==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-APR-06 2GL5 . COMPND 2 MOLECULE: PUTATIVE DEHYDRATASE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR Y.PATSKOVSKY,J.M.SAUDER,M.DICKEY,J.M.ADAMS,S.OZYURT,S.R.WASS . 802 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26694.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 588 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 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 . 57 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 6 0 0 0 1 1 4 4 0 6 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 1 5 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 . 7 2 0 2 0 2 2 0 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 . 0 2 2 0 0 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 0 A S 0 0 133 0, 0.0 2,-0.2 0, 0.0 68,-0.0 0.000 360.0 360.0 360.0 171.6 24.4 45.6 -8.5 2 1 A L - 0 0 14 31,-0.0 2,-0.4 33,-0.0 69,-0.2 -0.497 360.0-160.6-100.2 162.9 27.0 43.7 -6.5 3 2 A K - 0 0 105 66,-0.2 31,-2.1 -2,-0.2 2,-0.4 -0.998 24.1-118.8-142.4 133.8 29.6 41.2 -7.4 4 3 A I E +A 33 0A 1 64,-2.5 63,-2.5 -2,-0.4 29,-0.3 -0.629 30.9 176.6 -71.0 129.2 31.4 38.6 -5.2 5 4 A T E - 0 0 58 27,-2.4 2,-0.3 1,-0.4 28,-0.2 0.735 58.1 -9.2-106.5 -34.0 35.1 39.4 -5.3 6 5 A S E -A 32 0A 15 26,-1.0 26,-3.0 2,-0.0 2,-0.4 -0.984 48.3-143.6-160.2 160.0 36.7 36.8 -2.9 7 6 A I E -AB 31 400A 0 393,-2.2 393,-2.9 -2,-0.3 2,-0.4 -0.988 16.8-156.7-131.2 122.0 35.9 34.2 -0.3 8 7 A E E -AB 30 399A 28 22,-2.8 22,-2.1 -2,-0.4 2,-0.4 -0.788 5.7-156.2 -96.7 140.5 38.1 33.7 2.7 9 8 A V E -AB 29 398A 0 389,-2.7 388,-3.0 -2,-0.4 389,-1.4 -0.988 2.7-159.4-121.9 129.0 38.2 30.4 4.5 10 9 A F E -AB 28 396A 3 18,-3.4 18,-1.7 -2,-0.4 2,-1.0 -0.913 8.1-159.8-113.0 121.3 39.2 30.1 8.2 11 10 A D E -A 27 0A 16 384,-3.0 2,-1.8 -2,-0.5 16,-0.2 -0.849 17.3-157.6-100.4 94.0 40.4 26.8 9.6 12 11 A C + 0 0 0 14,-2.1 2,-1.6 -2,-1.0 3,-0.1 -0.510 15.1 179.8 -85.0 76.0 39.8 27.6 13.3 13 12 A E > - 0 0 38 -2,-1.8 3,-2.2 1,-0.2 4,-0.2 -0.616 6.8-171.9 -77.1 90.7 42.2 25.1 15.0 14 13 A L G >> S+ 0 0 0 -2,-1.6 3,-2.3 10,-0.9 4,-2.0 0.766 73.5 76.1 -64.6 -26.4 41.2 26.3 18.5 15 14 A K G 34 S+ 0 0 106 9,-0.4 -1,-0.3 6,-0.3 7,-0.1 0.691 83.9 68.7 -53.8 -19.6 44.0 24.1 20.1 16 15 A K G <4 S+ 0 0 111 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.687 116.9 20.8 -74.0 -20.4 46.4 26.8 18.8 17 16 A R T <4 S+ 0 0 105 -3,-2.3 -2,-0.2 1,-0.2 2,-0.2 0.479 138.6 27.0-123.8 -15.2 45.1 29.4 21.3 18 17 A D >< - 0 0 41 -4,-2.0 