==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-FEB-05 2BJE . COMPND 2 MOLECULE: ACYLPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR C.ROSANO,S.ZUCCOTTI . 360 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 30.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 4 1.1 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-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 . 0 0.0 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 . 15 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 0 0 0 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 4 0 4 3 1 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 0 0 4 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 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 5 A M 0 0 163 0, 0.0 50,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-150.7 -1.0 17.6 11.8 2 6 A L E +A 50 0A 56 48,-0.2 78,-0.6 49,-0.1 2,-0.3 -0.656 360.0 163.4 -82.5 135.2 2.0 15.3 11.0 3 7 A K E -AB 49 79A 69 46,-2.8 46,-2.2 -2,-0.4 2,-0.4 -0.861 36.1-121.9-137.0 171.8 2.3 12.2 13.1 4 8 A R E -AB 48 78A 17 74,-2.6 74,-2.8 -2,-0.3 2,-0.4 -0.899 25.1-161.3-110.9 140.4 4.0 8.9 13.1 5 9 A M E -AB 47 77A 0 42,-3.3 42,-2.6 -2,-0.4 2,-0.5 -0.989 3.1-160.3-121.3 135.8 1.9 5.8 13.2 6 10 A Y E +AB 46 76A 54 70,-2.5 70,-2.3 -2,-0.4 2,-0.4 -0.984 14.7 178.3-107.6 131.4 3.2 2.4 14.3 7 11 A A E -AB 45 75A 0 38,-3.1 38,-3.5 -2,-0.5 2,-0.5 -0.990 17.1-162.0-133.1 135.8 1.2 -0.6 13.3 8 12 A R E -AB 44 74A 66 66,-2.8 66,-2.2 -2,-0.4 2,-0.5 -0.950 17.3-157.8-109.8 131.0 1.8 -4.3 13.9 9 13 A V E -AB 43 73A 0 34,-3.5 34,-1.9 -2,-0.5 2,-0.3 -0.886 8.1-170.7-117.1 129.2 -0.1 -6.5 11.5 10 14 A Y E + B 0 72A 70 62,-3.2 61,-2.6 -2,-0.5 62,-1.4 -0.812 42.5 62.7-115.0 150.5 -0.9 -10.2 12.2 11 15 A G E S- B 0 70A 25 -2,-0.3 2,-1.2 59,-0.3 59,-0.2 -0.951 106.2 -25.4 144.8-155.8 -2.4 -12.8 9.9 12 16 A L E S+ B 0 69A 97 57,-1.8 57,-2.2 -2,-0.3 30,-0.1 -0.831 87.0 133.7 -80.4 88.8 -1.1 -14.3 6.7 13 17 A V + 0 0 3 -2,-1.2 2,-0.4 28,-0.5 3,-0.2 0.348 37.6 80.5-125.7 0.9 1.0 -11.3 5.8 14 18 A Q S S+ 0 0 62 -3,-0.2 29,-0.0 1,-0.1 -1,-0.0 -0.960 98.8 14.6-104.8 143.8 4.5 -12.5 4.8 15 19 A G S S+ 0 0 84 -2,-0.4 -1,-0.1 -3,-0.0 -3,-0.0 0.681 105.3 93.9 80.6 8.8 5.2 -13.8 1.3 16 20 A V S S- 0 0 26 -3,-0.2 51,-0.6 49,-0.0 52,-0.2 0.156 104.0 -93.7-131.2 22.0 1.9 -12.4 0.0 17 21 A G S > S+ 0 0 33 50,-0.1 4,-2.2 49,-0.1 5,-0.1 0.517 84.8 127.3 81.3 4.6 2.4 -9.0 -1.5 18 22 A F H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.923 70.1 47.3 -62.3 -39.6 1.6 -7.2 1.8 19 23 A R H > S+ 0 0 74 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.931 115.1 46.6 -75.1 -36.2 4.7 -5.0 2.1 20 24 A K H > S+ 0 0 143 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.851 111.2 53.7 -70.2 -41.3 4.5 -3.9 -1.5 21 25 A F H X S+ 0 0 24 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.932 110.1 45.9 -55.5 -49.7 0.8 -3.2 -1.0 22 26 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.936 112.4 51.7 -55.3 -51.9 1.5 -1.0 1.9 23 27 A Q H X S+ 0 0 45 