==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-MAR-12 4ALF . 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. . 1162 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 712 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 . 305 26.2 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 . 5 0.4 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 . 1 0.1 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 . 85 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 159 13.7 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 0 4 1 1 1 1 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 . 9 5 2 14 10 9 4 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 8 A S 0 0 50 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.1 -15.1 -32.7 9.9 2 9 A R + 0 0 186 1,-0.2 578,-0.3 577,-0.0 3,-0.0 0.777 360.0 44.6 -68.1 -31.3 -11.6 -33.3 8.5 3 10 A L S S+ 0 0 6 1,-0.1 2,-0.8 576,-0.1 -1,-0.2 0.679 96.8 74.0 -91.2 -24.9 -10.7 -29.9 9.8 4 11 A L + 0 0 1 1,-0.1 575,-0.2 575,-0.1 -1,-0.1 -0.843 50.7 169.8-102.1 105.2 -12.1 -29.9 13.3 5 12 A G + 0 0 13 573,-2.8 576,-0.4 -2,-0.8 2,-0.3 0.394 54.1 65.1-100.1 3.4 -10.0 -32.1 15.5 6 13 A F S S- 0 0 6 572,-0.3 2,-0.4 574,-0.1 574,-0.1 -0.860 82.6-108.8-124.3 157.9 -11.4 -31.3 19.0 7 14 A D - 0 0 108 -2,-0.3 14,-0.1 1,-0.1 -2,-0.1 -0.704 45.2 -98.2 -87.2 134.7 -14.8 -31.8 20.6 8 15 A S - 0 0 30 -2,-0.4 509,-0.2 1,-0.1 -1,-0.1 -0.243 42.6-135.0 -51.1 128.8 -16.9 -28.7 21.2 9 16 A I - 0 0 12 507,-2.2 507,-0.2 1,-0.1 509,-0.1 -0.561 20.2-101.1 -89.1 152.1 -16.5 -27.5 24.8 10 17 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 455,-0.1 -0.329 42.4 -96.7 -63.1 155.0 -19.4 -26.4 27.1 11 18 A A - 0 0 34 487,-0.2 2,-0.3 489,-0.1 489,-0.2 -0.316 47.6-159.2 -59.7 157.0 -20.1 -22.7 27.7 12 19 A A - 0 0 18 487,-0.3 489,-3.1 489,-0.2 508,-0.1 -0.975 31.4-168.0-145.1 156.9 -18.5 -21.4 30.9 13 20 A T + 0 0 78 -2,-0.3 -1,-0.1 487,-0.2 489,-0.1 0.318 52.4 120.5-124.5 6.4 -18.8 -18.5 33.4 14 21 A T S S- 0 0 69 1,-0.1 2,-1.2 507,-0.1 4,-0.1 -0.257 73.3-114.7 -75.8 159.1 -15.5 -18.9 35.3 15 22 A D S S+ 0 0 25 506,-0.2 2,-0.2 2,-0.1 537,-0.2 -0.288 90.3 75.2 -86.7 51.2 -12.8 -16.3 35.6 16 23 A T S S- 0 0 58 -2,-1.2 