==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-MAR-12 4AMF . 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. . 1162 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40577.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 713 61.4 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 . 315 27.1 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 . 8 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 . 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 . 79 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 162 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 5.5 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 2 0 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 . 10 4 2 13 11 9 5 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 55 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.4 -14.5 -33.0 9.6 2 9 A R + 0 0 184 1,-0.1 578,-0.3 577,-0.0 3,-0.0 0.857 360.0 39.0 -74.9 -40.4 -11.0 -33.1 8.1 3 10 A L S S+ 0 0 7 1,-0.1 2,-1.0 576,-0.1 -1,-0.1 0.724 97.9 78.7 -85.3 -30.1 -10.0 -29.7 9.6 4 11 A L + 0 0 0 1,-0.1 575,-0.2 575,-0.1 -1,-0.1 -0.756 48.3 167.6 -91.9 100.4 -11.7 -29.9 13.1 5 12 A G + 0 0 13 573,-2.9 576,-0.4 -2,-1.0 2,-0.3 0.394 53.4 64.5 -92.1 2.8 -9.5 -32.1 15.3 6 13 A F S S- 0 0 6 572,-0.3 2,-0.3 574,-0.1 574,-0.1 -0.877 82.0-107.0-127.0 159.3 -11.0 -31.3 18.7 7 14 A D - 0 0 112 -2,-0.3 14,-0.1 14,-0.1 -2,-0.1 -0.648 45.3 -99.5 -84.0 136.9 -14.3 -31.8 20.5 8 15 A S - 0 0 47 -2,-0.3 509,-0.2 1,-0.1 -1,-0.1 -0.268 43.4-135.8 -55.7 123.9 -16.6 -28.8 21.0 9 16 A I - 0 0 13 507,-2.3 507,-0.2 1,-0.1 509,-0.1 -0.553 19.8-100.6 -84.1 155.2 -16.1 -27.6 24.6 10 17 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 455,-0.1 -0.277 42.1 -98.7 -66.9 156.9 -18.9 -26.5 26.9 11 18 A A - 0 0 35 487,-0.2 2,-0.3 454,-0.1 489,-0.2 -0.382 46.4-157.2 -67.5 155.1 -19.7 -22.8 27.5 12 19 A A - 0 0 18 487,-0.3 489,-3.0 489,-0.2 508,-0.1 -0.959 31.4-168.8-141.1 155.9 -18.1 -21.5 30.7 13 20 A T + 0 0 78 -2,-0.3 2,-0.1 487,-0.2 -1,-0.1 0.257 53.0 119.8-123.4 7.3 -18.6 -18.6 33.2 14 21 A T S S- 0 0 68 1,-0.1 2,-1.2 507,-0.1 4,-0.1 -0.334 74.4-114.5 -74.3 161.6 -15.4 -19.0 35.1 15 22 A D S S+ 0 0 26 506,-0.2 2,-0.2 -2,-0.1 537,-0.2 -0.274 