3,-2.1 1,-0.1 -1,-0.2 -0.724 56.6-166.1-157.4 99.3 43.4 27.1 23.9 19 18 A Q G > S+ 0 0 163 1,-0.3 3,-0.7 -2,-0.2 -4,-0.1 0.633 88.4 68.8 -67.3 -13.2 44.7 23.5 24.4 20 19 A T G 3 S+ 0 0 86 1,-0.2 -1,-0.3 -6,-0.1 3,-0.3 0.681 96.7 53.9 -72.5 -18.7 41.5 22.7 26.4 21 20 A M G X + 0 0 6 -3,-2.1 3,-1.6 1,-0.2 -6,-0.3 -0.081 65.9 124.5-110.7 34.7 39.4 23.0 23.1 22 21 A S T < + 0 0 76 -3,-0.7 -1,-0.2 1,-0.3 -7,-0.1 0.568 65.6 66.2 -75.8 -10.8 41.4 20.5 21.0 23 22 A S T 3 S+ 0 0 95 -3,-0.3 25,-0.4 -9,-0.0 2,-0.4 0.503 97.7 72.2 -80.6 -4.3 38.2 18.5 20.2 24 23 A Y < + 0 0 48 -3,-1.6 -10,-0.9 23,-0.1 -9,-0.4 -0.917 45.0 165.7-127.7 140.9 36.9 21.5 18.3 25 24 A N - 0 0 24 21,-2.3 -12,-0.2 -2,-0.4 20,-0.1 -0.604 19.2-160.7-154.6 77.0 37.7 23.1 15.0 26 25 A P - 0 0 0 0, 0.0 -14,-2.1 0, 0.0 2,-0.5 -0.192 8.7-146.8 -54.7 151.9 35.1 25.6 13.7 27 26 A V E -AC 11 43A 0 16,-0.6 16,-2.7 -16,-0.2 2,-0.3 -0.970 22.1-179.9-126.2 114.5 35.3 26.4 10.0 28 27 A L E -AC 10 42A 0 -18,-1.7 -18,-3.4 -2,-0.5 2,-0.3 -0.802 9.0-164.9-112.6 153.7 34.3 29.9 9.1 29 28 A I E -AC 9 41A 0 12,-2.4 12,-2.1 -2,-0.3 2,-0.4 -0.953 8.4-156.3-129.4 160.0 34.1 31.8 5.8 30 29 A R E -AC 8 40A 40 -22,-2.1 -22,-2.8 -2,-0.3 2,-0.6 -0.992 8.8-156.3-132.4 128.9 33.8 35.5 4.7 31 30 A V E -AC 7 39A 0 8,-3.0 8,-2.3 -2,-0.4 2,-0.3 -0.920 14.6-161.2-106.0 120.9 32.3 36.4 1.3 32 31 A N E -AC 6 38A 23 -26,-3.0 -27,-2.4 -2,-0.6 -26,-1.0 -0.723 3.7-161.6-105.9 152.5 33.5 39.8 0.1 33 32 A T E > -A 4 0A 8 4,-1.0 3,-1.2 -29,-0.3 -29,-0.2 -0.834 34.6-108.5-126.9 166.7 31.9 42.0 -2.6 34 33 A D T 3 S+ 0 0 93 -31,-2.1 -30,-0.1 -2,-0.3 -32,-0.0 0.461 115.3 62.0 -74.1 -1.8 33.0 44.9 -4.8 35 34 A S T 3 S- 0 0 63 2,-0.3 -1,-0.2 -32,-0.2 3,-0.1 0.581 116.8-109.7 -92.5 -14.1 30.7 47.3 -2.7 36 35 A G S < S+ 0 0 62 -3,-1.2 2,-0.3 1,-0.4 -2,-0.1 0.222 79.0 130.0 95.0 -13.4 32.7 46.6 0.4 37 36 A L - 0 0 46 -5,-0.1 -4,-1.0 71,-0.0 -1,-0.4 -0.588 36.6-173.1 -70.2 133.2 29.9 44.7 2.0 38 37 A S E -C 32 0A 26 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.909 10.5-157.3-125.6 155.5 30.9 41.3 3.4 39 38 A G E -C 31 0A 0 -8,-2.3 -8,-3.0 -2,-0.3 2,-0.3 -0.964 8.6-143.2-128.3 150.3 29.0 38.4 4.8 40 39 A I E +C 30 0A 5 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.876 19.2 174.0-116.1 148.7 30.1 35.6 7.1 41 40 A G E -C 29 0A 0 -12,-2.1 -12,-2.4 -2,-0.3 2,-0.4 -0.869 18.0-136.5-140.7 176.0 29.2 31.9 7.2 42 41 A E E -C 28 0A 1 -2,-0.3 2,-0.6 -14,-0.2 -14,-0.2 -1.000 8.7-142.7-144.4 133.5 30.0 28.7 9.0 43 42 A V E -C 27 0A 0 -16,-2.7 2,-2.2 -2,-0.4 -16,-0.6 -0.890 27.9-134.5 -93.5 119.2 30.5 25.1 7.9 44 43 A G S S+ 0 0 6 256,-2.7 3,-0.2 -2,-0.6 257,-0.1 -0.139 76.5 101.8 -80.3 50.5 29.0 23.0 10.7 45 44 A L + 0 0 0 -2,-2.2 -1,-0.2 1,-0.1 6,-0.2 -0.227 33.0 129.9-122.7 41.5 31.8 20.4 11.1 46 45 A A S S+ 0 0 2 281,-0.3 -21,-2.3 4,-0.1 2,-0.3 0.644 72.4 35.6 -73.4 -16.3 33.4 21.8 14.3 47 46 A Y S S+ 0 0 20 -23,-0.2 -23,-0.1 -3,-0.2 439,-0.0 -0.886 102.1 24.0-136.8 166.6 33.3 18.4 16.0 48 47 A G S > S- 0 0 32 -25,-0.4 2,-0.9 -2,-0.3 3,-0.5 -0.187 111.0 -34.1 64.6-166.6 33.8 14.8 14.9 49 48 A A T 3 S+ 0 0 8 437,-2.1 439,-0.2 1,-0.2 413,-0.1 -0.735 112.0 72.6 -92.5 107.2 35.7 13.8 11.8 50 49 A G T 3> + 0 0 1 -2,-0.9 4,-2.2 -5,-0.2 -1,-0.2 0.467 46.6 106.8 177.3 -20.0 35.2 16.5 9.2 51 50 A A H <> S+ 0 0 8 -3,-0.5 4,-2.1 1,-0.2 5,-0.2 0.885 89.3 46.0 -53.8 -47.2 36.8 19.9 9.7 52 51 A K H > S+ 0 0 20 406,-0.2 4,-2.2 1,-0.2 407,-0.3 0.860 111.3 52.8 -71.1 -31.8 39.5 19.5 7.0 53 52 A A H > S+ 0 0 0 405,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.904 108.1 53.5 -62.5 -38.4 36.8 18.2 4.6 54 53 A G H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.881 107.3 48.8 -64.8 -41.5 34.8 21.3 5.4 55 54 A V H X S+ 0 0 4 -4,-2.1 4,-1.5 1,-0.2 3,-0.5 0.954 112.7 50.4 -58.4 -47.5 37.8 23.6 4.5 56 55 A G H X S+ 0 0 3 -4,-2.2 4,-1.8 398,-0.2 399,-0.6 0.882 102.3 57.8 -59.6 -43.0 38.1 21.7 1.3 57 56 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 397,-0.3 5,-0.2 0.850 104.0 53.8 -62.7 -29.1 34.5 21.9 0.2 58 57 A I H X S+ 0 0 0 -4,-1.1 4,-2.6 -3,-0.5 -1,-0.2 0.905 106.1 52.4 -72.1 -36.2 34.8 25.7 0.3 59 58 A R H < S+ 0 0 63 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.844 113.4 46.0 -58.6 -35.8 37.8 25.5 -2.0 60 59 A D H < S+ 0 0 22 -4,-1.8 -2,-0.2 2,-0.1 4,-0.2 0.878 122.1 32.4 -75.4 -40.5 35.6 23.4 -4.3 61 60 A L H >< S+ 0 0 0 -4,-2.5 3,-1.4 -5,-0.1 4,-0.4 0.857 103.8 69.9 -89.8 -38.3 32.5 25.6 -4.2 62 61 A A G >X S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 4,-1.1 0.840 92.2 58.2 -50.1 -45.7 33.8 29.1 -3.9 63 62 A P G 34 S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.750 97.5 64.5 -59.6 -24.1 35.4 29.4 -7.4 64 63 A L G <4 S+ 0 0 72 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.1 0.651 110.8 33.9 -75.0 -15.4 32.0 28.7 -8.9 65 64 A I T X4 S+ 0 0 5 -3,-1.8 3,-2.2 -4,-0.4 -61,-0.3 0.478 80.7 118.9-123.8 -4.6 30.5 32.0 -7.5 66 65 A V T 3< S+ 0 0 38 -4,-1.1 -61,-0.2 1,-0.3 3,-0.1 -0.463 86.2 23.7 -54.8 127.6 33.4 34.4 -7.6 67 