==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-MAY-05 2CSL . COMPND 2 MOLECULE: PROTEIN TRANSLATION INITIATION INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.WANG,K.MURAYAMA,T.TERADA,L.CHEN,Z.JIN,J.CHRZAS,Z.J.LIU,B.C . 744 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 537 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 173 23.3 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 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 . 63 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 0 6 0 0 0 0 0 0 5 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 12 1 5 6 6 0 6 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 3 3 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 X 0 0 63 0, 0.0 2,-0.3 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0 120.0 46.7 40.5 29.5 2 2 A E E -A 21 0A 109 19,-2.1 19,-3.3 345,-0.0 2,-0.1 -0.991 360.0-126.1-146.8 132.7 48.9 37.9 28.0 3 3 A A E -A 20 0A 43 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.421 21.5-134.3 -75.9 150.6 48.3 34.9 25.7 4 4 A V E -A 19 0A 9 15,-2.8 14,-0.8 -2,-0.1 15,-0.6 -0.899 23.9-176.9-107.2 133.7 49.4 31.4 26.7 5 5 A K + 0 0 197 -2,-0.4 2,-0.3 57,-0.2 6,-0.1 -0.997 9.5 156.4-135.2 134.1 51.2 29.2 24.2 6 6 A T > - 0 0 22 -2,-0.4 3,-0.6 3,-0.2 53,-0.1 -0.991 40.2-144.2-156.2 146.6 52.5 25.6 24.5 7 7 A D T 3 S+ 0 0 147 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.636 93.5 78.7 -84.1 -16.1 53.3 22.6 22.3 8 8 A R T 3 S+ 0 0 126 50,-0.1 -1,-0.2 2,-0.1 50,-0.2 0.413 100.8 39.5 -74.2 5.8 52.0 20.2 24.9 9 9 A A S < S- 0 0 1 -3,-0.6 -3,-0.2 27,-0.1 26,-0.1 -0.987 111.6 -64.4-149.8 152.7 48.4 21.0 23.7 10 10 A P - 0 0 14 0, 0.0 -4,-0.1 0, 0.0 27,-0.1 -0.039 60.8-113.8 -39.1 126.3 46.8 21.6 20.3 11 11 A A - 0 0 60 25,-0.7 2,-1.4 -4,-0.1 -4,-0.1 -0.349 26.7-112.7 -64.7 147.9 48.3 24.7 18.8 12 12 A A + 0 0 34 -3,-0.1 2,-1.2 1,-0.0 -1,-0.1 -0.675 38.6 178.9 -86.8 90.2 45.8 27.6 18.4 13 13 A I + 0 0 146 -2,-1.4 4,-0.1 2,-0.1 -1,-0.0 -0.763 55.4 29.5 -93.7 92.9 45.5 27.9 14.7 14 14 A G S S- 0 0 31 -2,-1.2 2,-1.2 2,-0.2 334,-0.1 -0.921 112.1 -36.8 151.1-174.7 43.0 30.8 14.4 15 15 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.037 108.6 71.8 -69.3 30.5 41.7 34.0 16.0 16 16 A Y - 0 0 61 -2,-1.2 2,-0.3 332,-0.2 -2,-0.2 -0.932 