==== 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 29-NOV-11 4A9X . 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) . 21258.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 60.6 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 . 153 26.3 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 . 5 0.9 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-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 . 40 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 5.7 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 0 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 . 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 7 7 3 2 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 57 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.5 -35.0 27.4 -17.3 2 9 A R + 0 0 184 1,-0.1 578,-0.2 577,-0.0 506,-0.0 0.923 360.0 40.2 -71.6 -50.0 -31.7 28.5 -15.9 3 10 A L S S+ 0 0 9 1,-0.1 2,-0.8 576,-0.1 -1,-0.1 0.741 100.8 73.8 -72.5 -33.5 -30.5 24.9 -15.2 4 11 A L + 0 0 1 1,-0.1 575,-0.2 575,-0.1 -1,-0.1 -0.825 51.3 169.7 -95.8 105.1 -31.7 23.1 -18.3 5 12 A G + 0 0 12 573,-2.7 576,-0.5 -2,-0.8 2,-0.3 0.423 54.3 63.9 -93.8 -3.0 -29.5 24.0 -21.2 6 13 A F S S- 0 0 6 572,-0.3 2,-0.4 574,-0.1 574,-0.1 -0.833 83.3-105.8-119.8 164.6 -30.6 21.5 -23.9 7 14 A D - 0 0 137 -2,-0.3 14,-0.2 14,-0.1 -2,-0.1 -0.740 43.3-103.1 -92.0 130.1 -34.0 20.9 -25.7 8 15 A S - 0 0 45 -2,-0.4 509,-0.2 1,-0.1 -1,-0.1 -0.197 40.5-142.5 -51.7 131.6 -36.0 17.9 -24.7 9 16 A I - 0 0 16 507,-2.3 507,-0.2 1,-0.1 -1,-0.1 -0.600 19.4 -96.6 -95.5 161.7 -35.5 15.1 -27.3 10 17 A P - 0 0 106 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.281 39.3 -96.8 -76.1 164.4 -38.2 12.6 -28.5 11 18 A A - 0 0 33 487,-0.2 2,-0.3 454,-0.1 489,-0.2 -0.439 45.7-162.7 -71.2 148.4 -38.8 9.1 -27.3 12 19 A A - 0 0 19 487,-0.3 489,-3.1 489,-0.2 508,-0.1 -0.911 31.3-163.8-139.6 159.4 -37.2 6.4 -29.4 13 20 A T + 0 0 79 -2,-0.3 2,-0.1 487,-0.2 509,-0.1 0.206 54.6 122.2-121.0 3.4 -37.4 2.7 -30.0 14 21 A T S S- 0 0 66 1,-0.1 2,-1.3 507,-0.1 4,-0.1 -0.357 72.4-117.1 -77.9 157.5 -34.0 2.3 -31.8 15 22 A D S S+ 0 0 26 506,-0.2 2,-0.2 -2,-0.1 537,-0.2 -0.301 88.9 71.7 -87.1 52.1 -31.2 -0.0 -30.7 16 23 A T S S- 0 0 60 -2,-1.3 2,-0.5 504,-0.3 537,-0.0 -0.829 90.7 -85.5-148.7-178.7 -28.8 3.0 -30.1 17 24 A I - 0 0 24 -2,-0.2 2,-0.4 503,-0.1 503,-0.2 -0.904 38.9-163.0 -99.8 124.5 -28.1 5.9 -27.8 18 25 A S B +A 519 0A 35 501,-2.2 501,-1.9 -2,-0.5 -9,-0.1 -0.933 17.4 164.9-113.3 128.4 -30.1 9.1 -28.7 19 26 A L - 0 0 33 -2,-0.4 499,-0.2 499,-0.2 3,-0.1 -0.777 38.4 -84.0-129.8 173.9 -29.0 12.4 -27.3 20 27 A P > - 0 0 14 