==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN/DNA 25-OCT-12 4HQB . COMPND 2 MOLECULE: SINGLE-STRANDED DNA-BINDING PROTEIN DDRB; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR S.N.SUGIMAN-MARANGOS,M.S.JUNOP . 629 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31422.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 411 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 199 31.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 53 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 0 0 0 0 0 5 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 5 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 . 13 1 7 8 8 7 0 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 1 1 0 2 2 0 0 0 0 0 0 0 0 1 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 95 0, 0.0 160,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 106.9 22.5 33.1 29.4 2 2 A L E -A 18 0A 5 16,-2.7 16,-3.8 158,-0.1 2,-0.4 -0.767 360.0-151.8-110.6 153.1 20.5 31.4 26.6 3 3 A Q E -AB 17 159A 47 156,-1.9 156,-2.7 -2,-0.3 2,-0.4 -0.973 9.9-165.6-118.5 142.1 18.0 32.5 24.0 4 4 A I E -AB 16 158A 0 12,-2.5 12,-2.5 -2,-0.4 2,-0.5 -0.993 12.9-140.2-129.2 129.6 15.3 30.3 22.6 5 5 A E E -AB 15 157A 41 152,-2.7 152,-0.6 -2,-0.4 34,-0.3 -0.764 25.5-176.9 -90.0 124.6 13.2 31.0 19.5 6 6 A F E -A 14 0A 6 8,-3.6 8,-1.8 -2,-0.5 2,-0.5 -0.739 26.7-143.0-113.4 160.1 9.5 30.1 19.6 7 7 A I E -AC 13 37A 42 30,-2.8 30,-2.3 -2,-0.3 6,-0.2 -0.996 32.5-139.6-116.2 118.5 6.5 30.2 17.3 8 8 A T > - 0 0 2 4,-2.5 3,-1.8 -2,-0.5 27,-0.1 -0.067 27.9 -98.9 -70.1 175.0 3.4 31.1 19.3 9 9 A D T 3 S+ 0 0 52 25,-0.3 -1,-0.1 1,-0.3 26,-0.1 0.717 130.0 54.5 -67.1 -18.6 -0.0 29.5 18.9 10 10 A L T 3 S- 0 0 7 2,-0.1 -1,-0.3 549,-0.1 541,-0.1 0.318 122.4-111.9 -93.5 6.4 -0.8 32.6 16.9 11 11 A G < + 0 0 12 -3,-1.8 542,-0.3 1,-0.2 -2,-0.1 0.451 65.7 152.8 79.6 1.4 2.2 31.8 14.7 12 12 A A - 0 0 0 540,-0.1 -4,-2.5 -5,-0.1 2,-0.9 -0.344 49.4-121.4 -67.2 144.8 4.2 34.9 16.0 13 13 A R E +AD 7 518A 81 505,-0.6 505,-2.9 -6,-0.2 2,-0.4 -0.787 44.0 172.6 -91.1 102.2 8.0 34.7 15.9 14 14 A V E -AD 6 517A 1 -8,-1.8 -8,-3.6 -2,-0.9 2,-0.5 -0.889 23.3-154.9-121.4 140.4 9.0 35.3 19.5 15 15 A T E -AD 5 516A 22 501,-2.9 501,-2.1 -2,-0.4 2,-0.4 -0.965 10.7-165.2-116.5 126.3 12.4 35.0 21.3 16 16 A V E -AD 4 515A 7 -12,-2.5 -12,-2.5 -2,-0.5 2,-0.4 -0.901 15.0-133.5-109.6 139.9 12.7 34.3 25.1 17 17 A N E -A 3 0A 55 497,-1.1 2,-0.5 -2,-0.4 -14,-0.2 -0.724 15.0-155.2 -88.9 137.9 15.7 34.8 27.3 18 18 A V E -A 2 0A 2 -16,-3.8 -16,-2.7 -2,-0.4 6,-0.1 -0.966 7.4-150.9-118.7 119.4 16.7 32.0 29.6 19 19 A E S S+ 0 0 93 -2,-0.5 2,-0.4 -18,-0.2 -1,-0.1 0.891 80.9 12.2 -56.5 -51.3 18.8 32.9 32.7 20 20 A H S > S- 0 0 48 -19,-0.1 