70.0-129.8-144.4 167.1 42.0 32.6 19.5 17 17 A A B -h 350 0B 9 332,-1.5 334,-0.5 -2,-0.3 12,-0.2 -0.851 27.9-119.9-116.2 153.8 44.6 31.7 22.2 18 18 A Q S S- 0 0 4 -14,-0.8 11,-2.5 -2,-0.3 2,-0.3 0.848 96.6 -18.5 -59.3 -31.3 44.9 28.4 24.1 19 19 A A E -AB 4 28A 0 -15,-0.6 -15,-2.8 9,-0.2 2,-0.4 -0.965 61.8-135.4-169.5 157.3 44.4 30.7 27.1 20 20 A V E -AB 3 27A 1 7,-2.1 7,-2.8 -2,-0.3 2,-0.6 -0.985 10.4-146.6-126.7 132.0 44.7 34.2 28.3 21 21 A K E +AB 2 26A 63 -19,-3.3 -19,-2.1 -2,-0.4 2,-0.3 -0.871 40.7 142.0 -96.0 120.2 46.2 35.5 31.5 22 22 A A E > - B 0 25A 7 3,-2.3 3,-2.5 -2,-0.6 101,-0.1 -0.962 55.3 -3.0-162.6 143.5 44.4 38.6 32.8 23 23 A G T 3 S- 0 0 53 -2,-0.3 3,-0.1 1,-0.3 252,-0.0 0.742 125.7 -52.2 48.7 30.1 43.1 40.3 36.0 24 24 A G T 3 S+ 0 0 47 1,-0.3 99,-2.6 98,-0.1 -1,-0.3 0.298 120.4 90.9 94.2 -11.5 44.4 37.5 38.2 25 25 A F E < -BC 22 122A 7 -3,-2.5 -3,-2.3 97,-0.2 2,-0.5 -0.653 66.6-133.2-114.8 172.1 42.6 34.7 36.3 26 26 A V E -BC 21 121A 0 95,-3.0 95,-2.5 -2,-0.2 2,-0.7 -0.993 16.2-156.4-124.7 119.7 43.5 32.3 33.5 27 27 A F E -BC 20 120A 13 -7,-2.8 -7,-2.1 -2,-0.5 2,-0.4 -0.886 13.0-159.2-101.1 113.7 40.8 31.9 30.8 28 28 A V E -BC 19 119A 4 91,-2.7 91,-1.1 -2,-0.7 -9,-0.2 -0.791 14.0-123.8 -98.3 133.4 41.2 28.6 29.0 29 29 A S E - 0 0 2 -11,-2.5 323,-0.2 -2,-0.4 2,-0.2 -0.236 44.6 -80.3 -67.5 158.1 39.7 27.9 25.5 30 30 A G E - 0 0 11 321,-2.8 2,-0.4 88,-0.1 88,-0.3 -0.432 52.1-148.1 -61.6 123.3 37.3 25.0 25.0 31 31 A Q E - C 0 117A 10 86,-2.9 86,-1.9 -2,-0.2 21,-0.1 -0.790 15.6-172.7 -99.5 140.7 39.5 22.0 24.7 32 32 A I - 0 0 24 -2,-0.4 2,-2.9 84,-0.2 84,-0.1 -0.781 45.9 -77.3-123.2 168.0 38.6 19.0 22.4 33 33 A P S S+ 0 0 0 0, 0.0 8,-3.0 0, 0.0 2,-0.5 -0.192 79.4 134.4 -62.7 50.4 40.1 15.5 21.9 34 34 A L B -O 40 0C 19 -2,-2.9 6,-0.2 6,-0.2 5,-0.1 -0.898 51.4-135.2-106.4 129.2 43.0 16.7 19.8 35 35 A A > - 0 0 15 4,-2.5 3,-2.5 -2,-0.5 -26,-0.1 -0.405 36.7 -98.8 -73.9 158.1 46.6 15.4 20.4 36 36 A P T 3 S+ 0 0 52 0, 0.0 -25,-0.7 0, 0.0 -27,-0.1 0.838 122.3 60.2 -45.8 -42.8 49.3 18.1 20.3 37 37 A D T 3 S- 0 0 128 -27,-0.1 -29,-0.0 1,-0.1 -2,-0.0 0.611 122.7-103.9 -65.3 -10.4 50.3 17.3 16.7 38 38 A G S < S+ 0 0 31 -3,-2.5 -1,-0.1 1,-0.3 2,-0.0 0.263 76.4 136.3 106.9 -11.4 46.8 18.1 15.6 39 39 A S - 0 0 55 -5,-0.1 -4,-2.5 1,-0.1 