==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-AUG-11 3ZWU . COMPND 2 MOLECULE: ALKALINE PHOSPHATASE PHOX; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR S.C.YONG,P.ROVERSI,J.E.D.LILLINGTON,O.B.ZELDIN,E.F.GARMAN,S. . 1160 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 711 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 312 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 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 . 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 . 86 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 4 2 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 . 11 4 2 16 10 6 6 2 0 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 . 2 0 2 4 2 0 0 2 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 9 A R 0 0 195 0, 0.0 578,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-170.0 -11.1 -33.2 8.6 2 10 A L + 0 0 40 1,-0.1 2,-0.9 576,-0.1 478,-0.1 0.783 360.0 74.9 -83.9 -33.1 -10.0 -29.7 9.9 3 11 A L + 0 0 0 1,-0.1 575,-0.2 575,-0.1 -1,-0.1 -0.769 51.5 167.1 -90.1 105.1 -11.6 -29.8 13.4 4 12 A G + 0 0 11 573,-2.8 576,-0.4 -2,-0.9 2,-0.3 0.304 52.8 67.8-102.2 8.5 -9.4 -32.1 15.5 5 13 A F S S- 0 0 6 572,-0.3 2,-0.3 574,-0.1 574,-0.1 -0.887 83.7-107.9-126.7 156.3 -10.8 -31.2 19.0 6 14 A D - 0 0 137 -2,-0.3 14,-0.1 14,-0.1 -2,-0.1 -0.690 45.3 -99.4 -85.6 134.9 -14.2 -31.8 20.7 7 15 A S - 0 0 44 -2,-0.3 509,-0.2 1,-0.1 -1,-0.1 -0.293 42.7-135.7 -54.5 126.1 -16.4 -28.7 21.2 8 16 A I - 0 0 15 507,-2.6 507,-0.2 1,-0.1 509,-0.1 -0.514 19.6-101.3 -85.1 157.4 -16.0 -27.4 24.8 9 17 A P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 455,-0.1 -0.325 41.8 -96.3 -72.2 160.2 -18.9 -26.3 27.1 10 18 A A - 0 0 35 487,-0.2 2,-0.3 454,-0.1 489,-0.2 -0.376 47.0-159.1 -68.3 153.6 -19.6 -22.6 27.7 11 19 A A - 0 0 19 487,-0.3 489,-3.1 489,-0.2 508,-0.1 -0.962 30.9-168.5-141.8 154.4 -18.1 -21.3 30.9 12 20 A T + 0 0 76 -2,-0.3 -1,-0.1 487,-0.2 509,-0.1 0.261 53.2 119.4-122.2 5.6 -18.5 -18.4 33.3 13 21 A T S S- 0 0 69 1,-0.1 2,-1.3 507,-0.1 4,-0.1 -0.294 74.8-114.1 -75.8 160.8 -15.2 -18.8 35.3 14 22 A D S S+ 0 0 25 506,-0.2 2,-0.2 2,-0.1 537,-0.2 -0.373 89.9 75.5 -89.3 54.8 -12.5 -16.1 35.6 15 23 A T S S- 0 0 60 -2,-1.3 2,-0.5 504,-0.3 -4,-0.0 -0.854 90.4 -87.0-148.5-179.9 -10.1 -18.3 33.7 16 24 A I - 0 0 25 -2,-0.2 2,-0.4 503,-0.1 503,-0.2 -0.914 39.1-162.2 -98.6 120.9 -9.1 -19.7 30.2 17 25 A S B +A 518 0A 30 501,-2.4 501,-1.8 -2,-0.5 -9,-0.1 -0.900 17.8 167.4-105.6 134.0 -11.1 -22.9 29.4 18 26 A L - 0 0 33 -2,-0.4 499,-0.2 499,-0.2 3,-0.1 -0.842 36.8 -85.2-137.1 171.7 -9.7 -25.1 26.6 19 27 A P > - 0 0 10 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.261 65.2 -67.8 -75.1 171.5 -10.2 -28.6 25.1 20 28 A K T 3 S+ 0 0 202 1,-0.2 -14,-0.1 -14,-0.1 3,-0.1 -0.303 122.5 22.4 -57.9 135.8 -8.4 -31.7 26.5 21 29 A G T 3 S+ 0 0 19 1,-0.3 550,-3.1 -3,-0.1 551,-0.4 0.519 99.1 113.0 84.2 6.8 -4.7 -31.6 25.8 22 30 A Y E < -E 570 0B 13 -3,-1.6 2,-0.3 548,-0.3 -1,-0.3 -0.848 41.6-174.0-112.3 150.5 -4.4 -27.8 25.4 23 31 A K E -E 569 0B 72 546,-2.6 546,-2.2 -2,-0.3 2,-0.3 -0.932 9.5-148.5-139.3 158.1 -2.7 -25.3 27.7 24 32 A S E -E 568 0B 50 -2,-0.3 2,-0.3 544,-0.2 544,-0.2 -0.951 11.2-178.9-129.1 150.4 -2.4 -21.5 28.0 25 33 A S E -E 567 0B 63 542,-1.4 542,-3.0 -2,-0.3 2,-0.5 -0.986 34.8-108.4-145.4 146.2 0.3 -19.2 29.2 26 34 A V E -E 566 0B 58 -2,-0.3 540,-0.2 540,-0.2 3,-0.1 -0.682 28.3-176.8 -76.9 121.3 0.5 -15.4 29.5 27 35 A L E - 0 0 16 538,-2.9 98,-0.6 -2,-0.5 2,-0.3 0.920 69.2 -21.5 -79.6 -51.4 2.9 -14.0 26.8 28 36 A I E -E 565 0B 4 537,-1.2 537,-2.6 96,-0.1 -1,-0.4 -0.975 61.1-151.8-158.6 150.2 2.6 -10.4 28.0 29 37 A S E > -E 564 0B 9 -2,-0.3 3,-2.0 535,-0.2 535,-0.2 -0.908 39.7 -77.8-126.1 156.4 0.2 -8.1 29.9 30 38 A W T 3 S+ 0 0 8 533,-2.7 27,-0.2 -2,-0.3 28,-0.1 -0.208 117.7 28.1 -45.9 130.5 -0.7 -4.5 30.0 31 39 A G T 3 S+ 0 0 0 25,-2.7 -1,-0.2 1,-0.3 26,-0.1 0.265 78.9 145.1 96.3 -7.7 2.0 -2.5 31.9 32 40 A Q < - 0 0 54 -3,-2.0 24,-2.9 25,-0.2 -1,-0.3 -0.472 53.8-121.0 -63.5 122.7 5.0 -4.8 31.1 33 41 A P B -H 55 0C 9 0, 0.0 22,-0.3 0, 0.0 -1,-0.1 -0.428 21.0-160.2 -64.6 138.1 8.1 -2.7 30.7 34 42 A L + 0 0 0 20,-2.4 94,-2.5 93,-0.1 95,-0.3 0.752 62.9 61.2 -90.1 -27.9 9.6 -3.3 27.2 35 43 A H S > S- 0 0 68 19,-0.5 3,-2.1 92,-0.2 92,-0.1 -0.615 94.9 -83.1-106.1 162.1 13.2 -2.1 27.7 36 44 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.368 118.4 9.4 -61.3 133.9 16.1 -3.1 