==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-OCT-04 1XPJ . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR J.S.BRUNZELLE,G.MINASOV,L.SHUVALOVA,F.R.COLLART,W.F.ANDERSON . 493 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 34 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 4.1 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 0 0 4 4 0 3 4 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 6 6 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 . 6 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 0 126 0, 0.0 464,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 115.3 22.0 -18.2 43.2 2 2 A K - 0 0 58 38,-0.4 40,-2.5 462,-0.1 2,-0.4 -0.998 360.0-174.8-138.7 132.6 22.8 -15.4 45.7 3 3 A K E -a 42 0A 34 460,-2.4 465,-1.6 -2,-0.4 2,-0.5 -0.962 21.3-145.5-129.3 141.9 24.1 -11.9 45.0 4 4 A L E -ab 43 468A 0 38,-2.9 40,-3.1 -2,-0.4 2,-0.7 -0.946 16.6-154.2 -97.0 129.2 25.3 -8.9 47.0 5 5 A I E -ab 44 469A 9 463,-2.6 465,-3.0 -2,-0.5 2,-0.5 -0.937 21.2-168.3-102.3 111.9 24.4 -5.7 45.2 6 6 A V E -ab 45 470A 0 38,-3.4 40,-2.5 -2,-0.7 465,-0.2 -0.903 17.4-141.1-117.9 121.9 27.0 -3.2 46.5 7 7 A D - 0 0 17 463,-2.6 40,-0.2 -2,-0.5 5,-0.1 -0.245 14.1-150.0 -66.3 162.7 27.1 0.5 46.1 8 8 A L S >>>S+ 0 0 1 38,-0.3 4,-2.5 1,-0.2 5,-1.1 0.882 70.0 60.6-104.8 -66.1 30.5 2.1 45.4 9 9 A D T 345S+ 0 0 35 1,-0.2 463,-0.3 2,-0.2 -1,-0.2 -0.537 122.1 5.0 -73.5 118.7 30.9 5.6 46.7 10 10 A G T 345S+ 0 0 7 -2,-0.4 -1,-0.2 3,-0.2 461,-0.1 0.187 130.5 59.6 94.5 -16.5 30.4 5.8 50.5 11 11 A T T <45S+ 0 0 0 -3,-0.9 -2,-0.2 459,-0.1 -3,-0.2 0.791 123.4 15.0-106.7 -54.1 30.1 2.0 50.8 12 12 A L T <5S+ 0 0 0 -4,-2.5 14,-2.0 -5,-0.1 2,-0.3 0.585 131.4 54.5 -93.1 -13.5 33.4 0.7 49.4 13 13 A T B - 0 0 75 1,-0.2 3,-0.9 3,-0.1 4,-0.2 -0.616 61.1-168.8 -71.0 97.7 39.5 12.4 42.7 20 20 A Y G > S+ 0 0 73 -2,-1.1 3,-0.9 1,-0.2 -1,-0.2 0.808 81.0 64.6 -62.4 -31.9 38.0 8.9 42.2 21 21 A R G 3 S+ 0 0 109 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.855 113.6 32.1 -47.9 -43.9 41.4 7.5 41.2 22 22 A N G < S+ 0 0 96 -3,-0.9 -1,-0.2 2,-0.0 -2,-0.2 0.178 83.2 134.5-113.9 17.1 42.8 8.3 44.7 23 23 A V < - 0 0 2 -3,-0.9 -3,-0.1 -4,-0.2 -5,-0.0 -0.335 58.6-107.3 -71.8 144.4 39.9 7.8 47.0 24 24 A L - 0 0 85 -2,-0.1 -10,-2.6 1,-0.1 -9,-0.4 -0.539 30.9-120.4 -76.7 138.4 40.5 5.9 50.3 25 25 A P B -E 13 0B 17 0, 0.0 2,-1.0 0, 0.0 -12,-0.2 -0.531 8.0-130.8 -69.9 140.9 39.1 2.4 50.8 26 26 A R > - 0 0 33 -14,-2.0 4,-2.0 -2,-0.2 5,-0.1 -0.868 30.7-172.6 -86.1 91.4 36.7 1.3 53.5 27 27 A L H > S+ 0 0 128 -2,-1.0 4,-2.3 1,-0.2 5,-0.2 0.820 75.4 53.3 -63.4 -40.0 38.8 -1.7 54.5 28 28 A D H > S+ 0 0 93 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 111.2 48.0 -62.5 -41.5 36.4 -3.4 56.9 29 29 A V H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.938 113.1 46.9 -65.3 -48.8 33.6 -3.3 54.3 30 30 A I H X S+ 0 0 4 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.898 109.5 53.9 -59.1 -44.3 35.8 -4.8 51.6 31 31 A E H X S+ 0 0 95 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.888 107.0 52.3 -58.7 -38.7 37.2 -7.5 53.9 32 32 A Q H X S+ 0 0 33 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.888 103.7 57.0 -65.4 -36.8 33.6 -8.5 54.6 33 33 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.884 104.6 53.6 -57.4 -40.5 32.9 -8.7 50.8 34 34 A R H X S+ 0 0 92 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.880 107.2 49.9 -61.4 -41.6 35.8 -11.3 50.7 35 35 A E H X S+ 0 0 104 -4,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.891 111.6 48.3 -66.8 -40.6 34.2 -13.4 53.4 36 36 A Y H <>S+ 0 0 7 -4,-2.1 5,-2.1 2,-0.2 3,-0.4 0.871 106.9 55.6 -67.5 -38.5 30.9 -13.4 51.6 37 37 A H H ><5S+ 0 0 86 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.899 104.7 55.1 -57.4 -38.5 32.6 -14.3 48.3 38 38 A Q H 3<5S+ 0 0 164 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.806 101.9 57.5 -63.0 -30.8 34.0 -17.3 50.3 39 39 A L T 3<5S- 0 0 100 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.401 128.4 -97.4 -79.6 0.9 30.4 -18.3 51.2 40 40 A G T < 5S+ 0 0 49 -3,-1.6 -38,-0.4 1,-0.3 2,-0.3 0.482 75.1 145.2 95.9 3.9 29.5 -18.5 47.5 41 41 A F < - 0 0 5 -5,-2.1 -1,-0.3 -8,-0.1 2,-0.3 -0.576 45.2-133.2 -75.6 135.3 27.9 -15.0 47.1 42 42 A E E -a 3 0A 58 -40,-2.5 -38,-2.9 -2,-0.3 2,-0.6 -0.663 19.2-135.8 -83.0 141.8 28.4 -13.2 43.8 43 43 A I E -a 4 0A 0 -2,-0.3 38,-2.9 -40,-0.2 39,-1.7 -0.892 20.0-174.3-108.7 119.4 29.5 -9.6 44.1 44 44 A V E -ac 5 82A 0 -40,-3.1 -38,-3.4 -2,-0.6 2,-0.6 -0.930 12.8-153.6-114.2 113.1 27.8 -6.9 41.9 45 45 A I E -ac 6 83A 0 37,-2.4 39,-2.8 -2,-0.6 2,-0.4 -0.762 19.3-179.4 -82.9 123.6 29.1 -3.3 42.1 46 46 A S E + c 0 84A 12 -40,-2.5 2,-0.4 -2,-0.6 -38,-0.3 -0.996 7.6 173.4-129.0 123.9 26.2 -1.0 41.1 47 47 A T E - c 0 85A 1 37,-2.2 40,-1.5 -2,-0.4 39,-0.6 -0.993 42.2-156.7-144.6 143.7 26.8 2.7 41.1 48 48 A A > + 0 0 12 -2,-0.4 3,-2.4 38,-0.2 4,-0.4 0.258 49.2 149.1 -88.4 6.1 25.3 6.1 40.1 49 49 A R T 3 S+ 0 0 9 1,-0.3 37,-0.3 2,-0.1 -2,-0.1 -0.172 70.6 4.8 -52.0 130.9 28.8 7.6 39.8 50 50 A N T 3> S+ 0 0 27 1,-0.1 4,-2.3 15,-0.1 -1,-0.3 0.489 91.9 117.3 68.5 8.6 28.9 10.4 37.2 51 51 A M T <4>S+ 0 0 20 -3,-2.4 5,-1.8 2,-0.2 4,-0.4 0.870 81.4 45.8 -65.9 -37.3 25.1 10.3 36.5 52 52 A R T >45S+ 0 0 194 -4,-0.4 3,-1.6 3,-0.2 -1,-0.1 0.995 114.1 47.3 -66.4 -60.7 25.0 13.8 37.8 53 53 A T T 345S+ 0 0 92 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.839 121.3 35.2 -45.6 -48.5 28.0 15.0 35.8 54 54 A Y T ><5S- 0 0 59 -4,-2.3 3,-1.3 3,-0.0 -1,-0.3 0.360 107.2-122.0 -96.9 8.4 26.9 13.4 32.5 55 55 A E T < 5S- 0 0 185 -3,-1.6 -3,-0.2 -4,-0.4 -4,-0.1 0.873 77.0 -44.9 54.8 42.9 23.1 14.1 33.1 56 56 A G T 3 + 0 0 43 -3,-1.3 4,-2.0 -6,-0.2 3,-0.8 -0.568 22.7 177.8 -75.4 92.7 24.3 9.7 29.8 58 58 A V H 3> S+ 0 0 59 -2,-1.4 4,-3.1 1,-0.2 -1,-0.2 0.758 77.8 71.5 -65.0 -22.4 25.6 6.1 30.2 59 59 A G H 34 S+ 0 0 2 2,-0.2 149,-2.0 1,-0.2 4,-0.4 0.886 107.6 34.9 -55.9 -42.0 27.2 6.5 26.8 60 60 A K H X> S+ 0 0 60 -3,-0.8 4,-2.8 147,-0.2 3,-1.0 0.856 113.8 58.0 -77.7 -42.2 29.7 8.9 28.4 61 61 A I H 3X>S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.3 5,-1.9 0.903 101.6 57.0 -55.6 -42.3 29.8 7.0 31.7 62 62 A N H 3<5S+ 0 0 7 -4,-3.1 -1,-0.3 146,-0.3 -2,-0.2 0.786 115.5 37.8 -55.9 -29.7 31.0 3.9 29.8 63 63 A I H <45S+ 0 0 28 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.2 0.904 129.8 22.5 -89.6 -49.5 33.9 6.0 28.4 64 64 A H H <5S+ 0 0 94 -4,-2.8 4,-0.4 2,-0.1 -3,-0.2 0.753 127.9 36.5 -97.4 -27.7 35.0 8.2 31.3 65 65 A T T X5S+ 0 0 3 -4,-1.9 4,-1.7 -5,-0.5 3,-0.2 0.873 104.2 60.3 -97.6 -46.3 33.8 6.5 34.5 66 66 A L H > S+ 0 0 66 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.904 110.0 47.1 -50.2 -47.0 37.9 2.5 33.4 68 68 A I H > S+ 0 0 40 -4,-0.4 4,-2.0 -3,-0.2 -2,-0.2 0.818 110.4 53.2 -68.7 -33.1 38.6 4.4 36.7 69 69 A I H X S+ 0 0 1 -4,-1.7 4,-2.9 -3,-0.2 -1,-0.2 0.958 112.4 42.6 -62.0 -52.8 36.2 2.2 38.7 70 70 A T H X S+ 0 0 32 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.949 113.5 51.7 -63.6 -48.8 37.8 -1.1 37.5 71 71 A E H X S+ 0 0 93 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.913 113.4 45.9 -49.0 -48.1 41.3 0.2 38.0 72 72 A W H X S+ 0 0 4 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.918 111.7 50.3 -65.5 -45.1 40.4 1.3 41.6 73 73 A L H <>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 4,-0.3 0.946 113.9 46.1 -57.7 -49.1 38.7 -2.0 42.4 74 74 A D H ><5S+ 0 0 88 -4,-3.1 3,-1.2 1,-0.2 -2,-0.2 0.893 109.3 54.6 -57.9 -46.4 41.8 -3.9 41.1 75 75 A K H 3<5S+ 0 0 139 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.882 114.2 41.1 -54.3 -41.4 44.2 -1.7 43.0 76 76 A H T 3<5S- 0 0 42 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.293 110.2-118.0 -99.6 10.4 42.4 -2.4 46.3 77 77 A Q T < 5 + 0 0 140 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.902 50.6 168.2 57.1 44.7 41.8 -6.1 45.7 78 78 A V < - 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