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.150 64.5 -65.7 -76.7 176.1 -29.6 16.1 -28.0 21 28 A K T 3 S+ 0 0 203 1,-0.2 -14,-0.1 -14,-0.2 3,-0.1 -0.423 122.0 23.1 -63.6 134.9 -27.9 18.2 -30.7 22 29 A G T 3 S+ 0 0 35 1,-0.3 550,-2.5 -2,-0.1 551,-0.5 0.453 98.5 114.1 86.5 7.4 -24.1 18.7 -30.0 23 30 A Y E < -E 571 0B 22 -3,-1.5 2,-0.3 548,-0.2 -1,-0.3 -0.823 41.7-171.4-112.4 150.6 -23.8 15.6 -27.8 24 31 A K E -E 570 0B 66 546,-3.4 546,-2.5 -2,-0.3 2,-0.3 -0.915 7.9-151.7-136.4 156.3 -21.8 12.4 -28.3 25 32 A S E -E 569 0B 50 -2,-0.3 2,-0.3 544,-0.2 544,-0.2 -0.972 10.4-178.4-127.7 148.4 -21.4 9.0 -26.6 26 33 A S E -E 568 0B 64 542,-1.4 542,-2.8 -2,-0.3 2,-0.4 -0.978 33.8-108.6-142.6 147.9 -18.5 6.5 -26.5 27 34 A V E -E 567 0B 59 -2,-0.3 540,-0.2 540,-0.2 3,-0.1 -0.697 28.4-177.3 -77.6 127.7 -18.2 3.0 -24.8 28 35 A L E - 0 0 17 538,-3.0 98,-0.5 -2,-0.4 2,-0.3 0.894 67.9 -24.9 -85.6 -55.5 -15.9 3.2 -21.7 29 36 A I E -E 566 0B 5 537,-1.0 537,-2.8 96,-0.1 -1,-0.4 -0.961 60.6-154.9-155.5 156.2 -16.0 -0.5 -20.9 30 37 A S E > -E 565 0B 9 -2,-0.3 3,-1.8 535,-0.2 535,-0.2 -0.888 41.3 -71.7-131.9 161.4 -18.4 -3.5 -21.4 31 38 A W T 3 S+ 0 0 7 533,-2.6 27,-0.2 -2,-0.3 28,-0.1 -0.265 118.6 28.4 -49.2 132.4 -19.1 -6.8 -19.7 32 39 A G T 3 S+ 0 0 0 25,-2.7 -1,-0.2 1,-0.3 26,-0.1 0.294 76.8 145.5 95.8 -4.2 -16.2 -9.2 -20.3 33 40 A Q < - 0 0 56 -3,-1.8 24,-2.7 25,-0.2 -1,-0.3 -0.516 52.8-123.4 -67.4 117.9 -13.4 -6.7 -20.7 34 41 A P B -H 56 0C 10 0, 0.0 22,-0.3 0, 0.0 5,-0.1 -0.379 20.3-160.3 -62.0 137.4 -10.2 -8.3 -19.2 35 42 A L + 0 0 0 20,-2.5 94,-2.1 93,-0.1 95,-0.3 0.698 62.1 64.8 -89.8 -26.0 -8.9 -5.9 -16.4 36 43 A H S > S- 0 0 67 19,-0.6 3,-1.8 92,-0.2 92,-0.1 -0.617 96.6 -77.8-108.2 161.0 -5.3 -7.1 -16.2 37 44 A K T 3 S+ 0 0 167 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.338 118.2 1.1 -56.8 127.5 -2.3 -7.1 -18.4 38 45 A N T 3 S+ 0 0 147 1,-0.2 -1,-0.3 -4,-0.1 3,-0.1 0.817 97.5 168.0 59.5 35.3 -2.5 -9.9 -21.0 39 46 A G < - 0 0 21 -3,-1.8 2,-0.2 1,-0.1 -1,-0.2 -0.310 45.7 -79.6 -76.7 161.0 -5.9 -10.8 -19.5 40 47 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.438 49.6-121.9 -67.3 130.5 -8.3 -13.3 -21.3 41 48 A A - 0 0 81 -2,-0.2 2,-0.1 1,-0.1 -8,-0.1 -0.286 36.5 -87.7 -68.5 150.6 -10.3 -11.6 -24.1 42 49 A F - 0 0 35 1,-0.1 -1,-0.1 -8,-0.1 -9,-0.1 -0.448 39.3-141.6 -58.0 132.9 -14.1 -11.6 -24.1 43 50 A D > - 0 0 57 1,-0.1 3,-1.6 -2,-0.1 5,-0.4 -0.887 10.2-164.6-102.8 103.6 -15.5 -14.8 -25.7 44 51 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.693 82.7 68.1 -59.5 -20.4 -18.6 -14.0 -27.8 45 52 A S T 3 S- 0 0 58 1,-0.1 45,-0.0 516,-0.0 -2,-0.0 0.499 108.6-115.8 -75.4 -15.5 -19.6 -17.8 -28.0 46 53 A G S < S+ 0 0 