90.3 73.9 -87.3 49.8 -12.6 -16.4 35.5 16 23 A T S S- 0 0 61 -2,-1.2 2,-0.5 504,-0.3 -4,-0.0 -0.850 91.1 -86.4-146.6 178.1 -10.1 -18.6 33.6 17 24 A I - 0 0 25 -2,-0.2 2,-0.4 503,-0.1 503,-0.2 -0.883 39.4-161.1 -95.1 125.3 -9.2 -19.8 30.1 18 25 A S B +A 519 0A 30 501,-2.5 501,-2.0 -2,-0.5 -9,-0.1 -0.927 18.0 167.4-109.0 131.9 -11.2 -23.1 29.2 19 26 A L - 0 0 36 -2,-0.4 499,-0.2 499,-0.2 3,-0.1 -0.836 36.9 -86.0-134.9 169.6 -9.8 -25.2 26.4 20 27 A P > - 0 0 12 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.317 64.5 -67.9 -75.2 168.4 -10.3 -28.7 24.9 21 28 A K T 3 S+ 0 0 164 1,-0.2 -14,-0.1 -14,-0.1 3,-0.1 -0.241 122.1 24.9 -47.7 136.9 -8.6 -31.9 26.3 22 29 A G T 3 S+ 0 0 27 1,-0.3 550,-2.7 -3,-0.1 551,-0.5 0.555 99.0 110.6 82.6 8.1 -4.8 -31.8 25.5 23 30 A Y E < -E 571 0B 15 -3,-1.4 2,-0.3 548,-0.3 -1,-0.3 -0.880 42.1-172.7-116.9 153.2 -4.5 -28.0 25.3 24 31 A K E -E 570 0B 68 546,-2.6 546,-2.2 -2,-0.3 2,-0.3 -0.929 8.7-149.3-138.8 162.2 -2.8 -25.5 27.5 25 32 A S E -E 569 0B 48 -2,-0.3 2,-0.3 544,-0.2 544,-0.2 -0.969 10.0-178.0-133.1 150.0 -2.4 -21.7 27.8 26 33 A S E -E 568 0B 66 542,-1.7 542,-2.9 -2,-0.3 2,-0.5 -0.980 34.3-109.3-141.9 149.1 0.2 -19.4 29.1 27 34 A V E -E 567 0B 58 -2,-0.3 540,-0.2 540,-0.2 3,-0.1 -0.699 28.4-176.8 -78.9 123.3 0.3 -15.6 29.4 28 35 A L E - 0 0 17 538,-3.1 98,-0.5 -2,-0.5 2,-0.3 0.886 67.5 -22.6 -82.4 -50.6 2.7 -14.1 26.8 29 36 A I E -E 566 0B 4 537,-1.2 537,-2.8 96,-0.1 -1,-0.4 -0.972 60.5-152.8-160.4 149.4 2.4 -10.5 28.0 30 37 A S E > -E 565 0B 10 -2,-0.3 3,-2.2 535,-0.2 27,-0.3 -0.916 40.0 -75.2-127.2 157.8 0.0 -8.3 29.9 31 38 A W T 3 S+ 0 0 7 533,-2.7 27,-0.2 -2,-0.3 28,-0.1 -0.204 117.7 26.4 -43.2 132.4 -0.9 -4.6 30.0 32 39 A G T 3 S+ 0 0 0 25,-2.6 -1,-0.3 1,-0.3 26,-0.1 0.251 78.4 143.8 93.4 -7.9 1.8 -2.7 31.8 33 40 A Q < - 0 0 53 -3,-2.2 24,-2.5 25,-0.2 -1,-0.3 -0.432 55.5-119.3 -62.4 121.8 4.8 -5.0 31.1 34 41 A P B -H 56 0C 10 0, 0.0 22,-0.3 0, 0.0 -1,-0.1 -0.415 20.8-157.9 -62.3 137.0 7.9 -2.9 30.6 35 42 A L + 0 0 0 20,-2.6 94,-2.3 93,-0.1 95,-0.3 0.761 64.5 61.0 -89.0 -25.6 9.3 -3.4 27.2 36 43 A H S > S- 0 0 67 19,-0.6 3,-2.3 92,-0.2 92,-0.1 -0.637 95.7 -81.3-109.6 163.4 12.9 -2.4 27.7 37 44 A K T 3 S+ 0 0 144 