==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 17-JUN-10 3NJ9 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.TEMPERINI,A.CECCHI . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.0 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 . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 7.0 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 . 1 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 0 203 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.9 9.9 0.4 8.9 2 5 A W + 0 0 58 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.059 360.0 138.4 -58.3 144.6 7.5 -1.4 11.3 3 6 A G - 0 0 10 5,-2.8 10,-0.1 2,-0.2 -1,-0.1 -0.677 60.8 -88.8-152.1-148.4 5.4 -4.3 10.2 4 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.343 83.0 105.1-118.2 4.8 4.3 -7.7 11.6 5 8 A G S >> S- 0 0 30 4,-0.1 4,-1.7 1,-0.1 3,-0.7 -0.194 88.0 -89.6 -84.6 175.7 7.1 -10.0 10.4 6 9 A K T 34 S+ 0 0 186 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.769 124.8 38.4 -50.0 -33.0 10.0 -11.6 12.3 7 10 A H T 34 S+ 0 0 159 1,-0.1 -1,-0.2 5,-0.0 -5,-0.0 0.626 129.7 23.4-103.6 -13.3 12.3 -8.5 11.7 8 11 A N T <4 S+ 0 0 52 -3,-0.7 -5,-2.8 -6,-0.1 -2,-0.2 0.214 96.3 113.5-136.2 11.2 9.9 -5.5 12.0 9 12 A G S >X S- 0 0 5 -4,-1.7 3,-3.3 -7,-0.2 4,-0.9 -0.027 85.8 -62.7 -83.7-175.6 7.1 -6.8 14.2 10 13 A P T 34 S+ 0 0 28 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.687 128.6 58.8 -37.5 -38.3 5.8 -6.1 17.8 11 14 A E T 34 S+ 0 0 147 1,-0.2 -5,-0.0 2,-0.1 -2,-0.0 0.620 111.2 42.6 -71.7 -13.4 9.0 -7.3 19.5 12 15 A H T X> S+ 0 0 61 -3,-3.3 3,-1.8 1,-0.1 4,-0.5 0.633 88.9 88.4-103.3 -19.9 11.0 -4.6 17.5 13 16 A W H >X S+ 0 0 5 -4,-0.9 4,-2.7 1,-0.3 3,-0.6 0.775 74.3 69.7 -54.1 -34.4 8.6 -1.7 17.8 14 17 A H H 34 S+ 0 0 62 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.725 88.3 65.4 -59.9 -23.6 10.1 -0.4 21.1 15 18 A K H <4 S+ 0 0 132 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.939 117.4 23.8 -69.4 -45.8 13.3 0.7 19.4 16 19 A D H << S+ 0 0 112 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.779 135.6 38.1 -82.8 -29.6 11.5 3.4 17.3 17 20 A F >< - 0 0 50 -4,-2.7 3,-2.5 1,-0.1 -1,-0.2 -0.755 65.8-176.5-128.9 81.8 8.6 3.8 19.6 18 21 A P G > S+ 0 0 102 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.735 78.1 74.6 -48.9 -33.1 9.8 3.6 23.3 19 22 A I G > + 0 0 59 1,-0.3 3,-2.5 2,-0.2 5,-0.2 0.589 68.8 90.6 -60.9 -12.4 6.2 3.9 24.5 20 23 A A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.687 94.4 41.0 -55.6 -20.1 5.8 0.2 23.4 21 24 A K G < S+ 0 0 143 -3,-1.8 -1,-0.3 -7,-0.1 -2,-0.2 -0.061 97.2 125.3-116.7 27.6 6.8 -0.6 26.9 22 25 A G S < S- 0 0 18 -3,-2.5 3,-0.4 1,-0.1 -3,-0.0 0.104 74.5 -94.0 -80.1-166.4 4.9 2.1 28.6 23 26 A E S S+ 0 0 124 1,-0.2 227,-0.1 169,-0.0 -1,-0.1 0.582 113.1 35.1 -94.6 -12.7 2.3 2.1 31.3 24 27 A R S S+ 0 0 48 -5,-0.2 2,-0.2 168,-0.1 -1,-0.2 -0.343 78.1 157.1-139.0 57.4 -1.0 1.9 29.3 25 28 A Q - 0 