==== 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 23-OCT-06 2NMU . COMPND 2 MOLECULE: PUTATIVE DNA-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR A.P.KUZIN,M.ABASHIDZE,J.SEETHARAMAN,H.WANG,C.NWOSU,K.CUNNING . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 44.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 11 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 0 1 0 3 1 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 . 1 0 0 0 0 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 6 A H 0 0 225 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 1.6 15.8 40.0 33.7 2 7 A N + 0 0 101 1,-0.2 2,-0.2 113,-0.1 114,-0.1 0.822 360.0 145.4 57.8 31.9 14.6 43.2 32.0 3 8 A A + 0 0 71 112,-0.1 2,-0.3 113,-0.0 -1,-0.2 -0.609 18.2 157.1 -97.8 159.9 11.2 42.6 33.6 4 9 A S - 0 0 43 -2,-0.2 2,-0.1 -3,-0.1 109,-0.0 -0.960 40.7-110.2-174.9 155.7 8.7 45.2 34.9 5 10 A T - 0 0 111 -2,-0.3 110,-0.4 1,-0.0 2,-0.4 -0.317 43.2-129.0 -80.9 177.8 5.1 45.9 35.7 6 11 A A - 0 0 39 107,-0.2 2,-0.4 108,-0.1 107,-0.2 -0.987 14.9-157.0-136.9 146.9 3.5 48.4 33.4 7 12 A R E -A 112 0A 110 105,-2.3 105,-2.3 -2,-0.4 2,-0.3 -0.963 23.1-149.7-116.2 135.8 1.5 51.6 33.7 8 13 A F E -A 111 0A 112 -2,-0.4 2,-0.4 103,-0.2 103,-0.2 -0.841 11.2-164.9-115.3 148.7 -0.8 52.6 30.8 9 14 A Y E -A 110 0A 44 101,-2.5 101,-2.8 -2,-0.3 2,-0.4 -0.974 6.4-155.5-127.4 141.9 -2.0 55.9 29.4 10 15 A A E +A 109 0A 85 -2,-0.4 2,-0.3 99,-0.2 99,-0.2 -0.954 23.0 162.2-117.7 135.7 -4.9 56.4 27.0 11 16 A L E -A 108 0A 33 97,-2.3 97,-2.6 -2,-0.4 2,-0.4 -0.986 28.6-144.5-150.3 160.6 -5.0 59.5 24.8 12 17 A R E -A 107 0A 131 -2,-0.3 2,-0.2 95,-0.2 95,-0.2 -0.990 14.8-149.0-129.8 123.4 -6.7 60.9 21.7 13 18 A L E -A 106 0A 4 93,-2.9 93,-1.0 -2,-0.4 3,-0.1 -0.612 22.1-126.3 -87.9 152.9 -4.9 63.1 19.2 14 19 A L > - 0 0 80 -2,-0.2 3,-2.1 91,-0.2 88,-0.3 -0.582 32.3 -75.7-101.9 161.2 -6.9 65.8 17.3 15 20 A P T 3 S+ 0 0 74 0, 0.0 88,-0.2 0, 0.0 -1,-0.1 -0.208 116.7 17.5 -51.9 134.7 -7.4 66.6 13.6 16 21 A G T 3 S+ 0 0 59 86,-2.8 2,-0.1 1,-0.3 87,-0.1 0.201 91.3 128.2 88.7 -17.9 -4.4 68.5 12.2 17 22 A Q < - 0 0 54 -3,-2.1 85,-2.9 84,-0.1 2,-0.5 -0.447 60.1-124.4 -74.4 147.3 -2.0 67.5 15.0 18 23 A E B > -H 101 0B 42 83,-0.2 4,-1.8 1,-0.1 83,-0.2 -0.810 16.2-140.5 -93.8 128.2 1.4 66.0 13.9 19 24 A V H > S+ 0 0 0 81,-2.5 