==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 12-JUL-04 1U05 . COMPND 2 MOLECULE: ORF, CONSERVED HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR J.SEETHARAMAN,S.SWAMINATHAN,S.K.BURLEY,NEW YORK SGX . 486 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 2 0.4 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 . 47 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 1 2 2 0 1 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 0 4 4 4 0 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 1 1 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 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 1 A M 0 0 152 0, 0.0 2,-0.5 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 22.4 29.1 35.3 -9.7 2 2 A S - 0 0 29 22,-0.3 2,-0.4 51,-0.1 22,-0.2 -0.474 360.0-144.3 -64.2 113.9 32.0 37.4 -8.6 3 3 A K - 0 0 100 -2,-0.5 18,-0.8 20,-0.4 2,-0.4 -0.699 19.1-169.0 -84.6 130.3 30.6 40.6 -7.1 4 4 A L E -A 20 0A 43 -2,-0.4 2,-0.3 16,-0.1 16,-0.2 -0.979 17.4-132.3-127.9 126.2 32.7 43.6 -7.8 5 5 A I E -A 19 0A 26 14,-2.3 14,-2.2 -2,-0.4 -2,-0.0 -0.556 15.5-156.9 -77.1 135.3 32.5 47.1 -6.3 6 6 A V - 0 0 93 -2,-0.3 12,-0.1 12,-0.2 -1,-0.0 -0.962 26.1-115.0-116.2 114.6 32.6 50.0 -8.7 7 7 A P - 0 0 7 0, 0.0 2,-1.5 0, 0.0 4,-0.2 -0.208 21.3-130.9 -49.4 122.4 33.7 53.3 -7.1 8 8 A Q + 0 0 153 2,-0.1 204,-0.3 3,-0.0 -2,-0.0 -0.605 65.8 105.9 -80.2 87.4 31.0 56.0 -7.2 9 9 A W S S- 0 0 24 -2,-1.5 2,-3.4 202,-0.1 143,-0.0 -0.973 87.9 -81.6-156.3 163.3 32.8 58.9 -8.6 10 10 A P - 0 0 85 0, 0.0 -2,-0.1 0, 0.0 140,-0.0 -0.281 55.5-159.0 -69.7 62.6 33.1 60.9 -11.9 11 11 A L - 0 0 76 -2,-3.4 2,-0.1 -4,-0.2 104,-0.0 -0.143 18.5-117.4 -44.2 123.8 35.4 58.3 -13.4 12 12 A P > - 0 0 13 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 -0.409 26.4-104.1 -70.2 148.2 37.4 60.0 -16.2 13 13 A K T 3 S+ 0 0 217 1,-0.3 104,-0.1 102,-0.2 103,-0.1 0.772 117.7 40.8 -37.3 -49.5 36.9 58.6 -19.7 14 14 A G T 3 S+ 0 0 25 102,-0.2 229,-3.4 229,-0.1 2,-0.4 0.077 100.8 90.5 -95.7 27.1 40.2 56.8 -20.0 15 15 A V E < - B 0 242A 3 -3,-2.5 2,-0.4 227,-0.3 227,-0.2 -0.960 48.5-174.3-124.5 141.1 40.2 55.4 -16.4 16 16 A A E + B 0 241A 22 225,-2.1 225,-1.4 -2,-0.4 2,-0.3 -0.999 9.8 175.3-133.0 135.3 38.9 52.1 -15.0 17 17 A A E + B 0 240A 12 -2,-0.4 2,-0.3 223,-0.2 223,-0.2 -0.998 5.2 170.3-143.4 144.7 38.7 51.1 -11.4 18 18 A C E - B 0 239A 7 221,-2.5 221,-3.6 -2,-0.3 2,-0.4 -0.997 15.7-157.5-153.5 148.1 37.4 48.3 -9.2 19 19 A S E -AB 5 238A 3 -14,-2.2 -14,-2.3 -2,-0.3 219,-0.2 -0.994 24.3-131.4-127.8 135.5 37.6 47.0 -5.6 20 20 A S E -A 4 0A 1 217,-2.7 2,-0.2 -2,-0.4 -16,-0.1 -0.404 12.2-156.9 -91.1 162.3 36.9 43.4 -4.7 21 21 A T - 0 0 6 -18,-0.8 203,-0.2 