2,-0.5 -0.296 57.1-110.7 -70.4 156.2 45.5 14.6 15.1 40 40 A L B -O 34 0C 46 -6,-0.2 2,-0.7 -2,-0.0 -6,-0.2 -0.750 19.1-144.2 -92.2 126.7 42.1 13.5 16.4 41 41 A V - 0 0 38 -8,-3.0 2,-0.2 -2,-0.5 10,-0.1 -0.813 25.7-164.8 -90.4 114.6 41.9 11.1 19.3 42 42 A E + 0 0 154 -2,-0.7 2,-0.3 71,-0.1 71,-0.0 -0.667 32.7 78.9-103.1 158.5 38.9 8.8 18.6 43 43 A G S S- 0 0 37 -2,-0.2 -2,-0.0 4,-0.1 2,-0.0 -0.942 77.8 -31.2 145.0-166.4 37.0 6.4 20.9 44 44 A D S >> S- 0 0 74 -2,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.189 74.9 -85.6 -76.4 175.6 34.3 6.5 23.6 45 45 A I H 3> S+ 0 0 10 1,-0.2 4,-4.3 2,-0.2 5,-0.4 0.899 126.5 59.4 -48.9 -48.1 33.9 9.4 26.1 46 46 A R H 3> S+ 0 0 94 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.892 108.0 44.1 -49.6 -47.4 36.5 8.0 28.4 47 47 A V H <> S+ 0 0 65 -3,-0.6 4,-1.2 2,-0.2 -1,-0.2 0.923 121.5 38.3 -66.7 -45.1 39.2 8.1 25.8 48 48 A Q H X S+ 0 0 13 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.908 112.6 54.9 -73.4 -44.1 38.3 11.6 24.5 49 49 A T H X S+ 0 0 0 -4,-4.3 4,-2.8 -5,-0.3 -1,-0.2 0.920 106.5 55.4 -55.3 -40.8 37.5 13.1 27.8 50 50 A E H X S+ 0 0 83 -4,-1.7 4,-2.5 -5,-0.4 -1,-0.2 0.891 106.2 47.9 -60.4 -42.8 41.0 12.0 28.9 51 51 A R H X S+ 0 0 43 -4,-1.2 4,-2.9 2,-0.2 -1,-0.2 0.957 110.8 53.0 -62.9 -47.8 42.7 13.8 26.0 52 52 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.932 109.5 48.3 -51.0 -50.6 40.7 16.9 26.8 53 53 A X H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.939 111.2 49.6 -56.9 -49.1 41.8 16.7 30.5 54 54 A E H X S+ 0 0 56 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.878 111.8 50.3 -58.3 -37.7 45.5 16.3 29.4 55 55 A N H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.977 110.4 47.4 -63.0 -56.0 45.0 19.3 27.1 56 56 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.928 112.2 52.7 -48.2 -50.5 43.5 21.5 29.9 57 57 A K H X S+ 0 0 66 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.881 108.7 47.6 -53.9 -47.6 46.3 20.4 32.2 58 58 A A H X S+ 0 0 1 -4,-2.2 4,-2.3 -50,-0.2 -1,-0.2 0.909 114.2 47.1 -64.3 -42.6 49.1 21.4 29.7 59 59 A V H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.940 111.5 49.6 -65.1 -48.7 47.6 24.8 29.0 60 60 A L H X>S+ 0 0 0 -4,-2.9 5,-2.6 -5,-0.2 4,-0.5 0.893 112.5 48.2 -58.8 -41.4 47.0 25.6 32.7 61 61 A E H ><5S+ 0 0 