3,-2.0 1,-0.1 -1,-0.2 -0.983 71.6-124.8-131.7 145.8 20.6 29.6 33.1 21 21 A E G > S+ 0 0 67 -2,-0.4 3,-2.4 1,-0.3 4,-0.3 0.832 106.5 68.0 -53.9 -38.0 20.9 26.6 30.7 22 22 A S G 3 S+ 0 0 111 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.682 95.8 57.2 -57.6 -18.8 19.6 24.2 33.3 23 23 A R G <> S+ 0 0 35 -3,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.382 76.3 103.3 -93.9 1.9 16.2 25.9 33.0 24 24 A L H <> S+ 0 0 13 -3,-2.4 4,-2.2 1,-0.2 3,-0.5 0.927 81.6 42.7 -53.6 -57.6 15.9 25.3 29.2 25 25 A L H > S+ 0 0 22 -4,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.866 111.0 55.9 -59.0 -38.8 13.4 22.4 29.3 26 26 A D H > S+ 0 0 98 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.843 109.1 48.5 -65.3 -29.6 11.3 24.1 32.0 27 27 A V H X S+ 0 0 27 -4,-1.8 4,-2.4 -3,-0.5 5,-0.4 0.888 110.1 49.6 -74.2 -42.5 11.0 27.0 29.7 28 28 A Q H X S+ 0 0 9 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.934 113.4 48.8 -57.7 -45.6 10.0 24.8 26.7 29 29 A R H X S+ 0 0 33 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.889 109.4 52.5 -57.8 -43.3 7.5 23.2 29.0 30 30 A H H < S+ 0 0 93 -4,-1.7 4,-0.3 1,-0.2 -2,-0.2 0.948 121.0 29.8 -66.3 -47.4 6.2 26.6 30.1 31 31 A Y H ><>S+ 0 0 19 -4,-2.4 5,-2.3 1,-0.2 3,-0.9 0.806 115.3 62.4 -80.0 -29.1 5.6 28.0 26.6 32 32 A G H ><5S+ 0 0 3 -4,-2.9 3,-1.5 -5,-0.4 -2,-0.2 0.815 95.0 60.6 -65.4 -30.6 4.9 24.6 25.2 33 33 A R T 3<5S+ 0 0 73 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.755 102.4 54.4 -65.1 -22.2 1.9 24.3 27.5 34 34 A L T < 5S- 0 0 85 -3,-0.9 -25,-0.3 -4,-0.3 -1,-0.3 0.247 128.8 -98.3 -92.7 11.5 0.5 27.3 25.7 35 35 A G T < 5S+ 0 0 26 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.480 77.2 145.7 83.4 2.7 0.9 25.6 22.3 36 36 A W < - 0 0 11 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.3 -0.520 28.9-164.5 -74.1 139.9 4.2 27.4 21.6 37 37 A T B -C 7 0A 10 -30,-2.3 -30,-2.8 -2,-0.2 2,-0.5 -0.928 12.3-150.8-123.0 153.1 6.8 25.4 19.6 38 38 A S - 0 0 9 -2,-0.3 -32,-0.2 -32,-0.2 2,-0.1 -0.975 63.3 -17.4-121.7 120.0 10.5 25.8 19.0 39 39 A G S S- 0 0 15 -2,-0.5 2,-0.3 -34,-0.3 117,-0.1 -0.301 90.5 -60.6 85.9-175.0 12.1 24.5 15.8 40 40 A E - 0 0 131 115,-0.3 3,-0.1 -2,-0.1 -2,-0.1 -0.692 59.1 -88.2-101.3 162.1 10.7 22.0 13.3 41 41 A I - 0 0 37 -2,-0.3 3,-0.2 1,-0.1 4,-0.1 -0.630 56.9-113.9 -64.8 122.0 9.7 18.5 13.9 42 42 A P > - 0 0 45 0, 0.0 3,-2.4 0, 0.0 2,-0.1 -0.001 45.5 -69.0 -51.2 159.7 12.9 16.5 13.3 43 43 A S T 3 S+ 0 0 52 1,-0.3 72,-0.1 179,-0.1 74,-0.1 -0.374 124.5 3.7 -51.8 120.8 13.3 14.0 10.4 44 44 A G T 3 S- 0 0 18 -3,-0.2 -1,-0.3 -2,-0.1 84,-0.1 0.601 128.5 -72.8 74.2 12.0 11.1 11.1 11.2 45 45 A G S < S- 0 0 1 -3,-2.4 84,-0.3 82,-0.2 83,-0.2 -0.080 73.4 -46.8 92.7 