==== 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 12-MAY-10 3MZC . 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) . 11907.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 62.3 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 . 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 4 A H 0 0 163 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.3 10.3 0.3 9.0 2 5 A W + 0 0 31 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.145 360.0 125.3 -71.9 155.7 7.9 -1.4 11.3 3 6 A G - 0 0 6 5,-2.6 10,-0.1 2,-0.2 -1,-0.1 -0.779 66.8 -74.4-169.2-142.2 5.5 -4.2 10.5 4 7 A Y S S+ 0 0 36 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.188 84.0 108.5-128.1 12.7 4.5 -7.7 11.5 5 8 A G S > S- 0 0 40 4,-0.1 4,-1.4 1,-0.1 3,-0.4 -0.230 84.2 -94.6 -82.6 179.7 7.4 -9.8 10.2 6 9 A K T 4 S+ 0 0 190 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.861 123.4 38.3 -62.2 -36.3 10.2 -11.6 12.0 7 10 A H T 4 S+ 0 0 164 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.582 130.5 25.3 -97.6 -7.8 12.6 -8.7 11.6 8 11 A N T 4 S+ 0 0 55 -3,-0.4 -5,-2.6 -6,-0.1 -2,-0.2 0.245 94.4 119.0-138.1 16.1 10.2 -5.7 12.1 9 12 A G S >X S- 0 0 4 -4,-1.4 3,-2.8 -5,-0.2 4,-0.8 0.092 82.9 -66.1 -82.0-174.4 7.4 -7.1 14.2 10 13 A P T 34 S+ 0 0 31 0, 0.0 3,-0.4 0, 0.0 4,-0.4 0.725 127.3 60.3 -48.6 -32.9 6.0 -6.3 17.7 11 14 A E T 34 S+ 0 0 150 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.642 109.5 44.6 -70.4 -14.9 9.2 -7.4 19.6 12 15 A H T X4 S+ 0 0 60 -3,-2.8 3,-1.8 1,-0.1 4,-0.5 0.605 86.8 88.8 -98.1 -19.1 11.2 -4.8 17.6 13 16 A W G >X S+ 0 0 6 -4,-0.8 4,-2.4 -3,-0.4 3,-0.9 0.787 74.1 69.7 -58.9 -31.0 8.8 -1.8 17.9 14 17 A H G 34 S+ 0 0 67 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.727 87.6 67.0 -60.9 -24.2 10.3 -0.5 21.2 15 18 A K G <4 S+ 0 0 133 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.894 117.3 23.0 -67.6 -39.7 13.6 0.5 19.5 16 19 A D T <4 S+ 0 0 126 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.702 136.2 37.4 -91.0 -23.7 11.8 3.2 17.4 17 20 A F >< - 0 0 55 -4,-2.4 3,-2.5 1,-0.1 -1,-0.2 -0.765 63.8-179.1-132.1 79.6 8.9 3.7 19.8 18 21 A P G > S+ 0 0 102 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.726 76.2 76.5 -58.0 -22.5 10.0 3.3 23.4 19 22 A I G > S+ 0 0 56 1,-0.3 3,-2.6 179,-0.2 -5,-0.1 0.637 70.5 89.0 -62.7 -11.9 6.4 3.9 24.6 20 23 A A G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.768 91.3 44.0 -53.2 -27.7 6.0 0.3 23.5 21 24 A K G < S+ 0 0 139 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.025 96.9 130.5-105.3 25.6 7.1 -0.6 27.1 22 25 A G S < S- 0 0 14 -3,-2.6 3,-0.5 1,-0.1 -3,-0.1 0.104 71.7 -99.2 -75.1-174.7 4.9 2.0 28.6 23 26 A E S S+ 0 0 125 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.560 112.7 32.9 -87.2 -10.3 