==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-APR-12 4EUY . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR I.G.SHABALIN,O.KAGAN,M.CHRUSZCZ,M.GRABOWSKI,A.SAVCHENKO,A.JO . 86 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 17.4 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 . 1 1.2 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 . 13 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 23.3 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+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 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 9 A E 0 0 132 0, 0.0 4,-0.0 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 -11.0 7.1 12.8 31.5 2 10 A L + 0 0 102 2,-0.1 4,-0.1 1,-0.1 3,-0.1 0.646 360.0 32.1-108.0 -27.9 4.5 15.1 29.7 3 11 A A S S+ 0 0 75 2,-0.1 -1,-0.1 1,-0.1 5,-0.0 -0.257 92.0 96.0-115.4 36.6 6.7 16.3 26.8 4 12 A T S S+ 0 0 78 2,-0.2 -1,-0.1 3,-0.1 -2,-0.1 0.542 83.6 56.2 -81.3 -21.6 8.5 12.9 26.9 5 13 A Y S > S+ 0 0 70 1,-0.2 3,-1.0 2,-0.1 -2,-0.1 0.833 105.2 46.6 -71.4 -42.7 5.9 12.3 24.1 6 14 A I T 3 S+ 0 0 73 1,-0.3 3,-0.2 -4,-0.1 -2,-0.2 0.574 98.6 75.2 -70.9 -12.9 7.4 15.4 22.3 7 15 A E T 3 S+ 0 0 32 1,-0.2 -1,-0.3 56,-0.0 57,-0.2 0.005 73.3 81.5 -80.5 19.7 10.6 13.5 23.3 8 16 A E < + 0 0 101 -3,-1.0 2,-0.8 55,-0.1 -1,-0.2 -0.401 54.2 130.4-111.2 46.0 9.6 11.2 20.4 9 17 A Q S S- 0 0 47 -3,-0.2 2,-0.2 1,-0.2 33,-0.1 -0.544 78.8 -99.0 -95.0 63.1 11.2 13.7 18.1 10 18 A Q S S+ 0 0 96 -2,-0.8 53,-1.4 31,-0.1 2,-0.5 -0.363 93.7 17.8 62.3-121.0 13.3 11.0 16.2 11 19 A L E S+aB 41 62A 0 29,-0.6 31,-1.8 -2,-0.2 2,-0.3 -0.783 72.4 168.8 -95.1 124.7 17.0 10.7 17.4 12 20 A V E -aB 42 61A 7 49,-2.4 49,-3.1 -2,-0.5 2,-0.5 -0.970 21.0-153.0-140.4 145.2 17.9 12.3 20.7 13 21 A L E -aB 43 60A 0 29,-3.5 31,-2.5 -2,-0.3 2,-0.5 -0.960 6.3-153.3-127.5 125.4 20.8 12.2 23.0 14 22 A L E -aB 44 59A 29 45,-2.9 45,-2.3 -2,-0.5 2,-0.6 -0.877 5.1-166.8 -99.9 130.3 20.8 12.7 26.8 15 23 A F E -aB 45 58A 0 29,-2.6 31,-3.0 -2,-0.5 2,-0.5 -0.974 11.7-167.7-113.5 117.1 23.8 14.0 28.4 16 24 A I E +aB 46 57A 28 41,-3.2 41,-2.0 -2,-0.6 2,-0.3 -0.906 13.3 162.9-113.8 131.6 23.6 13.6 32.1 17 25 A K E -a 47 0A 31 29,-2.6 31,-3.5 -2,-0.5 2,-0.3 -0.877 29.6-122.3-143.6 172.4 26.0 15.2 34.5 18 26 A T E -a 48 0A 2 36,-0.4 3,-0.2 -2,-0.3 31,-0.2 -0.816 31.2-110.0-118.8 