==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN/DNA 24-OCT-01 1K8G . COMPND 2 MOLECULE: 5'-D(TP*TP*GP*GP*GP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.CLASSEN,J.A.RUGGLES,S.C.SCHULTZ . 822 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 554 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 218 26.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.3 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 . 3 0.4 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 . 100 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 1 0 3 0 0 3 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 5 0 0 3 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 . 6 4 4 4 10 5 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 . 2 0 0 0 1 2 0 2 1 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 36 A Y 0 0 116 0, 0.0 2,-0.6 0, 0.0 78,-0.0 0.000 360.0 360.0 360.0-159.6 36.9 78.0 18.7 2 37 A E - 0 0 165 2,-0.0 16,-0.7 17,-0.0 2,-0.6 -0.960 360.0-158.6-114.6 109.5 34.1 75.5 18.9 3 38 A Y B -a 18 0A 35 -2,-0.6 2,-0.3 14,-0.1 16,-0.2 -0.827 6.5-151.9 -96.8 119.9 31.5 76.1 16.2 4 39 A V - 0 0 36 14,-2.5 16,-0.3 -2,-0.6 2,-0.2 -0.642 18.9-116.3 -88.7 143.9 28.1 74.5 16.9 5 40 A E >> - 0 0 81 -2,-0.3 3,-1.9 14,-0.1 4,-0.9 -0.557 34.5-109.0 -76.5 145.0 25.8 73.5 14.1 6 41 A L T 34 S+ 0 0 0 14,-0.3 3,-0.5 1,-0.3 -1,-0.1 0.793 117.5 43.1 -44.6 -42.2 22.5 75.5 14.1 7 42 A A T 34 S+ 0 0 35 1,-0.2 -1,-0.3 47,-0.0 -2,-0.0 0.617 111.9 55.6 -83.5 -9.9 20.3 72.7 15.3 8 43 A K T <4 S+ 0 0 143 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.516 79.1 115.6 -98.3 -7.5 22.8 71.5 17.9 9 44 A A S < S- 0 0 6 -4,-0.9 2,-0.4 -3,-0.5 10,-0.0 -0.259 71.0-105.2 -62.1 152.0 23.1 74.9 19.7 10 45 A S - 0 0 32 5,-0.1 73,-0.2 1,-0.1 -1,-0.1 -0.656 27.8-176.3 -89.2 134.1 21.9 75.0 23.3 11 46 A L S S+ 0 0 73 -2,-0.4 -1,-0.1 1,-0.1 74,-0.1 0.120 90.9 54.1-102.8 12.9 18.7 76.7 24.5 12 47 A T S S+ 0 0 134 1,-0.1 2,-0.4 3,-0.1 -1,-0.1 0.795 85.4 75.5-114.2 -51.6 20.0 75.7 27.9 13 48 A S - 0 0 56 1,-0.1 -1,-0.1 2,-0.1 -3,-0.1 -0.574 67.4-140.1 -79.3 128.0 23.5 77.0 28.6 14 49 A A + 0 0 106 -2,-0.4 -1,-0.1 68,-0.1 -3,-0.0 0.385 69.7 107.1 -63.6 3.7 23.9 80.7 29.4 15 50 A Q S S- 0 0 141 1,-0.1 68,-0.2 67,-0.0 -5,-0.1 -0.630 75.7-107.5 -95.9 146.4 27.1 80.9 27.4 16 51 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 66,-0.2 -0.202 36.7-157.5 -59.3 156.9 27.7 82.5 24.0 17 52 A Q E -B 81 0B 27 64,-3.2 64,-2.8 