165.4 9.7 12.7 14.3 46 46 A Y E -p 129 0B 10 82,-2.5 84,-3.2 -4,-0.1 2,-0.6 -0.506 59.7-138.0 -66.0 143.0 11.2 13.3 17.8 47 47 A Q E +p 130 0B 80 82,-0.2 84,-0.2 -2,-0.2 -2,-0.1 -0.922 30.7 165.2-113.1 120.4 13.0 10.1 19.0 48 48 A F E -p 131 0B 9 82,-2.2 84,-2.3 -2,-0.6 88,-0.1 -0.851 43.0 -83.9-130.6 163.3 12.6 9.1 22.6 49 49 A P > - 0 0 13 0, 0.0 3,-1.5 0, 0.0 85,-0.2 -0.363 36.4-126.0 -61.4 144.0 13.2 6.1 24.9 50 50 A I G > S+ 0 0 63 83,-2.3 3,-2.7 1,-0.3 4,-0.3 0.925 109.3 62.5 -59.5 -41.4 10.3 3.6 24.8 51 51 A E G 3 S+ 0 0 116 82,-0.5 -1,-0.3 1,-0.3 4,-0.2 0.548 97.8 58.3 -66.2 -8.1 10.1 3.7 28.6 52 52 A N G < S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.1 3,-0.2 0.420 84.3 87.7 -91.1 -0.4 9.2 7.5 28.4 53 53 A E S X S+ 0 0 19 -3,-2.7 3,-1.0 1,-0.2 -2,-0.1 0.914 79.8 52.3 -67.9 -43.0 6.1 6.8 26.2 54 54 A A T 3 S+ 0 0 89 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.752 124.2 23.3 -73.7 -24.6 3.4 6.2 28.8 55 55 A D T 3 S+ 0 0 61 -3,-0.2 87,-2.0 -4,-0.2 -1,-0.3 -0.044 85.1 154.2-129.8 31.2 3.9 9.4 30.9 56 56 A F B < -V 141 0C 4 -3,-1.0 2,-1.3 85,-0.2 85,-0.2 -0.342 47.6-125.3 -62.8 138.5 5.6 11.6 28.3 57 57 A D > - 0 0 17 83,-2.8 3,-2.6 1,-0.2 4,-0.3 -0.699 25.4-173.8 -90.6 89.9 5.1 15.4 28.9 58 58 A W G > >S+ 0 0 10 -2,-1.3 5,-2.6 1,-0.3 3,-1.5 0.736 76.9 73.6 -60.2 -23.1 3.7 16.4 25.5 59 59 A S G > 5S+ 0 0 22 1,-0.3 3,-1.2 3,-0.2 -1,-0.3 0.700 79.8 76.5 -63.7 -17.6 3.9 20.1 26.6 60 60 A L G < 5S+ 0 0 9 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.816 106.4 30.9 -61.3 -31.7 7.7 19.7 26.1 61 61 A I G < 5S- 0 0 9 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.050 124.3 -98.8-116.8 22.6 7.2 19.9 22.3 62 62 A G T < 5S+ 0 0 6 -3,-1.2 16,-0.5 1,-0.2 -3,-0.2 0.663 85.4 123.5 74.4 16.3 4.1 22.1 22.5 63 63 A A < - 0 0 6 -5,-2.6 2,-0.3 14,-0.1 -1,-0.2 -0.539 42.9-156.9-101.7 171.5 1.7 19.2 22.1 64 64 A R E -Q 76 0B 146 12,-2.1 12,-3.2 -2,-0.2 2,-0.4 -0.991 16.7-120.2-146.0 150.6 -1.2 18.0 24.2 65 65 A K E -Q 75 0B 119 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.744 26.9-177.7 -86.6 136.7 -3.1 14.8 24.7 66 66 A W E -Q 74 0B 115 8,-2.8 8,-3.2 -2,-0.4 2,-0.7 -0.990 18.5-144.2-135.9 132.3 -6.9 14.5 24.0 67 67 A K E -Q 73 0B 64 -2,-0.4 6,-0.3 6,-0.2 4,-0.1 -0.823 22.0-145.8 -95.4 113.8 -9.1 11.5 24.6 68 68 A S E >> -Q 72 0B 23 4,-4.1 4,-1.1 -2,-0.7 3,-0.9 -0.353 27.1 -91.9 -74.8 156.9 -11.8 11.2 21.9 69 69 A P T 34 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.365 117.4 44.0 -59.1 154.2 -15.3 9.9 22.4 70 70 A E T 34 S- 0 0 113 1,-0.1 -2,-0.1 -3,-0.1 0, 0.0 0.614 134.1 -80.1 69.2 17.4 -15.4 6.1 21.7 71 71 A G T <4 S+ 0 0 70 -3,-0.9 2,-0.3 1,-0.2 -1,-0.1 0.978 78.8 146.4 61.5 79.7 -12.1 6.0 23.6 72 72 A E E < -Q 68 0B 53 -4,-1.1 -4,-4.1 2,-0.0 2,-0.9 -0.947 38.5-141.7-148.0 125.3 -9.1 7.1 21.6 73 73 A E E +Q 67 0B 128 -2,-0.3 11,-0.6 -6,-0.3 2,-0.3 -0.752 28.1 179.0 -94.0 105.5 -6.1 9.0 22.8 74 74 A L E -QR 66 83B 13 -8,-3.2 -8,-2.8 -2,-0.9 2,-0.5 -0.680 23.5-136.8-101.2 156.0 -4.9 11.5 20.3 75 75 A V E -QR 65 82B 0 7,-2.8 7,-3.6 -2,-0.3 2,-0.4 -0.969 15.7-156.3-112.1 128.1 -2.0 14.0 20.3 76 76 A I E +QR 64 81B 35 -12,-3.2 -12,-2.1 -2,-0.5 2,-0.3 -0.884 18.7 167.7-102.9 135.0 -2.7 17.5 19.1 77 77 A H E > - R 0 80B 9 3,-2.2 3,-1.6 -2,-0.4 -14,-0.1 -0.949 68.7 -19.5-154.1 122.6 0.3 19.6 17.8 78 78 A R T 3 S- 0 0 92 -16,-0.5 3,-0.1 -2,-0.3 -15,-0.1 0.828 128.4 -49.7 39.8 45.7 0.1 22.8 15.8 79 79 A G T 3 S+ 0 0 70 1,-0.3 2,-0.4 481,-0.0 -1,-0.3 0.691 115.2 114.4 77.0 16.4 -3.5 22.1 14.8 80 80 A H E < -R 77 0B 45 -3,-1.6 -3,-2.2 25,-0.0 2,-0.5 -0.960 60.6-134.9-118.9 141.3 -2.8 18.5 13.6 81 81 A A E -R 76 0B 47 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.856 20.5-165.3 -94.8 128.1 -4.1 15.3 15.2 82 82 A Y E -R 75 0B 3 -7,-3.6 -7,-2.8 -2,-0.5 2,-0.3 -0.896 7.0-145.7-113.4 141.7 -1.6 12.5 15.6 83 83 A R E -RS 74 104B 115 21,-2.6 21,-2.0 -2,-0.4 2,-0.7 -0.835 18.1-115.8-111.0 142.5 -2.5 8.9 16.4 84 84 A R E + S 0 103B 108 -11,-0.6 2,-0.3 -2,-0.3 19,-0.2 -0.661 42.4 176.9 -79.1 112.6 -0.7 6.2 18.5 85 85 A R E - S 0 102B 99 17,-3.6 17,-3.3 -2,-0.7 2,-0.4 -0.831 26.8-123.9-121.8 150.9 0.5 3.4 16.3 86 86 A E E - S 0 101B 168 -2,-0.3 2,-0.5 15,-0.2 15,-0.2 -0.763 17.4-160.1 -94.5 134.3 2.5 0.2 16.9 87 87 A L E - S 0 100B 64 13,-3.1 13,-2.4 -2,-0.4 3,-0.1 -0.973 19.1-129.8-111.9 128.8 5.6 -0.5 14.9 88 88 A E - 0 0 86 -2,-0.5 9,-0.0 11,-0.2 13,-0.0 -0.346 33.6 -90.9 -70.3 155.2 6.8 -4.1 14.8 89 89 A A - 0 0 61 10,-0.1 2,-0.4 1,-0.1 10,-0.2 -0.237 40.6-122.3 -53.9 152.1 10.4 -5.1 15.5 90 90 A V E -W 97 0D 60 7,-1.8 7,-1.5 8,-0.2 2,-0.4 -0.887 30.1-175.4-101.8 133.6 12.7 -5.1 12.5 91 91 A D E +W 96 0D 143 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.922 31.8 87.2-136.9 114.4 14.5 -8.4 11.8 92 92 A S E > S-W 95 0D 63 3,-1.0 3,-0.6 -2,-0.4 2,-0.4 -0.897 72.4 -53.3-165.4-166.2 17.2 -9.0 9.2 93 93 A R T 3 S+ 0 0 100 1,-0.3 -2,-0.0 -2,-0.3 3,-0.0 -0.983 119.8 13.8-128.8 127.6 20.9 -8.7 8.6 94 94 A K T 3 S+ 0 0 48 -2,-0.4 -1,-0.3 122,-0.0 2,-0.2 -0.251 121.3 56.0-116.2 85.5 22.1 -6.3 9.1 95 95 A L E < +W 92 0D 79 -3,-0.6 -3,-1.0 118,-0.1 2,-0.4 -0.757 44.3 171.5-161.7 117.9 19.5 -4.4 11.1 96 96 A K E +W 91 0D 117 -2,-0.2 -5,-0.2 -5,-0.2 118,-0.1 -0.996 10.7 168.7-125.2 122.8 17.7 -5.5 14.3 97 97 A L E -W 90 0D 55 -7,-1.5 -7,-1.8 -2,-0.4 3,-0.1 -0.974 31.8-120.4-128.1 145.2 15.4 -3.0 16.1 98 98 A P - 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