==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 23-JUL-07 2QP6 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.D'AMBROSIO,G.DE SIMONE . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.0 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 . 59 22.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 26 10.1 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 . 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 2 2 0 2 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 0 176 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 77.1 13.3 -1.1 7.5 2 4 A H - 0 0 131 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.462 360.0 -94.1 -82.8 151.9 9.7 -0.1 8.3 3 5 A W + 0 0 38 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.281 62.1 135.6 -63.4 151.9 7.7 -1.6 11.2 4 6 A G - 0 0 11 5,-2.7 10,-0.1 2,-0.1 -1,-0.1 -0.752 64.1 -81.2-164.0-147.9 5.5 -4.6 10.4 5 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.193 83.4 108.7-124.9 15.2 4.5 -8.0 11.7 6 8 A G S > S- 0 0 40 4,-0.1 4,-1.6 1,-0.1 3,-0.4 -0.192 85.0 -92.2 -86.1-179.4 7.5 -10.1 10.5 7 9 A K T 4 S+ 0 0 178 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.823 123.8 34.9 -62.9 -33.3 10.3 -11.7 12.4 8 10 A H T 4 S+ 0 0 130 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.498 132.0 26.4-103.4 -2.8 12.7 -8.7 11.9 9 11 A N T 4 S+ 0 0 43 -3,-0.4 -5,-2.7 -6,-0.1 -2,-0.2 0.231 96.0 116.3-139.5 11.3 10.2 -5.8 12.1 10 12 A G S >X S- 0 0 2 -4,-1.6 3,-2.7 -5,-0.2 4,-1.1 0.099 84.4 -65.8 -74.6-172.7 7.4 -7.2 14.2 11 13 A P T 34 S+ 0 0 27 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.754 128.7 58.1 -44.4 -37.9 5.9 -6.4 17.7 12 14 A E T 34 S+ 0 0 143 1,-0.2 -5,-0.0 2,-0.1 -2,-0.0 0.590 109.8 45.8 -75.5 -7.5 9.1 -7.4 19.6 13 15 A H T X4 S+ 0 0 57 -3,-2.7 3,-1.8 1,-0.1 4,-0.5 0.656 87.3 87.1-104.2 -24.0 11.1 -4.8 17.6 14 16 A W G >X S+ 0 0 5 -4,-1.1 4,-2.6 1,-0.3 3,-0.7 0.760 74.1 70.6 -49.4 -35.3 8.8 -1.8 17.8 15 17 A H G 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 6,-0.1 0.769 87.4 66.8 -58.3 -26.5 10.1 -0.5 21.0 16 18 A K G <4 S+ 0 0 124 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.928 116.9 22.8 -62.6 -45.6 13.4 0.5 19.4 17 19 A D T <4 S+ 0 0 118 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.724 136.2 38.7 -91.0 -23.8 11.7 3.2 17.2 18 20 A F >< - 0 0 58 -4,-2.6 3,-2.5 1,-0.1 -1,-0.2 -0.707 65.7-179.5-129.2 79.7 8.7 3.6 19.6 19 21 A P G > S+ 0 0 98 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.718 76.1 75.7 -49.8 -27.2 10.0 3.4 23.2 20 22 A I G > S+ 0 0 54 1,-0.3 3,-2.6 179,-0.2 -5,-0.1 0.612 70.0 89.8 -64.8 -8.7 6.4 3.9 24.5 21 23 A A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.759 91.0 44.6 -58.1 -24.6 5.9 0.2 23.4 22 24 A K G < S+ 0 0 135 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.2 0.000 96.4 132.4-107.3 25.5 