==== 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 DNA BINDING PROTEIN 26-SEP-06 2IHF . COMPND 2 MOLECULE: SINGLE-STRANDED DNA-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR R.FEDOROV,G.WITTE,C.URBANKE,D.J.MANSTEIN,U.CURTH . 205 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 41.5 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 . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 20 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 0 2 0 2 1 2 0 0 0 1 1 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 0 0 0 0 0 0 1 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 M 0 0 126 0, 0.0 4,-0.2 0, 0.0 147,-0.1 0.000 360.0 360.0 360.0 -90.0 29.7 10.6 15.9 2 2 A A - 0 0 105 2,-0.7 3,-0.1 0, 0.0 146,-0.0 0.436 360.0 -53.9 -90.3 -2.7 29.2 7.9 13.3 3 3 A R S S+ 0 0 67 1,-0.4 2,-0.3 118,-0.1 145,-0.1 -0.458 134.4 62.5 163.9 -70.5 26.0 9.9 12.8 4 4 A G + 0 0 2 143,-0.6 -2,-0.7 142,-0.1 -1,-0.4 -0.616 62.6 175.1 -81.0 134.8 24.4 10.1 16.2 5 5 A L E +A 121 0A 18 116,-2.0 116,-1.9 -2,-0.3 2,-0.3 -0.998 9.2 174.3-141.7 141.0 26.5 12.0 18.8 6 6 A N E +A 120 0A 1 -2,-0.4 2,-0.4 114,-0.2 114,-0.2 -0.827 13.7 152.3-152.3 103.1 25.5 12.9 22.3 7 7 A Q E -A 119 0A 63 112,-2.0 112,-2.5 -2,-0.3 2,-0.4 -0.998 17.8-171.1-142.2 137.6 28.0 14.4 24.8 8 8 A V E -AB 118 80A 2 72,-2.5 72,-2.0 -2,-0.4 2,-0.4 -0.984 0.2-172.8-128.5 136.2 27.6 16.7 27.8 9 9 A F E +AB 117 79A 40 108,-2.6 108,-2.5 -2,-0.4 2,-0.3 -0.995 15.7 168.1-130.1 123.7 30.4 18.5 29.8 10 10 A L E -AB 116 78A 0 68,-2.4 68,-3.8 -2,-0.4 2,-0.4 -0.975 24.3-174.5-138.7 150.8 29.6 20.4 32.9 11 11 A I E +AB 115 77A 31 104,-1.9 104,-2.1 -2,-0.3 2,-0.3 -0.950 36.9 135.2-139.7 116.5 31.4 22.0 35.9 12 12 A G E - B 0 76A 1 64,-1.8 64,-3.1 -2,-0.4 2,-0.4 -0.879 50.2 -95.8-150.8-178.1 29.0 23.2 38.5 13 13 A T E -CB 35 75A 54 22,-2.7 22,-1.8 -2,-0.3 2,-0.3 -0.886 36.4-111.2-112.7 139.7 28.4 23.4 42.3 14 14 A L E -C 34 0A 2 60,-2.1 59,-2.8 -2,-0.4 20,-0.2 -0.506 22.3-169.0 -69.3 130.5 26.2 21.0 44.3 15 15 A T S S+ 0 0 61 18,-2.7 2,-0.3 -2,-0.3 -1,-0.2 0.481 73.9 21.9 -96.0 -6.7 23.1 22.7 45.6 16 16 A A S S- 0 0 36 17,-0.5 17,-0.4 55,-0.1 -1,-0.2 -0.991 92.2 -90.7-158.0 151.3 22.2 19.8 47.9 17 17 A R - 0 0 170 -2,-0.3 54,-0.1 1,-0.1 -2,-0.0 -0.493 62.9 -94.5 -66.6 131.6 23.9 16.8 49.5 18 18 A P - 0 0 20 0, 0.0 2,-0.7 0, 0.0 14,-0.2 -0.085 29.7-134.7 -50.2 141.0 23.6 13.9 47.1 19 19 A D E -D 31 0A 99 12,-1.3 12,-1.5 -3,-0.1 2,-0.2 -0.892 20.4-157.4-103.6 108.6 20.7 11.4 47.5 20 20 A M E +D 30 0A 51 -2,-0.7 2,-0.3 10,-0.2 10,-0.2 -0.583 16.9 170.2 -86.9 149.7 21.9 7.7 47.2 21 21 A R E -D 29 0A 90 8,-1.5 8,-3.8 -2,-0.2 2,-0.3 -0.990 18.7-148.1-159.3 145.8 19.6 4.9 46.2 22 22 A Y E -D 28 0A 126 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.902 12.3-134.5-120.9 151.1 19.7 1.2 45.3 23 23 A T > - 0 0 41 4,-1.3 3,-2.3 -2,-0.3 6,-0.0 -0.614 35.2-105.3 -94.9 159.1 17.6 -0.9 43.0 24 24 A P T 3 S+ 0 0 145 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.859 125.7 53.8 -51.6 -38.3 16.4 -4.4 44.1 25 25 A G T 3 S- 0 0 83 2,-0.1 -3,-0.0 1,-0.0 0, 0.0 0.661 128.6-104.3 -71.3 -13.3 19.0 -5.9 41.9 26 26 A G < + 0 0 47 -3,-2.3 2,-0.6 1,-0.2 -1,-0.0 0.783 64.6 155.9 96.3 32.7 21.5 -3.8 43.8 27 27 A L - 0 0 75 33,-0.0 -4,-1.3 32,-0.0 -1,-0.2 -0.822 39.1-132.6 -93.1 122.0 22.3 -1.0 41.3 28 28 A A E -D 22 0A 2 -2,-0.6 32,-3.2 -6,-0.2 2,-0.4 -0.534 20.8-166.3 -74.7 137.1 23.4 2.2 43.1 29 29 A I E -DE 21 59A 19 -8,-3.8 -8,-1.5 -2,-0.2 2,-0.5 -0.990 6.6-177.7-126.7 121.3 21.8 5.4 41.9 30 30 A L E -DE 20 58A 0 28,-2.7 28,-3.0 -2,-0.4 2,-0.5 -0.948 6.7-164.6-124.8 113.2 23.2 8.8 42.8 31 31 A D E -DE 19 57A 22 -12,-1.5 -12,-1.3 -2,-0.5 2,-0.4 -0.830 6.9-166.0 -97.8 130.7 21.4 12.0 41.8 32 32 A L E - E 0 56A 0 24,-3.4 24,-3.3 -2,-0.5 2,-0.7 -0.924 13.0-147.1-117.0 140.9 23.3 15.3 42.0 33 33 A N E - E 0 55A 65 -17,-0.4 -18,-2.7 -2,-0.4 -17,-0.5 -0.921 24.6-173.1-110.4 108.0 21.9 18.7 41.7 34 34 A L E -CE 14 54A 1 20,-2.9 20,-2.9 -2,-0.7 2,-0.3 -0.786 7.6-170.2-105.7 147.4 24.4 21.1 40.0 35 35 A A E +CE 13 53A 18 -22,-1.8 -22,-2.7 -2,-0.3 2,-0.3 -0.956 20.2 131.9-134.7 149.6 24.2 24.9 39.6 36 36 A G E - E 0 52A 19 16,-2.0 16,-2.3 -2,-0.3 2,-0.3 -0.904 37.5-114.4-170.6-167.4 26.3 27.3 37.6 37 37 A Q E - E 0 51A 108 -2,-0.3 2,-0.4 14,-0.3 77,-0.1 -0.996 6.1-147.8-154.1 146.6 25.9 30.2 35.2 38 38 A D E - E 0 50A 21 12,-3.0 12,-4.1 -2,-0.3 2,-0.2 -0.911 19.8-145.6-113.5 141.6 26.5 31.2 31.6 39 39 