==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSLATION 29-DEC-09 3L7Q . COMPND 2 MOLECULE: PUTATIVE TRANSLATION INITIATION INHIBITOR, ALDR R . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR X.X.FAN,K.T.WANG,X.D.SU . 1116 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41586.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 789 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 242 21.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.8 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 . 9 0.8 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 0.2 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 . 96 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.8 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 5 3 0 1 0 0 0 0 0 0 4 5 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 0 0 0 9 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 . 28 7 8 9 1 0 9 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 0 0 0 4 5 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 K 0 0 151 0, 0.0 19,-2.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 124.7 4.5 -0.6 -38.6 2 3 A K E -A 19 0A 96 17,-0.2 2,-0.4 347,-0.0 17,-0.2 -0.547 360.0-136.6 -79.6 149.7 1.7 -1.9 -36.4 3 4 A I E +A 18 0A 2 15,-2.7 14,-0.8 -2,-0.2 15,-0.8 -0.922 25.4 171.4-105.8 135.2 1.6 -5.6 -35.5 4 5 A H + 0 0 46 -2,-0.4 2,-0.3 13,-0.1 6,-0.1 -0.934 4.7 167.8-141.4 133.4 -1.6 -7.7 -35.5 5 6 A T > - 0 0 6 -2,-0.3 3,-1.2 4,-0.2 54,-0.1 -0.998 34.9-139.2-133.4 145.7 -2.3 -11.4 -35.1 6 7 A D T 3 S+ 0 0 72 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.599 100.3 68.6 -66.5 -13.9 -5.5 -13.4 -34.5 7 8 A K T 3 S+ 0 0 146 51,-0.1 51,-0.3 2,-0.1 -1,-0.2 0.250 93.5 58.9-101.5 7.6 -3.5 -15.6 -32.1 8 9 A A S < S- 0 0 2 -3,-1.2 3,-0.1 50,-0.2 26,-0.1 -0.921 109.7 -76.4-122.8 155.6 -3.0 -13.0 -29.4 9 10 A P - 0 0 18 0, 0.0 -4,-0.2 0, 0.0 2,-0.1 -0.178 61.3-100.1 -50.6 143.6 -5.9 -11.2 -27.7 10 11 A A - 0 0 20 25,-0.2 2,-1.2 828,-0.1 836,-0.1 -0.436 30.7-111.4 -74.7 143.1 -7.4 -8.6 -30.0 11 12 A A - 0 0 21 834,-0.2 2,-1.1 -2,-0.1 877,-0.2 -0.633 32.3-163.1 -76.8 94.3 -6.4 -4.9 -29.5 12 13 A I - 0 0 60 -2,-1.2 875,-0.1 875,-0.1 -1,-0.1 -0.764 53.9 -34.3 -79.8 98.2 -9.6 -3.3 -28.2 13 14 A G S S+ 0 0 6 -2,-1.1 2,-0.5 873,-0.1 875,-0.2 -0.769 115.8 13.8 109.2-131.0 -9.2 0.4 -28.7 14 15 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.247 109.0 59.1-101.4 41.2 -6.3 2.9 -28.5 15 16 A Y - 0 0 56 -2,-0.5 2,-0.3 333,-0.1 335,-0.2 -0.935 66.8-136.3-143.6 171.0 -3.4 0.5 -28.5 16 17 A V B -h 350 0B 6 333,-1.1 335,-0.6 -2,-0.3 12,-0.4 -0.855 25.6-116.9-124.2 167.4 -1.9 -2.2 -30.7 17 18 A Q S S- 0 0 3 -14,-0.8 11,-1.6 -2,-0.3 2,-0.3 0.856 95.4 -4.9 -71.2 -39.2 -0.4 -5.6 -29.8 18 19 A