==== 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 19-APR-10 3MMF . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.S.AVVARU,J.WAGNER,A.H.ROBBINS,R.MCKENNA . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12001.0 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 . 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 8.6 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 . 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 4 A H 0 0 169 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.2 10.0 0.1 8.7 2 5 A W + 0 0 31 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.291 360.0 130.1 -72.1 156.3 7.8 -1.7 11.3 3 6 A G - 0 0 6 5,-2.5 10,-0.1 2,-0.1 -1,-0.1 -0.783 65.3 -76.5-168.9-143.6 5.4 -4.5 10.4 4 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.150 82.8 110.3-129.0 15.6 4.4 -8.0 11.5 5 8 A G S > S- 0 0 40 1,-0.1 4,-1.4 4,-0.1 3,-0.3 -0.239 83.8 -94.8 -84.6-179.8 7.3 -10.0 10.2 6 9 A K T 4 S+ 0 0 176 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.852 123.9 38.2 -62.9 -33.7 10.0 -11.9 12.0 7 10 A H T 4 S+ 0 0 143 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.587 130.1 25.3-100.7 -8.6 12.4 -9.0 11.6 8 11 A N T 4 S+ 0 0 55 -3,-0.3 -5,-2.5 -6,-0.1 -2,-0.2 0.223 93.2 120.8-137.4 17.0 10.1 -6.0 12.1 9 12 A G S >X S- 0 0 4 -4,-1.4 3,-2.9 -5,-0.2 4,-0.7 0.088 81.9 -67.1 -80.4-173.7 7.3 -7.4 14.2 10 13 A P G >4 S+ 0 0 27 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.734 127.4 60.5 -49.6 -32.2 5.9 -6.4 17.7 11 14 A E G 34 S+ 0 0 144 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.629 109.3 45.3 -72.7 -11.2 9.0 -7.6 19.6 12 15 A H G X> S+ 0 0 61 -3,-2.9 3,-1.8 1,-0.1 4,-0.5 0.579 86.8 88.9-100.8 -15.2 11.0 -5.0 17.6 13 16 A W H XX S+ 0 0 6 -4,-0.7 4,-2.6 -3,-0.5 3,-0.8 0.798 73.5 69.6 -63.2 -30.2 8.7 -2.0 17.9 14 17 A H H 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.733 87.9 67.1 -59.7 -24.0 10.2 -0.6 21.1 15 18 A K H <4 S+ 0 0 131 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.909 117.2 23.0 -67.4 -41.2 13.4 0.3 19.4 16 19 A D H << S+ 0 0 125 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.730 136.4 37.0 -90.2 -24.2 11.7 3.0 17.3 17 20 A F >< - 0 0 56 -4,-2.6 3,-2.5 1,-0.1 -1,-0.2 -0.785 64.5-178.0-132.0 83.5 8.7 3.5 19.7 18 21 A P G > S+ 0 0 100 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 0.719 76.5 75.9 -60.8 -21.9 9.9 3.2 23.3 19 22 A I G > S+ 0 0 64 1,-0.3 3,-2.4 179,-0.2 -5,-0.1 0.633 70.5 89.6 -64.7 -11.3 6.4 3.7 24.6 20 23 A A G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.745 90.5 45.1 -54.0 -26.0 5.9 0.1 23.4 21 24 A K G < S+ 0 0 138 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.2 0.009 96.6 131.2-106.0 25.1 7.0 -0.8 27.0 22 25 A G S < S- 0 0 12 -3,-2.4 3,-0.5 1,-0.1 -3,-0.0 0.099 71.1-100.3 -75.2-174.2 4.8 1.8 28.6 23 26 A E S S+ 0 0 124 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.587 112.6 33.3 -88.2 -14.1 2.3 1.8 31.4 24 27 A R S S+ 0 0 46 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.304 79.6 156.3-141.6 55.9 -0.9 1.6 29.5 25 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.488 31.7 -99.8 -85.8 153.3 -0.3 -0.5 26.3 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.898 77.5 37.8-128.0 157.2 -2.8 -2.4 24.3 27 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.578 66.2 176.8 -79.2-177.2 -4.1 -4.9 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.910 36.1 -97.9-139.2 162.3 -4.5 -6.9 26.8 29 32 A D E -a 105 0A 27 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.747 33.8-139.8 -77.9 133.2 -6.0 -10.2 28.0 30 33 A I E -a 106 0A 0 75,-2.9 77,-2.5 -2,-0.4 2,-0.9 -0.868 10.7-158.9 -96.6 104.8 -9.4 -9.7 29.5 31 34 A D >> - 0 0 68 -2,-0.8 4,-1.6 75,-0.2 3,-0.6 -0.794 5.1-160.1 -87.1 106.9 -9.6 -11.9 32.5 32 35 A T T 34 S+ 0 0 42 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.755 86.3 52.4 -67.7 -23.9 -13.4 -12.2 32.9 33 36 A H T 34 S+ 0 0 172 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.821 112.6 44.6 -83.9 -24.5 -13.3 -13.3 36.4 34 37 A T T <4 S+ 0 0 112 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.649 88.9 98.9 -92.2 -21.5 -11.0 -10.3 37.5 35 38 A A S < S- 0 0 17 -4,-1.6 2,-0.5 216,-0.1 218,-0.2 -0.413 71.7-135.1 -63.8 142.4 -12.9 -7.6 35.6 36 39 A K E -c 253 0B 141 216,-2.0 218,-2.4 -2,-0.0 2,-0.2 -0.902 8.2-121.8-109.8 133.9 -15.2 -5.8 38.0 37 40 A Y E -c 254 0B 73 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.466 23.4-160.5 -63.0 132.6 -18.8 -4.8 37.2 38 41 A D > - 0 0 33 216,-2.5 3,-2.0 -2,-0.2 -1,-0.1 -0.909 6.9-167.7-119.4 100.3 -19.2 -1.1 37.6 39 42 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.669 84.9 65.0 -67.7 -12.9 -22.9 -0.3 38.0 40 43 A S T 3 S+ 0 0 90 -3,-0.1 2,-0.2 2,-0.1 215,-0.1 0.606 75.3 108.5 -81.2 -14.7 -22.2 3.4 37.4 41 44 A L < - 0 0 28 -3,-2.0 3,-0.1 213,-0.2 38,-0.0 -0.475 67.4-135.5 -63.8 131.1 -21.1 2.7 33.8 42 45 A K - 0 0 142 37,-1.1 39,-0.1 -2,-0.2 2,-0.1 -0.354 26.9 -89.3 -81.3 160.9 -23.7 4.1 31.4 43 46 A P - 0 0 112 0, 0.0 36,-1.6 0, 0.0 2,-0.1 -0.462 50.6-103.6 -63.2 149.2 -25.0 2.2 28.4 44 47 A L E -D 78 0B 15 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.469 27.6-147.0 -66.5 145.5 -23.0 2.9 25.2 45 48 A S E -D 77 0B 48 32,-2.7 32,-2.4 -2,-0.1 2,-0.6 -0.963 16.4-177.8-115.8 109.8 -24.6 5.2 22.7 46 49 A V E +D 76 0B 33 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.935 1.3 180.0-107.4 109.7 -23.8 4.3 19.2 47 50 A S E +D 75 0B 41 28,-2.8 28,-2.0 -2,-0.6 3,-0.2 -0.794 23.5 142.3-116.8 88.4 -25.3 6.8 16.8 48 51 A Y > + 0 0 2 -2,-0.7 3,-1.9 26,-0.2 130,-0.2 0.256 32.6 110.1-109.5 