29.8 37 45 A N T 3 S+ 0 0 152 1,-0.2 -1,-0.3 -4,-0.1 3,-0.1 0.604 97.5 162.4 66.7 17.8 15.8 -1.5 33.3 38 46 A G < - 0 0 22 -3,-2.1 2,-0.2 1,-0.1 -1,-0.2 -0.188 48.6 -83.1 -67.7 158.9 12.3 -0.4 32.4 39 47 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.438 46.6-121.9 -68.0 126.9 9.7 0.6 35.0 40 48 A A - 0 0 80 -2,-0.2 -8,-0.1 1,-0.1 2,-0.0 -0.310 36.3 -90.4 -65.4 149.4 7.9 -2.3 36.6 41 49 A F - 0 0 39 1,-0.1 -1,-0.1 -8,-0.1 -9,-0.1 -0.382 37.7-147.3 -59.6 136.0 4.1 -2.4 36.4 42 50 A D > - 0 0 62 1,-0.1 3,-1.9 -3,-0.1 5,-0.5 -0.927 9.4-165.6-112.2 101.9 2.5 -0.6 39.4 43 51 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.667 84.0 71.2 -62.0 -16.8 -0.8 -2.3 40.4 44 52 A S T 3 S- 0 0 60 1,-0.1 45,-0.0 516,-0.0 -2,-0.0 0.575 108.7-119.6 -73.1 -13.1 -1.6 0.8 42.6 45 53 A G S < S+ 0 0 4 -3,-1.9 47,-0.1 45,-0.1 -1,-0.1 0.378 83.1 118.1 87.8 -0.7 -2.2 2.9 39.4 46 54 A N + 0 0 80 44,-0.2 44,-0.1 45,-0.1 43,-0.0 0.385 36.4 123.9 -82.6 7.0 0.6 5.3 40.5 47 55 A G - 0 0 24 -5,-0.5 2,-0.1 42,-0.2 -6,-0.1 -0.320 63.1-117.5 -64.1 146.7 2.7 4.6 37.4 48 56 A T > - 0 0 53 1,-0.1 4,-2.1 673,-0.0 5,-0.1 -0.385 13.8-115.1 -84.2 167.8 3.5 7.7 35.4 49 57 A A H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.917 118.9 55.8 -64.3 -41.9 2.5 8.6 31.8 50 58 A A H 4 S+ 0 0 34 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.872 107.5 48.7 -58.2 -39.4 6.2 8.5 30.9 51 59 A A H >4 S+ 0 0 11 1,-0.2 3,-1.8 2,-0.2 -1,-0.2 0.923 108.0 54.0 -67.5 -41.3 6.4 4.9 32.2 52 60 A Q H >< S+ 0 0 6 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.834 99.4 62.7 -62.6 -30.4 3.3 3.9 30.3 53 61 A E T 3< S+ 0 0 16 -4,-1.9 -1,-0.3 1,-0.3 81,-0.2 0.650 110.9 38.7 -67.4 -16.3 4.9 5.2 27.1 54 62 A V T < S+ 0 0 46 -3,-1.8 -20,-2.4 -4,-0.4 -19,-0.5 0.102 107.6 81.0-118.2 18.3 7.7 2.5 27.6 55 63 A Q B < S-H 33 0C 8 -3,-1.4 -23,-0.1 -22,-0.3 -25,-0.1 -0.904 96.6 -82.6-122.4 154.6 5.3 -0.3 28.8 56 64 A F - 0 0 0 -24,-2.9 -25,-2.7 -2,-0.3 -2,-0.1 -0.252 59.5-115.1 -53.3 131.7 3.0 -2.7 26.9 57 65 A G - 0 0 0 -27,-0.2 3,-0.3 22,-0.2 -25,-0.2 0.011 29.5 -94.1 -70.0 177.6 -0.2 -0.7 26.2 58 66 A D S S+ 0 0 0 50,-1.7 24,-0.2 1,-0.2 25,-0.2 -0.376 92.3 18.4 -91.1 167.2 -3.7 -1.4 27.5 59 67 A N S S- 0 0 0 22,-0.2 