==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-NOV-11 4A9V . COMPND 2 MOLECULE: PHOX; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR S.C.YONG,P.ROVERSI,J.E.D.LILLINGTON,O.B.ZELDIN,E.F.GARMAN,S. . 581 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 155 26.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 0.2 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 . 45 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 0 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 5 2 1 8 5 3 3 1 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 . 1 0 1 2 1 0 0 1 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 58 0, 0.0 507,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.0 -35.0 28.0 -15.8 2 9 A R + 0 0 179 1,-0.1 578,-0.3 577,-0.0 3,-0.0 0.755 360.0 42.4 -70.1 -24.0 -31.6 29.2 -14.5 3 10 A L S S+ 0 0 4 1,-0.1 2,-0.9 576,-0.1 -1,-0.1 0.659 92.9 77.8-100.0 -35.4 -30.5 25.6 -14.7 4 11 A L + 0 0 1 1,-0.1 575,-0.2 575,-0.1 -1,-0.1 -0.819 47.8 169.0 -93.4 104.0 -31.8 24.1 -17.9 5 12 A G + 0 0 11 573,-2.6 576,-0.5 -2,-0.9 2,-0.3 0.415 53.1 63.7 -99.3 1.4 -29.6 25.3 -20.7 6 13 A F S S- 0 0 5 572,-0.3 2,-0.4 574,-0.1 574,-0.1 -0.844 83.0-105.3-125.5 158.0 -30.7 23.1 -23.6 7 14 A D - 0 0 111 -2,-0.3 14,-0.1 14,-0.1 -2,-0.1 -0.686 45.5-100.6 -83.1 135.1 -33.9 22.6 -25.6 8 15 A S - 0 0 30 -2,-0.4 509,-0.2 1,-0.1 -1,-0.1 -0.292 41.9-136.2 -55.9 128.8 -35.9 19.4 -24.8 9 16 A I - 0 0 13 507,-2.4 507,-0.2 1,-0.1 509,-0.1 -0.512 20.9 -98.5 -89.3 157.5 -35.2 16.9 -27.6 10 17 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 456,-0.1 -0.399 40.2 -99.6 -70.8 152.4 -37.8 14.7 -29.3 11 18 A A - 0 0 35 454,-0.3 2,-0.3 487,-0.2 489,-0.2 -0.332 48.1-162.1 -57.1 153.5 -38.4 11.1 -28.2 12 19 A A - 0 0 20 487,-0.3 489,-3.0 489,-0.2 508,-0.1 -0.961 31.9-164.7-147.2 159.2 -36.6 8.7 -30.6 13 20 A T + 0 0 74 -2,-0.3 -1,-0.1 487,-0.2 489,-0.1 0.324 52.9 119.5-126.8 5.6 -36.7 5.1 -31.7 14 21 A T S S- 0 0 69 1,-0.1 2,-1.3 507,-0.1 4,-0.1 -0.237 74.1-114.0 -78.8 159.8 -33.3 4.8 -33.5 15 22 A D S S+ 0 0 26 506,-0.2 2,-0.3 2,-0.1 537,-0.2 -0.342 90.3 78.9 -87.7 54.8 -30.5 2.4 -32.5 16 23 A T S S- 0 0 58 -2,-1.3 2,-0.5 504,-0.3 -4,-0.0 -0.897 88.1 -93.2-147.0 170.1 -28.3 5.5 -31.7 17 24 A I - 0 0 26 -2,-0.3 2,-0.4 503,-0.1 503,-0.2 -0.853 38.2-162.8 -89.8 128.0 -27.6 8.1 -29.0 18 25 A S B +A 519 0A 32 501,-2.5 501,-1.9 -2,-0.5 -9,-0.1 -0.947 15.9 166.5-111.5 138.8 -29.6 11.3 -29.6 19 26 A L - 0 0 35 -2,-0.4 499,-0.2 499,-0.2 3,-0.1 -0.834 38.7 -81.4-138.9 173.6 -28.6 14.5 -27.9 20 27 A P > - 0 0 10 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.295 65.0 -72.8 -74.4 167.3 -29.4 18.2 -28.1 21 28 A K T 3 S+ 0 0 165 1,-0.2 -14,-0.1 -14,-0.1 3,-0.1 -0.276 120.9 27.6 -56.8 137.9 -27.7 20.5 -30.6 