7.4 -24.3 5.8 13.3 49 52 A D T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.831 87.0 38.8 -57.5 -32.7 -27.5 6.6 11.4 50 53 A Q T 3 S+ 0 0 128 23,-0.9 -1,-0.3 -3,-0.2 24,-0.2 0.158 83.9 146.3-103.5 19.4 -25.9 9.5 9.5 51 54 A A < - 0 0 23 -3,-1.9 2,-0.5 1,-0.1 23,-0.1 -0.259 33.4-158.4 -58.5 139.2 -22.6 7.9 8.9 52 55 A T - 0 0 47 16,-0.3 16,-2.6 122,-0.1 2,-0.2 -0.879 4.9-164.9-122.7 95.5 -20.9 8.9 5.6 53 56 A S E +E 67 0B 1 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.494 11.8 173.4 -73.3 150.3 -18.3 6.4 4.5 54 57 A L E - 0 0 78 12,-3.1 118,-2.1 1,-0.4 2,-0.3 0.724 49.5 -3.7-121.9 -42.3 -16.0 7.7 1.8 55 58 A R E -EF 66 171B 85 11,-1.0 11,-3.0 116,-0.3 -1,-0.4 -0.975 47.2-135.8-159.3 154.2 -13.1 5.4 0.8 56 59 A I E -EF 65 170B 0 114,-2.4 114,-2.1 -2,-0.3 2,-0.4 -0.994 26.8-170.1-124.6 135.4 -11.4 2.2 1.6 57 60 A L E -EF 64 169B 32 7,-2.3 7,-2.5 -2,-0.4 2,-0.7 -0.985 24.5-146.7-132.3 130.5 -7.6 2.1 1.8 58 61 A N E -E 63 0B 0 110,-2.7 109,-2.9 -2,-0.4 5,-0.2 -0.875 21.6-179.9 -87.2 111.4 -5.0 -0.7 2.0 59 62 A N - 0 0 49 3,-2.0 4,-0.1 -2,-0.7 -1,-0.1 0.313 51.8-102.0 -98.5 10.4 -2.3 1.0 4.1 60 63 A G S S+ 0 0 6 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.361 117.5 56.7 86.8 -5.6 0.1 -1.9 4.1 61 64 A H S S- 0 0 33 1,-0.6 2,-0.3 -58,-0.1 166,-0.1 0.576 124.4 -34.2-123.3 -32.1 -0.8 -2.9 7.7 62 65 A A S S- 0 0 6 -5,-0.1 -3,-2.0 31,-0.1 -1,-0.6 -0.858 70.8 -87.9-164.6-168.9 -4.6 -3.4 7.4 63 66 A F E -E 58 0B 0 29,-0.3 29,-0.5 -2,-0.3 2,-0.5 -0.990 35.1-152.5-119.4 138.3 -7.4 -1.8 5.3 64 67 A N E -E 57 0B 22 -7,-2.5 -7,-2.3 -2,-0.4 2,-0.6 -0.924 9.6-152.9-110.5 130.4 -9.3 1.2 6.6 65 68 A V E -EG 56 90B 0 25,-2.8 25,-1.9 -2,-0.5 2,-0.3 -0.912 30.6-151.5 -93.9 117.1 -12.9 2.2 5.8 66 69 A E E -EG 55 89B 44 -11,-3.0 -12,-3.1 -2,-0.6 -11,-1.0 -0.709 10.8-159.2-101.6 147.4 -12.8 5.9 6.2 67 70 A F E -E 53 0B 9 21,-2.6 2,-0.8 -2,-0.3 -14,-0.2 -0.827 31.1-100.4-122.5 154.5 -15.6 8.3 7.1 68 71 A D + 0 0 35 -16,-2.6 -16,-0.3 -2,-0.3 3,-0.3 -0.682 41.6 172.4 -70.7 110.7 -16.4 12.0 6.8 69 72 A D + 0 0 44 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 0.000 47.8 102.9-111.2 27.6 -15.5 13.2 10.3 70 73 A S S S+ 0 0 82 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.424 89.6 26.1 -90.9 1.0 -15.9 16.9 9.5 71 74 A Q S S- 0 0 118 -3,-0.3 2,-1.9 3,-0.1 3,-0.4 -0.951 98.8 -88.1-149.0 165.9 -19.3 17.0 11.3 72 75 A D S S+ 0 0 92 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.556 76.6 128.6 -76.2 80.0 -21.1 15.0 14.1 73 76 A K S S+ 0 0 47 -2,-1.9 -23,-0.9 1,-0.3 2,-0.4 0.713 74.1 20.9-105.5 -35.4 -22.5 12.4 11.7 74 77 A A S S+ 0 0 6 -3,-0.4 13,-2.9 -24,-0.2 2,-0.3 -0.910 83.4 167.2-136.8 109.0 -21.5 9.1 13.4 75 78 A V E -DH 47 86B 8 -28,-2.0 -28,-2.8 -2,-0.4 2,-0.4 -0.917 31.2-146.8-131.9 