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.329 117.7 5.2 -61.7 134.1 15.8 -3.4 29.9 38 45 A N T 3 S+ 0 0 151 1,-0.2 -1,-0.3 -4,-0.1 3,-0.1 0.601 97.3 160.3 62.7 19.0 15.5 -1.9 33.4 39 46 A G < - 0 0 22 -3,-2.3 2,-0.3 1,-0.1 -1,-0.2 -0.119 50.6 -78.0 -67.3 161.8 12.1 -0.6 32.4 40 47 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.478 47.8-120.8 -68.4 128.0 9.5 0.4 35.0 41 48 A A - 0 0 81 -2,-0.3 -8,-0.1 1,-0.1 2,-0.1 -0.282 36.4 -93.4 -61.9 150.2 7.6 -2.5 36.6 42 49 A F - 0 0 34 1,-0.1 -1,-0.1 -8,-0.1 -9,-0.1 -0.401 38.1-145.2 -61.3 138.3 3.8 -2.5 36.3 43 50 A D > - 0 0 62 1,-0.1 3,-1.8 -3,-0.1 5,-0.4 -0.927 8.3-161.8-112.1 106.1 2.3 -0.8 39.4 44 51 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.670 84.6 70.9 -65.1 -11.5 -1.0 -2.5 40.4 45 52 A S T 3 S- 0 0 55 1,-0.1 -3,-0.0 -3,-0.0 45,-0.0 0.608 108.2-118.3 -75.9 -14.5 -1.9 0.6 42.5 46 53 A G S < S+ 0 0 4 -3,-1.8 47,-0.1 45,-0.1 -1,-0.1 0.382 84.3 116.0 91.3 -3.3 -2.5 2.7 39.4 47 54 A N + 0 0 83 44,-0.2 44,-0.1 45,-0.1 43,-0.1 0.384 37.0 125.2 -81.8 4.8 0.3 5.2 40.4 48 55 A G - 0 0 23 -5,-0.4 2,-0.1 42,-0.2 -6,-0.1 -0.332 63.3-115.3 -58.2 147.3 2.4 4.3 37.4 49 56 A T > - 0 0 51 1,-0.1 4,-2.3 674,-0.0 5,-0.1 -0.417 12.2-117.9 -84.8 164.5 3.3 7.4 35.4 50 57 A A H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.931 117.6 55.5 -63.0 -41.7 2.2 8.3 31.8 51 58 A A H 4 S+ 0 0 29 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.899 108.1 47.7 -59.8 -41.0 5.9 8.3 30.8 52 59 A A H >4 S+ 0 0 12 1,-0.2 3,-1.9 2,-0.2 -1,-0.2 0.919 108.3 55.6 -64.5 -40.7 6.3 4.7 32.2 53 60 A Q H >< S+ 0 0 7 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.857 99.0 61.6 -61.7 -30.3 3.1 3.7 30.3 54 61 A E T 3< S+ 0 0 12 -4,-1.9 -1,-0.3 1,-0.3 81,-0.2 0.608 110.7 39.7 -69.2 -14.4 4.7 5.0 27.1 55 62 A V T < S+ 0 0 48 -3,-1.9 -20,-2.6 -4,-0.3 -19,-0.6 0.148 107.7 79.6-119.2 18.1 7.4 2.3 27.6 56 63 A Q B < S-H 34 0C 8 -3,-1.3 -23,-0.1 -22,-0.3 -25,-0.1 -0.872 96.6 -82.5-122.6 155.8 5.1 -0.5 28.8 57 64 A F - 0 0 0 -24,-2.5 -25,-2.6 -2,-0.3 -2,-0.1 -0.278 58.9-115.9 -54.5 133.3 2.8 -2.8 26.9 58 65 A G - 0 0 0 -27,-0.2 3,-0.3 22,-0.2 52,-0.2 0.019 28.7 -94.5 -70.5 176.9 -0.5 -0.9 26.2 59 66 A D S S+ 0 0 0 50,-1.8 24,-0.2 1,-0.2 25,-0.2 -0.415 92.6 18.4 -91.2 167.8 -3.9 -1.6 27.5 60 67 A N S S- 0 0 0 22,-0.2 23,-2.2 23,-0.1 24,-0.2 0.843 79.7-147.8 38.6 61.6 -6.8 -3.5 26.0 61 68 A N E +I 82 0D 0 -3,-0.3 21,-0.3 481,-0.2 504,-0.1 -0.209 31.0 157.2 -57.2 141.5 -4.7 -5.5 23.4 62 69 A D E + 0 0 2 19,-2.3 111,-0.2 1,-0.5 110,-0.1 -0.054 42.9 22.2-137.3-124.5 -6.7 -6.2 20.3 63 70 A G E + 0 0 0 109,-2.4 18,-3.4 465,-0.2 -1,-0.5 -0.182 67.1 172.7 -57.8 145.5 -5.7 -7.0 16.6 64 71 A M E -I 80 0D 1 465,-0.3 465,-0.5 16,-0.2 2,-0.3 -0.995 21.2-158.9-155.1 152.0 -2.2 -8.4 16.1 65 72 A S E -I 79 0D 9 14,-2.2 14,-2.3 -2,-0.3 2,-0.4 -0.975 13.0-141.1-132.5 148.3 0.1 -9.9 13.5 66 73 A L E -I 78 0D 12 -2,-0.3 2,-0.5 12,-0.2 12,-0.2 -0.901 13.2-159.1-109.2 136.3 3.2 -12.1 13.8 67 74 A F E -I 77 0D 5 10,-3.4 10,-2.4 -2,-0.4 2,-0.1 -0.979 18.4-125.7-116.8 123.7 6.2 -11.5 11.5 68 75 A E E -I 76 0D 117 -2,-0.5 8,-0.2 8,-0.2 5,-0.1 -0.381 23.4-123.3 -61.5 146.1 8.7 -14.3 10.9 69 76 A F E > -I 72 0D 27 6,-1.2 3,-1.9 3,-0.5 6,-0.2 -0.810 31.8-110.5 -93.3 121.3 12.3 -13.3 11.5 70 77 A P T 3 S- 0 0 106 0, 0.0 -1,-0.0 0, 0.0 6,-0.0 -0.354 97.2 -0.3 -56.1 126.8 14.5 -13.9 8.4 71 78 A G T 3 S+ 0 0 84 1,-0.0 2,-0.3 2,-0.0 -3,-0.0 0.455 115.7 87.8 77.1 5.3 16.9 -16.8 9.0 72 79 A E E X -I 69 0D 103 -3,-1.9 3,-1.6 3,-0.2 -3,-0.5 -0.790 46.4-176.9-140.8 96.3 15.8 -17.6 12.6 73 80 A K E 3 S+ 0 0 166 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.656 86.1 59.8 -63.2 -21.8 12.9 -20.0 13.2 74 81 A N E 3 S+ 0 0 64 44,-0.1 45,-2.3 45,-0.0 2,-0.3 0.256 100.5 64.2 -94.4 12.9 13.1 -19.3 17.0 75 82 A R E < + J 0 118D 64 -3,-1.6 -6,-1.2 43,-0.2 2,-0.3 -0.968 54.4 158.1-130.9 151.5 12.5 -15.6 16.7 76 83 A A E -IJ 68 117D 0 41,-2.2 41,-2.6 -2,-0.3 2,-0.4 -0.975 30.1-128.6-157.5 165.4 9.6 -13.5 15.6 77 84 A L E -IJ 67 116D 0 -10,-2.4 -10,-3.4 -2,-0.3 2,-0.4 -0.900 17.9-161.2-114.3 147.9 8.1 -10.0 16.0 78 85 A M E -IJ 66 115D 0 37,-2.7 37,-2.7 -2,-0.4 2,-0.5 -0.999 6.1-158.4-127.3 133.9 4.5 -9.3 17.0 79 86 A A E -IJ 65 114D 0 -14,-2.3 -14,-2.2 -2,-0.4 2,-0.4 -0.972 20.5-174.4-111.8 119.3 2.7 -6.0 16.4 80 87 A I E -IJ 64 113D 0 33,-2.6 33,-3.0 -2,-0.5 -16,-0.2 -0.981 18.3-132.1-126.0 123.3 -0.2 -5.8 18.8 81 88 A N E - 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