2,-0.3 214,-0.1 -0.705 38.2 -99.4-123.5 176.1 34.8 41.6 -2.1 22 22 A R S S+ 0 0 7 201,-3.0 12,-0.8 -2,-0.2 3,-0.4 0.358 88.5 105.7 -81.2 10.7 35.0 38.2 -0.5 23 23 A I + 0 0 26 200,-0.3 -20,-0.4 -20,-0.3 -2,-0.3 -0.686 66.5 19.0-104.2 146.9 32.3 36.9 -2.9 24 24 A G S S+ 0 0 4 -2,-0.3 -22,-0.3 -22,-0.2 -1,-0.2 0.661 88.3 117.6 83.5 20.2 32.3 34.6 -5.9 25 25 A G - 0 0 12 -3,-0.4 9,-0.1 -24,-0.1 -1,-0.1 0.133 66.4-121.7 -95.6-146.7 35.7 32.9 -5.4 26 26 A V + 0 0 45 7,-0.6 6,-0.1 20,-0.2 21,-0.1 0.377 66.4 112.9-141.5 -1.2 36.7 29.3 -4.8 27 27 A S B -E 33 0B 7 6,-0.5 6,-0.8 4,-0.3 -2,-0.1 -0.334 56.5-131.1 -75.7 158.9 38.6 29.3 -1.5 28 28 A L > - 0 0 110 4,-0.3 3,-2.3 1,-0.2 15,-0.1 -0.655 47.6 -29.9-107.0 164.1 37.3 27.6 1.7 29 29 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 204,-0.1 -0.158 125.2 28.3 -49.7 145.2 37.0 28.9 5.3 30 30 A P T 3 S+ 0 0 59 0, 0.0 204,-0.6 0, 0.0 12,-0.1 -0.955 139.7 33.3 -82.6 12.7 38.7 30.9 6.7 31 31 A Y S < S+ 0 0 25 -3,-2.3 4,-0.3 202,-0.2 -4,-0.3 0.168 84.4 174.4-112.5 26.7 39.2 32.4 3.3 32 32 A D - 0 0 17 2,-0.1 -4,-0.3 -6,-0.1 2,-0.2 0.101 51.2 -11.9 -46.5 105.2 35.9 31.5 1.9 33 33 A S B S+E 27 0B 24 -6,-0.8 2,-2.6 -2,-0.2 -7,-0.6 -0.367 121.6 16.7-125.2 -83.5 35.4 32.8 -1.5 34 34 A L + 0 0 0 -12,-0.8 2,-0.7 -2,-0.2 -11,-0.1 0.039 65.0 164.9 -76.4 63.3 37.5 35.4 -3.4 35 35 A N + 0 0 0 -2,-2.6 16,-0.2 -4,-0.3 15,-0.2 -0.739 11.1 177.6 -86.7 114.0 40.8 35.5 -1.5 36 36 A L + 0 0 0 199,-2.0 2,-0.3 -2,-0.7 -1,-0.1 0.614 47.7 104.4 -89.6 -13.6 43.4 37.3 -3.7 37 37 A G - 0 0 2 198,-0.3 3,-0.4 1,-0.1 5,-0.3 -0.511 48.2-169.2 -75.2 133.7 46.2 37.2 -1.1 38 38 A A S S+ 0 0 52 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.233 80.8 59.4-102.2 12.4 48.9 34.6 -1.6 39 39 A H S S+ 0 0 179 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.031 80.5 76.8-130.6 29.5 50.4 35.1 1.9 40 40 A C S S- 0 0 21 -3,-0.4 -1,-0.1 192,-0.0 -2,-0.1 0.301 110.0 -93.5-120.1 8.4 47.7 34.3 4.4 41 41 A G S S+ 0 0 63 1,-0.2 -3,-0.1 -3,-0.1 193,-0.1 0.503 73.4 146.3 97.4 5.5 47.9 30.5 4.2 42 42 A D - 0 0 20 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.0 -0.173 65.0 -78.9 -72.4 165.5 45.2 29.8 1.6 43 43 A N >> - 0 0 71 1,-0.2 4,-1.8 -15,-0.1 3,-1.2 -0.547 44.2-138.1 -65.4 112.4 45.3 27.0 -1.0 44 44 A P H 3> S+ 0 0 93 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.666 99.0 50.6 -47.8 -27.1 47.7 28.4 -3.6 45 45 A D H 3> S+ 0 0 120 2,-0.2 4,-2.2 1,-0.1 5,-0.1 0.802 107.1 54.1 -82.9 -31.4 45.7 27.2 -6.6 46 46 A H H <> S+ 0 0 45 -3,-1.2 4,-3.3 2,-0.2 5,-0.2 0.929 105.4 53.2 -65.8 -44.0 42.5 28.7 -5.3 47 47 A V H X S+ 0 0 3 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.845 109.6 49.4 -59.8 -34.7 44.2 