==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 03-NOV-08 3F4X . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.TEMPERINI,A.CECCHI,A.SCOZZAFAVA,C.T.SUPURAN . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11706.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 21.9 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 . 20 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.1 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 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 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 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 0 177 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.4 9.7 0.4 8.7 2 5 A W + 0 0 42 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.240 360.0 135.5 -71.0 148.3 7.3 -1.3 11.2 3 6 A G - 0 0 7 5,-2.6 10,-0.1 2,-0.2 -1,-0.1 -0.667 60.0 -91.4-156.0-146.5 5.3 -4.4 10.3 4 7 A Y S S+ 0 0 33 5,-0.2 5,-0.2 -2,-0.2 237,-0.1 0.339 80.1 107.3-129.8 0.8 4.3 -7.8 11.7 5 8 A G S >> S- 0 0 36 4,-0.1 4,-1.5 1,-0.1 3,-0.5 -0.146 88.1 -91.1 -72.4 174.2 7.1 -10.1 10.4 6 9 A K T 34 S+ 0 0 175 1,-0.2 -1,-0.1 2,-0.2 -3,-0.0 0.805 124.8 39.9 -51.5 -36.0 9.9 -11.7 12.4 7 10 A H T 34 S+ 0 0 153 1,-0.1 -1,-0.2 5,-0.0 -5,-0.0 0.591 129.2 23.6-103.0 -10.7 12.2 -8.7 11.7 8 11 A N T <4 S+ 0 0 57 -3,-0.5 -5,-2.6 -6,-0.1 -2,-0.2 0.238 96.8 118.4-134.0 12.7 9.9 -5.7 12.0 9 12 A G S >X S- 0 0 3 -4,-1.5 3,-2.6 -5,-0.2 4,-0.9 0.117 79.7 -59.3 -81.1-173.7 7.1 -7.1 14.2 10 13 A P T 34 S+ 0 0 24 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.710 128.4 48.5 -42.1 -41.1 5.6 -6.2 17.7 11 14 A E T 34 S+ 0 0 152 1,-0.2 -2,-0.1 2,-0.1 4,-0.0 0.367 107.6 55.8 -97.6 24.5 8.7 -6.7 19.8 12 15 A H T X4 S+ 0 0 61 -3,-2.6 3,-1.7 2,-0.1 4,-0.5 0.572 88.0 82.2 -98.6 -24.0 10.9 -4.6 17.5 13 16 A W G >X S+ 0 0 7 -4,-0.9 4,-2.4 -3,-0.3 3,-0.7 0.778 73.3 71.8 -56.4 -33.8 8.5 -1.6 17.8 14 17 A H G 34 S+ 0 0 63 -4,-0.4 -1,-0.3 1,-0.2 6,-0.1 0.745 87.7 66.1 -56.7 -26.1 9.9 -0.3 21.2 15 18 A K G <4 S+ 0 0 132 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.925 115.7 24.4 -66.8 -47.0 13.1 0.9 19.4 16 19 A D T <4 S+ 0 0 116 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.747 136.0 38.0 -83.8 -24.8 11.4 3.6 17.3 17 20 A F >< - 0 0 45 -4,-2.4 3,-2.5 1,-0.1 -1,-0.2 -0.727 65.0-179.2-130.6 79.3 8.4 3.9 19.8 18 21 A P G > S+ 0 0 102 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.746 77.0 75.6 -51.1 -30.4 9.7 3.6 23.4 19 22 A I G > S+ 0 0 57 1,-0.3 3,-2.4 179,-0.2 5,-0.2 0.617 70.6 89.5 -58.5 -13.0 6.1 4.0 24.7 20 23 A A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.723 93.0 41.6 -55.5 -24.8 5.6 0.3 23.5 21 24 A K G < S+ 0 0 134 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.2 -0.071 98.1 129.5-110.5 27.8 