==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 05-MAR-10 3M1J . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.TEMPERINI,L.MESSORI . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11953.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.2 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 . 25 9.7 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 . 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 . 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 0 177 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.8 9.8 0.3 8.7 2 5 A W + 0 0 54 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.192 360.0 135.0 -64.6 145.8 7.5 -1.4 11.2 3 6 A G - 0 0 10 5,-2.7 10,-0.1 2,-0.2 -1,-0.1 -0.677 62.0 -89.1-155.9-147.1 5.3 -4.4 10.3 4 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.315 81.7 108.0-124.8 2.4 4.3 -7.8 11.7 5 8 A G S > S- 0 0 31 4,-0.1 4,-1.2 1,-0.1 3,-0.4 -0.085 86.5 -90.4 -76.7 178.7 7.1 -10.0 10.4 6 9 A K T 4 S+ 0 0 185 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.842 124.4 36.9 -54.4 -38.5 10.1 -11.6 12.2 7 10 A H T 4 S+ 0 0 161 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.578 130.4 25.7-101.1 -11.1 12.4 -8.7 11.6 8 11 A N T 4 S+ 0 0 58 -3,-0.4 -5,-2.7 -6,-0.1 -2,-0.2 0.190 94.8 119.1-134.7 15.2 10.0 -5.7 12.0 9 12 A G S >X S- 0 0 3 -4,-1.2 3,-3.0 -5,-0.2 4,-0.9 0.034 83.7 -68.6 -82.8-174.8 7.2 -7.0 14.2 10 13 A P T 34 S+ 0 0 32 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.729 128.4 61.2 -45.2 -34.1 5.8 -6.1 17.7 11 14 A E T 34 S+ 0 0 151 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.673 109.7 42.2 -68.0 -17.3 9.0 -7.3 19.4 12 15 A H T X4 S+ 0 0 63 -3,-3.0 3,-1.7 1,-0.1 4,-0.5 0.613 88.8 88.5-101.0 -19.6 11.0 -4.7 17.5 13 16 A W G >X S+ 0 0 6 -4,-0.9 4,-2.5 1,-0.3 3,-0.6 0.771 73.7 70.4 -56.9 -32.8 8.6 -1.7 17.7 14 17 A H G 34 S+ 0 0 68 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.731 87.5 66.2 -59.8 -24.5 10.0 -0.4 21.0 15 18 A K G <4 S+ 0 0 131 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.934 117.0 23.6 -66.2 -45.9 13.3 0.7 19.4 16 19 A D T <4 S+ 0 0 113 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.744 136.1 37.9 -86.0 -26.8 11.6 3.4 17.3 17 20 A F >< - 0 0 40 -4,-2.5 3,-2.7 1,-0.1 -1,-0.2 -0.722 64.9-179.3-128.1 78.3 8.6 3.8 19.6 18 21 A P G > S+ 0 0 99 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.740 76.8 76.1 -53.0 -23.9 9.8 3.5 23.2 19 22 A I G > S+ 0 0 59 1,-0.3 3,-2.6 2,-0.2 5,-0.2 0.644 70.4 88.2 -62.5 -14.2 6.2 4.0 24.4 20 23 A A G < S+ 0 0 5 -3,-2.7 -1,-0.3 1,-0.3 -6,-0.1 0.733 92.9 42.5 -55.3 -26.0 5.7 0.3 23.3 21 24 A K G < S+ 0 0 146 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 -0.036 97.6 129.6-106.8 25.5 6.9 -0.6 26.9 22 25 A G S < S- 0 0 16 -3,-2.6 