22 29 A G T 3 S+ 0 0 23 1,-0.3 550,-2.9 -3,-0.1 551,-0.5 0.471 98.9 109.1 88.0 4.8 -24.0 21.1 -29.7 23 30 A Y E < -E 571 0B 14 -3,-1.6 -1,-0.3 548,-0.3 2,-0.3 -0.828 43.5-173.4-112.7 152.1 -23.5 17.9 -27.8 24 31 A K E -E 570 0B 71 546,-2.7 546,-2.2 -2,-0.3 2,-0.3 -0.919 8.8-149.0-141.1 161.3 -21.5 14.8 -28.8 25 32 A S E -E 569 0B 52 -2,-0.3 2,-0.3 544,-0.2 544,-0.2 -0.963 10.2-178.0-133.4 148.8 -21.0 11.3 -27.4 26 33 A S E -E 568 0B 71 542,-1.5 542,-2.9 -2,-0.3 2,-0.5 -0.987 34.4-107.9-139.7 149.1 -18.1 8.8 -27.5 27 34 A V E -E 567 0B 56 -2,-0.3 540,-0.2 540,-0.2 3,-0.1 -0.663 28.1-176.5 -77.3 121.9 -17.7 5.3 -26.1 28 35 A L E - 0 0 17 538,-3.0 98,-0.5 -2,-0.5 2,-0.3 0.914 67.7 -23.9 -78.4 -50.0 -15.5 5.2 -23.1 29 36 A I E -E 566 0B 4 537,-1.2 537,-2.6 96,-0.1 -1,-0.4 -0.975 60.5-153.1-163.3 149.2 -15.5 1.4 -22.6 30 37 A S E > -E 565 0B 10 -2,-0.3 3,-2.1 535,-0.2 535,-0.2 -0.943 39.6 -74.9-126.5 157.4 -17.7 -1.6 -23.5 31 38 A W T 3 S+ 0 0 8 533,-2.7 27,-0.2 -2,-0.3 28,-0.1 -0.156 117.5 28.0 -41.2 127.5 -18.4 -5.0 -22.1 32 39 A G T 3 S+ 0 0 0 25,-2.5 -1,-0.3 1,-0.3 26,-0.1 0.258 78.5 143.9 99.4 -9.8 -15.5 -7.3 -22.9 33 40 A Q < - 0 0 51 -3,-2.1 24,-2.8 25,-0.2 -1,-0.3 -0.445 54.1-120.4 -63.0 123.8 -12.7 -4.7 -23.0 34 41 A P B -H 56 0C 11 0, 0.0 22,-0.2 0, 0.0 -1,-0.1 -0.404 21.1-160.8 -63.6 140.2 -9.5 -6.2 -21.6 35 42 A L + 0 0 0 20,-2.3 94,-2.6 93,-0.1 95,-0.3 0.721 62.2 62.4 -91.7 -27.7 -8.3 -4.2 -18.6 36 43 A H S > S- 0 0 67 19,-0.5 3,-2.2 92,-0.2 92,-0.1 -0.592 95.9 -78.4-110.0 159.8 -4.7 -5.3 -18.4 37 44 A K T 3 S+ 0 0 168 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.355 117.4 2.1 -55.3 133.2 -1.6 -5.0 -20.5 38 45 A N T 3 S+ 0 0 150 1,-0.2 -1,-0.3 -4,-0.1 3,-0.1 0.651 97.2 163.1 61.1 22.7 -1.7 -7.6 -23.3 39 46 A G < - 0 0 22 -3,-2.2 2,-0.2 1,-0.2 -1,-0.2 -0.142 47.7 -76.8 -71.6 166.5 -5.1 -8.8 -22.1 40 47 A P - 0 0 52 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.398 48.3-121.8 -71.0 129.8 -7.4 -10.9 -24.2 41 48 A A - 0 0 79 -2,-0.2 -8,-0.1 1,-0.1 15,-0.0 -0.316 35.6 -92.2 -63.9 148.7 -9.3 -9.1 -26.9 42 49 A F - 0 0 35 1,-0.1 -1,-0.1 -8,-0.1 -9,-0.1 -0.347 37.6-147.1 -56.2 135.8 -13.1 -9.2 -26.9 43 50 A D > - 0 0 60 1,-0.1 3,-1.8 -3,-0.1 5,-0.5 -0.916 8.8-164.3-114.1 105.6 -14.3 -12.1 -29.0 44 51 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.641 82.9 71.0 -67.7 -11.1 -17.6 -11.2 -30.7 45 52 A S T 3 S- 0 0 56 1,-0.0 45,-0.0 516,-0.0 -2,-0.0 0.530 108.8-117.2 -77.4 -13.4 -18.3 -14.9 -31.5 46 53 A G S < S+ 0 0 5 -3,-1.8 47,-0.1 45,-0.1 48,-0.1 0.409 84.0 117.1 92.3 -4.9 -18.9 -15.7 -27.9 47 54 A N + 0 0 102 44,-0.2 44,-0.1 45,-0.1 43,-0.0 0.484 36.2 124.9 -83.9 4.2 -16.0 -18.1 -27.6 48 55 A G - 0 0 23 -5,-0.5 2,-0.1 42,-0.1 -6,-0.1 -0.236 61.2-118.4 -58.5 145.8 -14.2 -16.0 -25.0 49 56 A T > - 0 0 77 1,-0.1 4,-2.2 56,-0.0 5,-0.1 -0.403 13.5-114.5 -84.2 165.9 -13.3 -18.0 -21.9 50 57 A A H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.916 118.7 54.8 -59.3 -44.7 -14.4 -17.5 -18.3 51 58 A A H 4 S+ 0 0 46 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.886 108.2 48.8 -61.1 -38.4 -10.8 -16.7 -17.4 52 59 A A H >4 S+ 0 0 13 1,-0.2 3,-1.8 2,-0.2 -1,-0.2 0.918 107.8 53.8 -64.4 -42.7 -10.7 -14.0 -20.0 53 60 A Q H >< S+ 0 0 6 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.850 98.4 64.8 -65.4 -27.0 -14.0 -12.5 -18.8 54 61 A E T 3< S+ 0 0 37 -4,-1.9 -1,-0.3 1,-0.3 81,-0.2 0.638 110.2 38.1 -68.3 -12.9 -12.5 -12.3 -15.3 55 62 A V T < S+ 0 0 49 -3,-1.8 -20,-2.3 -4,-0.3 -19,-0.5 0.125 107.1 81.8-123.2 19.9 -9.9 -9.8 -16.7 56 63 A Q B < S-H 34 0C 10 -3,-1.5 -23,-0.1 -22,-0.2 -25,-0.1 -0.891 95.2 -83.5-121.5 150.9 -12.3 -7.9 -19.1 57 64 A F - 0 0 0 -24,-2.8 -25,-2.5 -2,-0.3 -2,-0.1 -0.258 58.9-115.2 -47.6 133.6 -14.8 -5.2 -18.4 58 65 A G - 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J 0 112D 0 -18,-3.4 -19,-2.2 -2,-0.4 2,-0.5 -0.456 7.1-155.2 -71.2 151.0 -21.1 -2.0 -11.5 82 89 A N E -IJ 61 111D 0 29,-2.9 29,-2.3 -21,-0.2 89,-0.8 -0.972 14.8-176.5-126.2 105.1 -21.7 -5.0 -13.8 83 90 A E - 0 0 14 -23,-2.0 87,-0.6 -2,-0.5 2,-0.3 0.899 50.4 -36.5 -81.2 -45.9 -25.2 -6.1 -12.9 84 91 A Y - 0 0 54 -24,-0.2 2,-0.3 -25,-0.2 -1,-0.1 -0.863 57.9-105.7-162.2-172.1 -26.0 -9.3 -15.0 85 92 A T - 0 0 13 -2,-0.3 2,-0.7 -26,-0.1 3,-0.1 -0.910 15.6-125.0-136.7 163.7 -25.4 -10.8 -18.4 86 93 A N >> - 0 0 19 -2,-0.3 4,-2.2 1,-0.1 3,-1.9 -0.918 15.3-161.8-113.5 99.0 -27.2 -11.6 -21.6 87 94 A Y H 3> S+ 0 0 29 -2,-0.7 4,-1.4 1,-0.3 7,-0.2 0.816 87.2 66.3 -56.2 -31.4 -27.0 -15.3 -22.4 88 95 A R H 34 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.1 7,-0.1 0.780 118.2 24.9 -60.2 -25.0 -28.0 -14.7 -26.1 89 96 A Y H <4 S+ 0 0 26 -3,-1.9 -2,-0.2 5,-0.1 -1,-0.2 0.618 113.6 66.2-108.6 -24.1 -24.7 -12.8 -26.5 90 97 A L H < S+ 0 0 2 -4,-2.2 -3,-0.2 5,-0.1 -2,-0.1 0.888 103.2 39.4 -71.1 -43.2 -22.5 -14.3 -23.8 91 98 A Y S >< S- 0 0 2 -4,-1.4 3,-1.1 -5,-0.2 -44,-0.2 -0.831 78.3-125.3-108.4 153.2 -22.2 -17.8 -25.2 92 99 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -45,-0.1 0.875 115.0 53.7 -62.6 -34.4 -21.8 -19.0 -28.8 93 100 A H T 3 S- 0 0 70 -47,-0.1 3,-0.1 2,-0.1 -5,-0.1 0.646 100.1-141.8 -75.0 -17.2 -24.8 -21.2 -28.2 94 101 A G < + 0 0 30 -3,-1.1 2,-0.1 -7,-0.2 -1,-0.1 0.603 64.6 86.7 70.7 14.4 -26.8 -18.2 -27.1 95 102 A G S S- 0 0 29 1,-0.3 -1,-0.2 -8,-0.1 -4,-0.1 -0.330 82.6 -33.7-128.2-158.4 -28.7 -20.2 -24.4 96 103 A M S S- 0 0 78 1,-0.1 -1,-0.3 -2,-0.1 123,-0.1 -0.270 76.7 -80.3 -62.5 156.0 -28.6 -21.4 -20.8 97 104 A P - 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