6.7 -0.7 27.0 22 25 A G S X S- 0 0 16 -3,-2.4 3,-0.5 1,-0.1 -3,-0.0 0.021 73.4 -97.8 -78.5-173.2 4.7 2.1 28.6 23 26 A E T 3 S+ 0 0 127 1,-0.2 -1,-0.1 169,-0.0 -3,-0.1 0.575 114.4 35.6 -88.1 -12.9 2.2 2.1 31.5 24 27 A R T 3 S+ 0 0 45 -5,-0.2 -1,-0.2 168,-0.1 2,-0.2 -0.300 79.7 154.6-140.1 54.9 -1.0 1.9 29.4 25 28 A Q < - 0 0 4 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.540 32.8-100.9 -86.0 152.2 -0.3 -0.2 26.3 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.871 77.6 38.8-126.8 154.7 -2.9 -2.2 24.3 27 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.594 65.7 175.6 -78.6 177.8 -4.1 -4.8 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.923 36.4-100.2-134.9 164.3 -4.5 -6.7 26.9 29 32 A D E -a 105 0A 29 216,-0.5 2,-0.9 -2,-0.3 77,-0.2 -0.733 33.5-138.6 -79.7 136.2 -5.9 -10.0 28.0 30 33 A I E -a 106 0A 0 75,-3.1 77,-2.2 -2,-0.4 2,-1.0 -0.858 11.3-159.1 -97.9 105.3 -9.3 -9.5 29.6 31 34 A D >> - 0 0 67 -2,-0.9 4,-1.9 75,-0.2 3,-1.7 -0.773 4.3-159.7 -87.3 104.4 -9.5 -11.8 32.7 32 35 A T T 34 S+ 0 0 43 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.745 87.6 53.1 -60.5 -29.2 -13.2 -12.0 33.1 33 36 A H T 34 S+ 0 0 170 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.628 112.2 45.0 -82.9 -14.3 -13.0 -13.1 36.7 34 37 A T T <4 S+ 0 0 104 -3,-1.7 -2,-0.2 2,-0.1 -1,-0.2 0.718 90.6 97.0 -96.8 -27.5 -10.8 -10.1 37.6 35 38 A A < - 0 0 20 -4,-1.9 2,-0.4 218,-0.1 218,-0.2 -0.420 67.9-143.7 -64.7 135.5 -12.9 -7.4 35.7 36 39 A K E -c 253 0B 128 216,-1.7 218,-2.6 -2,-0.1 2,-0.1 -0.871 14.1-115.3-108.9 132.3 -15.3 -5.6 38.0 37 40 A Y E -c 254 0B 123 -2,-0.4 218,-0.2 216,-0.2 151,-0.0 -0.416 31.9-148.5 -57.1 133.8 -18.8 -4.4 37.2 38 41 A D > - 0 0 26 216,-2.5 3,-1.1 1,-0.1 -1,-0.1 -0.930 17.2-171.5-117.4 108.5 -18.8 -0.6 37.4 39 42 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.738 83.1 67.1 -65.8 -26.4 -22.0 1.2 38.5 40 43 A S T 3 S+ 0 0 90 2,-0.0 2,-0.4 40,-0.0 -2,-0.0 0.542 75.8 108.6 -75.9 -7.6 -20.7 4.7 37.7 41 44 A L < - 0 0 33 -3,-1.1 3,-0.1 213,-0.2 213,-0.0 -0.580 63.2-143.2 -73.2 125.5 -20.7 3.8 33.9 42 45 A K - 0 0 123 37,-1.4 37,-0.1 -2,-0.4 39,-0.1 -0.374 40.1 -74.6 -77.5 163.3 -23.4 5.6 32.0 43 46 A P - 0 0 116 0, 0.0 36,-1.2 0, 0.0 2,-0.4 -0.331 52.7-112.9 -59.4 145.5 -25.1 3.9 29.1 44 47 A L E -D 78 0B 23 34,-0.3 2,-0.5 -3,-0.1 34,-0.2 -0.676 28.1-156.9 -81.5 135.3 -22.9 3.5 26.0 45 48 A S E +D 77 0B 32 32,-2.9 32,-2.2 -2,-0.4 2,-0.7 -0.938 13.6 179.4-121.6 106.2 -24.2 5.6 23.0 46 49 A V E -D 76 0B 35 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.928 6.4-179.1-105.3 107.2 -23.1 4.5 19.5 47 50 A S E +D 75 0B 38 28,-2.8 28,-1.8 -2,-0.7 3,-0.2 -0.792 22.2 145.0-114.4 90.3 -24.7 6.9 17.0 48 51 A Y > + 0 0 4 -2,-0.7 3,-1.2 26,-0.2 130,-0.2 0.195 35.7 108.4-110.8 