32.0 -5.0 48 48 A E H X S+ 0 0 111 -4,-0.8 4,-2.9 2,-0.2 -1,-0.2 0.900 111.1 49.2 -70.5 -41.3 45.2 31.7 -8.6 49 49 A E H X S+ 0 0 61 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.943 111.4 49.2 -62.4 -47.3 41.6 30.8 -9.6 50 50 A N H X S+ 0 0 0 -4,-3.3 4,-2.5 -15,-0.2 -2,-0.2 0.917 113.9 45.9 -59.0 -44.7 40.3 33.8 -7.6 51 51 A R H X S+ 0 0 37 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.926 111.5 51.1 -64.0 -45.8 42.7 36.2 -9.3 52 52 A K H X S+ 0 0 138 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.880 113.7 47.0 -58.5 -37.9 42.0 34.7 -12.7 53 53 A R H X S+ 0 0 83 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.883 112.6 46.5 -73.5 -39.8 38.3 35.3 -12.0 54 54 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.842 108.3 55.3 -73.3 -33.2 38.6 38.8 -10.7 55 55 A F H X>S+ 0 0 39 -4,-2.5 5,-2.0 2,-0.2 4,-0.6 0.918 111.9 45.0 -64.6 -39.9 40.8 40.0 -13.5 56 56 A A H ><5S+ 0 0 70 -4,-1.3 3,-1.2 -5,-0.2 -2,-0.2 0.941 112.3 50.8 -66.8 -48.2 38.2 38.8 -16.0 57 57 A A H 3<5S+ 0 0 44 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.880 115.4 43.9 -56.3 -39.1 35.4 40.3 -14.0 58 58 A G H 3<5S- 0 0 13 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.496 101.5-131.6 -87.9 -2.5 37.3 43.6 -13.9 59 59 A N T <<5 - 0 0 134 -3,-1.2 -3,-0.2 -4,-0.6 -4,-0.1 0.883 36.3-175.0 54.0 40.1 38.4 43.6 -17.6 60 60 A L < - 0 0 21 -5,-2.0 -1,-0.2 -6,-0.2 3,-0.1 -0.479 25.8-141.4 -67.2 134.8 41.9 44.4 -16.4 61 61 A P S S- 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.824 78.7 -7.2 -66.8 -29.5 44.1 44.9 -19.5 62 62 A S S S- 0 0 55 35,-0.2 3,-0.1 -7,-0.0 35,-0.0 -0.947 95.0 -59.6-155.5 173.6 47.0 43.1 -17.7 63 63 A K - 0 0 177 -2,-0.3 36,-0.5 1,-0.1 2,-0.0 -0.357 60.6-107.3 -62.8 135.9 48.1 41.5 -14.5 64 64 A P - 0 0 10 0, 0.0 2,-1.6 0, 0.0 36,-0.2 -0.311 24.5-120.3 -63.8 144.8 48.2 44.0 -11.5 65 65 A V - 0 0 25 34,-2.3 36,-0.5 -3,-0.1 2,-0.1 -0.653 34.9-155.5 -90.2 83.2 51.7 45.1 -10.3 66 66 A W - 0 0 50 -2,-1.6 2,-0.1 34,-0.1 36,-0.1 -0.329 6.2-145.1 -60.4 135.0 51.4 43.7 -6.8 67 67 A L - 0 0 19 34,-0.4 2,-1.0 -2,-0.1 20,-0.2 -0.419 22.0-111.1 -95.0 172.4 53.7 45.5 -4.3 68 68 A E B -f 87 0C 105 18,-2.3 20,-2.3 -2,-0.1 2,-0.6 -0.889 42.6-149.4-101.9 92.6 55.5 44.1 -1.3 69 69 A Q + 0 0 48 -2,-1.0 20,-0.2 18,-0.2 18,-0.1 -0.580 30.6 166.9 -71.4 115.9 53.3 46.0 1.2 70 70 A V - 0 0 62 -2,-0.6 -1,-0.1 18,-0.0 19,-0.1 0.062 56.0-110.7-115.3 21.5 55.4 46.8 4.3 71 71 A H S S+ 0 0 98 17,-0.2 58,-0.2 1,-0.1 -2,-0.1 0.751 81.2 121.3 54.6 28.6 52.9 49.3 5.8 72 72 A G S S- 0 0 23 2,-0.1 54,-0.2 56,-0.1 62,-0.1 0.121 74.2-106.5 -95.2-146.2 55.3 52.1 5.1 73 73 A K + 0 0 60 60,-0.1 2,-0.3 59,-0.1 64,-0.1 0.090 66.1 130.8-137.0 23.3 