3,-0.4 1,-0.1 -3,-0.0 0.129 72.5 -97.4 -74.6-169.4 4.8 2.2 28.5 23 26 A E S S+ 0 0 121 1,-0.2 227,-0.2 169,-0.0 -1,-0.1 0.566 113.5 33.6 -92.1 -13.6 2.3 2.2 31.3 24 27 A R S S+ 0 0 45 -5,-0.2 -1,-0.2 225,-0.1 2,-0.2 -0.285 79.4 156.2-139.8 53.3 -1.0 1.9 29.4 25 28 A Q - 0 0 3 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.526 31.9-100.7 -84.5 151.3 -0.3 -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 -0.869 77.9 39.7-126.0 155.5 -2.9 -2.1 24.3 27 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.569 66.1 177.6 -83.8-179.7 -4.2 -4.6 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.920 35.7 -99.4-134.9 163.6 -4.6 -6.6 26.9 29 32 A D E -a 105 0A 29 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.729 33.7-138.9 -79.3 131.6 -6.0 -9.8 28.1 30 33 A I E -a 106 0A 0 75,-3.1 77,-2.5 -2,-0.4 2,-1.0 -0.859 12.0-159.4 -92.1 104.3 -9.5 -9.3 29.6 31 34 A D >> - 0 0 67 -2,-0.9 3,-2.0 75,-0.2 4,-1.7 -0.774 3.0-159.5 -86.2 103.2 -9.6 -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 0.739 87.9 53.0 -58.8 -27.2 -13.4 -11.8 33.2 33 36 A H T 34 S+ 0 0 167 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.449 111.5 45.7 -89.6 -1.8 -13.0 -12.8 36.9 34 37 A T T <4 S+ 0 0 108 -3,-2.0 -2,-0.2 2,-0.0 -1,-0.2 0.629 92.6 92.9-107.6 -24.7 -10.8 -9.8 37.7 35 38 A A < - 0 0 19 -4,-1.7 2,-0.4 216,-0.1 218,-0.2 -0.445 68.3-144.9 -70.3 142.6 -13.0 -7.2 35.8 36 39 A K E -c 253 0B 164 216,-1.5 218,-2.7 -2,-0.1 2,-0.1 -0.917 15.5-113.5-115.8 136.4 -15.6 -5.5 38.0 37 40 A Y E -c 254 0B 83 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.457 31.9-148.9 -59.0 132.0 -19.1 -4.3 37.2 38 41 A D > - 0 0 16 216,-2.7 3,-1.3 -2,-0.1 -1,-0.1 -0.917 16.3-171.2-113.9 108.1 -19.1 -0.5 37.4 39 42 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.692 83.4 67.8 -69.7 -17.3 -22.5 1.0 38.4 40 43 A S T 3 S+ 0 0 90 2,-0.0 2,-0.4 40,-0.0 -2,-0.0 0.480 74.8 107.7 -82.4 -4.0 -21.2 4.5 37.6 41 44 A L < - 0 0 30 -3,-1.3 3,-0.1 213,-0.2 213,-0.0 -0.620 64.9-140.2 -76.1 129.9 -21.0 3.8 33.9 42 45 A K - 0 0 136 37,-1.3 37,-0.2 -2,-0.4 39,-0.1 -0.403 39.4 -74.7 -79.7 162.5 -23.7 5.6 31.9 43 46 A P - 0 0 115 0, 0.0 36,-0.9 0, 0.0 2,-0.3 -0.344 53.4-111.7 -59.2 142.3 -25.5 3.8 29.0 44 47 A L E -D 78 0B 23 34,-0.3 2,-0.6 141,-0.1 34,-0.2 -0.617 28.6-157.7 -76.8 132.7 -23.4 3.4 25.9 45 48 A S E +D 77 0B 32 32,-3.2 32,-2.4 -2,-0.3 2,-0.7 -0.930 13.1 179.2-118.2 108.2 -24.6 5.5 22.9 46 49 A V E -D 76 0B 33 -2,-0.6 2,-0.7 30,-0.2 30,-0.2 -0.928 5.7-179.1-107.7 107.0 -23.5 4.4 19.4 47 50 A S E +D 75 0B 35 28,-2.9 28,-2.2 -2,-0.7 3,-0.2 -0.792 22.5 144.8-114.5 88.5 -25.0 6.9 16.9 48 51 A Y > + 0 0 2 -2,-0.7 3,-1.3 26,-0.2 130,-0.3 0.207 34.4 110.7-109.3 12.9 -24.1 5.8 13.4 49 52 A D T 3 S+ 0 0 83 