4 -3,-1.6 47,-0.1 45,-0.1 -1,-0.1 0.264 87.2 113.3 92.8 -6.2 -20.3 -18.1 -24.2 47 54 A N + 0 0 105 44,-0.2 44,-0.1 45,-0.1 43,-0.1 0.385 38.4 127.6 -82.3 6.3 -17.5 -20.6 -23.7 48 55 A G - 0 0 22 -5,-0.4 2,-0.1 42,-0.2 -6,-0.1 -0.232 59.7-117.5 -57.7 147.3 -15.5 -18.2 -21.5 49 56 A T > - 0 0 80 1,-0.1 4,-1.6 56,-0.0 -1,-0.1 -0.364 11.3-115.5 -87.6 171.7 -14.5 -19.8 -18.2 50 57 A A H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.935 116.8 51.1 -70.8 -44.6 -15.3 -18.9 -14.6 51 58 A A H 4 S+ 0 0 48 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.904 109.1 51.0 -61.5 -38.5 -11.7 -18.1 -13.8 52 59 A A H >4 S+ 0 0 12 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.910 107.6 53.2 -64.8 -38.4 -11.5 -15.8 -16.8 53 60 A Q H >< S+ 0 0 7 -4,-1.6 3,-1.2 1,-0.3 -1,-0.2 0.819 99.3 62.7 -67.0 -27.6 -14.8 -14.0 -15.6 54 61 A E T 3< S+ 0 0 36 -4,-1.6 -1,-0.3 -3,-0.3 81,-0.2 0.585 110.8 39.9 -71.2 -11.6 -13.2 -13.4 -12.2 55 62 A V T < S+ 0 0 48 -3,-1.6 -20,-2.5 -4,-0.4 -19,-0.6 0.136 108.1 78.7-119.9 15.3 -10.5 -11.2 -14.0 56 63 A Q B < S-H 34 0C 8 -3,-1.2 -23,-0.1 -22,-0.3 -25,-0.1 -0.922 96.1 -82.5-125.4 153.7 -13.0 -9.5 -16.5 57 64 A F - 0 0 0 -24,-2.7 -25,-2.7 -2,-0.3 -2,-0.1 -0.220 58.0-116.2 -53.8 129.3 -15.5 -6.7 -16.1 58 65 A G - 0 0 0 -27,-0.2 3,-0.3 22,-0.2 -25,-0.2 0.051 28.6 -94.6 -65.8 176.4 -18.7 -8.1 -14.6 59 66 A D S S+ 0 0 0 50,-1.7 24,-0.2 1,-0.2 -1,-0.1 -0.381 92.6 18.4 -91.4 169.4 -22.2 -8.3 -16.1 60 67 A N S S- 0 0 0 22,-0.2 23,-1.8 23,-0.1 24,-0.3 0.797 79.5-147.8 33.2 62.4 -25.2 -5.9 -15.9 61 68 A N E +I 82 0D 0 -3,-0.3 21,-0.2 481,-0.2 -1,-0.1 -0.169 30.8 158.8 -54.3 136.7 -23.2 -2.9 -14.6 62 69 A D E + 0 0 2 19,-2.3 111,-0.2 1,-0.5 110,-0.1 0.055 42.1 22.5-132.9-118.6 -25.4 -0.8 -12.3 63 70 A G E + 0 0 0 109,-2.5 18,-2.7 108,-0.2 -1,-0.5 -0.236 67.2 174.4 -63.7 150.3 -24.6 1.8 -9.6 64 71 A M E -I 80 0D 1 465,-0.3 465,-0.4 16,-0.2 2,-0.3 -0.998 22.8-157.2-158.2 154.3 -21.2 3.5 -9.7 65 72 A S E -I 79 0D 6 14,-2.0 14,-2.2 -2,-0.3 2,-0.4 -0.978 13.1-143.0-132.3 145.6 -18.9 6.2 -8.3 66 73 A L E -I 78 0D 9 -2,-0.3 2,-0.5 12,-0.2 12,-0.2 -0.910 15.9-155.6-106.6 133.5 -16.0 8.1 -9.7 67 74 A F E -I 77 0D 5 10,-3.6 10,-2.3 -2,-0.4 465,-0.0 -0.945 16.5-127.0-116.9 114.4 -13.1 8.9 -7.3 68 75 A E E -I 76 0D 122 -2,-0.5 8,-0.2 8,-0.2 5,-0.1 -0.232 26.7-124.8 -51.0 128.2 -10.7 11.9 -7.9 69 76 A F > - 0 0 23 6,-1.3 3,-2.2 3,-0.5 6,-0.2 -0.748 31.7-113.4 -82.5 113.1 -7.1 10.7 -7.9 70 77 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.288 95.8 2.8 -52.0 127.0 -5.2 12.8 -5.2 71 78 A G T 3 S+ 0 0 88 1,-0.0 2,-0.3 2,-0.0 -3,-0.0 0.452 116.6 85.3 79.6 3.0 -2.6 15.1 -6.9 72 79 A E X - 0 0 85 -3,-2.2 3,-1.2 3,-0.1 -3,-0.5 -0.786 48.9-175.1-142.2 95.7 -3.5 14.0 -10.5 73 80 A K T 3 S+ 0 0 169 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.572 84.5 56.9 -66.1 -13.2 -6.3 15.8 -12.3 74 81 A N T 3 S+ 0 0 80 44,-0.1 45,-1.8 -5,-0.1 2,-0.3 -0.044 101.6 64.5-108.5 29.7 -6.0 13.4 -15.5 75 82 A R E < + J 0 118D 55 -3,-1.2 -6,-1.3 43,-0.2 2,-0.3 -0.981 55.1 159.9-146.3 153.0 -6.6 10.2 -13.5 76 83 A A E -IJ 68 117D 0 41,-1.9 41,-2.9 -2,-0.3 2,-0.4 -0.978 30.1-125.2-167.6 157.2 -9.5 8.7 -11.5 77 84 A L E -IJ 67 116D 0 -10,-2.3 -10,-3.6 -2,-0.3 2,-0.4 -0.887 17.8-161.3-109.5 146.7 -10.9 5.4 -10.2 78 85 A M E -IJ 66 115D 0 37,-2.7 37,-2.7 -2,-0.4 2,-0.6 -0.997 4.2-158.9-126.2 127.8 -14.4 4.2 -10.8 79 86 A A E -IJ 65 114D 0 -14,-2.2 -14,-2.0 -2,-0.4 2,-0.4 -0.963 19.2-173.1-107.4 119.5 -16.0 1.5 -8.7 80 87 A I E -IJ 64 113D 0 33,-2.8 33,-3.0 -2,-0.6 -16,-0.2 -0.967 16.8-133.1-122.8 129.9 -18.8 -0.1 -10.6 81 88 A N E - J 0 112D 0 -18,-2.7 -19,-2.3 -2,-0.4 2,-0.5 -0.552 5.4-154.9 -80.9 146.9 -21.4 -2.7 -9.4 82 89 A N E -IJ 61 111D 0 29,-2.9 29,-2.4 -21,-0.2 89,-0.8 -0.967 16.3-179.1-119.5 103.9 -22.3 -5.8 -11.3 83 90 A E - 0 0 12 -23,-1.8 87,-0.8 -2,-0.5 2,-0.2 0.941 51.3 -28.5 -74.1 -57.4 -25.8 -6.8 -10.3 84 91 A Y - 0 0 62 -24,-0.3 2,-0.3 86,-0.1 -1,-0.1 -0.814 58.6-105.9-150.6-175.9 -26.8 -10.0 -12.1 85 92 A T - 0 0 13 -2,-0.2 2,-0.9 -26,-0.1 3,-0.1 -0.964 15.4-129.9-129.3 156.4 -26.2 -12.1 -15.2 86 93 A N >> - 0 0 19 -2,-0.3 4,-1.8 1,-0.2 3,-1.5 -0.832 16.1-164.1-105.4 94.2 -28.1 -12.9 -18.4 87 94 A Y H 3> S+ 0 0 29 -2,-0.9 4,-1.5 1,-0.3 7,-0.3 0.756 84.8 66.2 -48.2 -34.8 -28.1 -16.7 -18.7 88 95 A R H 34 S+ 0 0 128 1,-0.2 -1,-0.3 2,-0.2 7,-0.1 0.862 117.6 26.0 -60.4 -33.0 -29.2 -16.5 -22.5 89 96 A Y H <4 S+ 0 0 25 -3,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.610 115.1 63.4-101.7 -19.1 -25.8 -14.8 -23.2 90 97 A L H < S+ 0 0 3 -4,-1.8 -3,-0.2 5,-0.1 -42,-0.2 0.879 104.9 38.7 -76.6 -42.3 -23.6 -16.1 -20.5 91 98 A Y S >< S- 0 0 2 -4,-1.5 3,-0.7 -5,-0.2 -44,-0.2 -0.800 78.1-127.6-106.8 153.5 -23.6 -19.8 -21.3 92 99 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -45,-0.1 0.882 114.8 54.1 -66.6 -34.0 -23.5 -21.4 -24.8 93 100 A H T 3 S- 0 0 70 -47,-0.1 3,-0.1 2,-0.1 -5,-0.1 0.636 100.0-145.4 -69.7 -20.2 -26.6 -23.4 -23.9 94 101 A G < + 0 0 30 -3,-0.7 2,-0.1 -7,-0.3 -6,-0.1 0.716 62.1 86.1 60.2 31.3 -28.3 -20.1 -22.9 95 102 A G S S- 0 0 27 1,-0.3 -1,-0.2 -8,-0.2 -4,-0.1 -0.372 83.0 -29.1-134.7-153.7 -30.3 -21.6 -20.0 96 103 A M S S- 0 0 80 1,-0.1 -1,-0.3 -2,-0.1 123,-0.1 -0.338 77.7 -82.0 -69.6 154.3 -30.1 -22.5 -16.4 97 104 A P - 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