15.5 -23.8 5.9 13.4 49 52 A D T 3 S+ 0 0 99 1,-0.2 -1,-0.1 128,-0.1 25,-0.1 0.848 86.7 39.7 -61.4 -35.7 -27.0 6.8 11.6 50 53 A Q T 3 S+ 0 0 123 23,-1.0 -1,-0.2 -3,-0.2 24,-0.2 0.259 83.8 150.4 -99.0 12.0 -25.5 9.8 9.8 51 54 A A < - 0 0 20 -3,-1.2 2,-0.6 22,-0.2 123,-0.1 -0.152 31.3-158.7 -53.7 131.1 -22.1 8.2 9.1 52 55 A T - 0 0 49 16,-0.4 16,-3.2 122,-0.1 2,-0.1 -0.826 8.3-169.7-119.0 90.0 -20.4 9.5 6.0 53 56 A S E +E 67 0B 2 -2,-0.6 121,-0.7 122,-0.3 14,-0.3 -0.421 9.4 175.6 -74.5 153.0 -17.8 7.0 4.6 54 57 A L E - 0 0 71 12,-2.6 118,-2.1 1,-0.4 2,-0.3 0.674 51.9 -12.7-126.3 -48.6 -15.5 8.2 1.8 55 58 A R E -EF 66 171B 91 11,-0.8 11,-2.8 116,-0.3 2,-0.4 -0.990 46.7-126.7-158.4 162.0 -12.9 5.6 0.8 56 59 A I E -EF 65 170B 0 114,-2.7 114,-2.4 -2,-0.3 2,-0.4 -0.948 29.2-169.2-115.4 136.9 -11.2 2.4 1.6 57 60 A L E -EF 64 169B 32 7,-2.2 7,-2.7 -2,-0.4 2,-0.8 -0.991 24.5-145.8-134.3 129.7 -7.4 2.3 1.7 58 61 A N E -E 63 0B 0 110,-2.9 109,-2.8 -2,-0.4 5,-0.2 -0.881 22.0-179.7 -86.9 111.9 -4.8 -0.5 1.9 59 62 A N - 0 0 49 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.170 52.2-100.8-102.7 14.9 -2.2 1.2 4.0 60 63 A G S S+ 0 0 6 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.362 117.3 53.5 84.6 -3.6 0.3 -1.7 4.0 61 64 A H S S- 0 0 35 1,-0.6 2,-0.2 -58,-0.1 -1,-0.1 0.594 125.0 -30.9-124.6 -43.3 -0.7 -2.9 7.5 62 65 A A S S- 0 0 6 -5,-0.1 -3,-2.0 31,-0.1 -1,-0.6 -0.787 72.4 -86.2-152.1-165.7 -4.5 -3.3 7.2 63 66 A F E -E 58 0B 0 -2,-0.2 2,-0.5 29,-0.2 29,-0.4 -0.986 35.0-152.0-118.4 136.8 -7.3 -1.6 5.3 64 67 A N E -E 57 0B 22 -7,-2.7 -7,-2.2 -2,-0.4 2,-0.7 -0.909 8.9-154.7-105.8 129.2 -9.0 1.6 6.6 65 68 A V E -EG 56 90B 0 25,-2.8 25,-1.9 -2,-0.5 2,-0.2 -0.933 29.1-153.9 -94.8 113.3 -12.5 2.6 5.9 66 69 A E E -EG 55 89B 44 -11,-2.8 -12,-2.6 -2,-0.7 -11,-0.8 -0.630 8.5-157.6 -95.3 149.7 -12.3 6.4 6.3 67 70 A F E -E 53 0B 9 21,-2.7 2,-0.7 -14,-0.3 -14,-0.3 -0.864 27.3-105.8-126.1 153.5 -15.1 8.8 7.2 68 71 A D + 0 0 47 -16,-3.2 -16,-0.4 -2,-0.3 3,-0.2 -0.732 38.4 173.8 -78.5 116.1 -15.9 12.5 6.9 69 72 A D + 0 0 41 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 0.082 44.7 107.8-115.5 21.9 -15.4 13.9 10.4 70 73 A S S S+ 0 0 79 2,-0.0 2,-0.3 56,-0.0 -1,-0.1 0.330 87.8 28.8 -82.2 5.0 -15.8 17.6 9.6 71 74 A Q S S- 0 0 110 -3,-0.2 2,-1.1 3,-0.1 3,-0.4 -0.957 99.5 -89.3-156.0 155.9 -19.2 17.6 11.4 72 75 A D S S+ 0 0 89 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.601 75.5 125.5 -71.3 97.7 -20.8 15.5 14.2 73 76 A K S S+ 0 0 40 -2,-1.1 -23,-1.0 1,-0.3 2,-0.4 0.628 71.0 28.7-126.3 -37.8 -22.3 12.7 12.2 74 77 A A S S+ 0 0 7 -3,-0.4 13,-3.2 -24,-0.2 2,-0.3 -0.918 82.2 170.0-133.5 103.6 -21.1 9.4 13.6 75 78 A V E -DH 47 86B 17 -28,-1.8 -28,-2.8 -2,-0.4 2,-0.4 -0.910 29.8-154.0-127.6 144.5 -20.4 9.8 