A A E + E 0 49A 53 -2,-0.4 2,-0.3 10,-0.3 10,-0.2 -0.595 22.2 162.1-102.8 165.5 27.3 34.8 30.5 40 40 A F E - E 0 48A 80 8,-1.7 8,-3.3 -2,-0.2 2,-0.5 -0.893 34.3-119.9-176.6 149.0 26.5 36.7 27.4 41 41 A T E - E 0 47A 90 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.863 31.1-142.9-100.5 126.3 26.3 40.3 26.2 42 42 A D > - 0 0 28 4,-2.4 3,-2.6 -2,-0.5 -1,-0.0 -0.253 33.4 -91.4 -83.0 175.7 22.9 41.5 24.9 43 43 A E T 3 S+ 0 0 134 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.603 127.3 59.5 -60.6 -12.5 22.1 43.9 22.1 44 44 A S T 3 S- 0 0 98 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.224 121.4-109.7 -99.1 13.1 22.3 46.8 24.5 45 45 A G < + 0 0 52 -3,-2.6 2,-0.5 1,-0.2 -2,-0.2 0.549 69.6 147.7 72.4 9.3 25.9 45.8 25.2 46 46 A Q - 0 0 117 1,-0.0 -4,-2.4 -5,-0.0 2,-0.5 -0.653 47.2-134.2 -84.7 126.2 25.1 44.6 28.7 47 47 A E E -E 41 0A 173 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.669 35.3-177.8 -77.2 120.1 27.1 41.6 30.1 48 48 A R E -E 40 0A 127 -8,-3.3 -8,-1.7 -2,-0.5 2,-0.5 -0.958 23.6-145.0-128.8 145.0 24.6 39.2 31.6 49 49 A E E -E 39 0A 102 -2,-0.3 -10,-0.3 -10,-0.2 -2,-0.0 -0.897 10.5-161.3-107.7 130.1 24.8 35.9 33.5 50 50 A V E -E 38 0A 69 -12,-4.1 -12,-3.0 -2,-0.5 2,-0.1 -0.950 17.0-137.1-111.7 121.8 22.1 33.3 33.1 51 51 A P E -E 37 0A 69 0, 0.0 2,-0.3 0, 0.0 -14,-0.3 -0.376 16.8-166.4 -75.9 154.2 21.8 30.6 35.8 52 52 A W E -E 36 0A 6 -16,-2.3 -16,-2.0 131,-0.1 2,-0.4 -0.994 7.3-167.4-140.8 141.8 21.3 27.0 35.1 53 53 A Y E +E 35 0A 144 -2,-0.3 2,-0.4 -18,-0.2 -18,-0.2 -0.982 15.6 178.4-130.9 117.3 20.4 24.2 37.5 54 54 A H E -E 34 0A 7 -20,-2.9 -20,-2.9 -2,-0.4 2,-0.3 -0.977 24.6-140.1-129.6 136.1 20.8 20.6 36.3 55 55 A R E -E 33 0A 80 -2,-0.4 44,-1.0 -22,-0.2 2,-0.4 -0.688 22.7-163.5 -85.6 138.8 20.2 17.2 37.9 56 56 A V E -Ef 32 99A 0 -24,-3.3 -24,-3.4 -2,-0.3 2,-0.6 -0.990 5.6-148.2-127.1 132.5 22.8 14.7 37.0 57 57 A R E -Ef 31 100A 50 42,-2.5 44,-1.9 -2,-0.4 2,-0.3 -0.902 10.6-171.9-110.5 122.0 22.4 10.9 37.5 58 58 A L E -E 30 0A 0 -28,-3.0 -28,-2.7 -2,-0.6 2,-0.4 -0.812 12.9-154.6-103.5 143.9 25.4 8.6 38.3 59 59 A L E > -E 29 0A 49 42,-0.5 3,-0.5 -2,-0.3 4,-0.5 -0.940 37.7 -35.2-127.7 147.1 24.9 4.9 38.2 60 60 A G T >> S+ 0 0 4 -32,-3.2 