4,-2.6 -2,-0.5 5,-0.2 0.873 92.9 50.1 -57.3 -50.2 2.0 62.6 15.6 20 25 A F H > S+ 0 0 12 80,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.927 112.3 47.8 -58.6 -46.6 5.7 62.8 16.5 21 26 A S H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 113.7 47.5 -62.1 -41.4 5.5 66.1 18.2 22 27 A Q H X S+ 0 0 63 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.890 111.1 50.3 -68.3 -39.5 2.4 65.1 20.2 23 28 A L H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.919 111.7 48.7 -64.6 -41.3 4.0 61.8 21.3 24 29 A H H X S+ 0 0 68 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.899 109.7 52.0 -64.1 -40.8 7.1 63.7 22.4 25 30 A A H X S+ 0 0 47 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.898 111.4 47.4 -62.8 -38.9 5.0 66.2 24.3 26 31 A F H X S+ 0 0 31 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.913 111.8 49.8 -68.0 -43.4 3.2 63.3 26.1 27 32 A V H X>S+ 0 0 2 -4,-2.5 5,-1.9 1,-0.2 4,-0.6 0.912 114.5 45.8 -60.1 -43.4 6.5 61.6 26.8 28 33 A Q H ><5S+ 0 0 95 -4,-2.7 3,-0.7 3,-0.2 -2,-0.2 0.935 110.0 52.6 -66.4 -47.5 7.9 64.9 28.2 29 34 A Q H 3<5S+ 0 0 156 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.885 121.9 31.2 -56.8 -41.5 4.8 65.7 30.3 30 35 A N H 3<5S- 0 0 52 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.383 103.1-128.9 -99.7 4.7 4.9 62.3 32.0 31 36 A Q T <<5 - 0 0 101 -3,-0.7 2,-0.3 -4,-0.6 -3,-0.2 0.909 34.6-169.5 47.6 51.3 8.6 61.9 31.9 32 37 A L < + 0 0 0 -5,-1.9 43,-1.2 -6,-0.2 -1,-0.2 -0.548 16.5 177.5 -73.3 131.8 8.3 58.4 30.3 33 38 A R S S+ 0 0 83 -2,-0.3 85,-3.4 41,-0.2 -1,-0.1 0.552 74.9 21.1-112.2 -12.8 11.6 56.6 30.3 34 39 A A S S+ 0 0 0 83,-0.2 79,-2.4 40,-0.1 2,-0.2 -0.473 83.4 149.6-157.5 75.8 10.7 53.2 28.8 35 40 A A E -BC 73 112A 0 38,-2.3 38,-2.3 77,-0.2 2,-0.3 -0.664 20.0-175.5-112.8 165.0 7.5 53.3 26.9 36 41 A W E -BC 72 111A 77 75,-2.0 75,-2.5 36,-0.3 2,-0.9 -0.982 38.4 -98.2-153.2 157.3 5.9 51.5 23.9 37 42 A I E + C 0 110A 2 34,-2.3 34,-0.4 -2,-0.3 73,-0.2 -0.720 37.4 177.1 -82.3 110.0 2.8 51.8 21.8 38 43 A A E - 0 0 47 71,-1.9 2,-0.3 -2,-0.9 72,-0.2 0.689 67.4 -3.2 -86.1 -20.3 0.5 49.1 23.2 39 44 A G E + C 0 109A 29 70,-1.4 70,-2.4 30,-0.1 2,-0.3 -0.931 63.8 174.8-169.4 145.5 -2.4 49.9 20.9 40 45 A C E + C 0 108A 28 -2,-0.3 2,-0.3 68,-0.2 68,-0.2 -0.960 6.0 163.0-161.6 140.2 -3.4 52.4 18.2 41 46 A T E + C 