==== 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, TRANSCRIPTION 02-JUN-04 1TIQ . COMPND 2 MOLECULE: PROTEASE SYNTHASE AND SPORULATION NEGATIVE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR F.FOROUHAR,I.LEE,J.SHEN,S.M.VOROBIEV,R.XIAO,T.B.ACTON, . 341 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 25.8 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 . 4 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 . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 1 0 4 0 1 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 2 0 4 2 2 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 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 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 2 A S 0 0 119 0, 0.0 65,-2.1 0, 0.0 66,-0.5 0.000 360.0 360.0 360.0 168.6 26.3 51.4 54.9 2 3 A V E +A 65 0A 52 63,-0.2 2,-0.3 64,-0.1 63,-0.2 -0.808 360.0 165.0 -98.0 132.6 24.9 54.6 53.4 3 4 A K E -A 64 0A 101 61,-1.7 61,-3.2 -2,-0.4 2,-0.4 -0.995 20.1-154.6-145.5 149.4 24.8 55.1 49.7 4 5 A X E -A 63 0A 68 -2,-0.3 2,-0.4 59,-0.2 59,-0.2 -0.944 9.1-169.8-124.9 148.2 23.0 57.5 47.3 5 6 A K E -A 62 0A 86 57,-2.0 57,-3.0 -2,-0.4 2,-0.3 -1.000 26.6-116.9-139.5 139.0 22.1 57.0 43.6 6 7 A K E -A 61 0A 109 -2,-0.4 55,-0.3 55,-0.2 2,-0.2 -0.574 40.7-115.6 -74.1 133.1 20.8 59.4 40.9 7 8 A C - 0 0 12 53,-2.7 53,-0.3 -2,-0.3 2,-0.2 -0.449 34.5-171.5 -73.8 139.3 17.3 58.4 39.8 8 9 A S > - 0 0 56 -2,-0.2 3,-1.5 1,-0.0 4,-0.2 -0.588 44.0 -84.9-118.3-177.2 16.7 57.2 36.3 9 10 A R G > S+ 0 0 135 1,-0.3 3,-1.4 -2,-0.2 4,-0.2 0.843 126.1 58.4 -58.5 -35.4 13.7 56.5 34.1 10 11 A E G 3 S+ 0 0 148 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.654 96.5 63.0 -71.1 -13.9 13.6 52.9 35.6 11 12 A D G <> S+ 0 0 19 -3,-1.5 4,-3.2 1,-0.2 5,-0.3 0.399 72.9 104.1 -89.4 2.4 13.2 54.3 39.1 12 13 A L H <> S+ 0 0 9 -3,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.894 79.9 44.7 -50.0 -52.4 9.9 56.0 38.2 13 14 A Q H > S+ 0 0 108 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.909 116.5 45.5 -62.7 -44.1 7.7 53.4 40.0 14 15 A T H > S+ 0 0 68 -4,-0.3 4,-2.6 2,-0.2 5,-0.3 0.926 113.0 50.6 -65.4 -44.8 9.8 53.4 43.1 15 16 A L H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.914 109.4 52.4 -58.8 -43.4 10.1 57.2 43.2 16 17 A Q H X S+ 0 0 43 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.914 111.7 44.2 -60.2 -45.8 6.3 57.4 42.9 17 18 A Q H X S+ 0 0 95 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.921 115.6 46.9 -67.3 -43.3 5.6 55.1 45.8 18 19 A L H X S+ 0 0 7 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.897 111.9 52.2 -65.3 -39.4 8.3 56.7 48.0 19 20 A S H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 5,-0.3 0.929 111.3 46.4 -62.0 -46.1 7.0 60.2 47.1 20 21 A I H X S+ 0 0 48 