81 -4,-2.0 3,-1.9 -5,-0.2 -1,-0.2 0.948 108.3 53.2 -65.1 -47.0 50.6 24.7 33.6 62 62 A A H 3<5S+ 0 0 48 -4,-2.3 -1,-0.2 1,-0.3 -57,-0.2 0.727 107.1 56.2 -59.6 -19.6 52.0 26.7 30.7 63 63 A A H 3<5S- 0 0 2 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.620 124.6-102.8 -87.7 -14.8 49.9 29.6 32.2 64 64 A G T <<5S+ 0 0 41 -3,-1.9 60,-0.4 -4,-0.5 -3,-0.2 0.587 95.0 68.6 103.0 11.7 51.6 29.3 35.6 65 65 A S < - 0 0 10 -5,-2.6 -1,-0.3 -6,-0.2 2,-0.3 -0.294 64.5-144.2-131.8-142.5 48.8 27.5 37.4 66 66 A G > - 0 0 10 56,-0.3 3,-1.8 -2,-0.1 4,-0.3 -0.992 39.4 -71.0-177.3 178.7 47.1 24.1 37.3 67 67 A L G > S+ 0 0 23 -2,-0.3 3,-1.0 1,-0.3 28,-0.3 0.795 123.4 60.0 -58.5 -28.9 44.1 21.8 37.5 68 68 A S G 3 S+ 0 0 66 1,-0.2 -1,-0.3 26,-0.1 26,-0.0 0.676 101.5 54.2 -75.4 -14.8 44.0 22.4 41.3 69 69 A R G < S+ 0 0 73 -3,-1.8 53,-2.5 53,-0.1 2,-0.4 0.361 78.9 119.0 -98.8 4.2 43.6 26.1 40.7 70 70 A V E < +D 121 0A 2 -3,-1.0 51,-0.3 -4,-0.3 3,-0.1 -0.582 32.1 173.4 -76.2 125.7 40.5 25.8 38.4 71 71 A V E + 0 0 0 49,-2.0 29,-3.5 -2,-0.4 2,-0.3 0.659 63.9 25.2-104.4 -22.3 37.4 27.5 39.8 72 72 A Q E -De 120 100A 28 48,-1.9 48,-2.6 27,-0.3 2,-0.3 -0.997 56.2-179.8-148.1 140.5 35.0 27.1 37.0 73 73 A T E -De 119 101A 1 27,-2.1 29,-1.6 -2,-0.3 2,-0.6 -0.998 15.1-155.0-140.1 142.2 34.4 24.7 34.0 74 74 A T E -De 118 102A 34 44,-2.5 44,-2.2 -2,-0.3 2,-0.6 -0.979 19.6-163.0-115.9 115.1 31.8 24.7 31.3 75 75 A C E -De 117 103A 1 27,-3.1 29,-2.3 -2,-0.6 2,-0.5 -0.898 5.8-168.0-109.1 122.0 31.4 21.1 29.9 76 76 A F E -De 116 104A 5 40,-3.2 40,-1.8 -2,-0.6 2,-0.3 -0.919 5.7-174.5-110.1 123.6 29.7 20.4 26.6 77 77 A L E -De 115 105A 0 27,-2.6 29,-2.4 -2,-0.5 38,-0.2 -0.851 25.1-145.1-113.9 151.6 28.8 16.9 25.6 78 78 A A S S+ 0 0 24 36,-1.5 2,-0.4 -2,-0.3 -1,-0.1 0.788 94.0 24.2 -82.9 -29.9 27.3 15.7 22.3 79 79 A D > - 0 0 49 35,-0.4 3,-1.1 25,-0.1 -1,-0.3 -1.000 69.3-145.1-136.1 131.5 25.2 13.0 24.0 80 80 A X G > S+ 0 0 42 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.726 97.4 72.0 -70.3 -18.5 24.0 13.2 27.6 81 81 A E G 3 S+ 0 0 161 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.811 88.5 63.5 -64.4 -27.7 24.3 9.4 27.8 82 82 A D G <> S+ 0 0 20 -3,-1.1 4,-2.2 1,-0.2 -1,-0.3 0.608 75.4 98.7 -71.7 -11.9 28.1 10.0 27.8 83 83 A F H <> S+ 0 0 52 -3,-1.6 4,-3.4 1,-0.2 