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.873 109.5 48.1 -53.9 -52.9 4.2 0.7 0.1 24 28 A I H X S+ 0 0 31 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.933 115.0 45.4 -59.5 -41.8 2.1 1.5 -3.0 25 29 A H H X S+ 0 0 36 -4,-2.2 4,-1.2 -5,-0.2 6,-0.2 0.896 111.2 53.2 -70.8 -32.0 -0.8 2.8 -0.9 26 30 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.5 -5,-0.2 3,-0.6 0.951 109.6 49.5 -64.4 -43.4 1.6 4.8 1.3 27 31 A I H ><5S+ 0 0 38 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.926 106.5 54.2 -61.5 -41.1 3.1 6.4 -1.9 28 32 A R H 3<5S+ 0 0 107 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.788 113.3 43.6 -65.8 -30.6 -0.3 7.3 -3.2 29 33 A L T <<5S- 0 0 55 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.278 115.2-114.3 -92.1 7.7 -1.1 9.1 0.1 30 34 A G T < 5 + 0 0 56 -3,-1.8 2,-0.2 -4,-0.2 -3,-0.2 0.687 65.6 150.5 60.9 28.4 2.3 10.8 0.2 31 35 A I < - 0 0 3 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.585 29.9-157.7 -94.1 143.0 3.2 8.8 3.4 32 36 A K E +C 48 0A 80 16,-2.2 16,-2.7 -2,-0.2 2,-0.4 -0.758 43.5 79.2-117.5 166.3 6.8 7.9 4.2 33 37 A G E -Cd 47 87A 0 53,-2.6 55,-2.3 -2,-0.3 2,-0.3 -0.999 65.1 -91.5 139.9-155.4 8.1 5.1 6.5 34 38 A Y E -Cd 46 88A 18 12,-2.7 12,-3.2 -2,-0.4 2,-0.4 -0.984 9.1-136.5-158.3 170.3 8.5 1.4 6.0 35 39 A A E -Cd 45 89A 0 53,-1.6 55,-2.8 -2,-0.3 2,-0.4 -0.999 27.9-174.8-131.1 139.7 7.1 -2.0 6.3 36 40 A K E -C 44 0A 9 8,-3.0 8,-2.5 -2,-0.4 2,-0.3 -0.970 26.1-121.0-139.8 136.9 9.1 -4.8 7.6 37 41 A N E -C 43 0A 45 53,-1.8 6,-0.2 -2,-0.4 5,-0.1 -0.575 30.3-150.7 -70.1 141.2 8.8 -8.5 8.1 38 42 A L > - 0 0 12 4,-2.8 3,-1.8 -2,-0.3 207,-0.1 -0.734 25.5-109.1-108.2 157.0 9.2 -9.6 11.7 39 43 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.632 113.6 58.9 -56.6 -18.9 10.4 -13.0 12.9 40 44 A D T 3 S- 0 0 95 2,-0.0 3,-0.1 1,-0.0 -3,-0.0 0.542 123.3 -97.3 -93.1 6.7 7.0 -14.2 14.2 41 45 A G S < S+ 0 0 27 -3,-1.8 -28,-0.5 1,-0.4 -30,-0.1 0.192 89.6 120.7 87.2 2.5 5.4 -13.9 10.7 42 46 A S - 0 0 2 -32,-0.1 -4,-2.8 -30,-0.1 2,-0.4 -0.159 56.3-133.8 -89.2 164.9 3.9 -10.4 11.6 43 47 A V E -AC 9 37A 0 -34,-1.9 -34,-3.5 -6,-0.2 2,-0.5 -0.981 9.2-150.0-128.0 129.4 4.7 -7.2 9.7 44 48 A E E -AC 8 36A 15 -8,-2.5 -8,-3.0 -2,-0.4 2,-0.5 -0.933 9.7-165.6 -99.0 132.9 5.5 -3.9 11.2 45 49 A V E -AC 7 35A 0 -38,-3.5 -38,-3.1 -2,-0.5 2,-0.5 -0.989 5.8-172.4-118.8 125.6 4.6 -0.7 9.5 46 50 A V E +AC 6 34A 2 -12,-3.2 -12,-2.7 -2,-0.5 2,-0.4 -0.995 16.9 176.1-111.6 122.8 6.0 2.6 10.5 47 51 A A E -AC 5 33A 0 -42,-2.6 -42,-3.3 -2,-0.5 2,-0.4 -0.999 16.8-168.6-132.2 138.9 4.4 5.5 8.7 48 52 A E E +AC 4 32A 4 -16,-2.7 -16,-2.2 -2,-0.4 2,-0.3 -0.990 39.7 93.6-125.5 141.9 4.7 9.2 9.0 49 53 A G E S-A 3 0A 6 -46,-2.2 -46,-2.8 -2,-0.4 2,-0.2 -0.969 77.3 -33.3 163.3-179.0 2.3 11.6 7.3 50 54 A Y E > -A 2 0A 136 -2,-0.3 4,-2.7 -48,-0.2 5,-0.2 -0.505 59.0-117.5 -68.4 150.4 -0.8 13.6 8.0 51 55 A E H > S+ 0 0 91 -50,-1.6 4,-2.7 1,-0.2 5,-0.2 0.879 113.4 51.3 -61.2 -41.3 -3.2 12.0 10.4 52 56 A E H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.947 