23,-2.0 23,-0.1 24,-0.3 0.811 80.2-145.8 37.1 61.9 -6.6 -3.4 26.0 60 68 A N E +I 81 0D 0 -3,-0.3 21,-0.3 481,-0.2 504,-0.1 -0.184 31.9 158.4 -52.7 140.2 -4.5 -5.4 23.5 61 69 A D E + 0 0 3 19,-2.3 111,-0.2 1,-0.5 110,-0.1 -0.005 42.6 19.5-137.5-125.0 -6.5 -6.1 20.3 62 70 A G E + 0 0 0 109,-2.5 18,-3.4 465,-0.2 -1,-0.5 -0.190 66.7 171.2 -58.1 150.1 -5.5 -6.9 16.7 63 71 A M E -I 79 0D 1 465,-0.3 465,-0.5 16,-0.2 2,-0.3 -0.991 21.5-158.9-159.0 154.3 -2.0 -8.3 16.2 64 72 A S E -I 78 0D 8 14,-2.0 14,-2.3 -2,-0.3 2,-0.4 -0.968 14.4-137.8-135.2 151.5 0.3 -10.0 13.6 65 73 A L E -I 77 0D 8 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.895 15.9-160.4-109.2 139.0 3.4 -12.1 13.9 66 74 A F E -I 76 0D 6 10,-3.3 10,-2.6 -2,-0.4 2,-0.1 -0.976 15.3-127.9-123.1 132.4 6.5 -11.5 11.6 67 75 A E E -I 75 0D 119 -2,-0.4 8,-0.2 8,-0.2 5,-0.1 -0.451 16.7-127.5 -75.7 151.1 9.2 -14.1 10.9 68 76 A F E > -I 71 0D 17 6,-1.0 3,-1.9 3,-0.6 6,-0.2 -0.873 32.0-113.1 -96.7 124.6 12.9 -13.2 11.3 69 77 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.0 0, 0.0 3,-0.0 -0.358 98.2 5.6 -59.5 128.8 14.9 -14.1 8.2 70 78 A G T 3 S+ 0 0 88 -2,-0.1 2,-0.3 1,-0.0 -3,-0.0 0.430 115.2 86.1 80.6 1.2 17.3 -17.0 8.9 71 79 A E E X -I 68 0D 95 -3,-1.9 3,-1.2 3,-0.1 -3,-0.6 -0.822 45.1-179.6-140.8 100.0 16.1 -17.7 12.5 72 80 A K E 3 S+ 0 0 164 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.661 83.9 59.8 -69.9 -19.3 13.1 -20.0 13.2 73 81 A N E 3 S+ 0 0 73 44,-0.1 45,-2.5 45,-0.0 2,-0.3 0.265 99.8 65.6 -95.2 13.3 13.3 -19.4 17.0 74 82 A R E < + J 0 117D 54 -3,-1.2 -6,-1.0 43,-0.2 2,-0.3 -0.962 55.2 158.3-130.3 151.1 12.7 -15.6 16.8 75 83 A A E -IJ 67 116D 0 41,-2.1 41,-2.8 -2,-0.3 2,-0.4 -0.974 30.1-128.8-161.6 161.1 9.8 -13.5 15.7 76 84 A L E -IJ 66 115D 0 -10,-2.6 -10,-3.3 -2,-0.3 2,-0.4 -0.910 17.2-160.0-112.9 146.8 8.3 -10.0 16.1 77 85 A M E -IJ 65 114D 0 37,-2.8 37,-2.8 -2,-0.4 2,-0.5 -0.996 5.5-158.4-126.8 131.5 4.7 -9.3 17.0 78 86 A A E -IJ 64 113D 0 -14,-2.3 -14,-2.0 -2,-0.4 2,-0.4 -0.973 20.7-173.9-107.9 117.4 3.0 -6.0 16.4 79 87 A I E -IJ 63 112D 0 33,-2.6 33,-2.8 -2,-0.5 -16,-0.2 -0.978 17.8-132.3-123.5 125.4 0.0 -5.7 18.8 80 88 A N E - 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