4,-2.3 -2,-0.4 3,-0.6 -0.169 113.7 21.3 59.5-135.3 26.5 1.9 39.9 61 61 A R H 3> S+ 0 0 170 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.836 130.9 38.6 -32.7 -68.2 30.2 1.5 40.6 62 62 A Q H <> S+ 0 0 46 -3,-0.5 4,-2.1 1,-0.2 -1,-0.3 0.816 111.5 59.9 -59.3 -34.6 31.1 5.2 40.6 63 63 A A H <> S+ 0 0 0 -3,-0.6 4,-1.6 -4,-0.5 -1,-0.2 0.914 109.1 44.4 -61.1 -41.2 27.8 6.1 42.3 64 64 A E H < S+ 0 0 100 -4,-2.3 -2,-0.2 -3,-0.4 -1,-0.2 0.914 109.5 55.4 -68.1 -43.7 28.9 3.9 45.2 65 65 A M H < S+ 0 0 110 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.863 117.9 34.9 -56.1 -39.9 32.5 5.3 45.2 66 66 A W H >X S+ 0 0 52 -4,-2.1 4,-1.3 -5,-0.1 3,-1.3 0.640 88.0 119.5 -93.0 -18.7 31.2 8.9 45.6 67 67 A G T 3< S+ 0 0 12 -4,-1.6 2,-0.2 1,-0.2 -48,-0.1 -0.177 85.6 3.2 -52.4 138.8 28.1 8.3 47.8 68 68 A D T 34 S+ 0 0 146 -50,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.127 115.4 81.8 72.8 -23.4 28.2 10.0 51.1 69 69 A L T <4 S+ 0 0 116 -3,-1.3 2,-0.3 -2,-0.2 -2,-0.2 0.842 72.4 86.9 -80.1 -32.7 31.5 11.8 50.3 70 70 A L < - 0 0 3 -4,-1.3 2,-0.3 4,-0.0 -2,-0.1 -0.498 60.1-170.5 -74.8 131.6 29.9 14.6 48.3 71 71 A E > - 0 0 102 -2,-0.3 3,-1.7 -54,-0.1 -57,-0.3 -0.849 33.0 -87.0-120.7 155.7 28.7 17.6 50.2 72 72 A K T 3 S+ 0 0 146 -2,-0.3 -57,-0.2 1,-0.2 3,-0.1 -0.285 114.4 33.4 -56.4 141.2 26.6 20.7 49.2 73 73 A G T 3 S+ 0 0 49 -59,-2.8 -1,-0.2 1,-0.3 2,-0.2 0.337 85.7 141.9 91.4 -6.5 28.8 23.5 47.8 74 74 A Q < - 0 0 64 -3,-1.7 -60,-2.1 -61,-0.1 2,-0.4 -0.499 51.2-130.1 -71.8 130.7 31.2 21.0 46.2 75 75 A L E -BG 13 107A 17 32,-0.6 32,-3.2 -2,-0.2 2,-0.4 -0.700 32.4-172.8 -84.1 129.0 32.5 21.9 42.7 76 76 A I E -BG 12 106A 0 -64,-3.1 -64,-1.8 -2,-0.4 2,-0.5 -0.971 22.4-148.4-129.4 139.3 32.1 19.0 40.3 77 77 A F E -BG 11 105A 46 28,-2.3 28,-2.5 -2,-0.4 2,-0.4 -0.881 25.9-169.5-101.1 133.6 33.3 18.2 36.8 78 78 A V E -BG 10 104A 0 -68,-3.8 -68,-2.4 -2,-0.5 2,-0.4 -0.966 18.3-179.4-129.2 142.4 30.8 16.0 34.8 79 79 A E E +BG 9 103A 56 24,-1.7 23,-2.3 -2,-0.4 24,-1.8 -0.986 36.4 104.7-137.2 126.3 30.9 14.2 31.5 80 80 A G E -BG 8 101A 3 -72,-2.0 -72,-2.5 -2,-0.4 2,-0.3 -0.772 55.2 -92.1-165.1-147.4 28.0 12.2 30.3 81 81 A R E - 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