0 2 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.566 32.2-100.6 -85.0 149.8 -0.3 -0.2 26.3 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.1 -2,-0.2 -2,-0.0 -0.833 78.9 38.5-121.2 156.0 -2.9 -2.1 24.2 27 30 A P + 0 0 0 0, 0.0 218,-2.5 0, 0.0 2,-0.3 0.637 66.0 176.0 -81.7-179.4 -4.1 -4.6 23.7 28 31 A V - 0 0 1 216,-0.3 77,-1.4 -2,-0.1 2,-0.4 -0.911 36.2 -98.5-136.0 163.5 -4.5 -6.6 27.0 29 32 A D E -a 105 0A 27 216,-0.4 2,-1.0 -2,-0.3 77,-0.2 -0.730 32.8-138.6 -79.7 133.5 -6.0 -9.8 28.2 30 33 A I E -a 106 0A 0 75,-2.9 77,-2.4 -2,-0.4 2,-1.0 -0.840 12.5-159.4 -93.5 99.2 -9.5 -9.3 29.7 31 34 A D >> - 0 0 62 -2,-1.0 3,-1.9 75,-0.2 4,-1.8 -0.741 3.1-158.7 -78.6 107.0 -9.5 -11.5 32.7 32 35 A T T 34 S+ 0 0 44 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.763 88.7 53.2 -61.4 -28.2 -13.3 -11.9 33.2 33 36 A H T 34 S+ 0 0 164 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.440 111.9 45.1 -88.8 -2.1 -13.0 -12.8 36.9 34 37 A T T <4 S+ 0 0 97 -3,-1.9 -2,-0.2 2,-0.0 -1,-0.2 0.641 91.9 93.6-108.3 -26.9 -10.8 -9.8 37.7 35 38 A A < - 0 0 20 -4,-1.8 2,-0.4 218,-0.1 218,-0.2 -0.426 67.7-145.6 -67.8 141.7 -13.0 -7.2 35.8 36 39 A K E -c 253 0B 153 216,-1.5 218,-2.7 -2,-0.1 2,-0.1 -0.924 15.7-111.7-118.4 136.3 -15.6 -5.5 38.0 37 40 A Y E -c 254 0B 94 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.407 31.4-154.0 -57.4 131.1 -19.1 -4.3 37.2 38 41 A D > - 0 0 22 216,-2.4 3,-1.1 1,-0.1 -1,-0.1 -0.928 15.4-174.9-117.6 106.1 -19.1 -0.5 37.4 39 42 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.702 81.5 68.4 -76.4 -17.0 -22.5 1.0 38.2 40 43 A S T 3 S+ 0 0 95 2,-0.0 2,-0.4 40,-0.0 -2,-0.0 0.565 75.4 110.6 -74.4 -8.7 -21.2 4.6 37.7 41 44 A L < - 0 0 29 -3,-1.1 3,-0.1 213,-0.2 38,-0.1 -0.555 66.6-139.6 -68.3 119.7 -20.9 3.7 34.0 42 45 A K - 0 0 132 37,-1.4 37,-0.2 -2,-0.4 39,-0.1 -0.350 38.5 -78.9 -71.9 157.1 -23.6 5.7 32.0 43 46 A P - 0 0 116 0, 0.0 36,-0.9 0, 0.0 2,-0.2 -0.380 51.8-112.0 -60.5 142.6 -25.4 3.8 29.2 44 47 A L E -D 78 0B 24 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.529 27.6-158.7 -77.1 141.9 -23.3 3.5 25.9 45 48 A S E -D 77 0B 31 32,-2.7 32,-2.5 -2,-0.2 2,-0.6 -0.951 12.0-179.5-130.2 109.9 -24.5 5.5 22.9 46 49 A V E -D 76 0B 33 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.937 6.1-178.1-108.3 107.6 -23.4 4.5 19.4 47 50 A S E +D 75 0B 32 28,-2.8 28,-2.0 -2,-0.6 3,-0.2 -0.778 23.3 144.5-114.0 88.1 -25.0 6.8 16.9 48 51 A Y > + 0 0 2 -2,-0.7 3,-1.4 26,-0.2 130,-0.3 0.239 35.9 108.0-109.1 10.6 -24.0 5.8 13.4 49 52 A D T 3 S+ 0 0 88 1,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.871 86.5 37.9 -54.4 -44.6 -27.3 6.6 11.5 50 53 A Q T 3 S+ 0 0 133 23,-0.2 24,-0.3 -3,-0.2 -1,-0.3 0.044 85.6 151.5 -99.7 24.7 -25.9 9.7 9.7 51 54 A A < - 0 0 18 -3,-1.4 2,-0.6 22,-0.2 123,-0.1 -0.307 31.8-156.5 -67.7 136.3 -22.4 8.2 9.0 52 55 A T - 0 0 43 16,-0.3 16,-3.4 122,-0.1 2,-0.1 -0.792 8.9-171.7-119.3 87.1 -20.5 