==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSLATION 27-JUL-12 4B44 . COMPND 2 MOLECULE: TRANSLATION INITIATION FACTOR IF-2; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR A.SIMONETTI,A.URZHUMTSEV,B.P.KLAHOLZ . 347 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 1 0.3 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 . 26 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 1 0 1 1 2 0 0 1 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 0 1 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 PARALLEL BRIDGES PER LADDER . 3 2 1 3 1 1 0 0 1 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 . 2 0 0 0 1 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 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 A 0 0 121 0, 0.0 37,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 132.2 22.2 66.7 -18.4 2 3 A K - 0 0 102 35,-0.4 2,-0.2 1,-0.1 36,-0.1 0.441 360.0-164.6 -84.6 134.0 23.2 69.2 -17.6 3 4 A V E -A 37 0A 16 34,-0.5 34,-3.6 33,-0.1 2,-0.2 -0.545 15.0-127.4 -89.3 140.9 21.3 68.6 -14.4 4 5 A R E >> -A 36 0A 104 32,-0.3 4,-1.9 -2,-0.2 3,-1.1 -0.588 24.5-117.3 -81.7 149.9 20.6 71.2 -11.7 5 6 A I H 3> S+ 0 0 0 30,-2.6 4,-1.8 1,-0.3 29,-0.2 0.868 113.9 53.1 -57.6 -40.8 21.6 70.4 -8.1 6 7 A Y H 3> S+ 0 0 97 27,-1.4 4,-1.1 29,-0.2 -1,-0.3 0.746 109.7 52.1 -68.8 -20.5 18.1 70.5 -6.7 7 8 A Q H <> S+ 0 0 86 -3,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.885 108.0 48.0 -77.9 -44.4 17.2 68.0 -9.4 8 9 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.829 109.1 56.6 -65.4 -31.2 19.9 65.5 -8.7 9 10 A A H X>S+ 0 0 3 -4,-1.8 5,-2.9 -5,-0.2 4,-0.6 0.912 106.3 47.0 -69.3 -43.6 19.0 65.8 -5.0 10 11 A K H ><5S+ 0 0 183 -4,-1.1 3,-0.7 1,-0.2 -1,-0.2 0.890 111.8 54.5 -62.5 -39.1 15.4 64.7 -5.6 11 12 A E H 3<5S+ 0 0 102 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.922 110.5 43.0 -58.8 -48.2 16.8 62.0 -7.7 12 13 A L H 3<5S- 0 0 25 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.458 113.3-113.5 -83.0 -1.8 19.0 60.6 -5.1 13 14 A G T <<5S+ 0 0 62 -3,-0.7 2,-0.3 -4,-0.6 -3,-0.2 0.953 74.2 137.7 67.4 50.5 16.5 60.9 -2.3 14 15 A M < - 0 0 26 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.762 57.2-107.0-130.5 165.5 18.6 63.5 -0.8 15 16 A E > - 0 0 124 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.725 24.6-127.1 -94.6 145.0 18.5 66.8 0.9 16 17 A T H > S+ 0 0 39 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.950 114.9 42.8 -51.4 -53.2 19.7 70.0 -0.8 17 18 A Q H > S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.762 111.9 57.0 -69.7 -22.9 22.0 70.8 2.1 18 19 A E H > S+ 0 0 88 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.906 111.4 41.3 -67.7 -44.0 23.0 67.2 2.2 19 20 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.822 111.9 54.5 -77.9 -30.9 24.1 67.3 -1.3 20 21 A L H X S+ 0 0 13 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.919 107.4 51.0 -67.2 -41.9 25.7 70.7 -1.0 21 22 A E H X S+ 0 0 117 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.868 109.8 52.2 -59.7 -36.4 27.8 69.5 1.9 22 23 A L H X S+ 0 0 8 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.858 105.1 53.3 -70.6 -36.2 28.8 66.6 -0.3 23 24 