153.2 -20.6 9.4 17.0 76 79 A L E +DH 46 85B 0 9,-2.9 9,-2.3 -2,-0.3 2,-0.3 -0.962 31.9 155.6-113.9 131.8 -20.0 7.3 20.1 77 80 A K E +D 45 0B 84 -32,-2.4 -32,-2.7 -2,-0.4 7,-0.1 -0.860 36.2 34.3-142.3 175.3 -21.1 8.6 23.5 78 81 A G E > S+D 44 0B 20 5,-0.4 3,-2.3 3,-0.3 -34,-0.3 -0.265 73.0 84.5 73.2-157.7 -22.0 7.3 26.9 79 82 A G T 3 S- 0 0 6 -36,-1.6 -37,-1.1 1,-0.3 -1,-0.1 -0.402 120.4 -23.3 57.8-131.9 -20.4 4.2 28.5 80 83 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.487 116.0 110.4 -83.5 -2.6 -17.2 5.3 30.2 81 84 A L < - 0 0 14 -3,-2.3 2,-0.5 -39,-0.1 -3,-0.3 -0.490 55.2-153.8 -88.9 143.0 -16.9 8.3 28.0 82 85 A D - 0 0 134 -2,-0.2 2,-0.1 53,-0.1 -1,-0.0 -0.948 69.3 -7.1-102.5 128.8 -17.2 12.0 28.7 83 86 A G S S- 0 0 50 -2,-0.5 -5,-0.4 38,-0.1 2,-0.4 -0.439 99.1 -44.6 87.1-159.7 -18.3 14.0 25.6 84 87 A T - 0 0 25 -2,-0.1 38,-2.6 -7,-0.1 2,-0.5 -0.923 41.0-162.3-124.0 130.8 -18.7 13.0 22.0 85 88 A Y E -HI 76 121B 4 -9,-2.3 -9,-2.9 -2,-0.4 2,-0.4 -0.976 14.3-142.0-119.3 127.3 -16.3 10.9 19.9 86 89 A R E -HI 75 120B 44 34,-2.7 34,-2.1 -2,-0.5 2,-0.3 -0.725 17.8-118.7 -94.8 134.1 -16.5 11.0 16.1 87 90 A L E + I 0 119B 2 -13,-2.9 32,-0.3 -2,-0.4 -13,-0.1 -0.482 37.6 165.2 -68.5 126.0 -16.0 7.9 13.9 88 91 A I E - 0 0 36 30,-2.7 -21,-2.6 1,-0.4 2,-0.3 0.736 60.2 -24.4-109.9 -36.5 -13.1 8.4 11.6 89 92 A Q E -GI 66 118B 33 29,-1.2 29,-2.9 -23,-0.2 -1,-0.4 -0.980 47.6-143.8-165.9 158.2 -12.4 4.9 10.3 90 93 A F E +GI 65 117B 0 -25,-1.9 -25,-2.8 -2,-0.3 2,-0.3 -0.960 23.5 161.3-126.4 157.6 -12.7 1.2 11.0 91 94 A H E - I 0 116B 21 25,-1.8 25,-3.0 -2,-0.3 2,-0.3 -0.932 23.7-127.1-155.1 176.4 -10.4 -1.7 10.3 92 95 A F E - I 0 115B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.875 0.3-148.2-128.6 162.1 -9.7 -5.2 11.3 93 96 A H E + I 0 114B 3 21,-2.1 21,-2.2 -2,-0.3 2,-0.3 -0.983 31.4 169.7-123.8 140.7 -6.8 -7.4 12.5 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.9 -0.931 23.5-116.7-150.9 167.8 -6.9 -11.1 11.5 95 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.411 23.1-121.9-102.8 174.3 -5.0 -14.3 11.5 96 99 A S S S+ 0 0 43 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.571 105.3 31.3 -83.5 -13.7 -3.5 -16.8 9.0 97 100 A L S > S- 0 0 107 3,-0.3 3,-1.6 15,-0.1 -2,-0.2 -0.953 89.6-111.7-141.8 156.0 -5.7 -19.5 10.7 98 101 A D T 3 S+ 0 0 76 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.754 109.7 69.8 -66.6 -21.7 -9.1 -19.3 12.4 99 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.406 107.1 27.9 -77.2 2.8 -7.4 -20.0 15.8 100 103 A Q < + 0 0 51 -3,-1.6 -5,-0.6 12,-0.1 -3,-0.3 -0.971 65.6 98.0-154.3 164.5 -5.7 -16.6 16.0 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.042 54.6 106.7 144.1 -32.2 -6.1 -13.0 14.8 102 105 A S - 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