9.4 5.9 53 56 A S E -E 67 0B 1 -2,-0.6 121,-0.7 122,-0.5 14,-0.3 -0.446 4.9-180.0 -70.5 149.3 -17.8 6.9 4.7 54 57 A L E - 0 0 68 12,-3.0 118,-2.2 1,-0.4 2,-0.3 0.732 51.1 -21.1-118.7 -51.9 -15.6 8.2 1.9 55 58 A R E -EF 66 171B 93 11,-0.8 11,-3.0 116,-0.3 2,-0.4 -0.984 47.3-120.7-159.5 166.5 -13.1 5.6 0.9 56 59 A I E -EF 65 170B 0 114,-2.7 114,-2.6 -2,-0.3 2,-0.4 -0.944 28.1-169.2-117.1 136.6 -11.2 2.4 1.7 57 60 A L E -EF 64 169B 36 7,-2.0 7,-2.2 -2,-0.4 2,-0.7 -0.990 22.8-145.5-131.0 130.4 -7.3 2.2 1.7 58 61 A N E -E 63 0B 0 110,-2.7 109,-2.7 -2,-0.4 5,-0.2 -0.880 21.2-178.7 -85.2 115.7 -4.7 -0.6 1.9 59 62 A N - 0 0 40 3,-2.3 4,-0.1 -2,-0.7 107,-0.1 0.218 53.2 -97.6-103.0 13.1 -2.0 1.0 4.0 60 63 A G S S+ 0 0 19 2,-0.4 3,-0.1 166,-0.3 106,-0.1 0.445 119.5 47.4 83.1 1.3 0.5 -1.9 4.0 61 64 A H S S- 0 0 42 1,-0.6 2,-0.2 -58,-0.1 -1,-0.1 0.497 124.8 -22.9-135.5 -33.9 -0.7 -3.2 7.4 62 65 A A - 0 0 2 -5,-0.1 -3,-2.3 165,-0.1 -1,-0.6 -0.834 69.1 -93.9-152.6-170.3 -4.5 -3.2 7.2 63 66 A F E -E 58 0B 0 -2,-0.2 2,-0.5 -5,-0.2 29,-0.4 -0.990 31.2-154.3-117.6 138.0 -7.3 -1.5 5.4 64 67 A N E -E 57 0B 24 -7,-2.2 -7,-2.0 -2,-0.4 2,-0.7 -0.921 7.9-153.8-109.4 126.9 -9.0 1.6 6.7 65 68 A V E -EG 56 90B 0 25,-2.5 25,-1.9 -2,-0.5 2,-0.3 -0.916 28.7-151.5 -92.2 119.4 -12.5 2.6 5.9 66 69 A E E -EG 55 89B 45 -11,-3.0 -12,-3.0 -2,-0.7 -11,-0.8 -0.723 8.7-154.4-102.5 145.9 -12.4 6.3 6.3 67 70 A F E -E 53 0B 10 21,-3.0 2,-0.9 -2,-0.3 -14,-0.3 -0.777 27.0-107.3-117.8 157.2 -15.2 8.6 7.3 68 71 A D + 0 0 47 -16,-3.4 -16,-0.3 -2,-0.3 3,-0.3 -0.779 40.5 171.8 -80.8 104.8 -16.1 12.3 6.9 69 72 A D + 0 0 40 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 0.155 44.9 106.3-103.8 15.7 -15.5 13.7 10.4 70 73 A S S S+ 0 0 82 2,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.457 86.6 34.2 -77.0 -0.9 -15.9 17.4 9.7 71 74 A Q S S- 0 0 120 -3,-0.3 2,-2.5 3,-0.1 3,-0.2 -0.972 99.8 -91.6-146.6 161.0 -19.3 17.3 11.4 72 75 A D S S+ 0 0 91 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.390 77.8 125.9 -73.3 69.1 -21.0 15.5 14.4 73 76 A K + 0 0 52 -2,-2.5 2,-0.6 1,-0.3 -23,-0.2 0.839 66.7 25.2 -90.9 -96.5 -22.3 12.6 12.3 74 77 A A S S+ 0 0 6 -24,-0.3 13,-2.4 -6,-0.3 2,-0.3 -0.638 85.4 174.8 -70.3 115.6 -21.3 9.1 13.5 75 78 A V E -DH 47 86B 15 -28,-2.0 -28,-2.8 -2,-0.6 2,-0.5 -0.944 30.8-151.6-130.8 149.6 -20.6 9.6 17.2 76 79 A L E +DH 46 85B 0 9,-2.6 9,-2.0 -2,-0.3 2,-0.3 -0.980 33.2 152.1-113.2 128.8 -19.7 7.5 20.3 77 80 A K E +D 45 0B 91 -32,-2.5 -32,-2.7 -2,-0.5 7,-0.1 -0.905 33.8 29.1-144.7 174.9 -20.9 8.8 23.7 78 81 A G E > S+D 44 0B 17 5,-0.5 3,-2.6 3,-0.4 -34,-0.3 -0.288 74.9 84.5 73.1-156.1 -21.8 7.7 27.2 79 82 A G T 3 S- 0 0 4 -36,-0.9 -37,-1.4 1,-0.3 -1,-0.1 -0.405 122.5 -22.2 56.6-126.8 -20.5 4.6 28.8 80 83 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.472 117.8 105.9 -88.0 1.2 -17.1 5.6 30.4 81 84 A L < - 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