==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 21-MAY-10 3N4B . 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) . 11899.0 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 . 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 . 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 0 228 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-128.2 13.8 -0.9 8.5 2 4 A H - 0 0 107 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.481 360.0 -91.0 -89.0 157.5 10.2 0.4 9.0 3 5 A W + 0 0 30 -2,-0.2 2,-0.2 1,-0.1 7,-0.2 -0.200 60.3 127.5 -77.5 159.1 7.8 -1.4 11.3 4 6 A G - 0 0 6 5,-2.5 10,-0.1 2,-0.1 -1,-0.1 -0.790 65.8 -74.8-171.0-144.1 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 0.218 82.8 109.3-128.1 14.6 4.5 -7.7 11.5 6 8 A G S > S- 0 0 38 4,-0.1 4,-1.5 1,-0.1 3,-0.5 -0.221 84.2 -93.7 -83.4-179.6 7.4 -9.8 10.2 7 9 A K T 4 S+ 0 0 157 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.824 124.4 38.6 -61.9 -31.9 10.2 -11.6 12.0 8 10 A H T 4 S+ 0 0 165 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.581 130.4 23.5-102.1 -7.2 12.5 -8.7 11.6 9 11 A N T 4 S+ 0 0 50 -3,-0.5 -5,-2.5 -6,-0.1 -2,-0.2 0.236 93.3 121.7-140.9 15.7 10.2 -5.7 12.1 10 12 A G S >X S- 0 0 0 -4,-1.5 3,-2.7 -5,-0.2 4,-0.7 0.107 82.2 -67.7 -79.7-173.8 7.3 -7.1 14.2 11 13 A P T 34 S+ 0 0 29 0, 0.0 4,-0.4 0, 0.0 3,-0.4 0.719 127.3 61.8 -51.4 -30.6 6.0 -6.2 17.6 12 14 A E T 34 S+ 0 0 102 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.646 108.8 44.0 -72.2 -14.7 9.1 -7.4 19.5 13 15 A H T X> S+ 0 0 49 -3,-2.7 3,-1.9 1,-0.1 4,-0.5 0.568 87.1 89.8-100.0 -15.8 11.2 -4.8 17.6 14 16 A W H >X S+ 0 0 5 -4,-0.7 4,-2.7 -3,-0.4 3,-0.9 0.810 73.4 69.7 -59.5 -31.2 8.8 -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 0.717 87.7 66.6 -60.7 -20.1 10.3 -0.5 21.2 16 18 A K H <4 S+ 0 0 133 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.900 117.4 23.2 -74.1 -36.7 13.5 0.5 19.5 17 19 A D H << S+ 0 0 115 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.727 135.5 38.5 -90.7 -25.9 11.8 3.2 17.4 18 20 A F >< - 0 0 53 -4,-2.7 3,-2.5 1,-0.1 -1,-0.2 -0.771 64.0-178.8-129.1 82.6 8.8 3.7 19.8 19 21 A P G > S+ 0 0 102 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.750 76.6 75.1 -57.1 -24.7 10.0 3.4 23.4 20 22 A I G > S+ 0 0 55 1,-0.3 3,-2.6 179,-0.2 -5,-0.1 0.652 70.7 88.4 -66.2 -10.4 6.5 3.9 24.7 21 23 A A G < S+ 0 0 7 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.770 91.8 45.0 -54.1 -25.7 5.9 0.3 23.5 22 24 A K G < S+ 0 0 137 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.094 97.0 128.5-104.5 21.9 7.1 -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 0.146 73.0 -96.9 -74.8-171.7 4.9 2.0 28.7 24 26 A E S S+ 0 0 122 