A L H X>S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 5,-1.5 0.849 107.6 51.6 -70.5 -31.4 29.9 68.7 -3.2 24 25 A D H <5S+ 0 0 99 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.890 112.6 44.7 -71.6 -38.6 32.2 70.7 -0.9 25 26 A Q H <5S+ 0 0 129 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.813 115.4 50.4 -69.8 -30.8 33.7 67.5 0.4 26 27 A M H <5S- 0 0 48 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.781 112.0-122.5 -79.7 -28.7 33.9 66.4 -3.2 27 28 A G T <5 + 0 0 63 -4,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.419 63.8 137.6 103.1 -0.3 35.5 69.6 -4.4 28 29 A V < - 0 0 18 -5,-1.5 2,-0.4 -6,-0.2 -1,-0.3 -0.662 46.0-140.0 -79.8 129.2 32.9 70.5 -6.9 29 30 A A + 0 0 93 -2,-0.4 2,-0.2 -3,-0.1 -5,-0.0 -0.734 26.0 170.6 -96.8 139.1 32.1 74.2 -6.8 30 31 A Y - 0 0 62 -2,-0.4 3,-0.1 1,-0.2 7,-0.0 -0.731 33.0-141.1-129.6 179.3 28.6 75.6 -7.2 31 32 A K S S- 0 0 189 1,-0.7 2,-0.3 -2,-0.2 -1,-0.2 0.748 79.8 -28.1-105.7 -63.1 26.9 78.9 -6.8 32 33 A S S > S- 0 0 58 0, 0.0 3,-2.4 0, 0.0 -1,-0.7 -0.855 75.3 -84.2-141.4-179.1 23.7 77.9 -5.2 33 34 A H T 3 S+ 0 0 83 1,-0.3 -27,-1.4 -2,-0.3 -28,-0.1 0.574 124.5 67.2 -67.4 -7.2 21.5 74.8 -5.3 34 35 A A T 3 S+ 0 0 37 -29,-0.2 -1,-0.3 -30,-0.1 -27,-0.0 0.587 80.2 113.3 -83.3 -11.6 20.1 76.2 -8.5 35 36 A S < - 0 0 22 -3,-2.4 -30,-2.6 -31,-0.1 2,-0.4 -0.092 68.7-118.0 -66.2 160.0 23.4 75.7 -10.2 36 37 A T E -A 4 0A 62 -32,-0.3 2,-0.4 -31,-0.1 -32,-0.3 -0.786 22.3-139.8-101.3 142.6 23.9 73.2 -12.9 37 38 A L E -A 3 0A 5 -34,-3.6 -34,-0.5 -2,-0.4 -35,-0.4 -0.820 18.4-115.7-104.2 141.4 26.3 70.3 -12.7 38 39 A E >> - 0 0 90 -2,-0.4 4,-1.9 1,-0.2 3,-1.4 -0.598 29.1-124.4 -69.2 130.3 28.6 69.0 -15.3 39 40 A E H 3> S+ 0 0 80 -2,-0.4 4,-1.4 1,-0.3 -1,-0.2 0.701 111.6 64.3 -54.5 -22.1 27.5 65.5 -16.1 40 41 A K H 3> S+ 0 0 140 2,-0.2 4,-1.1 1,-0.1 -1,-0.3 0.969 108.4 39.0 -59.9 -52.4 31.0 64.4 -15.3 41 42 A D H X> S+ 0 0 30 -3,-1.4 4,-2.9 1,-0.2 3,-0.5 0.902 112.4 54.4 -67.3 -45.1 30.5 65.5 -11.7 42 43 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.3 -1,-0.2 0.842 106.6 54.2 -58.9 -32.7 26.9 64.3 -11.4 43 44 A E H 3X S+ 0 0 107 -4,-1.4 4,-1.1 -5,-0.3 -1,-0.3 0.826 109.3 47.5 -71.0 -30.8 28.1 61.0 -12.5 44 45 A A H X S+ 0 0 96 -4,-1.1 4,-2.1 2,-0.2 3,-0.9 0.929 109.4 50.5 -74.3 -46.9 28.7 57.0 -7.6 48 49 A L H 3X S+ 0 0 58 -4,-3.0 4,-2.6 1,-0.3 5,-0.3 0.870 105.8 57.1 -60.7 -37.4 29.9 58.4 -4.3 49 50 A V H 3X S+ 0 0 4 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.3 0.773 107.1 50.2 -66.6 -23.7 26.4 58.1 -3.0 50 51 A K H < S+ 0 0 122 -4,-1.1 3,-0.8 1,-0.2 -1,-0.2 0.921 106.0 41.2 -65.6 -45.6 27.0 45.1 13.4 64 65 A R H >< S+ 0 0 119 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.781 107.4 62.4 -76.4 -24.0 24.1 42.8 14.0 65 66 A R T 3< S+ 0 0 126 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.543 90.6 68.1 -78.7 -6.1 26.1 39.7 13.3 66 67 A K T < S+ 0 0 159 -3,-0.8 2,-0.7 -4,-0.4 -1,-0.3 0.652 89.3 77.8 -78.8 -16.8 28.2 40.6 16.3 67 68 A S S < S- 0 0 67 -3,-1.3 -1,-0.1 -4,-0.2 -4,-0.0 -0.846 75.3-154.4-101.1 112.9 25.1 39.8 18.3 68 69 A L - 0 0 57 -2,-0.7 168,-0.1 1,-0.1 -2,-0.1 -0.629 20.0-110.5 -88.5 144.0 24.6 36.1 