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.941 114.0 46.7 -62.4 -50.3 3.4 59.3 48.0 21 22 A E H X S+ 0 0 82 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.938 116.4 42.2 -59.6 -52.0 4.2 57.7 51.3 22 23 A T H < S+ 0 0 9 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.880 117.0 47.3 -66.7 -37.4 6.5 60.4 52.6 23 24 A F H >X S+ 0 0 23 -4,-2.1 4,-1.8 -5,-0.3 3,-1.6 0.932 111.7 49.9 -69.5 -45.4 4.4 63.3 51.4 24 25 A N H 3X S+ 0 0 53 -4,-2.7 4,-1.7 1,-0.3 3,-0.3 0.947 108.9 52.5 -56.5 -48.9 1.2 61.8 52.9 25 26 A D H 3< S+ 0 0 79 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.496 112.0 48.8 -67.8 -0.9 2.9 61.2 56.2 26 27 A T H <4 S+ 0 0 53 -3,-1.6 -1,-0.2 -4,-0.1 -2,-0.2 0.746 124.9 20.5-108.6 -32.4 3.9 64.9 56.2 27 28 A F H < S+ 0 0 33 -4,-1.8 3,-0.2 -3,-0.3 -2,-0.2 0.274 93.6 102.0-120.0 8.1 0.7 66.8 55.4 28 29 A K S >< S+ 0 0 104 -4,-1.7 3,-0.8 -5,-0.3 -3,-0.1 0.841 79.8 51.5 -60.5 -40.3 -1.9 64.1 56.3 29 30 A E T 3 S+ 0 0 181 1,-0.2 -1,-0.2 -5,-0.2 -2,-0.1 0.811 112.5 43.0 -71.4 -32.4 -2.8 65.7 59.6 30 31 A Q T 3 S+ 0 0 83 -3,-0.2 2,-0.3 -4,-0.1 -1,-0.2 0.148 109.2 63.8-102.5 20.6 -3.5 69.2 58.4 31 32 A N S < S- 0 0 37 -3,-0.8 126,-0.0 -4,-0.1 -4,-0.0 -0.986 82.3-105.5-143.8 152.5 -5.5 68.3 55.2 32 33 A S > - 0 0 45 -2,-0.3 4,-2.7 1,-0.1 3,-0.2 -0.461 30.1-122.5 -75.5 147.5 -8.7 66.6 54.2 33 34 A P H > S+ 0 0 96 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.849 114.5 55.1 -55.5 -34.5 -8.4 63.0 52.8 34 35 A E H > S+ 0 0 137 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.893 109.7 43.8 -66.2 -43.5 -10.2 64.4 49.7 35 36 A N H > S+ 0 0 68 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 114.4 51.1 -69.8 -38.5 -7.7 67.1 49.1 36 37 A X H X S+ 0 0 15 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.919 109.0 50.1 -65.1 -43.6 -4.8 64.7 49.8 37 38 A K H X S+ 0 0 126 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.930 112.1 48.0 -60.3 -46.0 -6.1 62.2 47.3 38 39 A A H X S+ 0 0 56 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.914 114.5 44.9 -62.2 -45.4 -6.5 64.8 44.6 39 40 A Y H X S+ 0 0 93 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.927 110.0 53.9 -65.9 -46.3 -3.0 66.3 45.1 40 41 A L H X S+ 0 0 25 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.887 111.1 47.6 -55.0 -40.2 -1.3 62.9 45.3 41 42 A E H < S+ 0 0 110 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.2 0.821 117.0 41.7 -72.6 -30.6 -2.9 62.0 42.0 42 43 A S H < S+ 0 0 71 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.731 122.6 37.9 -89.5 -22.4 -1.9 65.3 40.3 43 44 A A H < S+ 0 0 10 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.812 126.8 29.1 -96.7 -34.4 1.6 65.5 41.8 44 45 A F S < S+ 0 0 2 -4,-2.1 -3,-0.1 -5,-0.4 -2,-0.1 0.178 80.3 130.3-116.6 19.6 2.8 61.9 41.7 45 46 A