157.1 26.5 16.2 38.0 19 27 A E S S+ 0 0 102 29,-1.0 2,-0.6 -2,-0.3 30,-0.1 0.817 109.2 36.2 -59.8 -41.3 27.2 19.6 39.6 20 28 A N S S+ 0 0 127 4,-0.0 2,-0.3 34,-0.0 -1,-0.2 -0.844 82.2 122.6-117.8 97.9 30.9 19.1 40.6 21 29 A a > - 0 0 19 -2,-0.6 4,-1.1 -3,-0.2 -3,-0.1 -0.837 39.2-166.2-161.8 106.4 32.5 17.0 37.8 22 30 A G H > S+ 0 0 58 -2,-0.3 4,-1.6 1,-0.2 3,-0.2 0.929 90.5 48.0 -69.6 -49.6 35.5 18.0 35.8 23 31 A V H > S+ 0 0 67 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.861 99.5 67.9 -54.5 -43.4 35.3 15.5 33.1 24 32 A a H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.937 102.8 46.7 -48.7 -49.2 31.7 16.0 32.5 25 33 A D H X S+ 0 0 93 -4,-1.1 4,-2.1 -3,-0.2 3,-0.3 0.961 113.6 46.8 -60.1 -55.6 32.5 19.4 31.1 26 34 A V H X S+ 0 0 61 -4,-1.6 4,-2.7 1,-0.2 3,-0.4 0.956 113.9 47.6 -49.1 -56.2 35.3 18.2 28.9 27 35 A X H X S+ 0 0 22 -4,-3.2 4,-3.5 1,-0.3 -1,-0.2 0.827 107.1 56.6 -59.5 -29.6 33.2 15.4 27.6 28 36 A L H X S+ 0 0 17 -4,-2.6 4,-3.0 -5,-0.4 -1,-0.3 0.909 107.7 48.4 -68.0 -39.8 30.3 17.6 26.9 29 37 A R H X S+ 0 0 177 -4,-2.1 4,-1.8 -3,-0.4 -2,-0.2 0.981 112.8 49.2 -59.2 -51.4 32.6 19.7 24.8 30 38 A K H X S+ 0 0 106 -4,-2.7 4,-1.7 1,-0.2 3,-0.4 0.925 113.3 45.4 -55.9 -49.7 33.8 16.5 23.1 31 39 A V H X S+ 0 0 0 -4,-3.5 4,-2.4 1,-0.2 -1,-0.2 0.926 109.4 55.0 -57.9 -45.6 30.2 15.3 22.5 32 40 A N H X S+ 0 0 62 -4,-3.0 4,-0.6 -5,-0.2 -1,-0.2 0.843 104.1 57.4 -54.3 -34.1 29.1 18.7 21.2 33 41 A Y H >X S+ 0 0 160 -4,-1.8 3,-1.7 -3,-0.4 4,-0.6 0.975 106.7 45.3 -65.9 -57.2 31.9 18.6 18.7 34 42 A V H >< S+ 0 0 10 -4,-1.7 3,-1.7 1,-0.3 -1,-0.2 0.922 108.8 58.5 -46.0 -49.2 30.7 15.3 17.2 35 43 A L H >< S+ 0 0 23 -4,-2.4 3,-1.2 1,-0.3 -1,-0.3 0.623 84.6 80.0 -67.3 -13.3 27.2 16.7 17.1 36 44 A E H << S+ 0 0 142 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.935 95.2 48.0 -50.4 -43.4 28.3 19.6 15.0 37 45 A N T << S+ 0 0 112 -3,-1.7 2,-0.4 -4,-0.6 -1,-0.2 0.458 106.0 60.8 -81.6 -2.3 28.2 17.2 12.0 38 46 A Y X + 0 0 27 -3,-1.2 3,-1.2 -4,-0.2 -1,-0.2 -0.795 51.5 173.7-135.9 88.1 24.7 15.8 12.8 39 47 A N T 3 S+ 0 0 104 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.819 74.9 68.9 -60.3 -35.5 21.9 18.3 12.8 40 48 A Y T 3 S+ 0 0 77 2,-0.1 -29,-0.6 -28,-0.0 2,-0.5 0.316 80.9 90.7 -76.3 5.2 19.2 15.6 13.1 41 49 A V E < -a 11 0A 18 -3,-1.2 2,-0.5 -6,-0.2 -29,-0.2 -0.892 66.2-150.0-100.6 