17.3 76 79 A L E +DH 46 85B 0 9,-2.8 9,-2.1 -2,-0.3 2,-0.3 -0.952 32.3 149.5-109.4 133.9 -19.5 7.7 20.4 77 80 A K E +D 45 0B 86 -32,-2.2 -32,-2.9 -2,-0.4 7,-0.1 -0.935 34.0 37.9-152.0 173.3 -20.5 9.0 23.8 78 81 A G E > S+D 44 0B 17 5,-0.5 3,-2.2 3,-0.4 -34,-0.3 -0.294 74.3 79.8 75.9-162.6 -21.5 7.8 27.3 79 82 A G T 3 S- 0 0 4 -36,-1.2 -37,-1.4 1,-0.3 -1,-0.1 -0.454 124.3 -20.3 59.4-130.0 -20.1 4.7 28.9 80 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.490 118.3 107.9 -84.2 0.4 -16.7 5.7 30.4 81 84 A L < - 0 0 9 -3,-2.2 2,-0.5 -39,-0.1 -3,-0.4 -0.513 55.1-154.3 -90.3 143.1 -16.6 8.7 28.1 82 85 A D - 0 0 119 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.966 67.2 -12.5-109.5 127.2 -17.0 12.5 28.8 83 86 A G S S- 0 0 52 -2,-0.5 -5,-0.5 39,-0.1 2,-0.4 -0.492 101.2 -38.2 84.1-153.4 -18.1 14.5 25.8 84 87 A T - 0 0 32 -2,-0.2 38,-2.8 -7,-0.1 2,-0.5 -0.925 41.2-164.7-125.5 132.6 -18.3 13.5 22.2 85 88 A Y E -HI 76 121B 5 -9,-2.1 -9,-2.8 -2,-0.4 2,-0.4 -0.965 16.0-142.4-120.8 126.9 -16.0 11.4 20.1 86 89 A R E -HI 75 120B 43 34,-3.0 34,-2.3 -2,-0.5 -11,-0.2 -0.767 17.8-117.6 -97.2 132.2 -16.2 11.4 16.3 87 90 A L E + I 0 119B 3 -13,-3.2 32,-0.3 -2,-0.4 -13,-0.1 -0.435 38.1 164.7 -63.2 125.3 -15.7 8.4 14.1 88 91 A I E - 0 0 36 30,-2.9 -21,-2.7 1,-0.4 2,-0.3 0.754 59.3 -22.6-109.3 -41.2 -12.7 8.8 11.8 89 92 A Q E -GI 66 118B 35 29,-1.1 29,-3.0 -23,-0.2 -1,-0.4 -0.985 47.4-144.0-159.8 161.7 -12.0 5.3 10.5 90 93 A F E +GI 65 117B 0 -25,-1.9 -25,-2.8 -2,-0.3 2,-0.3 -0.976 22.4 158.5-130.1 158.2 -12.3 1.5 11.0 91 94 A H E - I 0 116B 21 25,-1.7 25,-3.0 -2,-0.3 2,-0.3 -0.935 24.4-125.7-159.4 174.8 -10.1 -1.4 10.3 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 23,-0.2 -0.856 0.7-148.4-128.2 161.9 -9.4 -5.1 11.3 93 96 A H E + I 0 114B 2 21,-2.2 21,-2.5 -2,-0.3 2,-0.3 -0.994 31.3 168.5-125.5 135.2 -6.7 -7.3 12.6 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.4 19,-0.2 145,-0.6 -0.928 22.8-122.9-145.1 168.2 -6.8 -11.0 11.6 95 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.422 23.8-118.0-108.2-179.4 -4.8 -14.3 11.5 96 99 A S S S+ 0 0 39 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.591 104.1 33.4 -88.5 -14.3 -3.6 -16.9 9.1 97 100 A L S > S- 0 0 105 3,-0.3 3,-1.5 15,-0.1 -2,-0.2 -0.949 88.1-113.6-139.7 153.6 -5.7 -19.5 10.8 98 101 A D T 3 S+ 0 0 68 -2,-0.3 48,-0.1 1,-0.3 -3,-0.1 0.788 109.1 69.5 -62.4 -27.2 -9.1 -19.3 12.6 99 102 A G T 3 S+ 0 0 60 13,-0.1 2,-0.3 2,-0.1 11,-0.3 0.396 107.5 29.5 -75.7 5.5 -7.5 -20.1 16.0 100 103 A Q < + 0 0 57 -3,-1.5 -5,-0.6 12,-0.1 -3,-0.3 -0.977 65.2 96.8-156.6 162.3 -5.7 -16.7 16.1 101 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.033 53.7 106.3 145.1 -34.2 -6.1 -13.1 14.9 102 105 A S - 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