7.0 -0.7 26.9 23 25 A G S < S- 0 0 15 -3,-2.6 3,-0.4 1,-0.1 -3,-0.0 0.121 71.0-101.0 -69.4-175.1 4.8 2.0 28.4 24 26 A E S S+ 0 0 120 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.568 113.0 33.1 -87.7 -12.0 2.4 2.0 31.3 25 27 A R S S+ 0 0 46 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.304 79.5 156.2-142.0 56.9 -0.9 1.7 29.3 26 28 A Q - 0 0 2 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.505 32.3 -99.7 -85.7 152.1 -0.2 -0.3 26.2 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.880 78.5 39.5-125.0 157.4 -2.8 -2.3 24.2 28 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.590 66.0 177.2 -81.3 179.7 -4.0 -4.8 23.5 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.924 36.0 -99.5-139.8 162.9 -4.4 -6.7 26.8 30 32 A D E -a 106 0A 34 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.714 34.7-137.2 -83.1 135.3 -5.8 -10.0 28.0 31 33 A I E -a 107 0A 0 75,-3.1 77,-2.3 -2,-0.4 2,-1.1 -0.839 11.0-159.3 -98.3 104.6 -9.3 -9.5 29.5 32 34 A D >> - 0 0 65 -2,-0.9 4,-1.7 75,-0.2 3,-0.6 -0.757 5.3-162.7 -83.3 102.7 -9.5 -11.6 32.6 33 35 A T T 34 S+ 0 0 41 -2,-1.1 -1,-0.2 1,-0.2 222,-0.0 0.770 85.4 52.3 -59.7 -30.2 -13.3 -11.8 32.9 34 36 A H T 34 S+ 0 0 168 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.797 112.1 44.6 -79.0 -27.7 -13.2 -12.9 36.5 35 37 A T T <4 S+ 0 0 104 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.717 91.5 99.1 -86.6 -23.5 -11.0 -10.0 37.6 36 38 A A < - 0 0 17 -4,-1.7 2,-0.4 218,-0.1 218,-0.2 -0.377 68.1-143.0 -63.3 141.5 -12.9 -7.4 35.6 37 39 A K E -c 254 0B 140 216,-1.8 218,-2.6 -2,-0.0 2,-0.1 -0.922 12.7-114.8-117.4 136.7 -15.4 -5.6 37.9 38 40 A Y E -c 255 0B 87 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.428 31.1-151.4 -63.1 132.3 -18.9 -4.3 37.2 39 41 A D > - 0 0 32 216,-2.5 3,-1.4 -2,-0.1 -1,-0.1 -0.903 17.2-172.3-115.7 107.0 -18.9 -0.5 37.3 40 42 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.726 83.3 69.9 -66.2 -22.3 -22.1 1.2 38.3 41 43 A S T 3 S+ 0 0 80 2,-0.0 2,-0.3 40,-0.0 -2,-0.0 0.613 76.2 104.3 -72.3 -11.8 -20.6 4.6 37.5 42 44 A L < - 0 0 28 -3,-1.4 3,-0.1 213,-0.2 38,-0.0 -0.553 64.7-145.4 -74.2 131.8 -20.7 3.7 33.8 43 45 A K E -D 80 0B 109 37,-1.5 37,-0.7 -2,-0.3 39,-0.1 -0.492 40.0 -69.2 -90.9 164.1 -23.5 5.4 31.9 44 46 A P E - 0 0 115 0, 0.0 36,-0.6 0, 0.0 2,-0.3 -0.269 54.0-119.3 -55.0 136.0 -25.4 3.8 29.0 45 47 A L E -D 79 0B 24 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.614 27.0-157.8 -78.5 136.3 -23.2 3.4 25.9 46 48 A S E +D 78 0B 35 32,-3.3 32,-2.4 -2,-0.3 2,-0.6 -0.959 14.8 179.4-123.0 116.8 -24.5 5.2 22.8 47 49 A V E +D 77 0B 32 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.946 5.9 178.7-115.5 106.9 -23.5 4.2 19.3 48 50 A S E +D 76 0B 42 28,-2.8 28,-1.8 -2,-0.6 3,-0.2 -0.809 19.5 147.5-115.1 91.6 -25.2 6.5 16.8 49 51 A Y > + 0 0 3 -2,-0.7 3,-1.8 