2,-0.5 504,-0.3 537,-0.0 -0.803 90.9 -88.1-145.5 177.6 -10.4 -18.5 33.7 17 24 A I - 0 0 27 -2,-0.2 2,-0.4 503,-0.1 503,-0.2 -0.913 38.9-161.4 -96.3 124.5 -9.5 -19.8 30.2 18 25 A S B +A 519 0A 31 501,-2.4 501,-2.1 -2,-0.5 -9,-0.1 -0.936 17.8 166.4-107.3 135.1 -11.5 -23.0 29.4 19 26 A L - 0 0 34 -2,-0.4 499,-0.2 499,-0.2 3,-0.1 -0.790 37.5 -85.4-138.5 170.3 -10.1 -25.2 26.5 20 27 A P > - 0 0 11 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.338 65.7 -65.4 -75.5 170.8 -10.7 -28.7 25.1 21 28 A K T 3 S+ 0 0 164 1,-0.2 3,-0.1 -14,-0.1 -14,-0.1 -0.243 122.6 21.6 -52.0 135.7 -8.9 -31.8 26.5 22 29 A G T 3 S+ 0 0 26 1,-0.3 550,-3.0 -3,-0.1 551,-0.5 0.528 98.7 112.3 84.3 4.7 -5.2 -31.7 25.8 23 30 A Y E < -E 571 0B 16 -3,-1.6 2,-0.3 548,-0.3 -1,-0.3 -0.861 41.3-174.5-110.0 148.0 -4.9 -28.0 25.4 24 31 A K E -E 570 0B 103 546,-2.7 546,-2.4 -2,-0.3 2,-0.3 -0.922 9.0-149.8-136.5 162.9 -3.1 -25.5 27.7 25 32 A S E -E 569 0B 48 -2,-0.3 2,-0.3 544,-0.2 544,-0.2 -0.966 10.0-178.1-133.4 150.7 -2.7 -21.7 28.0 26 33 A S E -E 568 0B 54 542,-1.5 542,-2.9 -2,-0.3 2,-0.5 -0.983 34.9-106.1-144.6 149.5 -0.1 -19.4 29.3 27 34 A V E -E 567 0B 59 -2,-0.3 540,-0.2 540,-0.2 3,-0.1 -0.669 28.8-177.2 -77.6 122.0 0.2 -15.6 29.5 28 35 A L E - 0 0 17 538,-3.0 98,-0.5 -2,-0.5 2,-0.3 0.917 68.7 -22.7 -79.5 -51.6 2.6 -14.2 26.9 29 36 A I E -E 566 0B 4 537,-1.2 537,-2.7 96,-0.1 -1,-0.4 -0.977 60.9-153.8-159.3 150.0 2.3 -10.5 28.0 30 37 A S E > -E 565 0B 8 -2,-0.3 3,-2.1 535,-0.2 535,-0.2 -0.923 40.7 -74.6-127.0 156.3 -0.1 -8.3 29.9 31 38 A W T 3 S+ 0 0 8 533,-2.7 27,-0.2 -2,-0.3 28,-0.2 -0.203 117.7 27.8 -40.1 129.3 -1.0 -4.6 30.1 32 39 A G T 3 S+ 0 0 0 25,-2.6 -1,-0.2 1,-0.3 26,-0.1 0.249 78.4 144.2 97.7 -10.7 1.8 -2.7 31.9 33 40 A Q < - 0 0 54 -3,-2.1 24,-2.7 25,-0.2 -1,-0.3 -0.433 54.4-119.1 -62.2 122.1 4.7 -5.0 31.1 34 41 A P B -H 56 0C 10 0, 0.0 22,-0.2 0, 0.0 -1,-0.1 -0.410 21.1-159.9 -62.0 137.9 7.9 -3.0 30.7 35 42 A L + 0 0 0 20,-2.4 94,-2.5 93,-0.1 95,-0.3 0.744 63.8 60.0 -90.6 -24.9 9.3 -3.5 27.2 36 43 A H S > S- 0 0 68 19,-0.5 3,-2.2 92,-0.2 92,-0.1 -0.635 94.7 -84.1-112.2 160.4 12.9 -2.4 27.7 37 44 A K T 3 S+ 0 0 151 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.357 117.6 9.7 -60.4 135.7 15.8 -3.4 29.8 38 45 A N T 3 S+ 0 0 151 1,-0.2 -1,-0.3 -4,-0.1 3,-0.1 0.586 96.9 160.1 68.3 13.0 15.6 -1.8 33.3 39 46 A G < - 0 0 22 -3,-2.2 2,-0.2 1,-0.1 -1,-0.2 -0.166 49.2 -83.4 -66.2 160.1 12.1 -0.6 32.4 40 47 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.399 46.1-121.0 -69.2 129.9 9.5 0.4 35.1 41 48 A A - 0 0 79 -2,-0.2 -8,-0.1 1,-0.1 2,-0.0 -0.324 35.6 -90.9 -66.5 147.9 7.6 -2.5 36.6 42 49 A F - 0 0 35 1,-0.1 -1,-0.1 -8,-0.1 -9,-0.1 -0.380 38.3-147.3 -53.5 132.8 3.8 -2.6 36.4 43 50 A D > - 0 0 61 1,-0.1 3,-1.9 -3,-0.1 5,-0.5 -0.916 8.8-164.9-111.2 103.6 2.4 -0.8 39.5 44 51 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.665 83.6 70.6 -66.1 -12.1 -0.9 -2.4 40.5 45 52 A S T 3 S- 0 0 56 1,-0.1 45,-0.0 516,-0.0 -2,-0.0 0.617 109.0-118.9 -74.7 -12.7 -1.8 0.6 42.7 46 53 A G S < S+ 0 0 4 -3,-1.9 47,-0.1 45,-0.1 48,-0.1 0.451 83.1 117.8 87.4 -2.1 -2.4 2.7 39.6 47 54 A N + 0 0 81 44,-0.2 44,-0.1 45,-0.1 43,-0.1 0.376 36.2 125.9 -81.8 4.8 0.4 5.1 40.5 48 55 A G - 0 0 23 -5,-0.5 2,-0.1 42,-0.2 -6,-0.1 -0.326 61.5-117.7 -57.9 148.6 2.5 4.4 37.4 49 56 A T > - 0 0 51 1,-0.1 4,-2.2 674,-0.0 5,-0.1 -0.418 13.0-115.3 -87.0 165.3 3.3 7.5 35.5 50 57 A A H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.922 118.5 54.4 -59.6 -44.9 2.4 8.5 31.9 51 58 A A H 4 S+ 0 0 33 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.883 108.0 49.6 -60.9 -37.6 6.0 8.3 30.9 52 59 A A H >4 S+ 0 0 11 1,-0.2 3,-1.8 2,-0.2 -1,-0.2 0.907 107.5 53.6 -63.8 -44.0 6.2 4.8 32.3 53 60 A Q H >< S+ 0 0 7 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.837 98.4 65.0 -62.1 -30.3 3.1 3.7 30.4 54 61 A E T 3< S+ 0 0 16 -4,-1.8 -1,-0.3 1,-0.3 81,-0.2 0.647 109.8 38.6 -65.1 -17.2 4.8 5.0 27.2 55 62 A V T < S+ 0 0 48 -3,-1.8 -20,-2.4 -4,-0.3 -19,-0.5 0.128 107.3 80.7-119.5 21.4 7.4 2.3 27.6 56 63 A Q B < S-H 34 0C 8 -3,-1.4 -23,-0.1 -22,-0.2 -25,-0.1 -0.902 95.6 -82.8-121.9 153.3 5.0 -0.5 28.8 57 64 A F - 0 0 0 -24,-2.7 -25,-2.6 -2,-0.3 -2,-0.1 -0.238 59.2-115.2 -49.0 133.9 2.7 -2.8 27.0 58 65 A G - 0 0 0 -27,-0.2 3,-0.3 22,-0.2 52,-0.2 0.007 28.4 -95.2 -74.8 177.2 -0.5 -0.9 26.3 59 66 A D S S+ 0 0 0 50,-1.8 24,-0.3 1,-0.2 25,-0.2 -0.392 92.1 18.6 -88.8 166.9 -4.0 -1.5 27.6 60 