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.569 113.0 31.8 -89.4 -11.6 2.3 2.0 31.5 25 27 A R S S+ 0 0 48 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.315 78.5 157.2-145.6 57.3 -0.9 1.7 29.5 26 28 A Q - 0 0 4 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.515 31.7-100.1 -85.9 153.9 -0.2 -0.3 26.4 27 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 78,-0.0 -0.907 78.1 38.8-128.2 157.8 -2.8 -2.2 24.3 28 30 A P + 0 0 0 0, 0.0 218,-2.9 0, 0.0 2,-0.3 0.557 66.6 177.1 -79.7 179.5 -4.1 -4.7 23.6 29 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.5 -0.917 36.1 -98.0-135.3 165.3 -4.4 -6.7 26.8 30 32 A D E -a 106 0A 31 216,-0.5 2,-0.8 -2,-0.3 77,-0.2 -0.753 33.6-139.2 -81.6 132.1 -5.9 -10.0 28.0 31 33 A I E -a 107 0A 0 75,-2.9 77,-2.5 -2,-0.5 2,-0.9 -0.853 11.0-159.3 -94.2 104.3 -9.3 -9.5 29.5 32 34 A D >> - 0 0 69 -2,-0.8 4,-1.5 75,-0.2 3,-0.7 -0.785 5.4-161.0 -83.1 105.9 -9.5 -11.8 32.5 33 35 A T T 34 S+ 0 0 44 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.771 85.7 52.4 -67.3 -25.6 -13.3 -12.0 32.8 34 36 A H T 34 S+ 0 0 171 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.767 113.1 44.4 -83.5 -21.6 -13.2 -13.2 36.4 35 37 A T T <4 S+ 0 0 107 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.641 86.8 103.5 -96.4 -18.4 -11.0 -10.3 37.5 36 38 A A S < S- 0 0 18 -4,-1.5 2,-0.5 216,-0.1 218,-0.2 -0.406 71.4-129.2 -64.0 144.7 -12.8 -7.5 35.6 37 39 A K E -c 254 0B 128 216,-2.3 218,-2.7 -2,-0.1 2,-0.2 -0.847 9.3-127.0-103.1 122.5 -14.9 -5.4 38.0 38 40 A Y E -c 255 0B 81 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.508 25.4-159.6 -61.2 130.1 -18.6 -4.7 37.3 39 41 A D > - 0 0 38 216,-2.7 3,-1.8 -2,-0.2 -1,-0.1 -0.911 13.9-171.5-117.8 101.6 -19.0 -0.9 37.5 40 42 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.690 84.0 68.1 -71.5 -11.0 -22.6 0.2 38.1 41 43 A S T 3 S+ 0 0 85 -3,-0.1 2,-0.4 2,-0.1 215,-0.1 0.590 74.5 107.8 -78.1 -12.1 -21.5 3.8 37.6 42 44 A L < - 0 0 31 -3,-1.8 3,-0.1 213,-0.2 38,-0.1 -0.552 67.7-136.6 -70.5 125.7 -20.8 3.1 33.9 43 45 A K - 0 0 111 37,-1.3 39,-0.1 -2,-0.4 -1,-0.1 -0.279 31.5 -80.4 -78.8 162.0 -23.4 4.7 31.7 44 46 A P - 0 0 114 0, 0.0 36,-1.4 0, 0.0 2,-0.2 -0.408 49.1-110.9 -59.1 139.0 -25.1 3.1 28.7 45 47 A L E -D 79 0B 20 34,-0.3 2,-0.5 141,-0.2 34,-0.2 -0.524 28.9-154.0 -67.4 136.8 -23.1 3.1 25.5 46 48 A S E -D 78 0B 49 32,-2.7 32,-2.2 -2,-0.2 2,-0.7 -0.954 12.2-176.4-118.9 107.7 -24.6 5.5 22.9 47 49 A V E -D 77 0B 33 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.926 2.3-180.0-108.2 109.4 -23.8 4.6 19.3 48 50 A S E +D 76 0B 42 28,-2.8 28,-2.2 -2,-0.7 3,-0.2 -0.802 23.8 141.0-115.0 88.2 -25.2 7.1 16.9 49 51 A Y > + 0 0 3 -2,-0.7 3,-1.8 26,-0.2 130,-0.2 0.251 31.8 110.4-112.1 12.2 -24.3 6.1 