0 107A 73 66,-2.0 66,-3.6 -2,-0.3 2,-0.3 -0.982 29.4 89.2-153.4 148.4 -6.2 53.2 15.8 42 47 A G E -DC 66 106A 6 24,-0.8 24,-2.8 -2,-0.3 2,-0.3 -0.997 57.1 -76.5 160.3-158.0 -7.1 56.3 13.8 43 48 A S E -D 65 0A 0 62,-2.8 60,-2.2 -2,-0.3 2,-0.3 -0.972 26.1-160.4-142.7 155.3 -6.6 58.2 10.5 44 49 A L E -DC 64 102A 0 20,-2.4 20,-2.4 -2,-0.3 58,-0.2 -0.934 16.7-170.6-135.6 157.7 -4.1 60.4 8.8 45 50 A T E S+ 0 0 47 56,-2.4 17,-2.1 1,-0.4 2,-0.4 0.742 84.8 38.9-108.1 -59.4 -3.9 63.0 6.0 46 51 A D E S-D 61 0A 56 55,-0.4 55,-1.8 15,-0.2 2,-0.4 -0.782 72.2-167.5 -95.8 138.5 -0.2 63.5 5.6 47 52 A V E -D 60 0A 2 13,-3.1 13,-3.1 -2,-0.4 2,-0.5 -0.994 8.1-169.6-129.3 131.6 2.1 60.5 6.0 48 53 A A E +D 59 0A 2 -2,-0.4 49,-2.7 49,-0.3 2,-0.3 -0.958 20.0 163.4-123.2 109.8 5.9 60.5 6.4 49 54 A L E -DE 58 96A 2 9,-2.4 9,-3.8 -2,-0.5 2,-0.6 -0.932 32.2-148.7-128.5 151.0 7.6 57.2 6.0 50 55 A R E - E 0 95A 82 45,-2.4 45,-2.5 -2,-0.3 7,-0.1 -0.966 29.8-139.0-117.4 110.2 11.2 56.0 5.5 51 56 A Y > - 0 0 66 -2,-0.6 3,-2.4 5,-0.4 43,-0.1 -0.232 40.2 -64.3 -69.0 160.4 11.1 52.8 3.5 52 57 A A T 3 S- 0 0 98 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.139 119.3 -4.6 -47.2 124.7 13.4 49.8 4.3 53 58 A G T 3 S+ 0 0 90 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.429 102.3 130.0 70.9 -1.3 17.0 50.6 3.7 54 59 A Q < - 0 0 114 -3,-2.4 -1,-0.2 1,-0.1 -4,-0.0 -0.560 46.4-161.0 -86.3 150.6 16.1 54.1 2.3 55 60 A E S S+ 0 0 163 -2,-0.2 2,-0.2 -3,-0.1 -1,-0.1 0.775 71.9 70.2 -96.6 -35.0 17.9 57.2 3.5 56 61 A A S S- 0 0 68 1,-0.1 -5,-0.4 -5,-0.0 2,-0.3 -0.509 81.8-120.2 -86.8 153.6 15.2 59.7 2.3 57 62 A T - 0 0 57 -2,-0.2 2,-0.5 -7,-0.1 -7,-0.2 -0.714 18.5-139.5 -92.9 141.0 11.8 60.1 3.7 58 63 A T E -D 49 0A 47 -9,-3.8 -9,-2.4 -2,-0.3 2,-0.5 -0.891 15.1-155.6-102.2 126.5 8.7 59.6 1.5 59 64 A S E +D 48 0A 98 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.901 14.1 178.8-107.5 128.7 5.9 62.1 2.0 60 65 A L E -D 47 0A 48 -13,-3.1 -13,-3.1 -2,-0.5 2,-0.4 -0.925 10.5-166.4-126.6 151.1 2.3 61.2 1.1 61 66 A T E +D 46 0A 107 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.999 41.8 79.4-137.6 133.9 -0.9 63.1 1.3 62 67 A G E S- 0 0 29 -17,-2.1 2,-0.6 -2,-0.4 -2,-0.0 -0.924 84.3 -39.0 171.0-144.0 -4.4 61.7 1.0 63 68 A T E + 0 0 73 -2,-0.3 2,-0.3 2,-0.0 -18,-0.2 -0.940 65.2 167.7-119.9 105.5 -7.0 