N S > S- 0 0 56 -4,-0.4 4,-2.2 1,-0.1 5,-0.3 -0.349 72.7-104.1 -69.2 156.9 1.0 60.3 38.8 46 47 A T H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.852 118.3 49.1 -47.5 -46.5 3.3 58.4 36.4 47 48 A E H > S+ 0 0 135 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 110.0 49.4 -66.5 -42.8 3.2 61.0 33.7 48 49 A Q H > S+ 0 0 66 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.966 115.3 42.7 -63.0 -52.4 4.0 64.0 36.0 49 50 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.852 110.5 56.9 -64.0 -33.4 7.0 62.3 37.6 50 51 A E H X S+ 0 0 64 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.920 108.7 47.6 -63.3 -40.7 8.2 60.9 34.3 51 52 A K H X S+ 0 0 143 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.940 112.8 47.6 -64.2 -48.6 8.3 64.5 33.0 52 53 A E H >< S+ 0 0 17 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.887 110.1 52.3 -61.0 -40.8 10.2 65.8 36.1 53 54 A L H 3< S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.829 111.1 48.4 -65.0 -30.8 12.7 62.9 35.8 54 55 A S H 3< S+ 0 0 60 -4,-1.5 2,-0.4 -3,-0.2 -1,-0.2 0.489 84.0 114.0 -86.6 -5.9 13.3 63.8 32.2 55 56 A N X< - 0 0 64 -3,-0.9 3,-1.7 -4,-0.6 -3,-0.0 -0.558 61.4-147.7 -71.4 122.9 13.7 67.5 33.0 56 57 A X T 3 S+ 0 0 185 -2,-0.4 -1,-0.2 1,-0.3 -4,-0.0 0.761 97.7 51.4 -60.4 -26.8 17.3 68.6 32.2 57 58 A S T 3 S+ 0 0 32 20,-0.0 20,-2.1 19,-0.0 2,-0.3 0.266 102.4 71.2 -97.5 11.4 17.2 71.1 35.0 58 59 A S E < - B 0 76A 13 -3,-1.7 2,-0.3 18,-0.2 18,-0.2 -0.920 56.8-173.5-126.0 151.7 16.0 68.7 37.7 59 60 A Q E - B 0 75A 57 16,-2.1 16,-2.8 -2,-0.3 2,-0.4 -0.985 6.5-160.8-150.1 133.5 17.7 65.9 39.5 60 61 A F E - B 0 74A 3 -2,-0.3 -53,-2.7 -53,-0.3 2,-0.4 -0.914 7.7-170.6-114.6 142.9 16.4 63.2 41.9 61 62 A F E -AB 6 73A 15 12,-2.2 12,-1.8 -2,-0.4 2,-0.3 -0.999 11.0-148.6-134.9 134.9 18.6 61.1 44.2 62 63 A F E -AB 5 72A 0 -57,-3.0 -57,-2.0 -2,-0.4 2,-0.4 -0.733 10.8-150.6 -96.7 149.9 17.7 58.1 46.4 63 64 A I E -AB 4 71A 0 8,-2.3 7,-2.8 -2,-0.3 8,-1.1 -0.976 14.6-165.2-120.5 137.4 19.4 57.5 49.7 64 65 A Y E -AB 3 69A 32 -61,-3.2 -61,-1.7 -2,-0.4 2,-0.4 -0.907 15.4-163.4-123.5 152.7 19.8 54.0 51.0 65 66 A F E > S-AB 2 68A 84 3,-2.4 3,-1.3 -2,-0.3 -63,-0.2 -0.967 85.5 -13.0-135.2 113.3 20.7 52.4 54.3 66 67 A D T 3 S- 0 0 80 -65,-2.1 -64,-0.1 -2,-0.4 3,-0.1 0.876 129.3 -55.4 62.0 38.7 21.8 48.7 54.2 67 68 A H T 3 S+ 0 0 155 -66,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.477 114.3 120.1 73.5 4.3 20.5 48.4 50.7 68 69 A E E < S-B 65 0A 119 -3,-1.3 -3,-2.4 1,-0.0 2,-0.3 -0.866 72.1-112.0-105.0 132.9 17.0 49.7 51.8 69 70 A I E +B 64 0A 38 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.433 39.7 169.8 -63.0 122.0 15.5 52.8 50.3 70 71 A A E - 0 0 0 -7,-2.8 28,-3.1 1,-0.3 2,-0.3 0.589 53.5 -51.1-111.2 -16.1 15.3 55.5 53.1 71 72 A