26,-0.2 130,-0.2 0.268 34.3 111.0-105.5 9.1 -24.1 5.5 13.2 50 52 A D T 3 S+ 0 0 85 1,-0.3 -1,-0.2 128,-0.1 24,-0.0 0.814 86.6 38.7 -55.0 -33.8 -27.3 6.4 11.3 51 53 A Q T 3 S+ 0 0 109 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.263 83.0 143.1-101.9 12.3 -25.7 9.3 9.5 52 54 A A < - 0 0 20 -3,-1.8 2,-0.5 1,-0.1 18,-0.1 -0.260 33.5-161.2 -55.2 133.2 -22.2 7.7 9.0 53 55 A T - 0 0 52 16,-0.3 16,-3.0 122,-0.1 2,-0.1 -0.894 1.3-159.4-124.4 102.3 -20.7 8.7 5.6 54 56 A S E -E 68 0B 0 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.465 10.3-178.0 -77.6 150.7 -18.0 6.5 4.3 55 57 A L E - 0 0 82 12,-3.1 118,-2.4 1,-0.4 2,-0.3 0.748 54.3 -28.1-114.4 -50.5 -15.6 7.9 1.7 56 58 A R E -EF 67 172B 78 11,-0.8 11,-2.9 116,-0.3 -1,-0.4 -0.984 47.0-118.0-163.7 170.4 -13.1 5.2 0.6 57 59 A I E -EF 66 171B 0 114,-2.7 114,-2.3 -2,-0.3 2,-0.4 -0.950 29.5-170.3-120.9 140.2 -11.2 2.1 1.5 58 60 A L E -EF 65 170B 31 7,-2.2 7,-2.5 -2,-0.4 2,-0.8 -0.990 26.5-141.8-138.7 139.5 -7.4 1.8 1.6 59 61 A N E -E 64 0B 0 110,-2.7 109,-2.8 -2,-0.4 5,-0.2 -0.872 24.6-179.1 -94.1 109.4 -4.7 -0.8 1.9 60 62 A N - 0 0 41 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.318 52.4 -96.6 -95.7 8.7 -2.2 1.0 4.1 61 63 A G S S+ 0 0 17 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.186 118.6 46.7 100.0 -21.5 0.4 -1.7 4.2 62 64 A H S S- 0 0 45 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.527 126.7 -26.5-125.9 -16.5 -0.6 -3.2 7.6 63 65 A A S S- 0 0 1 164,-0.1 -3,-2.0 165,-0.1 -2,-0.5 -0.894 73.2 -86.4-172.2-168.6 -4.4 -3.5 7.2 64 66 A F E -E 59 0B 0 29,-0.3 29,-0.5 -2,-0.3 2,-0.4 -0.985 32.2-149.6-124.9 136.9 -7.2 -1.8 5.3 65 67 A N E -E 58 0B 23 -7,-2.5 -7,-2.2 -2,-0.4 2,-0.8 -0.887 7.5-155.9-107.3 132.4 -9.1 1.3 6.4 66 68 A V E -EG 57 91B 0 25,-2.7 25,-1.6 -2,-0.4 2,-0.3 -0.938 30.1-153.4-102.1 110.0 -12.7 2.2 5.7 67 69 A E E -EG 56 90B 45 -11,-2.9 -12,-3.1 -2,-0.8 -11,-0.8 -0.634 9.0-156.2 -91.7 146.7 -12.6 6.0 6.0 68 70 A F E -E 54 0B 7 21,-2.6 2,-0.9 -14,-0.3 -14,-0.2 -0.852 27.5-108.8-120.1 153.4 -15.4 8.2 7.0 69 71 A D + 0 0 41 -16,-3.0 -16,-0.3 -2,-0.3 3,-0.3 -0.740 38.5 174.7 -79.8 109.6 -16.1 11.9 6.4 70 72 A D + 0 0 43 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 -0.057 46.2 106.6-108.0 30.8 -15.7 13.3 9.9 71 73 A S S S+ 0 0 83 2,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.594 81.2 42.6 -83.4 -12.4 -16.1 17.0 9.0 72 74 A Q S S- 0 0 108 -3,-0.3 2,-1.8 2,-0.0 0, 0.0 -0.882 102.6 -84.7-131.7 163.9 -19.5 17.1 10.5 73 75 A D S S+ 0 0 117 -2,-0.3 2,-0.3 14,-0.1 3,-0.1 -0.486 80.6 122.1 -70.5 84.8 -21.3 15.9 13.7 74 76 A K + 0 0 53 -2,-1.8 14,-0.4 1,-0.3 -25,-0.1 -0.949 54.4 23.3-142.7 160.2 -22.2 12.4 12.4 75 77 A A S S+ 0 0 6 -2,-0.3 13,-2.9 1,-0.2 2,-0.3 0.950 79.1 178.8 44.2 81.8 -21.4 8.8 13.5 76 78 A V E -DH 48 87B 19 -28,-1.8 -28,-2.8 11,-0.2 2,-0.4 -0.867 27.8-155.1-120.1 150.3 -20.8 9.4 17.2 77 79 A L E +DH 47 86B 0 9,-2.9 9,-2.5 -2,-0.3 2,-0.3 -0.976 31.3 147.0-119.4 130.4 -19.9 7.3 20.2 78 80 A K E +DH 46 85B 96 -32,-2.4 -32,-3.3 -2,-0.4 7,-0.1 -0.909 31.2 44.4-151.5 177.4 -20.8 8.6 23.6 79 81 A G E > S+D 45 0B 19 5,-0.5 3,-2.1 3,-0.3 -34,-0.3 -0.322 74.0 76.6 78.6-163.5 -21.8 7.4 27.1 80 82 A G E 3 S-D 43 0B 0 -37,-0.7 -37,-1.5 -36,-0.6 -1,-0.2 -0.381 123.0 -20.0 59.8-131.2 -20.3 4.5 28.9 81 83 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.547 115.2 110.4 -84.9 -6.4 -16.9 5.5 30.3 82 84 A L < - 0 0 15 -3,-2.1 2,-0.6 -39,-0.1 -3,-0.3 -0.439 56.9-152.1 -79.0 141.7 -16.7 8.4 27.9 83 85 A D - 0 0 108 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.950 69.9 -14.3-108.7 117.1 -16.9 12.1 28.7 84 86 A G S S- 0 0 41 -2,-0.6 -5,-0.5 39,-0.1 2,-0.4 -0.486 101.7 -41.8 91.5-161.4 -18.3 14.0 25.8 85 87 A T E -H 78 0B 49 -2,-0.2 38,-2.6 -7,-0.1 2,-0.4 -0.902 42.4-160.3-116.1 138.7 -18.7 12.9 22.2 86 88 A Y E -HI 77 122B 3 -9,-2.5 -9,-2.9 -2,-0.4 2,-0.4 -0.950 14.5-141.4-116.8 135.7 -16.3 11.0 20.0 87 89 A R E -HI 76 121B 39 34,-2.9 34,-2.1 -2,-0.4 -11,-0.2 -0.833 16.7-118.5-105.1 131.3 -16.5 11.0 16.2 88 90 A L E + I 0 120B 2 -13,-2.9 32,-0.3 -2,-0.4 -14,-0.1 -0.416 37.4 163.2 -65.5 128.9 -16.0 8.0 13.9 89 91 A I E - 0 0 36 30,-2.7 -21,-2.6 1,-0.4 2,-0.3 0.674 61.0 -23.2-116.5 -33.0 -13.1 8.5 11.5 90 92 A Q E -GI 67 119B 34 29,-1.2 29,-2.9 -23,-0.2 -1,-0.4 -0.986 47.4-146.1-170.3 163.0 -12.3 5.0 10.3 91 93 A F E +GI 66 118B 0 -25,-1.6 -25,-2.7 -2,-0.3 2,-0.3 -0.968 21.5 161.6-137.6 155.3 -12.5 1.3 11.0 92 94 A H E - I 0 117B 22 25,-1.7 25,-3.1 -2,-0.3 2,-0.3 -0.932 24.2-123.7-158.3 175.5 -10.2 -1.6 10.2 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.830 0.6-148.6-128.9 167.4 -9.5 -5.2 11.3 94 96 A H E + I 0 115B 1 21,-1.6 21,-2.2 -2,-0.3 2,-0.3 -0.990 31.8 167.8-131.7 133.6 -6.7 -7.4 12.6 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.9 -0.934 24.0-119.8-146.3 170.2 -6.8 -11.1 11.6 96 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.7 3,-0.1 -0.429 25.1-117.2-107.7-178.8 -4.8 -14.3 11.5 97 99 A S S S+ 0 0 42 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.560 106.0 32.6 -89.0 -12.4 -3.5 -16.8 9.0 98 100 A L S > S- 0 0 108 3,-0.3 3,-1.6 15,-0.1 -2,-0.2 -0.950 88.6-112.7-139.8 156.7 -5.7 -19.4 10.7 99 101 A D T 3 S+ 0 0 76 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.759 109.5 70.9 -63.0 -24.7 -9.1 -19.2 12.4 100 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.475 107.1 24.4 -73.6 -1.9 -7.5 -20.0 15.8 101 103 A Q < + 0 0 55 -3,-1.6 -5,-0.7 12,-0.1 -3,-0.3 -0.965 65.5 101.3-153.9 165.8 -5.8 -16.6 16.0 102 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.044 53.3 106.0 145.1 -33.2 -6.1 -13.0 14.8 103 105 A S - 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