59.8 3.0 64 69 A F E -D 44 0A 18 -20,-2.4 -20,-2.4 -2,-0.6 2,-0.4 -0.912 29.0-148.6-125.6 148.2 -5.4 57.1 5.2 65 70 A E E -DF 43 85A 91 20,-2.3 20,-1.9 -2,-0.3 2,-0.8 -0.897 26.8-124.3-108.5 139.8 -6.4 54.8 8.0 66 71 A V E +DF 42 84A 7 -24,-2.8 -24,-0.8 -2,-0.4 18,-0.2 -0.786 31.0 176.2 -85.1 115.4 -3.7 53.8 10.6 67 72 A I E - 0 0 81 16,-2.4 2,-0.3 -2,-0.8 -1,-0.2 0.861 67.5 -5.3 -86.5 -41.7 -3.7 50.0 10.6 68 73 A S E - F 0 83A 44 15,-1.5 15,-2.3 -29,-0.1 2,-0.4 -0.982 50.3-173.6-156.1 143.2 -0.8 49.7 13.0 69 74 A L E + F 0 82A 5 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.939 25.8 170.4-138.2 109.2 1.6 51.9 14.8 70 75 A N E + F 0 81A 95 11,-2.3 11,-3.0 -2,-0.4 2,-0.3 -0.869 16.3 74.8-124.7 156.3 4.3 50.0 16.7 71 76 A G E - F 0 80A 22 -34,-0.4 -34,-2.3 -2,-0.3 2,-0.3 -0.801 61.2 -72.1 139.6 179.3 7.5 50.7 18.6 72 77 A T E +BF 36 79A 27 7,-1.4 7,-2.6 -2,-0.3 2,-0.3 -0.725 35.7 178.7-111.5 160.3 9.3 52.1 21.6 73 78 A L E +BF 35 78A 3 -38,-2.3 -38,-2.3 -2,-0.3 2,-0.3 -0.985 4.3 165.8-158.5 154.9 9.8 55.7 22.8 74 79 A E E > - F 0 77A 2 3,-2.8 3,-1.6 -2,-0.3 -41,-0.2 -0.928 55.2 -66.9-158.3 178.5 11.4 57.5 25.7 75 80 A L T 3 S+ 0 0 38 -43,-1.2 -42,-0.1 -2,-0.3 -47,-0.1 0.823 128.9 21.1 -43.2 -46.2 12.5 61.0 26.9 76 81 A T T 3 S+ 0 0 126 42,-0.3 2,-0.3 -43,-0.1 -1,-0.3 0.028 126.2 12.7-119.4 29.8 15.3 61.3 24.3 77 82 A G E < -F 74 0A 8 -3,-1.6 -3,-2.8 42,-0.1 2,-0.3 -0.984 48.6-170.2 177.7 172.7 14.5 58.9 21.5 78 83 A E E -F 73 0A 62 -2,-0.3 -5,-0.3 -5,-0.3 2,-0.2 -0.968 14.2-153.9-171.1 165.7 12.0 56.5 19.8 79 84 A H E +F 72 0A 74 -7,-2.6 -7,-1.4 -2,-0.3 2,-0.4 -0.742 29.4 168.8-154.4 96.2 11.7 53.9 17.1 80 85 A L E -F 71 0A 3 16,-0.4 16,-2.3 -9,-0.2 2,-0.4 -0.915 19.1-160.8-120.7 142.3 8.3 53.7 15.5 81 86 A H E -FG 70 95A 94 -11,-3.0 -11,-2.3 -2,-0.4 2,-0.4 -0.936 11.5-161.3-118.8 143.6 6.9 51.9 12.5 82 87 A L E -FG 69 94A 4 12,-2.3 12,-1.9 -2,-0.4 2,-0.4 -0.955 10.7-169.0-129.3 144.3 3.6 52.7 10.8 83 88 A A E -FG 68 93A 16 -15,-2.3 -16,-2.4 -2,-0.4 -15,-1.5 -1.000 14.7-178.3-130.0 128.9 1.3 50.9 8.4 84 89 A V E -FG 66 92A 0 8,-2.7 8,-2.2 -2,-0.4 2,-0.4 -0.917 14.8-149.4-128.4 156.7 -1.6 52.7 6.6 85 90 A S E -FG 65 91A 18 -20,-1.9 -20,-2.3 -2,-0.3 6,-0.2 -0.955 14.5-143.2-124.2 143.4 -4.3 51.7 4.2 86 91 A D > - 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