13.4 50 52 A D T 3 S+ 0 0 92 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.804 86.1 40.1 -64.3 -28.7 -27.5 7.0 11.5 51 53 A Q T 3 S+ 0 0 132 23,-1.0 -1,-0.3 -3,-0.2 24,-0.2 0.148 83.1 148.3-104.4 19.6 -26.0 9.9 9.6 52 54 A A < - 0 0 22 -3,-1.8 2,-0.5 1,-0.1 23,-0.1 -0.237 32.5-158.7 -56.7 138.7 -22.6 8.3 9.0 53 55 A T - 0 0 46 16,-0.3 16,-2.8 122,-0.1 2,-0.2 -0.883 6.2-164.1-120.9 97.0 -20.9 9.4 5.7 54 56 A S E +E 68 0B 1 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.535 11.1 175.8 -77.4 147.4 -18.3 6.8 4.6 55 57 A L E - 0 0 78 12,-3.1 118,-2.2 1,-0.4 2,-0.3 0.745 48.7 -11.3-115.2 -45.9 -15.9 8.1 2.0 56 58 A R E -EF 67 172B 83 11,-1.1 11,-2.7 116,-0.3 2,-0.4 -0.970 45.5-131.2-162.1 156.7 -13.2 5.7 0.9 57 59 A I E -EF 66 171B 0 114,-2.4 114,-2.1 -2,-0.3 2,-0.4 -0.994 29.1-171.3-124.3 135.6 -11.4 2.5 1.7 58 60 A L E -EF 65 170B 33 7,-2.4 7,-2.5 -2,-0.4 2,-0.7 -0.984 24.6-144.7-134.2 132.3 -7.6 2.5 1.8 59 61 A N E -E 64 0B 0 110,-2.6 109,-3.0 -2,-0.4 5,-0.2 -0.879 21.4-179.4 -88.6 112.8 -4.9 -0.3 2.0 60 62 A N - 0 0 49 3,-2.1 4,-0.1 -2,-0.7 -1,-0.1 0.340 51.5-102.3-100.7 10.1 -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 0.299 117.0 55.0 91.3 -8.4 0.2 -1.5 4.1 62 64 A H S S- 0 0 31 1,-0.6 2,-0.2 -58,-0.1 166,-0.1 0.576 125.0 -30.7-124.8 -31.5 -0.7 -2.6 7.7 63 65 A A S S- 0 0 5 -5,-0.1 -3,-2.1 165,-0.1 -1,-0.6 -0.855 70.8 -90.7-163.6-170.6 -4.5 -3.0 7.4 64 66 A F E -E 59 0B 0 29,-0.3 2,-0.5 -2,-0.2 29,-0.5 -0.991 34.8-154.6-119.5 137.2 -7.4 -1.5 5.4 65 67 A N E -E 58 0B 19 -7,-2.5 -7,-2.4 -2,-0.4 2,-0.7 -0.925 10.7-152.3-111.2 133.2 -9.3 1.6 6.7 66 68 A V E -EG 57 91B 0 25,-2.8 25,-1.9 -2,-0.5 2,-0.3 -0.926 30.0-152.3 -95.9 117.1 -12.8 2.6 5.8 67 69 A E E -EG 56 90B 52 -11,-2.7 -12,-3.1 -2,-0.7 -11,-1.1 -0.696 10.6-160.6 -99.4 148.5 -12.7 6.3 6.3 68 70 A F E -E 54 0B 7 21,-2.6 2,-0.8 -2,-0.3 -14,-0.2 -0.824 32.2 -97.2-122.7 158.1 -15.6 8.7 7.2 69 71 A D + 0 0 35 -16,-2.8 -16,-0.3 -2,-0.3 5,-0.3 -0.661 42.3 172.2 -71.9 112.1 -16.4 12.4 7.0 70 72 A D + 0 0 41 -2,-0.8 -1,-0.1 1,-0.1 17,-0.1 -0.008 47.9 101.9-112.8 28.9 -15.5 13.5 10.5 71 73 A S S S+ 0 0 82 56,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.384 90.5 25.7 -92.3 3.2 -15.9 17.3 9.9 72 74 A Q S S- 0 0 118 -3,-0.3 2,-1.7 3,-0.1 3,-0.4 -0.946 100.9 -86.7-150.1 164.8 -19.3 17.3 11.6 73 75 A D S S+ 0 0 90 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.594 75.1 131.1 -74.9 86.0 -21.0 15.2 14.3 74 76 A K S S+ 0 0 50 -2,-1.7 -23,-1.0 1,-0.4 2,-0.4 0.719 74.1 18.8-107.4 -38.0 -22.4 12.6 11.8 75 77 A A S S+ 0 0 5 -3,-0.4 13,-2.8 -6,-0.2 -1,-0.4 -0.945 83.7 169.4-138.2 110.3 -21.4 9.3 13.5 76 78 A V E -DH 48 87B 15 -28,-2.2 -28,-2.8 -2,-0.4 2,-0.4 -0.941 30.2-147.3-131.3 