62,-0.1 2,-0.3 -0.896 4.4-140.6-134.2 163.8 28.1 80.1 21.1 18 53 A H E +a 3 0A 28 -16,-0.7 -14,-2.5 -2,-0.3 2,-0.3 -0.844 23.9 164.7-124.5 160.6 29.8 80.3 17.7 19 54 A F E -B 78 0B 3 59,-1.6 59,-1.6 -2,-0.3 2,-0.4 -0.988 34.2-129.6-170.2 161.6 28.8 79.0 14.3 20 55 A Y E +B 77 0B 9 -16,-0.3 -14,-0.3 -2,-0.3 2,-0.3 -0.934 39.3 163.6-113.1 138.6 29.1 79.0 10.5 21 56 A A E -B 76 0B 0 55,-2.6 55,-2.6 -2,-0.4 2,-0.4 -0.986 38.8-108.3-154.1 160.1 25.9 79.3 8.6 22 57 A V E -BC 75 41B 0 19,-3.6 19,-2.3 -2,-0.3 2,-0.6 -0.747 30.1-134.4 -91.2 138.8 24.6 80.0 5.1 23 58 A V E + C 0 40B 1 51,-2.7 50,-3.3 -2,-0.4 17,-0.2 -0.834 32.7 164.1 -95.3 120.7 22.8 83.4 4.6 24 59 A I E + 0 0 0 15,-2.7 2,-0.3 -2,-0.6 16,-0.2 0.579 66.2 12.8-110.7 -14.8 19.5 83.0 2.6 25 60 A D E + C 0 39B 1 14,-1.0 14,-2.8 46,-0.1 -1,-0.4 -0.963 63.9 171.2-161.3 145.3 17.8 86.3 3.4 26 61 A A E - C 0 38B 0 -2,-0.3 12,-0.2 12,-0.2 204,-0.2 -0.984 26.2-132.0-160.7 149.0 18.7 89.7 5.0 27 62 A T - 0 0 5 10,-2.1 42,-0.4 -2,-0.3 223,-0.2 -0.453 42.9-101.1 -87.8 166.6 17.6 93.2 5.7 28 63 A F - 0 0 32 221,-1.9 2,-0.3 -2,-0.1 9,-0.2 -0.519 51.4 -90.7 -81.8 160.2 19.9 96.2 4.9 29 64 A P + 0 0 11 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.593 63.2 168.0 -72.7 137.2 21.5 97.4 8.1 30 65 A Y B -D 35 0B 47 5,-2.0 5,-2.7 -2,-0.3 2,-0.4 -0.910 34.6-111.2-142.4 168.5 19.3 100.1 9.5 31 66 A K 0 0 115 -2,-0.3 217,-0.1 3,-0.2 218,-0.1 -0.843 360.0 360.0-105.7 141.2 18.9 102.2 12.6 32 67 A T 0 0 133 -2,-0.4 -1,-0.2 0, 0.0 3,-0.0 0.735 360.0 360.0 -92.3 360.0 15.9 101.7 14.9 33 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 34 72 A Y 0 0 56 0, 0.0 26,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 143.9 21.5 99.6 14.6 35 73 A I E -DE 30 59B 19 -5,-2.7 -5,-2.0 24,-0.2 2,-0.3 -0.969 360.0-171.6-148.2 157.2 20.3 96.2 13.4 36 74 A C E - E 0 58B 0 22,-0.9 22,-3.2 -2,-0.3 2,-0.5 -0.936 14.6-160.6-147.9 127.2 20.5 93.6 10.8 37 75 A S E - E 0 57B 27 -2,-0.3 -10,-2.1 20,-0.2 2,-0.3 -0.947 15.4-179.8-112.2 130.7 18.1 90.7 10.7 38 76 A L E -CE 26 56B 0 18,-2.9 18,-2.8 -2,-0.5 2,-0.6 -0.901 28.0-137.7-129.7 160.1 19.1 87.6 8.7 39 77 A K E -CE 25 55B 21 -14,-2.8 -15,-2.7 -2,-0.3 -14,-1.0 -0.974 33.6-173.2-115.8 111.4 17.6 84.2 7.9 40 78 A I E -CE 23 54B 0 14,-2.4 14,-2.9 -2,-0.6 2,-0.3 -0.809 10.7-179.2-112.2 151.8 20.4 81.5 8.2 41 79 A V E +C 22 0B 0 -19,-2.3 -19,-3.6 -2,-0.3 5,-0.2 -0.977 2.4 176.0-142.8 153.8 20.5 77.8 7.4 42 80 A D B > -J 45 