==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 04-NOV-04 1XX8 . COMPND 2 MOLECULE: SAC7D; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS ACIDOCALDARIUS; . AUTHOR J.L.BEDELL,S.P.EDMONDSON,J.W.SHRIVER . 66 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 40 60.6 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 . 19 28.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 4.5 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 . 8 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 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 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 . 3 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 220 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 7.2 -6.0 -9.9 -7.0 2 2 A V + 0 0 53 49,-0.0 2,-0.3 51,-0.0 0, 0.0 -0.744 360.0 146.4 -88.6 117.4 -3.2 -8.1 -5.3 3 3 A K - 0 0 77 -2,-0.6 2,-0.4 50,-0.1 13,-0.1 -0.860 56.3 -61.2-140.0 174.9 -4.3 -6.3 -2.2 4 4 A V B +A 15 0A 1 11,-0.6 11,-1.2 -2,-0.3 46,-0.1 -0.446 44.3 175.7 -64.5 117.8 -2.9 -5.3 1.3 5 5 A K + 0 0 106 -2,-0.4 9,-0.2 9,-0.2 -1,-0.1 -0.283 21.4 158.8-118.1 45.0 -2.0 -8.5 3.1 6 6 A F - 0 0 0 7,-0.2 7,-2.3 6,-0.1 2,-0.6 0.080 44.9-104.0 -59.0 176.1 -0.5 -6.8 6.2 7 7 A K B -BC 12 44B 109 37,-1.1 37,-0.7 5,-0.2 2,-0.4 -0.932 34.1-170.0-113.2 113.7 -0.2 -8.6 9.6 8 8 A Y S S- 0 0 64 3,-2.6 3,-0.3 -2,-0.6 35,-0.1 -0.869 70.3 -16.9-105.7 136.0 -2.7 -7.7 12.3 9 9 A K S S- 0 0 160 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.819 131.9 -49.2 39.6 42.5 -2.3 -8.8 15.9 10 10 A G S S+ 0 0 77 -3,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.936 122.1 91.0 68.0 49.2 0.2 -11.4 14.7 11 11 A E S S- 0 0 126 -3,-0.3 -3,-2.6 2,-0.0 -1,-0.2 -0.912 82.6 -92.1-171.2 142.4 -1.9 -12.8 11.9 12 12 A E B +B 7 0B 143 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.355 46.9 176.1 -61.0 131.9 -2.5 -12.3 8.2 13 13 A K - 0 0 82 -7,-2.3 2,-0.4 -2,-0.1 -7,-0.2 -0.997 17.8-149.5-143.1 134.8 -5.4 -9.9 7.5 14 14 A E - 0 0 128 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.844 15.0-179.9-107.4 141.6 -6.7 -8.5 4.2 15 15 A V B -A 4 0A 14 -11,-1.2 -11,-0.6 -2,-0.4 -9,-0.1 -0.999 31.1-110.4-142.1 135.9 -8.4 -5.2 3.8 16 16 A D > - 0 0 97 -2,-0.4 3,-1.7 1,-0.1 -13,-0.1 -0.354 22.9-129.3 -63.8 141.4 -9.9 -3.4 0.8 17 17 A T G > S+ 0 0 28 1,-0.3 3,-0.8 2,-0.1 -1,-0.1 0.732 105.5 72.1 -63.1 -22.5 -7.9 -0.4 -0.5 18 18 A S G 3 S+ 0 0 107 1,-0.3 -1,-0.3 16,-0.0 