2.3 2.0 31.5 24 27 A R S S+ 0 0 47 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.292 79.1 156.5-145.1 56.5 -0.9 1.8 29.5 25 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.480 31.8 -99.7 -85.8 152.9 -0.2 -0.2 26.3 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.899 77.6 38.0-128.5 157.8 -2.8 -2.2 24.3 27 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.608 66.2 176.6 -78.9-178.2 -4.0 -4.7 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.917 36.2 -98.2-137.6 161.8 -4.4 -6.7 26.8 29 32 A D E -a 105 0A 31 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.738 33.7-139.4 -76.6 132.1 -5.9 -10.0 28.0 30 33 A I E -a 106 0A 0 75,-2.8 77,-2.7 -2,-0.4 2,-0.9 -0.871 10.6-158.0 -96.0 103.2 -9.3 -9.5 29.5 31 34 A D >> - 0 0 67 -2,-0.8 4,-1.6 75,-0.2 3,-0.6 -0.792 5.2-160.8 -81.8 104.5 -9.5 -11.7 32.5 32 35 A T T 34 S+ 0 0 44 -2,-0.9 -1,-0.2 1,-0.2 222,-0.0 0.791 86.7 51.3 -63.3 -29.4 -13.3 -12.0 32.9 33 36 A H T 34 S+ 0 0 173 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.837 113.6 44.6 -80.8 -25.3 -13.2 -13.2 36.5 34 37 A T T <4 S+ 0 0 105 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.643 87.5 103.5 -93.4 -20.6 -11.0 -10.2 37.5 35 38 A A S < S- 0 0 18 -4,-1.6 2,-0.5 216,-0.1 218,-0.2 -0.376 70.6-131.0 -61.4 144.0 -12.8 -7.5 35.6 36 39 A K E -c 253 0B 125 216,-2.2 218,-2.7 -2,-0.0 2,-0.2 -0.873 8.4-126.5-105.8 123.2 -15.0 -5.4 38.0 37 40 A Y E -c 254 0B 85 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.504 24.7-159.7 -61.1 132.7 -18.6 -4.6 37.3 38 41 A D > - 0 0 37 216,-2.4 3,-2.1 -2,-0.2 -1,-0.1 -0.898 12.6-171.4-123.0 97.5 -18.9 -0.8 37.6 39 42 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.687 83.9 68.6 -66.8 -14.7 -22.6 0.3 38.2 40 43 A S T 3 S+ 0 0 91 -3,-0.1 2,-0.5 2,-0.1 215,-0.1 0.495 73.4 109.7 -80.6 -5.8 -21.5 3.9 37.6 41 44 A L < - 0 0 32 -3,-2.1 3,-0.1 213,-0.2 38,-0.1 -0.635 66.5-137.1 -75.3 120.7 -20.9 3.2 33.9 42 45 A K - 0 0 117 37,-1.2 39,-0.1 -2,-0.5 3,-0.1 -0.301 33.1 -86.6 -69.5 156.1 -23.5 4.9 31.7 43 46 A P - 0 0 113 0, 0.0 36,-1.3 0, 0.0 2,-0.2 -0.432 47.9-105.5 -63.2 145.2 -25.0 3.0 28.8 44 47 A L E -D 78 0B 20 34,-0.3 2,-0.5 141,-0.2 34,-0.2 -0.480 28.9-154.0 -67.5 140.0 -23.1 3.2 25.5 45 48 A S E -D 77 0B 45 32,-2.8 32,-2.2 -2,-0.2 2,-0.7 -0.953 11.9-176.8-119.8 106.6 -24.6 5.5 22.9 46 49 A V E +D 76 0B 32 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.923 3.0 179.7-103.3 109.4 -23.7 4.6 19.3 47 50 A S E +D 75 0B 37 28,-2.9 28,-2.2 -2,-0.7 3,-0.2 -0.800 22.4 143.2-116.1 89.4 -25.3 7.1 17.0 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.7 26,-0.2 130,-0.2 0.226 32.1 110.4-111.0 12.6 -24.3 6.2 13.4 49 52 A D T 3 S+ 0 0 96 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.832 85.3 40.5 -62.8 -32.5 -27.5 7.1 11.5 50 53 A Q T 3 S+ 0 0 129 23,-1.0 -1,-0.3 -3,-0.2 24,-0.2 0.173 83.8 148.7-100.3 17.1 -25.9 10.0 9.7 51 54 A A < - 0 0 24 -3,-1.7 2,-0.5 22,-0.1 123,-0.1 -0.206 31.5-160.5 -54.7 137.2 -22.6 8.3 9.0 52 55 A T - 0 0 45 16,-0.3 16,-2.6 122,-0.1 2,-0.2 -0.871 5.2-166.2-121.7 97.7 -20.9 9.4 5.8 53 56 A S E +E 67 0B 1 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.515 10.5 174.6 -76.8 149.2 -18.3 6.8 4.6 54 57 A L E - 0 0 78 12,-3.0 118,-2.2 1,-0.4 2,-0.3 0.712 48.9 -7.8-118.8 -43.4 -15.9 8.1 1.9 55 58 A R E -EF 66 171B 82 11,-1.0 11,-2.8 116,-0.3 2,-0.4 -0.978 45.6-132.4-161.9 154.8 -13.2 5.7 0.9 56 59 A I E -EF 65 170B 0 114,-2.4 114,-2.2 -2,-0.3 2,-0.4 -0.993 27.8-171.5-123.6 135.5 -11.4 2.5 1.7 57 60 A L E -EF 64 169B 33 7,-2.2 7,-2.5 -2,-0.4 2,-0.7 -0.989 24.5-145.7-133.5 130.9 -7.6 2.4 1.8 58 61 A N E -E 63 0B 0 110,-2.8 109,-3.0 -2,-0.4 5,-0.2 -0.876 21.6-179.9 -89.4 111.7 -5.0 -0.3 2.0 59 62 A N - 0 0 45 3,-2.0 4,-0.1 -2,-0.7 -1,-0.1 0.331 52.1-101.1 -98.8 9.0 -2.2 1.4 4.1 60 63 A G S S+ 0 0 6 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.313 117.6 55.5 92.0 -8.3 0.2 -1.5 4.2 61 64 A H S S- 0 0 31 1,-0.6 2,-0.2 -58,-0.1 166,-0.1 0.579 124.4 -32.8-123.3 -32.1 -0.8 -2.6 7.7 62 65 A A S S- 0 0 5 -5,-0.1 -3,-2.0 165,-0.1 -1,-0.6 -0.858 70.5 -89.2-164.5-169.5 -4.6 -3.1 7.4 63 66 A F E -E 58 0B 0 29,-0.3 29,-0.5 -2,-0.2 2,-0.5 -0.990 34.9-153.6-119.9 138.6 -7.4 -1.5 5.4 64 67 A N E -E 57 0B 20 -7,-2.5 -7,-2.2 -2,-0.4 2,-0.7 -0.918 10.9-152.2-113.1 131.6 -9.3 1.5 6.7 65 68 A V E -EG 56 90B 0 25,-2.7 25,-1.8 -2,-0.5 2,-0.3 -0.916 30.3-152.3 -93.8 117.4 -12.8 2.6 5.8 66 69 A E E -EG 55 89B 48 -11,-2.8 -12,-3.0 -2,-0.7 -11,-1.0 -0.687 10.4-160.3-100.8 147.7 -12.7 6.3 6.3 67 70 A F E -E 53 0B 8 21,-2.6 2,-0.8 -2,-0.3 -14,-0.2 -0.821 31.5 -98.6-123.8 158.4 -15.6 8.7 7.3 68 71 A D + 0 0 34 -16,-2.6 -16,-0.3 -2,-0.3 5,-0.3 -0.692 42.2 171.4 -72.2 110.3 -16.4 12.4 7.1 69 72 A D + 0 0 39 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 0.015 47.7 102.4-113.9 27.1 -15.5 13.6 10.6 70 73 A S S S+ 0 0 83 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.418 90.4 25.4 -90.2 0.6 -15.9 17.3 9.9 71 74 A Q S S- 0 0 116 -3,-0.3 2,-2.2 3,-0.1 3,-0.4 -0.943 100.8 -87.2-149.3 165.1 -19.3 17.3 11.6 72 75 A D S S+ 0 0 87 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.402 75.7 131.8 -75.4 68.3 -21.0 15.2 14.3 73 76 A K S S+ 0 0 48 -2,-2.2 -23,-1.0 1,-0.3 2,-0.4 0.813 73.8 18.8 -91.3 -39.0 -22.4 12.6 11.8 74 77 A A S S+ 0 0 6 -3,-0.4 13,-2.9 -24,-0.2 2,-0.3 -0.952 84.7 169.1-137.5 110.5 -21.4 9.3 13.4 75 78 A V E -DH 47 86B 13 -28,-2.2 -28,-2.9 -2,-0.4 2,-0.4 -0.927 30.1-148.0-133.5 152.5 -20.6 9.6 17.1 76 79 A L E +DH 46 85B 0 9,-2.8 9,-2.2 -2,-0.3 2,-0.3 -0.970 30.4 156.2-116.1 