18.7 69 70 A P - 0 0 63 0, 0.0 166,-2.0 0, 0.0 -1,-0.1 -0.234 36.7-105.1 -68.6 157.9 21.2 34.6 19.3 70 71 A R B -B 234 0B 89 164,-0.2 164,-0.3 166,-0.0 165,-0.1 -0.153 27.5-148.9 -75.5 176.4 20.3 33.1 22.7 71 72 A R - 0 0 53 162,-1.7 162,-0.2 163,-0.1 228,-0.1 -0.992 24.7 -99.5-145.9 147.2 20.0 29.4 23.5 72 73 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 49,-0.2 -0.300 42.2-102.6 -68.8 151.4 17.8 27.6 25.9 73 74 A P - 0 0 3 0, 0.0 49,-2.7 0, 0.0 2,-0.5 -0.495 28.5-137.7 -70.0 139.7 19.2 26.5 29.3 74 75 A V E -c 122 0C 4 -2,-0.2 66,-1.9 47,-0.2 65,-1.9 -0.893 23.0-161.6-103.6 125.5 20.1 22.9 29.6 75 76 A V E -cd 123 140C 0 47,-3.6 49,-2.1 -2,-0.5 2,-0.3 -0.912 13.1-171.3-120.1 130.5 19.0 21.4 32.9 76 77 A V E - d 0 141C 32 64,-2.3 66,-3.2 -2,-0.5 2,-0.5 -0.849 16.2-141.3-111.8 150.6 20.1 18.3 34.8 77 78 A I E + d 0 142C 22 -2,-0.3 2,-0.2 64,-0.2 66,-0.2 -0.946 24.3 171.7-115.9 130.0 18.4 16.9 37.9 78 79 A M E + d 0 143C 40 64,-2.7 66,-2.3 -2,-0.5 2,-0.3 -0.719 12.7 106.6-126.2 178.0 20.2 15.4 40.8 79 80 A G E - d 0 144C 15 -2,-0.2 2,-0.3 64,-0.2 66,-0.1 -0.934 59.6 -42.2 149.1-169.8 19.6 14.1 44.3 80 81 A H > - 0 0 39 64,-0.6 3,-2.0 -2,-0.3 5,-0.3 -0.702 67.8 -89.3 -95.1 144.5 19.3 11.3 46.7 81 82 A V T 3 S+ 0 0 98 -2,-0.3 -1,-0.1 1,-0.3 73,-0.1 -0.228 113.2 21.6 -52.5 139.2 17.4 8.1 45.8 82 83 A D T 3 S+ 0 0 128 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.343 90.6 109.3 83.6 -3.4 13.7 8.4 46.7 83 84 A H S < S- 0 0 0 -3,-2.0 91,-0.1 61,-0.1 -2,-0.1 0.468 94.7 -98.7 -87.4 1.3 13.7 12.1 46.8 84 85 A G S > S+ 0 0 9 -4,-0.1 4,-2.1 60,-0.1 5,-0.2 0.646 74.5 137.2 100.8 15.5 11.6 12.4 43.6 85 86 A K H > S+ 0 0 25 -5,-0.3 4,-2.4 1,-0.2 3,-0.4 0.974 81.8 44.7 -48.9 -63.2 13.9 13.1 40.6 86 87 A T H > S+ 0 0 84 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.876 111.8 51.9 -53.4 -44.8 12.1 10.7 38.4 87 88 A T H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.883 110.9 49.4 -62.6 -36.6 8.7 11.9 39.5 88 89 A L H X S+ 0 0 1 -4,-2.1 4,-2.8 -3,-0.4 -2,-0.2 0.922 110.4 48.4 -69.1 -46.0 9.7 15.4 38.7 89 90 A L H X S+ 0 0 18 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.914 112.0 49.9 -61.2 -42.5 11.0 14.6 35.3 90 91 A D H X S+ 0 0 58 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.912 111.1 49.7 -63.4 -41.0 7.9 12.7 34.4 91 92 A Y H >X S+ 0 0 63 -4,-2.1 4,-3.5 2,-0.2 3,-0.6 0.951 110.8 48.4 -60.9 -50.7 5.8 15.6 35.6 92 93 A L H 3X S+ 0 0 1 -4,-2.8 4,-0.6 1,-0.3 -1,-0.2 0.888 113.0 48.9 -57.7 -38.9 7.7 18.1 33.5 93 94 A R H 3X S+ 0 0 51 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.3 0.685 113.9 47.5 -76.6 -18.7 7.4 15.7 30.6 94 95 A K H << S+ 0 0 119 -4,-1.2 -2,-0.2 -3,-0.6 3,-0.2 0.911 104.4 58.9 -76.5 -46.7 3.7 15.5 31.3 95 96 A S H < S+ 0 0 49 -4,-3.5 3,-0.3 1,-0.2 -2,-0.2 0.537 93.1 69.7 -65.9 -11.8 3.2 19.2 31.7 96 97 A R H < S+ 0 0 46 -4,-0.6 2,-1.1 1,-0.3 -1,-0.2 0.989 103.2 38.1 -74.0 -64.9 4.4 19.9 28.2 97 98 A I < + 0 0 74 -4,-0.5 -1,-0.3 -3,-0.2 5,-0.0 -0.771 52.0 153.0 -91.8 106.0 1.5 18.4 26.3 98 99 A A + 0 0 69 -2,-1.1 2,-0.5 -3,-0.3 -1,-0.2 0.034 65.6 95.2 -95.5 6.1 -1.6 19.2 28.2 99 100 A E - 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