151.3 -20.6 9.6 17.1 77 79 A L E +DH 47 86B 0 9,-2.8 9,-2.3 -2,-0.4 2,-0.3 -0.951 31.3 157.0-111.4 133.9 -19.9 7.5 20.2 78 80 A K E +D 46 0B 91 -32,-2.2 -32,-2.7 -2,-0.4 7,-0.1 -0.888 35.8 32.3-143.0 174.1 -21.0 8.8 23.6 79 81 A G E > S+D 45 0B 19 5,-0.4 3,-2.4 3,-0.3 -34,-0.3 -0.296 72.5 85.6 73.1-155.3 -21.8 7.5 27.1 80 82 A G T 3 S- 0 0 0 -36,-1.4 -37,-1.3 1,-0.3 -1,-0.1 -0.382 120.6 -23.4 55.0-131.6 -20.3 4.4 28.6 81 83 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.482 116.9 108.2 -82.8 -1.8 -17.1 5.5 30.3 82 84 A L < - 0 0 8 -3,-2.4 2,-0.5 -39,-0.1 -3,-0.3 -0.489 54.9-155.0 -89.4 146.2 -16.8 8.5 28.0 83 85 A D - 0 0 116 -2,-0.2 2,-0.1 53,-0.1 -1,-0.0 -0.956 67.9 -3.3-107.1 132.7 -17.2 12.2 28.8 84 86 A G S S- 0 0 47 -2,-0.5 2,-0.5 38,-0.1 -5,-0.4 -0.363 99.7 -44.6 85.7-165.4 -18.2 14.3 25.7 85 87 A T - 0 0 25 -7,-0.1 38,-2.7 -2,-0.1 2,-0.5 -0.912 41.3-163.8-117.7 127.7 -18.6 13.3 22.1 86 88 A Y E -HI 77 122B 3 -9,-2.3 -9,-2.8 -2,-0.5 2,-0.4 -0.958 14.6-143.7-113.8 126.1 -16.3 11.2 20.0 87 89 A R E -HI 76 121B 46 34,-2.7 34,-2.0 -2,-0.5 2,-0.4 -0.724 17.9-117.9 -92.5 137.4 -16.5 11.3 16.2 88 90 A L E + I 0 120B 2 -13,-2.8 32,-0.2 -2,-0.4 -13,-0.1 -0.529 37.6 166.3 -70.2 124.9 -16.0 8.2 14.0 89 91 A I E - 0 0 32 30,-2.7 -21,-2.6 1,-0.4 2,-0.3 0.741 60.2 -25.3-109.0 -36.1 -13.0 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 -0.989 47.4-141.9-165.5 160.8 -12.4 5.2 10.4 91 93 A F E +GI 66 118B 0 -25,-1.9 -25,-2.8 -2,-0.3 2,-0.3 -0.964 24.2 160.1-127.7 158.2 -12.7 1.5 11.0 92 94 A H E - I 0 117B 22 25,-1.8 25,-3.3 -2,-0.3 2,-0.3 -0.921 24.0-125.8-157.6 177.0 -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 -0.890 0.8-149.4-130.2 158.2 -9.6 -4.9 11.3 94 96 A H E + I 0 115B 3 21,-2.1 21,-2.3 -2,-0.3 2,-0.3 -0.977 31.9 171.1-119.9 140.9 -6.8 -7.1 12.5 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.2 19,-0.2 145,-1.0 -0.953 23.5-117.0-150.2 168.7 -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 -0.417 21.5-125.0-102.6 173.4 -5.0 -14.1 11.4 97 99 A S S S+ 0 0 43 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.555 104.8 34.0 -84.5 -13.6 -3.6 -16.5 8.9 98 100 A L S > S- 0 0 106 3,-0.3 3,-1.7 15,-0.1 -2,-0.1 -0.962 90.1-113.3-139.1 153.9 -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 0.736 109.8 68.0 -65.3 -20.3 -9.1 -19.0 12.4 100 102 A G T 3 S+ 0 0 56 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.349 107.5 29.2 -82.7 5.9 -7.5 -19.7 15.8 101 103 A Q < + 0 0 51 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.3 -0.973 66.0 96.5-154.5 164.1 -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 0.048 55.5 106.4 141.4 -29.0 -6.0 -12.8 14.7 103 105 A S - 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