133.9 -20.0 7.5 20.2 77 80 A K E +D 45 0B 81 -32,-2.2 -32,-2.8 -2,-0.4 7,-0.1 -0.879 35.5 34.3-145.0 174.0 -21.0 8.9 23.6 78 81 A G E > S+D 44 0B 20 5,-0.4 3,-2.4 3,-0.3 -34,-0.3 -0.274 72.4 84.3 73.0-156.5 -21.9 7.5 27.1 79 82 A G T 3 S- 0 0 3 -36,-1.3 -37,-1.2 1,-0.3 -1,-0.1 -0.426 121.3 -22.7 56.8-130.6 -20.3 4.5 28.7 80 83 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.461 116.5 111.0 -81.8 -2.8 -17.0 5.6 30.3 81 84 A L < - 0 0 7 -3,-2.4 2,-0.5 -39,-0.1 -3,-0.3 -0.496 54.1-156.2 -89.0 143.0 -16.8 8.6 28.0 82 85 A D - 0 0 115 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.955 68.1 -6.6-106.9 128.0 -17.2 12.3 28.8 83 86 A G S S- 0 0 50 -2,-0.5 -5,-0.4 38,-0.1 2,-0.4 -0.406 99.7 -41.8 87.7-162.3 -18.2 14.3 25.7 84 87 A T - 0 0 32 -7,-0.1 38,-2.5 -2,-0.1 2,-0.5 -0.895 42.0-163.6-117.8 129.6 -18.6 13.4 22.1 85 88 A Y E -HI 76 121B 4 -9,-2.2 -9,-2.8 -2,-0.4 2,-0.4 -0.973 14.3-143.4-118.8 124.2 -16.3 11.2 20.0 86 89 A R E -HI 75 120B 46 34,-2.6 34,-2.0 -2,-0.5 2,-0.3 -0.695 17.7-118.4 -92.0 133.8 -16.5 11.3 16.2 87 90 A L E + I 0 119B 2 -13,-2.9 32,-0.3 -2,-0.4 -13,-0.2 -0.504 38.1 165.5 -66.4 122.2 -16.0 8.2 14.0 88 91 A I E - 0 0 32 30,-2.8 -21,-2.6 1,-0.4 2,-0.3 0.757 60.1 -24.4-106.9 -38.0 -13.0 8.7 11.7 89 92 A Q E -GI 66 118B 30 29,-1.2 29,-2.9 -23,-0.2 -1,-0.4 -0.983 47.8-144.9-164.0 159.3 -12.3 5.2 10.4 90 93 A F E +GI 65 117B 0 -25,-1.8 -25,-2.7 -2,-0.3 2,-0.3 -0.960 23.6 159.7-127.9 158.6 -12.7 1.5 11.1 91 94 A H E - I 0 116B 21 25,-1.8 25,-3.0 -2,-0.3 2,-0.3 -0.933 24.2-125.6-157.0 177.8 -10.4 -1.4 10.3 92 95 A F E - I 0 115B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.879 0.6-148.4-130.4 162.0 -9.6 -4.9 11.3 93 96 A H E + I 0 114B 4 21,-2.1 21,-2.3 -2,-0.3 2,-0.3 -0.985 31.4 170.5-122.3 142.2 -6.8 -7.1 12.5 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.2 19,-0.2 145,-1.0 -0.937 23.2-118.0-151.7 168.2 -6.9 -10.8 11.5 95 98 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.6 3,-0.1 -0.452 22.7-123.0-103.6 175.0 -5.0 -14.1 11.4 96 99 A S S S+ 0 0 44 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.565 104.8 35.0 -85.9 -13.1 -3.6 -16.6 8.9 97 100 A L S > S- 0 0 104 3,-0.3 3,-1.7 15,-0.1 -2,-0.2 -0.960 90.1-113.0-139.3 154.2 -5.7 -19.2 10.7 98 101 A D T 3 S+ 0 0 75 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.735 110.2 66.0 -65.4 -22.0 -9.2 -19.0 12.4 99 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.365 107.4 33.8 -83.3 4.9 -7.7 -19.6 15.8 100 103 A Q < + 0 0 50 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.3 -0.968 65.3 94.7-150.1 163.4 -5.7 -16.4 15.9 101 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.003 56.0 106.0 143.4 -31.4 -6.1 -12.8 14.7 102 105 A S - 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