==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-JUN-05 2CVL . COMPND 2 MOLECULE: PROTEIN TRANSLATION INITIATION INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.WANG,K.MURAYAMA,T.TERADA,M.SHIROUZU,S.KURAMITSU, . 744 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27574.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 507 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 23.1 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 . 48 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 19.5 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 1 0 0 5 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 11 0 6 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 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 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 51 0, 0.0 2,-0.5 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0 140.7 -1.3 -13.3 -5.4 2 2 A E E -A 21 0A 119 19,-2.0 19,-2.7 194,-0.0 2,-0.3 -0.907 360.0-141.0-110.5 122.6 -2.4 -13.0 -1.7 3 3 A A E -A 20 0A 43 -2,-0.5 2,-0.5 17,-0.2 17,-0.2 -0.585 15.7-139.0 -79.5 137.8 -2.9 -9.7 -0.0 4 4 A V E +A 19 0A 9 15,-3.1 15,-0.8 -2,-0.3 14,-0.7 -0.842 23.2 178.7-100.0 131.5 -1.6 -9.4 3.6 5 5 A K + 0 0 199 -2,-0.5 2,-0.3 57,-0.2 6,-0.1 -0.984 7.1 159.3-137.9 125.5 -3.8 -7.6 6.1 6 6 A T > - 0 0 24 -2,-0.4 3,-0.6 3,-0.1 53,-0.1 -0.991 39.7-144.6-144.6 150.2 -3.1 -7.1 9.8 7 7 A D T 3 S+ 0 0 140 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.432 92.6 81.1 -91.5 -1.1 -4.2 -4.7 12.5 8 8 A R T 3 S+ 0 0 143 50,-0.1 -1,-0.2 2,-0.1 50,-0.2 0.407 97.5 43.4 -83.5 2.3 -0.7 -4.9 14.1 9 9 A A S < S- 0 0 1 -3,-0.6 -3,-0.1 27,-0.2 26,-0.1 -0.970 110.4 -71.1-142.6 155.1 0.4 -2.3 11.5 10 10 A P - 0 0 13 0, 0.0 27,-0.1 0, 0.0 -4,-0.1 -0.200 61.0-109.6 -48.1 128.4 -1.1 0.9 10.2 11 11 A A - 0 0 68 25,-0.6 2,-0.5 1,-0.1 -4,-0.1 -0.314 35.5-100.8 -62.2 144.5 -4.0 0.0 8.0 12 12 A A - 0 0 36 -3,-0.1 2,-0.8 1,-0.1 -1,-0.1 -0.553 36.5-165.0 -70.1 119.4 -3.5 0.6 4.3 13 13 A I + 0 0 141 -2,-0.5 -1,-0.1 -3,-0.1 4,-0.1 -0.875 59.4 18.3-109.6 98.4 -5.2 3.8 3.3 14 14 A G S S- 0 0 41 -2,-0.8 2,-2.0 2,-0.1 199,-0.0 -0.811 114.1 -35.7 135.2-176.2 -5.5 3.9 -0.4 15 15 A P S S+ 0 0 10 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.378 104.3 82.3 -79.8 62.8 -5.3 1.5 -3.4 16 16 A Y - 0 0 57 -2,-2.0 2,-0.3 207,-0.1 209,-0.2 -0.985 69.5-122.2-158.0 159.8 -2.6 -0.8 -2.0 17 17 A A B -g 225 0B 12 207,-1.5 209,-0.5 -2,-0.3 12,-0.3 -0.799 28.1-120.4-104.7 149.5 -2.1 -3.8 0.3 18 18 A Q S S- 0 0 6 -14,-0.7 11,-2.4 -2,-0.3 2,-0.3 0.869 