66 A G T 3 S+ 0 0 29 -63,-2.5 -1,-0.3 1,-0.3 2,-0.1 0.260 101.4 117.8 95.2 -10.1 32.2 37.1 -10.0 68 67 A E S < S- 0 0 103 -3,-2.2 -64,-2.5 -65,-0.1 -1,-0.3 -0.433 74.9 -98.1 -93.1 163.7 28.5 36.4 -9.4 69 68 A D > - 0 0 41 -66,-0.2 3,-1.3 1,-0.1 -66,-0.2 -0.693 27.7-155.1 -81.2 116.8 25.7 38.6 -7.9 70 69 A P T 3 S+ 0 0 0 0, 0.0 39,-0.1 0, 0.0 -1,-0.1 0.684 84.4 73.6 -70.7 -15.6 25.3 37.6 -4.3 71 70 A L T 3 S+ 0 0 29 1,-0.2 2,-1.9 -69,-0.2 3,-0.3 0.700 76.1 80.2 -71.4 -18.0 21.7 38.8 -4.2 72 71 A N <> + 0 0 75 -3,-1.3 4,-2.2 1,-0.2 -1,-0.2 -0.466 55.9 155.2 -89.7 67.3 20.5 35.8 -6.2 73 72 A I H > + 0 0 8 -2,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.913 67.7 47.7 -66.9 -45.7 20.5 33.5 -3.3 74 73 A E H > S+ 0 0 108 -3,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.927 113.3 50.4 -60.7 -44.2 17.9 30.9 -4.5 75 74 A K H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 111.1 47.9 -61.0 -42.8 19.6 30.8 -7.9 76 75 A I H X S+ 0 0 15 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.931 112.6 48.7 -65.2 -46.8 23.0 30.2 -6.3 77 76 A W H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.941 112.7 47.9 -53.8 -51.0 21.6 27.5 -4.0 78 77 A E H X S+ 0 0 65 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.861 108.7 54.1 -64.7 -35.3 19.9 25.7 -6.9 79 78 A F H X S+ 0 0 37 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.922 109.7 47.6 -65.1 -42.2 23.0 25.9 -9.0 80 79 A F H < S+ 0 0 2 -4,-2.2 4,-0.4 1,-0.2 7,-0.3 0.884 115.0 47.2 -63.0 -38.6 25.0 24.2 -6.2 81 80 A F H < S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.936 126.6 25.3 -64.5 -44.8 22.2 21.6 -6.0 82 81 A R H < S+ 0 0 41 -4,-2.8 3,-0.2 5,-0.1 -2,-0.2 0.716 121.4 41.8 -94.6 -33.9 21.9 20.9 -9.7 83 82 A K S < S+ 0 0 15 -4,-2.9 -1,-0.1 -5,-0.2 -3,-0.1 0.026 97.7 67.4-122.2 23.4 25.2 21.7 -11.6 84 83 A T S S- 0 0 2 -4,-0.4 2,-2.3 -3,-0.2 367,-2.0 0.292 89.4-132.6-119.7 2.1 28.0 20.3 -9.4 85 84 A F S > S+ 0 0 5 500,-0.4 3,-1.3 -3,-0.2 365,-0.1 -0.437 99.8 60.4 68.1 -60.7 27.2 16.6 -9.8 86 85 A W G > S+ 0 0 0 -2,-2.3 3,-1.8 1,-0.3 408,-0.2 0.675 82.9 78.1 -76.0 -12.6 27.5 16.0 -6.0 87 86 A G G 3 S+ 0 0 0 -7,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.761 94.5 51.5 -67.0 -24.7 24.7 18.4 -5.1 88 87 A M G < S+ 0 0 5 -3,-1.3 -1,-0.3 1,-0.2 569,-0.3 0.294 125.4 25.1 -96.0 11.0 22.2 15.8 -6.1 89 88 A G S < S+ 0 0 2 -3,-1.8 405,-0.4 566,-0.1 -1,-0.2 -0.205 95.2 133.4-158.6 55.8 23.8 13.1 -4.0 90 89 A G - 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