5,-0.2 0.851 75.6 52.9 -44.9 -53.9 28.0 11.8 31.1 84 84 A P H > S+ 0 0 82 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.952 112.4 44.2 -50.6 -56.2 29.0 9.0 33.4 85 85 A G H > S+ 0 0 2 -4,-0.3 4,-1.6 1,-0.2 5,-0.2 0.910 116.0 48.4 -55.0 -45.1 32.1 8.1 31.5 86 86 A F H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.907 112.5 48.4 -61.4 -43.1 33.0 11.8 31.2 87 87 A N H X S+ 0 0 33 -4,-3.4 4,-2.3 -5,-0.2 -2,-0.2 0.884 108.0 55.0 -66.3 -39.3 32.4 12.4 34.9 88 88 A E H < S+ 0 0 102 -4,-2.9 4,-0.3 -5,-0.2 -1,-0.2 0.841 114.4 39.4 -63.4 -36.0 34.5 9.4 35.9 89 89 A V H X S+ 0 0 0 -4,-1.6 4,-0.6 -5,-0.2 3,-0.4 0.732 112.1 58.2 -84.7 -25.2 37.5 10.7 33.9 90 90 A Y H >X S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.2 3,-0.9 0.904 100.1 57.7 -68.6 -42.2 36.8 14.3 35.0 91 91 A A H 3< S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.677 95.5 65.7 -63.1 -20.4 37.1 13.3 38.7 92 92 A R H 34 S+ 0 0 136 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 0.850 107.8 37.6 -71.9 -34.1 40.6 12.0 38.2 93 93 A Y H << S+ 0 0 38 -3,-0.9 2,-0.3 -4,-0.6 -2,-0.2 0.713 103.2 74.8 -92.9 -23.1 42.0 15.4 37.4 94 94 A F < - 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0 0 1 -29,-2.4 250,-0.2 -2,-0.5 3,-0.1 -0.533 34.3-106.0-107.8 175.2 24.6 20.5 22.7 107 107 A K S S- 0 0 109 248,-1.5 2,-0.3 1,-0.3 249,-0.2 0.889 92.2 -18.2 -69.9 -40.4 23.7 19.8 19.1 108 108 A A B -I 355 0B 31 247,-1.4 247,-2.2 -31,-0.1 -1,-0.3 -0.980 56.8-143.1-165.3 155.1 27.3 19.4 17.8 109 109 A L > - 0 0 3 4,-0.5 3,-1.5 -2,-0.3 4,-0.2 -0.757 47.6 -67.6-119.3 164.8 30.9 20.2 18.7 110 110 A P G > S+ 0 0 30 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.247 119.6 2.2 -53.0 133.9 33.9 21.2 16.6 111 111 A R G 3 S- 0 0 154 1,-0.3 3,-0.1 219,-0.1 -3,-0.0 0.796 123.0 -72.3 56.4 37.0 35.0 18.3 14.4 112 112 A G G < S+ 0 0 74 -3,-1.5 -1,-0.3 1,-0.1 -34,-0.0 0.557 88.4 156.9 60.0 8.1 32.2 16.0 15.4 113 113 A V < - 0 0 4 -3,-1.5 -4,-0.5 -4,-0.2 -1,-0.1 -0.080 43.5-139.1 -59.7 162.4 33.9 15.5 18.7 114 114 A R S S+ 0 0 80 1,-0.2 -36,-1.5 -3,-0.1 -35,-0.4 0.494 78.0 40.3-106.1 -2.5 31.9 14.3 21.8 115 115 A V E + D 0 77A 0 -38,-0.2 2,-0.3 -37,-0.1 -38,-0.2 -0.994 49.5 172.8-149.0 140.1 33.4 16.5 24.5 116 116 A E E - 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