94.4 -16.9 -54.8 -37.2 0.3 -3.7 3.3 19 19 A A E -AB 4 28A 0 -15,-0.8 -15,-3.1 9,-0.2 2,-0.4 -0.974 61.6-141.3-162.2 161.5 2.1 -6.6 1.7 20 20 A V E -AB 3 27A 0 7,-2.2 7,-3.0 -2,-0.3 2,-0.5 -0.999 9.6-146.3-134.0 133.7 1.6 -9.2 -1.0 21 21 A K E +AB 2 26A 64 -19,-2.7 -19,-2.0 -2,-0.4 2,-0.3 -0.880 40.9 136.0 -99.6 125.0 2.8 -12.8 -1.0 22 22 A A E > + B 0 25A 12 3,-2.6 3,-2.1 -2,-0.5 101,-0.1 -0.934 56.0 8.6-169.0 144.6 3.8 -14.1 -4.5 23 23 A G T 3 S- 0 0 50 -2,-0.3 3,-0.1 1,-0.3 127,-0.0 0.720 127.3 -55.6 56.8 24.2 6.4 -16.1 -6.3 24 24 A G T 3 S+ 0 0 48 1,-0.3 99,-2.6 98,-0.1 100,-0.3 0.508 121.1 94.1 88.0 4.1 8.1 -17.2 -3.0 25 25 A F E < -BC 22 122A 5 -3,-2.1 -3,-2.6 97,-0.3 2,-0.5 -0.789 66.2-136.1-124.6 168.0 8.5 -13.6 -1.9 26 26 A V E -BC 21 121A 0 95,-2.8 95,-2.3 -2,-0.3 2,-0.6 -0.996 16.6-156.4-125.4 120.3 6.7 -11.1 0.3 27 27 A F E -BC 20 120A 12 -7,-3.0 -7,-2.2 -2,-0.5 2,-0.5 -0.896 12.2-158.7-101.2 119.8 6.5 -7.5 -1.1 28 28 A V E -BC 19 119A 4 91,-2.7 91,-1.4 -2,-0.6 -9,-0.2 -0.868 12.4-126.6-106.6 129.6 6.0 -5.0 1.6 29 29 A S E - 0 0 0 -11,-2.4 198,-0.2 -2,-0.5 88,-0.1 -0.205 45.0 -77.5 -66.2 158.7 4.6 -1.5 1.0 30 30 A G E - 0 0 16 196,-2.0 2,-0.4 88,-0.1 88,-0.3 -0.350 50.6-153.0 -59.8 132.8 6.4 1.6 2.2 31 31 A Q E - C 0 117A 11 86,-2.7 86,-2.1 -3,-0.1 21,-0.1 -0.881 11.8-172.3-112.2 143.3 6.0 2.1 6.0 32 32 A I - 0 0 29 -2,-0.4 2,-2.8 84,-0.2 84,-0.1 -0.712 47.9 -73.2-123.1 174.9 6.1 5.4 7.8 33 33 A P S S+ 0 0 0 0, 0.0 8,-3.0 0, 0.0 2,-0.4 -0.193 82.1 131.3 -67.9 51.6 6.1 6.4 11.5 34 34 A L B -M 40 0C 22 -2,-2.8 6,-0.2 6,-0.2 5,-0.1 -0.835 52.9-130.1-105.3 144.1 2.4 5.6 12.1 35 35 A A > - 0 0 15 4,-3.4 3,-2.0 -2,-0.4 -26,-0.1 -0.414 33.5 -98.8 -84.5 166.2 1.1 3.5 15.0 36 36 A P T 3 S+ 0 0 50 0, 0.0 -25,-0.6 0, 0.0 -27,-0.2 0.860 124.6 51.5 -53.4 -38.0 -1.3 0.6 14.4 37 37 A D T 3 S- 0 0 130 -27,-0.1 -29,-0.0 -29,-0.1 -30,-0.0 0.485 126.1 -99.3 -80.1 -1.3 -4.3 2.8 15.4 38 38 A G S < S+ 0 0 38 -3,-2.0 2,-0.1 1,-0.3 -1,-0.1 0.375 74.5 143.5 102.5 -4.7 -3.2 5.5 13.0 39 39 A S - 0 0 65 -5,-0.1 -4,-3.4 1,-0.1 2,-0.4 -0.406 50.5-119.8 -70.7 145.4 -1.5 7.9 15.4 40 40 A L B -M 34 0C 47 -6,-0.2 2,-0.7 -2,-0.1 -6,-0.2 -0.729 16.8-147.2 -90.3 130.0 1.5 9.7 14.2 41 41 A V + 0 0 38 -8,-3.0 2,-0.1 -2,-0.4 10,-0.0 -0.865 24.8 175.5 -98.3 114.3 4.8 9.2 16.0 42 42 A E + 0 0 83 -2,-0.7 2,-0.2 71,-0.1 71,-0.0 -0.254 27.9 85.2-101.7-167.0 7.0 12.3 16.0 43 43 A G S S- 0 0 42 -2,-0.1 71,-0.1 4,-0.1 -2,-0.0 -0.680 81.9 -16.6 108.3-165.5 10.3 13.0 17.6 44 44 A D S > S- 0 0 81 -2,-0.2 4,-2.3 1,-0.1 3,-0.4 -0.149 72.1 -95.8 -73.2 171.2 13.8 12.3 16.5 45 45 A I H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.811 122.1 58.6 -55.9 -33.6 14.9 9.9 13.8 46 46 A R H > S+ 0 0 92 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.927 109.1 42.0 -65.3 -44.5 15.5 7.1 16.3 47 47 A V H > S+ 0 0 61 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.906 118.2 45.9 -68.9 -42.2 11.9 7.2 17.7 48 48 A Q H X S+ 0 0 11 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.892 111.1 52.1 -68.9 -39.4 10.4 7.4 14.2 49 49 A T H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.892 104.3 57.9 -64.3 -38.7 12.6 4.7 12.8 50 50 A E H X S+ 0 0 96 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.927 106.2 48.5 -56.8 -45.9 11.6 2.4 15.6 51 51 A R H X S+ 0 0 50 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.904 111.2 50.4 -62.2 -40.8 7.9 2.7 14.7 52 52 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.936 111.2 48.4 -62.1 -46.0 8.7 2.1 11.0 53 53 A X H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.907 110.4 50.9 -60.9 -43.9 10.7 -1.0 11.9 54 54 A E H X S+ 0 0 56 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.848 109.6 52.0 -62.8 -33.6 7.9 -2.3 14.1 55 55 A N H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.932 110.8 46.1 -68.2 -45.4 5.5 -1.7 11.2 56 56 A L H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.942 112.8 51.2 -60.5 -47.8 7.7 -3.7 8.8 57 57 A K H X S+ 0 0 73 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.918 110.1 48.9 -55.8 -48.0 8.1 -6.5 11.4 58 58 A A H X S+ 0 0 5 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.895 113.6 45.4 -61.8 -43.1 4.3 -6.8 12.0 59 59 A V H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.925 113.3 50.0 -67.5 -43.9 3.4 -6.9 8.3 60 60 A L H <>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 -2,-0.2 0.922 112.6 47.0 -59.6 -45.3 6.2 -9.5 7.6 61 61 A E H ><5S+ 0 0 94 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.885 108.5 54.6 -64.7 -39.2 5.0 -11.6 10.5 62 62 A A H 3<5S+ 0 0 49 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.832 106.3 54.2 -62.9 -30.4 1.4 -11.4 9.4 63 63 A A T 3<5S- 0 0 1 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.419 123.5-105.8 -83.6 0.6 2.6 -12.7 6.0 64 64 A G T < 5S+ 0 0 42 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.647 93.5 91.6 83.4 15.4 4.2 -15.7 7.6 65 65 A S < - 0 0 9 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.3 -0.234 58.8-151.1-117.8-152.7 7.7 -14.3 7.2 66 66 A G > - 0 0 11 56,-0.3 3,-1.6 -2,-0.1 4,-0.3 -0.985 36.3 -82.8-174.5 173.1 10.0 -12.2 9.4 67 67 A L