136.3 20.2 14.7 16.7 42 50 A E E -a 12 0A 90 -31,-1.8 -29,-3.5 -2,-0.5 2,-0.4 -0.917 9.2-148.9-106.1 128.7 18.6 16.6 19.5 43 51 A K E -a 13 0A 74 -2,-0.5 2,-0.4 -31,-0.2 -29,-0.2 -0.802 14.2-177.8 -99.5 135.9 20.5 17.1 22.7 44 52 A I E -a 14 0A 65 -31,-2.5 -29,-2.6 -2,-0.4 2,-0.5 -0.998 12.1-155.9-124.4 130.0 19.0 17.3 26.1 45 53 A E E -a 15 0A 74 -2,-0.4 2,-0.5 -31,-0.2 -29,-0.2 -0.883 5.0-166.7-104.1 134.3 21.2 18.0 29.0 46 54 A I E -a 16 0A 64 -31,-3.0 -29,-2.6 -2,-0.5 2,-0.7 -0.973 3.5-162.0-118.6 123.4 20.3 17.0 32.5 47 55 A L E -a 17 0A 97 -2,-0.5 -29,-0.2 -31,-0.2 2,-0.2 -0.893 12.2-164.0-101.9 111.2 22.2 18.4 35.4 48 56 A L E -a 18 0A 78 -31,-3.5 -29,-1.0 -2,-0.7 2,-0.1 -0.562 24.0-106.2 -88.4 159.7 21.7 16.4 38.6 49 57 A Q - 0 0 119 -2,-0.2 -1,-0.1 -31,-0.2 0, 0.0 -0.406 27.5-118.3 -82.0 164.1 22.6 17.6 42.0 50 58 A D 0 0 77 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.990 360.0 360.0 -68.2 -70.8 25.7 16.3 43.8 51 59 A X 0 0 206 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.046 360.0 360.0 42.6 360.0 24.4 14.6 47.1 52 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 53 69 A F 0 0 151 0, 0.0 -36,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.6 27.0 8.9 40.8 54 70 A T + 0 0 77 1,-0.1 -36,-0.4 2,-0.1 -6,-0.2 0.670 360.0 157.0-112.2 -52.0 29.1 11.6 38.9 55 71 A G - 0 0 5 1,-0.3 2,-0.1 -38,-0.1 -38,-0.1 -0.746 53.0-152.1 100.8-154.5 28.6 10.7 35.3 56 72 A P + 0 0 0 0, 0.0 16,-2.4 0, 0.0 2,-0.4 0.631 35.9 177.0 -76.3 167.1 28.7 11.8 32.6 57 73 A T E -BC 16 71A 9 -41,-2.0 -41,-3.2 14,-0.2 2,-0.5 -1.000 14.0-162.1-134.5 136.7 26.3 9.6 30.9 58 74 A V E -BC 15 70A 1 12,-2.1 12,-2.3 -2,-0.4 2,-0.4 -0.969 8.3-175.5-116.6 134.6 25.2 9.7 27.4 59 75 A L E -BC 14 69A 14 -45,-2.3 -45,-2.9 -2,-0.5 2,-0.5 -0.973 10.2-155.3-124.9 142.6 22.1 8.0 26.2 60 76 A L E -BC 13 68A 0 8,-3.1 7,-2.8 -2,-0.4 8,-1.5 -0.981 10.7-168.2-120.1 130.8 20.9 7.8 22.7 61 77 A F E -BC 12 66A 48 -49,-3.1 -49,-2.4 -2,-0.5 2,-0.5 -0.951 9.1-163.2-118.7 134.0 17.3 7.3 22.0 62 78 A Y E > S-BC 11 65A 84 3,-3.6 3,-2.6 -2,-0.4 -51,-0.2 -0.980 82.9 -25.7-117.0 124.8 15.6 6.4 18.7 63 79 A N T 3 S- 0 0 94 -53,-1.4 -1,-0.2 -2,-0.5 -52,-0.1 0.865 128.6 -51.0 38.2 44.3 11.9 7.0 18.5 64 80 A G T 3 S+ 0 0 30 -54,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.108 114.2 118.1 90.1 -26.4 12.0 6.5 