G E -BC 63 97A 0 -8,-1.1 -8,-2.3 26,-0.3 -1,-0.3 -0.983 47.9-123.4 166.2-174.4 14.3 58.7 51.3 72 73 A Y E -BC 62 96A 0 24,-2.1 24,-2.7 -2,-0.3 2,-0.3 -0.977 3.1-147.1-155.4 168.7 15.0 61.0 48.5 73 74 A V E -BC 61 95A 0 -12,-1.8 -12,-2.2 -2,-0.3 2,-0.4 -0.985 7.0-158.2-139.5 144.9 15.8 64.6 47.4 74 75 A K E -BC 60 94A 9 20,-2.7 19,-1.7 -2,-0.3 20,-1.5 -0.995 13.0-171.0-126.5 125.3 14.8 66.6 44.3 75 76 A V E -BC 59 92A 4 -16,-2.8 -16,-2.1 -2,-0.4 2,-0.3 -0.871 2.6-163.9-117.2 149.9 16.9 69.6 43.3 76 77 A N E -BC 58 91A 0 15,-2.1 15,-3.0 -2,-0.3 2,-0.3 -0.965 4.8-174.8-130.2 149.5 16.1 72.2 40.6 77 78 A I E > - C 0 90A 23 -20,-2.1 3,-2.2 -2,-0.3 4,-0.3 -0.894 57.4 -11.4-135.4 165.2 18.3 74.8 38.8 78 79 A D G > S- 0 0 51 11,-0.7 3,-1.4 8,-0.4 7,-0.3 -0.115 132.7 -1.8 46.4-129.4 17.4 77.6 36.3 79 80 A D G 3 S+ 0 0 138 1,-0.3 -1,-0.3 5,-0.1 8,-0.0 0.570 124.2 71.3 -68.5 -11.0 13.8 77.3 34.9 80 81 A A G < S+ 0 0 18 -3,-2.2 -1,-0.3 -23,-0.2 -2,-0.2 0.665 73.4 108.0 -80.5 -14.6 13.1 74.1 36.9 81 82 A Q S < S- 0 0 14 -3,-1.4 -4,-0.1 -4,-0.3 5,-0.1 -0.324 76.5-128.6 -64.2 144.2 13.0 76.0 40.2 82 83 A S S S+ 0 0 71 2,-0.1 2,-0.3 -6,-0.0 -1,-0.1 0.558 98.4 39.9 -70.8 -7.5 9.5 76.4 41.7 83 84 A E S S- 0 0 30 3,-0.1 2,-2.1 257,-0.0 3,-0.2 -0.985 97.7-108.4-138.9 142.7 10.2 80.2 42.0 84 85 A E + 0 0 82 -2,-0.3 207,-0.2 255,-0.3 3,-0.1 -0.497 59.0 147.9 -74.4 79.0 12.0 82.3 39.5 85 86 A X - 0 0 17 -2,-2.1 170,-0.3 -7,-0.3 3,-0.2 0.572 52.6-117.0 -90.8 -12.3 15.2 82.8 41.5 86 87 A G > - 0 0 7 -8,-0.2 3,-0.7 -3,-0.2 -8,-0.4 -0.452 33.0 -61.0 108.5 180.0 17.6 83.0 38.6 87 88 A A T 3 S+ 0 0 51 1,-0.2 -1,-0.1 -2,-0.1 166,-0.1 0.230 119.4 65.4 -92.5 13.7 20.5 81.1 37.0 88 89 A E T 3 S+ 0 0 44 164,-0.3 37,-1.7 -3,-0.2 36,-1.4 0.197 93.9 68.9-118.2 15.0 22.8 81.5 40.0 89 90 A S E < - d 0 125A 0 -3,-0.7 -11,-0.7 34,-0.2 2,-0.4 -0.874 59.2-149.4-133.1 163.4 20.8 79.4 42.5 90 91 A L E -Cd 77 126A 0 35,-1.7 37,-2.1 -2,-0.3 2,-0.4 -0.991 16.3-146.8-130.9 139.6 19.8 75.8 43.2 91 92 A E E -Cd 76 127A 5 -15,-3.0 -15,-2.1 -2,-0.4 2,-1.0 -0.886 10.8-149.2-110.7 139.3 16.5 74.8 44.9 92 93 A I E +C 75 0A 4 35,-2.2 37,-0.4 -2,-0.4 -17,-0.2 -0.905 28.5 171.0 -99.7 98.7 15.9 71.8 47.2 93 94 A E E + 0 0 60 -19,-1.7 2,-0.4 -2,-1.0 -1,-0.2 0.878 62.8 16.1 -79.1 -40.2 12.3 71.3 46.2 94 95 A R E +C 74 0A 21 -20,-1.5 -20,-2.7 -3,-0.2 2,-0.3 -0.996 58.4 167.0-137.9 139.2 11.8 68.0 48.0 95 96 A I E +C 73 0A 24 -2,-0.4 2,-0.4 -22,-0.2 -22,-0.2 -0.882 14.7 166.0-153.9 116.8 13.7 66.2 50.7 96 97 A Y E -C 72 0A 34 -24,-2.7 -24,-2.1 -2,-0.3 2,-0.4 -0.995 19.7-170.6-141.6 136.2 12.2 63.3 52.6 97 98 A I E -C 71 0A 21 -2,-0.4 -26,-0.3 -26,-0.2 5,-0.1 -0.980 39.0-107.7-122.8 133.9 13.4 60.5 54.9 98 99 A K >> - 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