2,-0.2 0.754 91.8 58.5 -64.9 -23.8 -11.1 1.5 -0.4 19 19 A K G < S+ 0 0 94 -3,-1.7 16,-2.1 15,-0.0 2,-0.5 -0.312 80.2 120.6-101.5 47.9 -10.9 1.5 3.3 20 20 A I E < +D 34 0B 39 -3,-0.8 14,-0.2 14,-0.3 3,-0.1 -0.959 29.6 169.9-116.7 124.1 -7.5 3.2 3.5 21 21 A K E + 0 0 114 12,-2.2 2,-0.4 -2,-0.5 13,-0.2 0.910 68.0 3.2 -93.4 -64.3 -7.1 6.5 5.3 22 22 A K E -D 33 0B 143 11,-1.5 11,-2.9 2,-0.0 2,-0.6 -0.992 50.9-161.6-132.7 134.9 -3.4 7.3 5.5 23 23 A V E +D 32 0B 32 -2,-0.4 9,-0.2 9,-0.2 2,-0.1 -0.761 28.8 169.6-115.0 83.3 -0.4 5.4 4.1 24 24 A A - 0 0 52 7,-0.7 2,-0.4 -2,-0.6 7,-0.3 -0.245 24.4-137.7 -86.3 177.7 2.6 6.6 6.0 25 25 A R + 0 0 82 5,-0.2 5,-0.2 1,-0.1 -2,-0.0 -0.975 20.7 172.0-143.7 124.3 6.2 5.3 6.1 26 26 A V - 0 0 94 3,-1.1 -1,-0.1 -2,-0.4 4,-0.1 0.735 60.8 -41.0 -95.1-101.3 8.5 4.9 9.2 27 27 A G S S- 0 0 54 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.755 112.7 -27.7 -97.3 -95.8 11.8 3.1 8.8 28 28 A K S S+ 0 0 164 2,-0.0 19,-1.3 -3,-0.0 20,-0.3 0.262 124.6 66.3-108.2 8.1 12.1 -0.0 6.7 29 29 A M E S- E 0 46B 88 17,-0.2 -3,-1.1 18,-0.1 2,-0.6 -0.788 82.6-112.1-124.5 168.9 8.4 -1.0 7.2 30 30 A V E - E 0 45B 0 15,-2.2 15,-1.5 -2,-0.3 2,-0.8 -0.906 23.8-173.6-109.2 116.5 5.1 0.4 6.2 31 31 A S E + E 0 44B 13 -2,-0.6 -7,-0.7 -7,-0.3 13,-0.2 -0.818 20.9 162.4-110.4 91.8 2.8 1.8 8.9 32 32 A F E -DE 23 43B 0 11,-1.6 11,-1.6 -2,-0.8 2,-0.4 -0.500 32.3-131.9-102.9 173.7 -0.6 2.7 7.4 33 33 A T E -DE 22 42B 21 -11,-2.9 -12,-2.2 9,-0.2 -11,-1.5 -0.952 21.2-171.7-133.0 113.2 -4.0 3.3 8.9 34 34 A Y E -DE 20 41B 0 7,-1.4 2,-1.0 -2,-0.4 7,-0.9 -0.645 31.4-108.4-101.5 159.7 -7.1 1.6 7.5 35 35 A D E + E 0 40B 48 -16,-2.1 5,-0.1 -2,-0.2 3,-0.1 -0.751 44.8 157.9 -91.5 98.7 -10.7 2.3 8.3 36 36 A D - 0 0 54 -2,-1.0 2,-2.5 3,-1.0 -1,-0.2 0.344 43.4-140.0 -98.7 3.7 -12.0 -0.7 10.3 37 37 A N S S+ 0 0 108 2,-0.2 -1,-0.1 1,-0.2 3,-0.0 -0.414 92.0 73.6 73.3 -68.7 -14.8 1.4 11.8 38 38 A G S S- 0 0 63 -2,-2.5 2,-0.3 -3,-0.1 -1,-0.2 0.805 119.2 -31.3 -44.0 -35.4 -14.5 -0.1 15.3 39 39 A K S S- 0 0 115 0, 0.0 2,-1.8 0, 0.0 -3,-1.0 -0.961 88.1 -53.7-169.0-179.0 -11.3 1.8 15.7 40 40 A T E - E 0 35B 107 -2,-0.3 -5,-0.1 -5,-0.1 2,-0.1 -0.544 59.8-148.1 -73.7 86.8 -8.2 3.3 14.0 41 41 A G E - E 0 34B 0 -2,-1.8 -7,-1.4 -7,-0.9 2,-0.4 -0.373 15.3-168.1 -61.0 128.1 -7.0 0.2 12.3 42 42 A R E - E 0 33B 139 -9,-0.2 2,-0.4 -2,-0.1 -9,-0.2 -0.981 3.7-172.1-124.3 126.4 -3.2 0.2 12.0 43 43 A G E - E 0 32B 0 -11,-1.6 -11,-1.6 -2,-0.4 2,-0.4 -0.916 6.4-162.7-119.9 145.2 -1.3 -2.3 9.8 44 44 A A E +CE 7 31B 39 -37,-0.7 -37,-1.1 -2,-0.4 2,-0.3 -0.986 17.8 159.1-129.5 124.8 2.4 -3.0 9.5 45 45 A V E - E 0 30B 2 -15,-1.5 -15,-2.2 -2,-0.4 5,-0.1 -0.998 44.2 -99.2-146.2 139.7 4.1 -4.8 6.6 46 46 A S E - E 0 29B 50 -2,-0.3 3,-0.4 -17,-0.2 -17,-0.2 -0.253 28.4-130.7 -56.0 139.3 7.6 -4.9 5.3 47 47 A E S > S+ 0 0 71 -19,-1.3 3,-0.8 1,-0.3 -1,-0.1 0.857 111.0 48.1 -61.3 -37.1 8.2 -2.7 2.2 48 48 A K T 3 S+ 0 0 189 -20,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.698 115.4 45.9 -76.4 -18.8 9.8 -5.6 0.3 49 49 A D T 3 S+ 0 0 98 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.223 88.2 120.6-104.5 10.7 6.9 -7.8 1.4 50 50 A A < - 0 0 10 -3,-0.8 2,-0.1 -5,-0.1 -46,-0.1 -0.617 66.8-118.7 -79.9 130.9 4.4 -5.1 0.5 51 51 A P >> - 0 0 24 0, 0.0 4,-2.7 0, 0.0 3,-0.8 -0.409 28.4-105.6 -70.4 144.6 1.8 -6.1 -2.2 52 52 A K H 3> S+ 0 0 130 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.809 119.6 57.6 -33.1 -50.4 1.7 -4.1 -5.5 53 53 A E H 3> S+ 0 0 60 1,-0.2 4,-0.8 2,-0.2 3,-0.4 0.939 115.5 32.9 -50.2 -58.1 -1.5 -2.4 -4.3 54 54 A L H <4 S+ 0 0 2 -3,-0.8 4,-0.3 1,-0.2 -1,-0.2 0.768 114.3 61.5 -72.5 -26.4 0.0 -1.0 -1.1 55 55 A L H X S+ 0 0 80 -4,-2.7 4,-1.0 1,-0.2 3,-0.4 0.779 102.6 51.5 -70.8 -26.5 3.4 -0.6 -2.8 56 56 A D H X S+ 0 0 64 -4,-1.9 4,-0.6 -3,-0.4 -1,-0.2 0.743 100.9 61.2 -81.0 -25.1 1.9 1.8 -5.3 57 57 A M H < S+ 0 0 53 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.554 106.1 49.1 -77.4 -7.8 0.3 3.9 -2.5 58 58 A L H >> S+ 0 0 4 -3,-0.4 3,-2.0 -4,-0.3 4,-1.5 0.758 96.2 66.3 -99.4 -33.4 3.8 4.6 -1.3 59 59 A A H 3< S+ 0 0 29 -4,-1.0 -2,-0.2 1,-0.3 -3,-0.1 0.765 96.8 58.9 -60.3 -25.6 5.5 5.6 -4.6 60 60 A R T 3< S+ 0 0 150 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.211 112.9 39.0 -89.2 16.1 3.2 8.7 -4.5 61 61 A A T <4>S+ 0 0 43 -3,-2.0 5,-0.6 2,-0.0 -2,-0.2 0.482 108.2 57.2-135.0 -20.5 4.7 9.8 -1.2 62 62 A E T <5S+ 0 0 62 -4,-1.5 -2,-0.1 3,-0.2 -3,-0.1 0.000 98.1 64.0-104.7 27.4 8.4 8.9 -1.5 63 63 A R T 5S+ 0 0 206 -5,-0.1 -1,-0.1 0, 0.0 -3,-0.1 0.639 114.7 22.9-117.4 -30.7 9.0 11.0 -4.6 64 64 A E T 5S+ 0 0 175 -3,-0.0 -2,-0.1 0, 0.0 -4,-0.0 0.099 133.0 36.3-123.9 18.9 8.3 14.5 -3.3 65 65 A K T 5 0 0 181 1,-0.2 -3,-0.2 -4,-0.1 -4,-0.0 0.546 360.0 360.0-131.6 -65.4 8.9 13.9 0.4 66 66 A K < 0 0 189 -5,-0.6 -1,-0.2 0, 0.0 -4,-0.0 -0.384 360.0 360.0 -56.4 360.0 11.8 11.4 1.1