G > S+ 0 0 25 -2,-0.3 3,-1.3 1,-0.3 28,-0.1 0.826 121.4 58.9 -59.4 -34.5 12.7 -9.6 9.6 68 68 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 26,-0.1 26,-0.0 0.595 101.5 56.4 -72.9 -9.6 15.4 -12.2 9.2 69 69 A R G < S+ 0 0 57 -3,-1.6 53,-2.5 53,-0.1 2,-0.3 0.429 78.3 117.6 -99.7 -1.3 13.9 -13.2 5.8 70 70 A V E < +D 121 0A 2 -3,-1.3 51,-0.3 -4,-0.3 3,-0.1 -0.510 33.7 173.4 -70.4 129.0 14.2 -9.6 4.4 71 71 A V E + 0 0 0 49,-2.3 29,-2.5 1,-0.3 2,-0.3 0.586 63.2 22.2-110.7 -16.5 16.5 -9.6 1.4 72 72 A Q E -De 120 100A 27 48,-1.8 48,-2.4 27,-0.3 2,-0.3 -0.982 56.4-174.4-155.7 138.3 16.1 -6.0 0.2 73 73 A T E -De 119 101A 1 27,-1.9 29,-1.4 -2,-0.3 2,-0.5 -0.965 11.8-155.8-132.6 149.8 15.0 -2.6 1.6 74 74 A T E -De 118 102A 35 44,-2.6 44,-2.4 -2,-0.3 2,-0.4 -0.989 21.6-167.4-126.0 116.4 14.5 0.7 -0.0 75 75 A C E -De 117 103A 0 27,-2.9 29,-2.0 -2,-0.5 2,-0.4 -0.901 11.1-167.8-115.8 136.1 14.8 3.6 2.4 76 76 A F E -De 116 104A 3 40,-3.0 40,-2.0 -2,-0.4 2,-0.4 -0.977 5.9-172.1-123.2 129.3 13.9 7.3 2.1 77 77 A L E -De 115 105A 3 27,-2.4 29,-2.7 -2,-0.4 38,-0.2 -0.927 22.3-151.8-120.8 144.9 15.0 10.0 4.5 78 78 A A S S+ 0 0 23 36,-1.8 2,-0.4 -2,-0.4 37,-0.1 0.668 92.2 33.3 -85.6 -18.1 13.9 13.6 4.6 79 79 A D > - 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0 0 18 -4,-0.7 4,-0.1 -3,-0.2 -26,-0.1 -0.898 56.2-173.2-123.4 152.3 18.5 -6.9 11.6 95 95 A T - 0 0 96 -2,-0.3 -3,-0.0 2,-0.3 -2,-0.0 -0.953 47.1 -33.6-136.9 153.5 21.3 -9.4 12.2 96 96 A P S S+ 0 0 81 0, 0.0 2,-0.1 0, 0.0 -28,-0.0 -0.217 119.2 49.9 -52.1 135.8 23.8 -11.0 9.7 97 97 A P S S- 0 0 52 0, 0.0 -2,-0.3 0, 0.0 170,-0.1 0.417 89.2-162.5 -80.5 135.2 23.1 -11.7 7.0 98 98 A Y - 0 0 58 1,-0.1 168,-0.2 166,-0.1 169,-0.1 -0.394 22.4 -98.0 -80.8 158.8 21.7 -8.2 6.5 99 99 A P - 0 0 1 0, 0.0 168,-1.6 0, 0.0 -27,-0.3 -0.247 37.7-102.3 -71.7 162.4 19.4 -7.2 3.6 100 100 A A E -e 72 0A 0 -29,-2.5 -27,-1.9 166,-0.2 2,-0.3 -0.586 51.4-160.9 -76.8 150.5 20.6 -5.5 0.5 101 101 A R E -e 73 0A 19 166,-0.5 179,-2.5 -29,-0.2 2,-0.4 -0.993 28.7-170.2-145.5 148.2 19.8 -1.8 0.8 102 102 A A E -e 74 0A 8 -29,-1.4 -27,-2.9 -2,-0.3 2,-0.4 -0.998 17.8-174.8-131.1 131.9 19.3 1.4 -1.2 103 103 A T E +e 75 0A 13 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.996 7.3 166.8-133.8 137.1 19.0 4.8 0.6 104 104 A V E -e 76 0A 4 -29,-2.0 -27,-2.4 -2,-0.4 2,-0.4 -0.946 29.0-124.1-142.3 163.2 18.2 8.3 -0.7 105 105 A A E -eF 77 358A 2 253,-2.6 253,-1.8 -2,-0.3 252,-0.5 -0.925 24.5-169.9-112.7 133.9 17.2 11.6 0.7 106 106 A V - 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