0C 4 3,-1.7 3,-1.9 -2,-0.3 -21,-0.1 -0.855 52.6 -75.0-144.8 179.4 23.1 75.0 7.6 43 81 A P T 3 S+ 0 0 24 0, 0.0 690,-0.2 0, 0.0 3,-0.1 0.814 130.1 44.7 -50.4 -35.7 23.3 71.2 7.0 44 82 A T T 3 S+ 0 0 17 1,-0.2 2,-0.3 689,-0.1 -39,-0.0 0.506 118.3 46.7 -88.3 -3.3 21.3 70.3 10.2 45 83 A L B < S+J 42 0C 19 -3,-1.9 -3,-1.7 2,-0.1 2,-0.3 -0.844 79.3 88.2-146.5 104.4 18.7 73.1 9.6 46 84 A Y S S- 0 0 5 -2,-0.3 2,-0.9 -5,-0.2 7,-0.1 -0.889 85.1 -49.1-169.2-171.7 17.0 73.7 6.3 47 85 A L S S+ 0 0 78 -2,-0.3 2,-0.3 5,-0.2 114,-0.1 -0.684 71.1 147.9 -83.2 103.6 13.9 72.4 4.4 48 86 A K 0 0 118 -2,-0.9 676,-0.0 1,-0.1 684,-0.0 -0.830 360.0 360.0-129.9 167.7 13.9 68.6 4.5 49 87 A Q 0 0 95 -2,-0.3 -1,-0.1 688,-0.1 675,-0.1 0.102 360.0 360.0 -27.5 360.0 11.2 65.9 4.6 50 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 51 95 A S 0 0 20 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 176.1 12.1 76.2 4.0 52 96 A D + 0 0 89 37,-0.0 2,-0.3 -4,-0.0 -5,-0.2 -0.741 360.0 153.7 -94.4 154.8 13.0 75.9 7.7 53 97 A Y - 0 0 29 -2,-0.3 37,-0.4 -7,-0.1 2,-0.3 -0.978 39.5-111.1-170.5 164.9 15.7 78.2 9.0 54 98 A A E -E 40 0B 0 -14,-2.9 -14,-2.4 -2,-0.3 2,-0.4 -0.712 31.5-123.4-105.4 160.9 17.0 79.9 12.0 55 99 A T E -Ef 39 91B 24 35,-3.0 37,-3.5 -2,-0.3 2,-0.4 -0.831 17.9-163.3-108.0 146.4 17.0 83.7 12.6 56 100 A L E -Ef 38 92B 0 -18,-2.8 -18,-2.9 -2,-0.4 2,-0.5 -0.955 4.0-173.2-132.9 114.9 19.9 85.9 13.3 57 101 A V E -Ef 37 93B 13 35,-2.3 37,-1.9 -2,-0.4 2,-0.5 -0.927 8.5-162.2-108.3 126.1 19.7 89.5 14.7 58 102 A L E -Ef 36 94B 0 -22,-3.2 -22,-0.9 -2,-0.5 2,-0.3 -0.931 3.9-162.3-112.0 122.6 22.9 91.6 14.9 59 103 A Y E +Ef 35 95B 76 35,-2.6 37,-3.3 -2,-0.5 38,-0.7 -0.802 18.5 153.7-104.6 145.8 23.1 94.6 17.1 60 104 A A - 0 0 8 -26,-1.4 3,-0.1 -2,-0.3 6,-0.0 -0.957 47.0-123.4-157.5 172.1 25.7 97.5 16.9 61 105 A K S S+ 0 0 133 -2,-0.3 2,-0.3 1,-0.2 3,-0.1 0.340 94.5 35.2-106.2 5.6 26.2 101.1 17.7 62 106 A R S > S- 0 0 127 1,-0.1 3,-2.0 -28,-0.1 -1,-0.2 -0.967 75.6-123.7-159.0 139.8 27.1 102.1 14.2 63 107 A F G > S+ 0 0 95 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.843 107.3 68.4 -49.4 -38.6 26.1 101.2 10.6 64 108 A E G 3 S+ 0 0 130 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.729 92.7 60.1 -57.0 -23.6 29.7 100.4 9.8 65 109 A D G < S+ 0 0 25 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.1 0.018 91.5 83.7 -95.7 26.6 29.7 97.4 12.2 66 110 A L S < S- 0 0 7 -3,-1.5 2,-0.2 64,-0.1 64,-0.1 -0.952 