22.3 65 81 A K E < S-C 62 0A 60 -3,-2.6 -3,-3.6 1,-0.1 2,-0.7 -0.585 70.2-121.8 -75.3 135.7 13.9 3.2 22.2 66 82 A E E +C 61 0A 91 -5,-0.3 -5,-0.3 -2,-0.2 3,-0.1 -0.719 38.4 168.8 -78.5 115.3 17.3 3.4 24.0 67 83 A I E + 0 0 67 -7,-2.8 2,-0.3 -2,-0.7 -6,-0.2 0.763 60.9 19.1-103.1 -24.6 19.9 2.5 21.4 68 84 A L E +C 60 0A 17 -8,-1.5 -8,-3.1 2,-0.0 2,-0.4 -0.999 52.2 179.4-149.9 141.8 23.2 3.4 23.2 69 85 A R E +C 59 0A 154 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.979 10.8 170.1-141.3 125.1 24.3 4.1 26.7 70 86 A E E -C 58 0A 42 -12,-2.3 -12,-2.1 -2,-0.4 2,-0.3 -0.968 10.7-170.5-131.9 152.0 27.9 5.0 27.5 71 87 A S E -C 57 0A 54 2,-0.4 2,-2.4 -2,-0.3 -14,-0.2 -0.998 50.0 -6.0-153.4 150.1 29.2 6.2 30.8 72 88 A R S S+ 0 0 62 -16,-2.4 2,-0.4 -2,-0.3 -15,-0.1 -0.402 130.1 32.3 73.5 -60.5 32.2 7.6 32.7 73 89 A F S S- 0 0 169 -2,-2.4 2,-0.6 2,-0.0 -2,-0.4 -0.998 88.7-147.8-128.0 133.0 34.5 7.3 29.7 74 90 A I - 0 0 15 -2,-0.4 2,-0.8 -4,-0.1 3,-0.1 -0.861 10.8-139.4-125.4 105.3 32.8 7.8 26.4 75 91 A S > - 0 0 27 -2,-0.6 4,-2.4 1,-0.2 5,-0.1 -0.435 16.2-175.2 -57.6 102.1 33.6 6.2 23.1 76 92 A L H > S+ 0 0 47 -2,-0.8 4,-3.1 2,-0.2 5,-0.2 0.835 86.7 58.1 -70.6 -29.8 33.1 9.0 20.8 77 93 A E H > S+ 0 0 66 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.990 107.7 44.9 -58.5 -58.4 33.7 6.5 18.1 78 94 A N H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.907 114.8 49.7 -53.0 -43.4 30.8 4.3 19.3 79 95 A L H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.964 114.2 43.7 -60.7 -49.6 28.6 7.4 19.6 80 96 A E H X S+ 0 0 58 -4,-3.1 4,-3.0 2,-0.2 -2,-0.2 0.923 113.5 47.5 -66.0 -45.2 29.4 8.6 16.1 81 97 A R H X S+ 0 0 178 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.940 113.0 51.7 -65.9 -39.5 29.1 5.4 14.3 82 98 A T H >< S+ 0 0 33 -4,-2.3 3,-1.2 -5,-0.4 -1,-0.2 0.948 110.0 47.1 -61.7 -46.5 25.9 4.7 16.0 83 99 A I H >< S+ 0 0 0 -4,-2.9 3,-2.9 1,-0.3 -1,-0.2 0.941 105.9 61.2 -57.9 -42.5 24.5 8.1 15.1 84 100 A Q H >< S+ 0 0 92 -4,-3.0 3,-2.5 1,-0.3 -1,-0.3 0.754 83.4 77.3 -57.0 -25.1 25.7 7.4 11.5 85 101 A L T << S+ 0 0 133 -3,-1.2 -1,-0.3 -4,-1.2 -2,-0.2 0.640 97.0 50.7 -67.6 -3.2 23.4 4.4 11.3 86 102 A F T < 0 0 61 -3,-2.9 -1,-0.3 -4,-0.2 -2,-0.2 0.366 360.0 360.0-110.6 4.4 20.8 7.0 10.8 87 103 A E < 0 0 201 -3,-2.5 -1,-0.1 -4,-0.2 -2,-0.1 0.712 360.0 360.0 -13.8 360.0 22.4 9.1 8.1