G E -AB 3 27A 0 -15,-0.8 -15,-2.7 9,-0.3 2,-0.4 -0.986 59.4-157.0-151.8 150.9 3.0 -4.6 -31.0 19 20 A K E -AB 2 26A 13 7,-2.3 7,-2.8 -2,-0.3 2,-0.4 -0.998 12.3-148.0-131.0 134.4 4.7 -1.7 -32.7 20 21 A I E + B 0 25A 29 -19,-2.7 2,-0.3 -2,-0.4 5,-0.2 -0.779 17.4 173.1 -96.2 140.6 8.0 -1.9 -34.7 21 22 A V E > - B 0 24A 12 3,-2.6 3,-3.0 -2,-0.4 -2,-0.0 -0.978 66.1 -40.7-142.9 136.5 10.5 0.9 -34.9 22 23 A G T 3 S- 0 0 61 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.198 126.3 -24.2 40.9-121.6 13.8 0.4 -36.6 23 24 A N T 3 S+ 0 0 100 -3,-0.1 100,-1.7 99,-0.0 2,-0.5 0.037 119.9 98.1 -97.7 22.6 14.9 -3.1 -35.6 24 25 A L E < -BC 21 122A 14 -3,-3.0 -3,-2.6 98,-0.2 2,-0.6 -0.933 54.5-159.4-123.6 131.2 12.9 -3.2 -32.4 25 26 A L E -BC 20 121A 0 96,-3.9 96,-2.3 -2,-0.5 2,-0.7 -0.958 8.3-167.4-103.3 120.0 9.5 -4.6 -31.6 26 27 A F E -BC 19 120A 1 -7,-2.8 -7,-2.3 -2,-0.6 2,-0.4 -0.954 14.3-161.8-102.4 110.5 7.9 -3.1 -28.5 27 28 A A E -BC 18 119A 3 92,-2.1 92,-0.5 -2,-0.7 -9,-0.3 -0.795 22.0-109.4 -94.4 135.9 4.9 -5.3 -27.6 28 29 A S E - 0 0 2 -11,-1.6 324,-0.2 -2,-0.4 91,-0.2 -0.223 52.4 -87.2 -47.4 140.3 2.0 -4.3 -25.4 29 30 A G E - 0 0 12 322,-0.7 2,-0.4 89,-0.2 89,-0.3 -0.289 50.0-134.0 -50.2 140.9 2.1 -6.0 -22.0 30 31 A Q E - C 0 117A 12 87,-3.1 87,-1.9 -3,-0.1 22,-0.1 -0.847 19.1-167.2-108.6 140.1 0.3 -9.3 -22.3 31 32 A V - 0 0 23 -2,-0.4 2,-2.4 85,-0.2 85,-0.1 -0.725 42.5 -89.5-117.6 167.4 -2.2 -10.8 -19.9 32 33 A P S S+ 0 0 0 0, 0.0 9,-2.8 0, 0.0 2,-0.4 -0.286 74.4 137.9 -79.7 61.6 -3.6 -14.4 -19.6 33 34 A L B -P 40 0C 31 -2,-2.4 7,-0.2 7,-0.2 22,-0.1 -0.849 54.8-123.6-102.7 140.3 -6.5 -13.8 -22.0 34 35 A S > - 0 0 9 5,-2.2 4,-1.6 -2,-0.4 -26,-0.1 -0.692 9.6-149.2 -78.9 131.2 -7.6 -16.5 -24.6 35 36 A P T 4 S+ 0 0 25 0, 0.0 -25,-0.2 0, 0.0 -1,-0.1 0.782 97.3 50.1 -68.6 -28.4 -7.6 -15.0 -28.1 36 37 A E T 4 S+ 0 0 152 -29,-0.1 806,-0.0 1,-0.1 -29,-0.0 0.840 128.2 16.3 -76.4 -36.7 -10.4 -17.4 -29.0 37 38 A T T 4 S- 0 0 46 2,-0.2 805,-0.2 805,-0.0 -1,-0.1 0.691 88.7-131.1-114.3 -32.0 -12.8 -16.8 -26.1 38 39 A G < + 0 0 11 -4,-1.6 2,-0.2 1,-0.3 801,-0.1 0.482 65.5 123.3 88.0 4.4 -11.6 -13.5 -24.7 39 40 A Q S S- 0 0 64 1,-0.1 -5,-2.2 -6,-0.1 -1,-0.3 -0.544 71.9 -90.8 -97.3 159.3 -11.7 -15.0 -21.1 40 41 A V B -P 33 0C 57 -7,-0.2 2,-0.5 -2,-0.2 -7,-0.2 -0.482 41.1-149.1 -60.8 132.2 -9.0 -15.3 -18.4 41 42 A I + 0 0 62 -9,-2.8 10,-0.2 -2,-0.2 9,-0.0 -0.923 56.0 13.7-112.2 132.2 -7.2 -18.6 -18.7 42 43 A G - 0 0 23 -2,-0.5 3,-0.0 1,-0.1 0, 0.0 0.248 51.2-140.6 85.5 148.0 -5.9 -20.3 -15.5 43 44 A T S S+ 0 0 118 70,-0.0 2,-0.3 71,-0.0 -1,-0.1 0.574 83.1 66.8-109.6 -24.4 -6.4 -19.8 -11.8 44 45 A T S > S- 0 0 53 1,-0.1 4,-2.6 70,-0.0 5,-0.3 -0.687 89.8-115.5 -95.3 156.0 -2.9 -20.4 -10.7 45 46 A I H > S+ 0 0 7 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.778 116.5 57.9 -53.4 -28.8 0.2 -18.3 -11.4 46 47 A E H > S+ 0 0 37 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.952 109.7 39.2 -69.2 -51.7 1.5 -21.3 -13.4 47 48 A E H > S+ 0 0 94 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.866 116.1 51.3 -70.8 -38.3 -1.4 -21.6 -15.8 48 49 A Q H X S+ 0 0 13 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.944 107.7 52.8 -62.9 -46.2 -1.8 -17.8 -16.2 49 50 A T H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.870 106.6 54.8 -55.9 -36.4 1.9 -17.4 -17.0 50 51 A Q H X S+ 0 0 67 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.936 107.8 47.8 -64.0 -45.6 1.6 -20.1 -19.7 51 52 A Q H X S+ 0 0 21 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.937 110.6 52.1 -61.5 -40.5 -1.2 -18.2 -21.4 52 53 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.957 108.1 52.4 -60.5 -46.4 0.8 -15.0 -21.3 53 54 A L H X S+ 0 0 11 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.849 107.9 50.0 -62.8 -35.8 3.7 -16.7 -22.8 54 55 A K H X S+ 0 0 126 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.971 108.9 51.8 -65.8 -52.7 1.6 -18.0 -25.7 55 56 A N H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.882 111.2 48.6 -46.4 -40.4 0.1 -14.6 -26.4 56 57 A I H X S+ 0 0 2 -4,-2.3 4,-2.7 -5,-0.2 3,-0.3 0.955 108.5 54.6 -67.3 -47.2 3.7 -13.3 -26.5 57 58 A S H X S+ 0 0 47 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.913 105.0 51.8 -45.5 -53.7 4.7 -16.1 -28.9 58 59 A A H X S+ 0 0 13 -4,-2.6 4,-2.8 -51,-0.3 -1,-0.2 0.867 112.8 46.7 -58.9 -35.4 2.0 -15.2 -31.4 59 60 A I H X S+ 0 0 1 -4,-1.3 4,-2.7 -3,-0.3 -1,-0.2 0.920 112.2 46.8 -76.0 -45.4 3.2 -11.6 -31.4 60 61 A L H X>S+ 0 0 1 -4,-2.7 5,-2.0 2,-0.2 4,-0.7 0.975 115.5 48.6 -58.8 -51.3 6.9 -12.4 -31.8 61 62 A T H ><5S+ 0 0 96 -4,-3.1 3,-1.5 3,-0.2 -2,-0.2 0.927 110.7 49.5 -51.2 -56.9 6.0 -14.9 -34.5 62 63 A E H 3<5S+ 0 0 87 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.923 113.2 47.5 -49.7 -46.2 3.7 -12.3 -36.3 63 64 A A H 3<5S- 0 0 16 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.548 119.6-111.0 -73.6 -7.5 6.5 -9.7 -36.1 64 65 A G T <<5S+ 0 0 41 -3,-1.5 60,-1.0 -4,-0.7 2,-0.3 0.966 84.1 92.9 68.6 52.0 9.1 -12.2 -37.4 65 66 A T < - 0 0 6 -5,-2.0 -1,-0.3 58,-0.2 2,-0.3 -0.810 53.7-155.3-142.4-165.7 11.2 -12.7 -34.3 66 67 A D > - 0 0 52 56,-0.4 3,-1.9 -2,-0.3 56,-0.1 -0.948 40.5 -73.5-160.2-178.2 11.1 -15.2 -31.4 67 68 A F G > S+ 0 0 30 1,-0.3 3,-1.9 -2,-0.3 27,-0.1 0.863 121.0 62.5 -57.7 -39.5 12.0 -15.8 -27.8 68 69 A D G 3 S+ 0 0 58 1,-0.3 -1,-0.3 25,-0.1 26,-0.0 0.777 104.9 49.9 -55.5 -26.8 15.8 -16.1 -28.5 69 70 A H G < S+ 0 0 57 -3,-1.9 53,-2.6 53,-0.1 2,-0.5 0.209 77.4 120.9-106.0 15.0 15.7 -12.5 -29.7 70 71 A V E < -D 121 0A 0 -3,-1.9 51,-0.3 27,-0.3 3,-0.1 -0.665 38.5-173.2 -73.8 124.9 14.0 -10.8 -26.8 71 72 A V E + 0 0 1 49,-2.2 29,-2.7 -2,-0.5 2,-0.3 0.888 62.8 2.7 -87.0 -35.7 16.2 -8.1 -25.2 72 73 A K E -De 120 100A 8 48,-1.4 48,-2.2 27,-0.3 2,-0.3 -0.998 57.1-170.3-156.2 137.6 14.3 -7.0 -22.1 73 74 A T E -De 119 101A 1 27,-2.4 29,-1.0 -2,-0.3 2,-0.4 -0.898 11.2-152.1-126.2 158.4 11.1 -8.0 -20.3 74 75 A T E -De 118 102A 6 44,-2.2 44,-2.2 -2,-0.3 2,-0.7 -0.994 13.0-159.6-126.2 127.6 9.1 -6.4 -17.4 75 76 A C E -De 117 103A 0 27,-3.2 29,-1.7 -2,-0.4 2,-0.8 -0.908 1.4-163.4-113.1 111.8 7.1 -8.8 -15.3 76 77 A F E -De 116 104A 8 40,-3.1 40,-2.0 -2,-0.7 2,-0.3 -0.861 11.6-173.8 -93.1 113.7 4.3 -7.3 -13.3 77 78 A L E -De 115 105A 0 27,-2.5 29,-2.2 -2,-0.8 3,-0.2 -0.842 27.7-150.5-101.6 148.5 3.1 -9.6 -10.6 78 79 A S S S+ 0 0 42 36,-1.7 2,-0.3 -2,-0.3 37,-0.1 0.650 97.9 30.3 -81.4 -23.1 0.1 -9.0 -8.3 79 80 A D > - 0 0 57 35,-0.5 3,-2.2 25,-0.1 -1,-0.3 -0.857 64.7-161.7-139.2 109.0 1.9 -11.1 -5.7 80 81 A I G > S+ 0 0 13 -2,-0.3 3,-1.9 1,-0.3 4,-0.2 0.736 90.4 72.8 -54.8 -23.2 5.7 -11.2 -5.5 81 82 A D G 3 S+ 0 0 112 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.708 86.5 65.6 -71.3 -16.5 5.4 -14.4 -3.4 82 83 A D G <> S+ 0 0 31 -3,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.399 72.2 107.2 -72.3 -3.2 4.4 -16.1 -6.7 83 84 A F H <> S+ 0 0 50 -3,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.825 71.6 50.3 -56.6 -42.4 7.9 -15.5 -8.1 84 85 A V H > S+ 0 0 70 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.969 113.0 43.3 -65.0 -52.7 9.3 -19.0 -7.9 85 86 A P H > S+ 0 0 31 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.919 117.8 48.2 -58.6 -38.2 6.4 -20.8 -9.7 86 87 A F H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.851 107.9 53.9 -69.5 -38.8 6.3 -18.0 -12.3 87 88 A N H X S+ 0 0 14 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.951 107.7 51.8 -59.7 -44.3 10.0 -18.1 -12.8 88 89 A E H X S+ 0 0 30 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.893 113.9 41.4 -61.4 -46.0 9.8 -21.8 -13.6 89 90 A V H >< S+ 0 0 1 -4,-1.9 3,-1.4 2,-0.2 4,-0.5 0.962 111.6 57.5 -64.7 -46.3 7.1 -21.4 -16.2 90 91 A Y H >X S+ 0 0 0 -4,-3.1 3,-1.2 1,-0.3 4,-1.0 0.849 100.8 59.4 -46.2 -43.0 8.9 -18.3 -17.5 91 92 A A H 3< S+ 0 0 7 -4,-2.5 3,-0.4 1,-0.2 -1,-0.3 0.841 89.6 69.8 -55.7 -39.6 11.9 -20.5 -18.0 92 93 A T T << S+ 0 0 24 -3,-1.4 -1,-0.2 -4,-0.8 -2,-0.2 0.703 102.3 44.7 -61.9 -17.6 10.1 -22.9 -20.4 93 94 A A T <4 S+ 0 0 14 -3,-1.2 2,-0.8 -4,-0.5 -1,-0.2 0.789 106.5 60.6 -91.8 -33.4 10.0 -20.2 -23.1 94 95 A F < + 0 0 4 -4,-1.0 -1,-0.2 -3,-0.4 4,-0.1 -0.846 58.9 167.5-105.4 106.7 13.5 -18.9 -22.9 95 96 A K - 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