80.3-106.4-129.9 150.0 26.9 95.5 10.4 67 111 A P - 0 0 0 0, 0.0 2,-0.7 0, 0.0 -9,-0.1 -0.474 18.7-149.4 -76.4 143.4 27.0 93.1 7.4 68 112 A I - 0 0 72 -2,-0.2 2,-0.7 -40,-0.1 -40,-0.1 -0.901 15.1-161.5-111.7 100.5 25.6 94.1 4.1 69 113 A I + 0 0 6 -2,-0.7 -43,-0.1 -42,-0.4 3,-0.1 -0.760 23.8 162.8 -89.8 118.2 24.3 91.0 2.4 70 114 A H + 0 0 22 -2,-0.7 184,-3.0 1,-0.2 2,-0.4 0.504 65.0 46.4-103.5 -14.9 23.8 91.4 -1.4 71 115 A R E > S-k 254 0D 2 182,-0.3 3,-1.0 156,-0.1 2,-0.4 -0.980 70.3-134.7-141.3 132.2 23.6 87.8 -2.2 72 116 A A E 3 S+k 255 0D 0 182,-4.1 184,-2.0 -2,-0.4 -48,-0.2 -0.643 92.7 42.1 -77.3 133.3 21.8 84.7 -0.8 73 117 A G T 3 S+ 0 0 0 -50,-3.3 -1,-0.2 1,-0.5 -49,-0.1 0.005 78.8 118.7 120.3 -30.9 24.2 81.8 -0.5 74 118 A D < - 0 0 8 -3,-1.0 -51,-2.7 -51,-0.2 -1,-0.5 -0.206 62.4-116.5 -64.3 165.5 27.3 83.5 0.9 75 119 A I E -BG 22 105B 0 30,-2.9 30,-2.8 -53,-0.2 2,-0.3 -0.718 25.9-169.4-107.5 155.8 28.4 82.2 4.3 76 120 A I E -BG 21 104B 0 -55,-2.6 -55,-2.6 -2,-0.3 2,-0.4 -0.960 6.1-165.3-139.6 155.2 28.7 83.9 7.6 77 121 A R E -BG 20 103B 4 26,-1.6 26,-1.4 -2,-0.3 2,-0.3 -0.966 10.5-167.7-144.2 125.9 30.3 83.0 10.9 78 122 A V E -BG 19 102B 0 -59,-1.6 -59,-1.6 -2,-0.4 3,-0.3 -0.884 5.7-151.3-119.1 150.6 29.6 84.8 14.1 79 123 A H E S+ G 0 101B 9 22,-2.1 22,-0.6 -2,-0.3 -61,-0.1 -0.729 73.7 20.7-114.1 165.4 31.3 84.7 17.5 80 124 A R E S+ 0 0 85 -2,-0.3 15,-0.4 20,-0.2 2,-0.3 0.871 82.8 168.6 43.7 47.9 29.9 85.3 21.0 81 125 A A E -B 17 0B 1 -64,-2.8 -64,-3.2 -3,-0.3 2,-0.4 -0.659 26.8-147.5 -90.5 144.7 26.4 84.6 19.8 82 126 A T E -H 93 0B 62 11,-3.3 11,-4.0 -2,-0.3 2,-0.5 -0.895 12.3-143.0-108.8 140.6 23.5 84.1 22.3 83 127 A L E +H 92 0B 19 -2,-0.4 2,-0.3 -73,-0.2 9,-0.2 -0.898 25.2 165.5-109.7 132.6 20.7 81.7 21.3 84 128 A R E -H 91 0B 131 7,-2.5 7,-2.0 -2,-0.5 2,-0.7 -0.862 37.5-119.2-134.3 166.4 17.1 82.4 22.2 85 129 A L E -H 90 0B 105 -2,-0.3 2,-0.8 5,-0.2 5,-0.2 -0.912 31.0-175.8-114.0 104.5 13.9 80.9 21.0 86 130 A Y E > -H 89 0B 137 3,-0.8 3,-0.8 -2,-0.7 6,-0.0 -0.835 67.3 -32.7-108.8 101.5 11.8 83.6 19.4 87 131 A N T 3 S- 0 0 129 -2,-0.8 2,-0.6 1,-0.2 -1,-0.2 0.932 120.2 -46.5 58.9 53.2 8.3 82.4 18.3 88 132 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.2 -3,-0.1 2,-0.1 -0.189 118.0 93.0 90.4 -44.9 9.2 78.9 17.4 89 133 A Q E < S- H 0 86B 66 -3,-0.8 2,-0.8 -2,-0.6 -3,-0.8 -0.313 86.0-102.0 -78.8 168.9 12.3 79.5 15.3 90 134 A R E - 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