54.7 55.2 3.0 74 74 A D - 0 0 75 63,-0.0 15,-2.1 2,-0.0 16,-0.6 -0.639 43.6-148.6 -85.9 137.9 56.8 54.6 -0.2 75 75 A V E -g 90 0D 28 -2,-0.3 2,-0.7 13,-0.2 16,-0.2 -0.895 4.9-149.9-105.9 130.4 55.2 55.0 -3.6 76 76 A L E -g 91 0D 25 14,-3.0 16,-1.5 -2,-0.5 2,-0.5 -0.879 8.9-145.8-105.1 106.9 56.4 52.9 -6.5 77 77 A K E -g 92 0D 108 -2,-0.7 2,-2.4 14,-0.2 3,-0.3 -0.586 14.1-137.6 -71.9 117.9 56.2 54.6 -9.9 78 78 A L + 0 0 2 14,-2.8 16,-0.2 -2,-0.5 3,-0.2 -0.349 49.2 146.7 -77.2 61.6 55.3 51.8 -12.4 79 79 A T - 0 0 114 -2,-2.4 -1,-0.2 1,-0.2 2,-0.2 0.694 69.4 -15.7 -72.0 -20.9 57.7 53.0 -15.1 80 80 A G - 0 0 27 -3,-0.3 -1,-0.2 1,-0.1 -3,-0.0 -0.695 62.6-106.3 172.5 133.6 58.5 49.5 -16.3 81 81 A E S S+ 0 0 177 -2,-0.2 2,-1.8 -3,-0.2 -1,-0.1 0.686 98.5 85.9 -33.1 -37.4 58.2 45.8 -15.5 82 82 A P + 0 0 123 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.535 65.5 163.2 -75.9 88.2 62.0 45.6 -14.8 83 83 A Y - 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0 0 28 -3,-1.2 2,-0.6 -37,-0.1 144,-0.5 -0.534 56.5-138.2 -72.5 130.6 49.4 49.2 -16.4 99 99 A V E -D 241 0A 0 -36,-0.5 -34,-2.3 -2,-0.3 2,-0.5 -0.797 7.5-155.2-100.7 116.5 47.4 48.1 -13.3 100 100 A C E +D 240 0A 0 140,-3.0 140,-2.3 -2,-0.6 2,-0.4 -0.749 25.4 176.1 -84.6 124.2 47.8 49.8 -9.9 101 101 A A E -D 239 0A 0 -2,-0.5 -34,-0.4 -36,-0.5 2,-0.4 -0.995 19.5-171.6-136.9 140.4 46.8 47.4 -7.2 102 102 A V E -D 238 0A 0 136,-1.8 136,-2.2 -2,-0.4 2,-0.5 -0.993 18.1-140.5-128.8 136.0 46.8 47.5 -3.4 103 103 A M E +D 237 0A 27 -2,-0.4 2,-0.3 134,-0.2 134,-0.2 -0.857 32.3 162.7-101.4 122.3 46.0 44.4 -1.2 104 104 A T E +D 236 0A 5 132,-2.4 132,-3.4 -2,-0.5 121,-0.2 -0.879 37.0 176.4-139.0 169.3 43.9 45.0 1.9 105 105 A A S S- 0 0 9 -2,-0.3 122,-2.6 130,-0.2 123,-0.4 -0.233 97.6 -18.6-166.2 55.4 41.7 43.5 4.7 106 106 A D S S+ 0 0 13 1,-0.6 51,-2.1 49,-0.4 111,-0.2 -0.369 108.1 105.8 133.3 -47.3 40.9 46.5 7.0 107 107 A C S S- 0 0 30 49,-0.2 -1,-0.6 1,-0.1 19,-0.2 -0.183 84.0 -88.8 -59.8 155.6 43.6 49.0 6.0 108 108 A L E -I 125 0D 0 17,-1.6 17,-3.3 48,-0.1 2,-0.4 -0.523 36.1-158.6 -74.3 120.4 42.5 51.9 3.9 109 109 A P E -I 124 0D 0 0, 0.0 45,-3.4 0, 0.0 2,-0.4 -0.815 14.1-175.8 -96.2 135.3 42.6 51.4 0.1 110 110 A V E -IJ 123 153D 0 13,-2.4 13,-2.8 -2,-0.4 2,-0.4 -0.992 10.3-162.1-136.1 131.1 42.7 54.7 -1.8 111 111 A L E -IJ 122 152D 0 41,-2.3 41,-2.4 -2,-0.4 2,-0.3 -0.893 9.6-169.5-110.9 140.4 42.6 55.2 -5.5 112 112 A F E +IJ 121 151D 0 9,-3.4 9,-2.2 -2,-0.4 2,-0.3 -0.936 13.4 156.9-129.6 151.5 43.7 58.4 -7.3 113 113 A C E -IJ 120 150D 0 37,-1.3 37,-2.9 -2,-0.3 2,-0.2 -0.926 36.5-113.8-168.9 144.8 43.4 59.7 -10.8 114 114 A N E > - 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