0.3 2,-0.4 0.749 74.1 17.7-101.4 -35.8 -22.5 12.6 11.9 75 77 A A S S+ 0 0 6 -3,-0.4 13,-2.8 -24,-0.2 -1,-0.3 -0.927 83.9 168.2-139.5 110.2 -21.5 9.3 13.5 76 78 A V E -DH 48 87B 14 -28,-2.1 -28,-2.9 -2,-0.4 2,-0.4 -0.933 30.2-146.7-133.0 155.5 -20.6 9.6 17.2 77 79 A L E +DH 47 86B 0 9,-2.8 9,-2.4 -2,-0.3 2,-0.3 -0.955 30.9 157.4-116.1 131.8 -20.0 7.5 20.2 78 80 A K E +D 46 0B 90 -32,-2.5 -32,-3.0 -2,-0.4 7,-0.1 -0.879 36.1 32.3-142.4 175.4 -21.0 8.8 23.7 79 81 A G E > S+D 45 0B 17 5,-0.4 3,-2.4 3,-0.3 -34,-0.3 -0.285 72.5 87.4 73.1-152.8 -21.9 7.5 27.1 80 82 A G T 3 S- 0 0 1 -36,-1.5 -37,-1.2 1,-0.3 -1,-0.1 -0.403 120.2 -24.4 55.7-135.1 -20.3 4.4 28.6 81 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.463 117.4 108.7 -81.0 -1.3 -17.1 5.5 30.4 82 84 A L < - 0 0 8 -3,-2.4 2,-0.4 -39,-0.1 -3,-0.3 -0.494 55.0-155.0 -88.7 148.0 -16.8 8.6 28.1 83 85 A D - 0 0 123 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.952 67.9 -3.3-109.2 133.4 -17.3 12.2 28.8 84 86 A G S S- 0 0 49 -2,-0.4 2,-0.4 38,-0.1 -5,-0.4 -0.336 99.7 -44.3 83.3-164.5 -18.2 14.3 25.8 85 87 A T - 0 0 23 -7,-0.1 38,-2.6 -2,-0.1 2,-0.5 -0.886 41.2-163.7-116.8 129.1 -18.7 13.3 22.1 86 88 A Y E -HI 77 122B 4 -9,-2.4 -9,-2.8 -2,-0.4 2,-0.4 -0.966 13.9-144.9-116.8 126.9 -16.4 11.2 20.1 87 89 A R E -HI 76 121B 46 34,-2.6 34,-2.1 -2,-0.5 2,-0.3 -0.736 18.8-116.9 -94.2 136.4 -16.6 11.2 16.2 88 90 A L E + I 0 120B 2 -13,-2.8 32,-0.3 -2,-0.4 -13,-0.1 -0.505 38.2 165.8 -66.7 125.7 -16.1 8.1 14.0 89 91 A I E - 0 0 34 30,-2.7 -21,-2.5 1,-0.4 2,-0.3 0.726 60.3 -23.1-110.4 -35.8 -13.1 8.7 11.7 90 92 A Q E -GI 67 119B 29 29,-1.2 29,-2.9 -23,-0.2 -1,-0.4 -0.982 47.4-145.0-164.6 159.5 -12.4 5.2 10.5 91 93 A F E +GI 66 118B 0 -25,-1.8 -25,-2.6 -2,-0.3 2,-0.3 -0.966 23.8 159.2-128.2 157.5 -12.7 1.5 11.1 92 94 A H E - I 0 117B 22 25,-1.8 25,-3.0 -2,-0.3 2,-0.3 -0.930 24.7-125.8-156.5 177.9 -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 -0.893 0.6-148.6-129.3 161.2 -9.7 -4.9 11.3 94 96 A H E + I 0 115B 4 21,-2.0 21,-2.2 -2,-0.3 2,-0.3 -0.985 32.2 170.1-121.9 139.2 -6.8 -7.1 12.5 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.1 19,-0.2 145,-0.9 -0.933 23.8-116.3-148.2 170.4 -6.9 -10.8 11.5 96 98 A G - 0 0 0 17,-1.6 6,-0.1 5,-0.6 3,-0.1 -0.380 21.3-125.2-103.2 175.1 -5.1 -14.0 11.4 97 99 A S S S+ 0 0 44 142,-0.2 2,-0.3 1,-0.1 5,-0.1 0.556 104.9 35.9 -85.2 -14.1 -3.6 -16.5 8.9 98 100 A L S > S- 0 0 105 3,-0.3 3,-1.8 15,-0.1 -2,-0.2 -0.962 89.0-115.4-138.1 151.5 -5.7 -19.2 10.7 99 101 A D T 3 S+ 0 0 76 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.770 109.7 68.2 -62.5 -22.9 -9.1 -19.1 12.4 100 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 11,-0.3 0.446 108.0 26.7 -79.0 2.0 -7.5 -19.7 15.8 101 103 A Q < + 0 0 51 -3,-1.8 -5,-0.6 12,-0.1 -3,-0.3 -0.970 65.3 99.3-155.1 162.8 -5.7 -16.4 15.9 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.012 55.5 106.1 144.9 -30.9 -6.1 -12.8 14.7 103 105 A S - 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