1,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.850 86.7 36.1 -55.4 -40.4 -27.3 6.8 11.5 50 53 A Q T 3 S+ 0 0 126 -3,-0.2 24,-0.3 23,-0.2 -1,-0.3 0.185 84.2 150.9-103.2 15.8 -25.7 9.7 9.6 51 54 A A < - 0 0 19 -3,-1.3 2,-0.6 22,-0.2 18,-0.1 -0.190 31.0-157.8 -53.1 132.7 -22.3 8.1 9.1 52 55 A T - 0 0 52 16,-0.3 16,-3.4 122,-0.1 2,-0.2 -0.856 6.3-166.8-120.7 94.4 -20.6 9.3 5.9 53 56 A S E -E 67 0B 1 -2,-0.6 121,-0.6 122,-0.3 14,-0.3 -0.494 7.2-178.1 -75.5 149.5 -17.9 6.9 4.6 54 57 A L E - 0 0 73 12,-3.2 118,-2.3 1,-0.4 2,-0.3 0.760 51.5 -31.1-115.3 -53.9 -15.6 8.2 1.9 55 58 A R E -EF 66 171B 86 11,-0.8 11,-2.9 116,-0.3 2,-0.4 -0.975 46.8-113.1-164.5 171.0 -13.2 5.5 0.8 56 59 A I E -EF 65 170B 0 114,-2.5 114,-2.0 -2,-0.3 2,-0.4 -0.963 28.6-167.6-121.3 132.8 -11.2 2.4 1.7 57 60 A L E -EF 64 169B 36 7,-2.4 7,-2.6 -2,-0.4 2,-0.8 -0.981 21.0-146.3-127.2 128.2 -7.3 2.3 1.8 58 61 A N E -E 63 0B 0 110,-2.8 109,-2.9 -2,-0.4 5,-0.2 -0.849 21.5-178.3 -84.6 111.4 -4.8 -0.6 1.9 59 62 A N - 0 0 25 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.247 51.6 -99.0-100.3 12.4 -2.1 1.1 4.0 60 63 A G S S+ 0 0 12 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.384 118.1 49.2 87.1 -3.4 0.3 -1.8 4.0 61 64 A H S S- 0 0 44 1,-0.6 2,-0.2 -58,-0.1 -1,-0.1 0.523 125.6 -25.3-130.8 -30.3 -0.7 -3.2 7.4 62 65 A A S S- 0 0 2 -5,-0.1 -3,-2.0 165,-0.1 -1,-0.6 -0.830 71.7 -89.8-154.0-165.7 -4.5 -3.3 7.2 63 66 A F E -E 58 0B 0 -2,-0.2 2,-0.5 -5,-0.2 29,-0.4 -0.992 31.8-152.3-119.4 137.1 -7.3 -1.6 5.4 64 67 A N E -E 57 0B 26 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.7 -0.903 7.2-155.6-106.1 129.1 -9.0 1.6 6.6 65 68 A V E -EG 56 90B 0 25,-2.7 25,-2.0 -2,-0.5 2,-0.3 -0.931 28.1-153.0 -95.2 117.5 -12.6 2.6 5.9 66 69 A E E -EG 55 89B 39 -11,-2.9 -12,-3.2 -2,-0.7 -11,-0.8 -0.704 8.9-157.4-101.1 147.2 -12.5 6.3 6.3 67 70 A F E -E 53 0B 7 21,-2.8 2,-0.7 -2,-0.3 -14,-0.3 -0.836 28.3-104.9-120.6 154.4 -15.3 8.6 7.2 68 71 A D + 0 0 49 -16,-3.4 -16,-0.3 -2,-0.3 6,-0.3 -0.728 40.0 172.3 -76.2 111.9 -16.1 12.3 6.8 69 72 A D + 0 0 42 -2,-0.7 -1,-0.1 1,-0.2 17,-0.1 0.094 45.6 105.8-112.0 20.9 -15.5 13.7 10.3 70 73 A S S S+ 0 0 81 2,-0.0 2,-0.3 56,-0.0 -1,-0.2 0.536 86.9 33.2 -79.1 -8.3 -15.9 17.4 9.5 71 74 A Q S S- 0 0 120 -3,-0.3 2,-1.0 3,-0.0 3,-0.2 -0.956 98.8 -90.7-138.4 160.9 -19.3 17.4 11.2 72 75 A D S S+ 0 0 89 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.640 77.6 118.2 -71.6 101.2 -21.0 15.6 14.1 73 76 A K + 0 0 42 -2,-1.0 2,-0.8 1,-0.3 -22,-0.2 0.360 65.8 33.8-125.5 -94.7 -22.5 12.6 12.4 74 77 A A S S+ 0 0 7 -6,-0.3 13,-2.8 -24,-0.3 2,-0.3 -0.598 83.5 170.5 -70.8 107.8 -21.3 9.1 13.5 75 78 A V E -DH 47 86B 13 -28,-2.2 -28,-2.9 -2,-0.8 2,-0.5 -0.923 32.7-152.0-129.8 152.5 -20.6 9.6 17.2 76 79 A L E +DH 46 85B 0 9,-2.9 9,-2.0 -2,-0.3 2,-0.3 -0.980 32.6 148.3-117.7 127.4 -19.8 7.5 20.3 77 80 A K E +D 45 0B 84 -32,-2.4 -32,-3.2 -2,-0.5 7,-0.1 -0.912 32.7 40.5-147.8 177.0 -20.9 8.8 23.7 78 81 A G E > S+D 44 0B 18 5,-0.4 3,-2.2 3,-0.3 -34,-0.3 -0.284 75.5 76.0 76.1-163.7 -22.0 7.6 27.1 79 82 A G T 3 S- 0 0 5 -36,-0.9 -37,-1.3 1,-0.3 -1,-0.2 -0.399 123.4 -18.7 58.5-130.1 -20.4 4.6 28.9 80 83 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.500 116.7 108.0 -84.2 -0.6 -17.1 5.6 30.3 81 84 A L < - 0 0 7 -3,-2.2 2,-0.5 -39,-0.1 -3,-0.3 -0.531 56.3-153.5 -89.7 140.4 -16.9 8.6 28.0 82 85 A D - 0 0 121 -2,-0.2 2,-0.1 53,-0.1 -1,-0.0 -0.951 68.1 -15.9-104.4 124.6 -17.2 12.3 28.8 83 86 A G S S- 0 0 52 -2,-0.5 -5,-0.4 38,-0.1 2,-0.4 -0.430 101.1 -35.2 84.6-154.1 -18.5 14.3 25.8 84 87 A T - 0 0 37 -2,-0.1 38,-2.8 -7,-0.1 2,-0.5 -0.913 41.9-165.4-121.0 133.4 -18.6 13.4 22.2 85 88 A Y E -HI 76 121B 5 -9,-2.0 -9,-2.9 -2,-0.4 2,-0.4 -0.980 16.3-141.7-120.6 127.2 -16.2 11.3 20.1 86 89 A R E -HI 75 120B 43 34,-2.8 34,-2.1 -2,-0.5 -11,-0.2 -0.754 17.6-118.0 -95.1 129.9 -16.4 11.3 16.3 87 90 A L E + I 0 119B 3 -13,-2.8 32,-0.3 -2,-0.4 -13,-0.2 -0.428 38.0 165.7 -61.7 125.7 -15.9 8.3 14.1 88 91 A I E - 0 0 36 30,-3.1 -21,-2.8 1,-0.4 2,-0.3 0.751 58.6 -24.0-110.0 -40.6 -12.9 8.8 11.8 89 92 A Q E -GI 66 118B 36 29,-1.1 29,-2.8 -23,-0.2 -1,-0.4 -0.982 49.0-143.1-161.5 159.6 -12.1 5.3 10.4 90 93 A F E +GI 65 117B 0 -25,-2.0 -25,-2.7 -2,-0.3 2,-0.3 -0.958 21.9 160.8-128.2 161.6 -12.4 1.6 11.0 91 94 A H E - I 0 116B 19 25,-1.7 25,-3.1 -2,-0.3 2,-0.3 -0.940 23.6-126.9-159.0 175.3 -10.1 -1.4 10.4 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 23,-0.2 -0.833 1.0-147.9-127.0 163.7 -9.6 -5.0 11.4 93 96 A H E + I 0 114B 2 21,-2.1 21,-2.4 -2,-0.3 2,-0.3 -0.994 32.0 169.6-126.5 134.7 -6.8 -7.2 12.7 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.8 -0.936 23.5-120.0-145.3 168.6 -6.9 -10.8 11.6 95 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.410 23.4-121.1-105.6 175.3 -5.1 -14.1 11.6 96 99 A S S S+ 0 0 34 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.606 105.3 30.6 -84.1 -16.0 -3.7 -16.6 9.1 97 100 A L S > S- 0 0 105 3,-0.3 3,-1.7 15,-0.1 -2,-0.2 -0.957 89.4-111.0-140.6 155.3 -5.9 -19.2 10.8 98 101 A D T 3 S+ 0 0 70 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.766 109.9 68.5 -60.2 -27.5 -9.3 -19.0 12.6 99 102 A G T 3 S+ 0 0 60 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.433 107.7 30.5 -74.8 0.5 -7.6 -19.7 16.0 100 103 A Q < + 0 0 60 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.3 -0.983 66.8 94.1-154.2 159.5 -5.8 -16.4 16.1 101 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.038 55.1 106.8 145.7 -32.1 -6.2 -12.8 14.9 102 105 A S - 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