111.8 47.1 -66.9 -33.5 -6.0 11.8 7.9 53 57 A A H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.943 111.1 52.2 -71.2 -37.6 -3.7 10.1 5.4 54 58 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.3 -1,-0.2 0.920 108.3 51.7 -68.6 -32.5 -2.4 7.8 8.1 55 59 A S H X S+ 0 0 53 -4,-2.7 4,-1.8 1,-0.2 -1,-0.3 0.880 109.2 49.2 -70.3 -36.3 -6.0 6.9 8.8 56 60 A K H X S+ 0 0 91 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.880 111.2 50.2 -67.1 -40.2 -6.7 6.1 5.2 57 61 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.912 107.3 53.7 -64.4 -40.6 -3.6 3.9 5.0 58 62 A L H X S+ 0 0 8 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.921 105.0 54.5 -65.2 -34.4 -4.6 2.1 8.1 59 63 A E H X S+ 0 0 145 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.962 111.6 45.5 -62.1 -40.4 -8.0 1.3 6.4 60 64 A R H X S+ 0 0 109 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.877 110.0 53.7 -62.8 -42.9 -6.1 -0.2 3.5 61 65 A I H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.941 104.5 54.8 -61.7 -39.8 -3.8 -2.1 5.8 62 66 A K H < S+ 0 0 112 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.818 114.1 45.0 -65.2 -16.4 -6.8 -3.6 7.6 63 67 A Q H < S- 0 0 105 -4,-0.9 7,-0.4 -5,-0.2 -2,-0.2 0.943 90.7-176.2 -92.2 -55.2 -7.8 -4.7 4.1 64 68 A G < - 0 0 4 -4,-3.0 -46,-0.1 5,-0.1 -3,-0.1 0.182 33.8 -60.1 81.1 164.9 -4.6 -6.1 2.6 65 69 A P > - 0 0 14 0, 0.0 3,-1.7 0, 0.0 -47,-0.1 -0.219 61.5 -90.6 -74.5 168.3 -3.8 -7.4 -0.9 66 70 A P T 3 S+ 0 0 138 0, 0.0 -49,-0.1 0, 0.0 -2,-0.0 0.705 123.0 47.5 -54.1 -35.9 -5.6 -10.4 -2.4 67 71 A A T 3 S+ 0 0 62 -51,-0.6 2,-0.1 -54,-0.0 -50,-0.1 0.566 100.6 88.0 -85.3 -7.2 -3.3 -13.1 -1.2 68 72 A A < - 0 0 20 -3,-1.7 2,-0.3 -52,-0.2 -55,-0.2 -0.466 58.2-156.5 -92.3 163.5 -3.2 -11.8 2.4 69 73 A E E -B 12 0A 116 -57,-2.2 -57,-1.8 -2,-0.1 2,-0.6 -0.823 12.1-164.5-134.9 89.8 -5.3 -12.4 5.4 70 74 A V E +B 11 0A 23 -7,-0.4 -59,-0.3 -2,-0.3 3,-0.1 -0.722 17.0 166.6 -79.5 110.2 -5.0 -9.5 7.8 71 75 A E E + 0 0 136 -61,-2.6 2,-0.3 -2,-0.6 -60,-0.2 0.656 62.1 10.6 -96.7 -29.4 -6.5 -10.6 11.2 72 76 A K E -B 10 0A 112 -62,-1.4 -62,-3.2 2,-0.0 2,-0.4 -0.932 50.7-169.7-155.8 130.1 -5.3 -7.9 13.6 73 77 A V E -B 9 0A 20 -2,-0.3 2,-0.5 -64,-0.2 -64,-0.2 -0.966 7.9-170.3-121.8 114.3 -3.7 -4.5 13.4 74 78 A D E +B 8 0A 69 -66,-2.2 -66,-2.8 -2,-0.4 2,-0.3 -0.893 23.4 169.8-101.5 120.5 -2.5 -3.0 16.7 75 79 A Y E -B 7 0A 106 -2,-0.5 2,-0.3 -68,-0.2 -68,-0.2 -0.983 20.9-178.9-139.5 155.5 -1.6 0.6 16.1 76 80 A S E -B 6 0A 66 -70,-2.3 -70,-2.5 -2,-0.3 2,-0.3 -0.946 18.9-134.4-140.6 169.7 -0.6 3.8 17.8 77 81 A F E +B 5 0A 64 -2,-0.3 2,-0.3 -72,-0.2 -72,-0.2 -0.870 29.9 159.5-122.3 152.5 0.2 7.3 16.9 78 82 A S E -B 4 0A 46 -74,-2.8 -74,-2.6 -2,-0.3 2,-0.1 -0.888 44.3 -40.7-160.9-169.3 3.0 9.3 18.2 79 83 A E E -B 3 0A 158 -2,-0.3 2,-0.2 -76,-0.2 -76,-0.2 -0.341 57.2-113.5 -69.4 145.8 5.2 12.3 17.5 80 84 A Y + 0 0 94 -78,-0.6 -1,-0.1 1,-0.2 -76,-0.1 -0.544 33.6 177.7 -73.1 135.8 6.4 12.9 14.0 81 85 A K - 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