67 A N S S- 0 0 0 22,-0.2 23,-2.1 23,-0.1 24,-0.2 0.833 79.8-148.1 41.1 58.2 -6.9 -3.5 26.1 61 68 A N E +I 82 0D 0 -3,-0.3 21,-0.2 481,-0.2 -1,-0.1 -0.189 30.2 158.3 -56.4 146.5 -4.9 -5.4 23.5 62 69 A D E + 0 0 2 19,-2.4 111,-0.2 1,-0.5 110,-0.1 0.015 43.0 21.1-142.6-125.6 -6.9 -6.1 20.4 63 70 A G E + 0 0 0 109,-2.6 18,-3.3 465,-0.2 -1,-0.5 -0.234 65.7 170.0 -63.8 152.1 -5.8 -7.0 16.8 64 71 A M E -I 80 0D 1 465,-0.3 465,-0.4 16,-0.2 2,-0.3 -0.992 21.2-158.1-160.8 151.5 -2.4 -8.4 16.2 65 72 A S E -I 79 0D 8 14,-2.0 14,-2.4 -2,-0.3 2,-0.4 -0.971 13.8-138.6-132.3 151.4 -0.1 -10.0 13.6 66 73 A L E -I 78 0D 10 -2,-0.3 2,-0.5 12,-0.2 12,-0.2 -0.895 14.1-159.4-109.9 137.5 3.0 -12.2 13.8 67 74 A F E -I 77 0D 5 10,-3.2 10,-2.5 -2,-0.4 2,-0.0 -0.977 18.5-124.2-118.9 126.7 6.0 -11.7 11.5 68 75 A E E -I 76 0D 122 -2,-0.5 8,-0.2 8,-0.2 5,-0.1 -0.333 22.5-123.2 -64.0 147.5 8.6 -14.4 10.8 69 76 A F > - 0 0 26 6,-1.1 3,-2.1 3,-0.5 6,-0.2 -0.844 31.5-113.5 -96.2 115.6 12.2 -13.5 11.5 70 77 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.0 0, 0.0 6,-0.0 -0.283 96.0 0.2 -48.8 125.3 14.2 -14.1 8.3 71 78 A G T 3 S+ 0 0 82 1,-0.0 2,-0.3 2,-0.0 -3,-0.0 0.443 116.6 86.1 77.7 3.0 16.7 -17.0 8.9 72 79 A E X - 0 0 109 -3,-2.1 3,-1.6 3,-0.1 -3,-0.5 -0.802 47.9-175.6-143.4 97.7 15.6 -17.8 12.5 73 80 A K T 3 S+ 0 0 156 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.646 85.5 58.9 -69.0 -16.1 12.7 -20.1 13.2 74 81 A N T 3 S+ 0 0 44 44,-0.1 45,-2.3 45,-0.1 46,-0.4 0.245 99.8 66.3-100.6 15.5 12.9 -19.5 16.9 75 82 A R E < + J 0 118D 66 -3,-1.6 -6,-1.1 43,-0.2 2,-0.3 -0.961 54.6 159.2-129.9 150.9 12.3 -15.7 16.7 76 83 A A E -IJ 68 117D 0 41,-2.1 41,-2.6 -2,-0.3 2,-0.4 -0.977 29.3-130.1-157.6 160.4 9.3 -13.7 15.6 77 84 A L E -IJ 67 116D 0 -10,-2.5 -10,-3.2 -2,-0.3 2,-0.4 -0.912 17.3-161.4-110.3 147.1 7.9 -10.2 16.0 78 85 A M E -IJ 66 115D 0 37,-2.9 37,-2.7 -2,-0.4 2,-0.5 -0.994 6.3-158.6-123.5 137.0 4.4 -9.4 17.0 79 86 A A E -IJ 65 114D 0 -14,-2.4 -14,-2.0 -2,-0.4 2,-0.4 -0.979 19.8-175.1-111.6 123.0 2.6 -6.1 16.5 80 87 A I E -IJ 64 113D 0 33,-2.5 33,-2.9 -2,-0.5 -16,-0.2 -0.972 18.1-132.1-129.7 122.6 -0.3 -5.8 18.9 81 88 A N E - 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