==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN/DNA 28-OCT-11 3UDG . COMPND 2 MOLECULE: SINGLE-STRANDED DNA-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR N.P.GEORGE,K.V.NGO,S.CHITTENI-PATU,C.A.NORAIS,J.R.BATTISTA,M . 639 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 478 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 281 44.0 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 . 14 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 78 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 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 RESIDUES PER ALPHA HELIX . 0 9 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 9 3 3 0 6 3 1 2 0 2 2 5 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 0 0 2 1 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 3 A R 0 0 236 0, 0.0 156,-0.1 0, 0.0 154,-0.0 0.000 360.0 360.0 360.0 139.9 -2.5 1.2 -13.8 2 4 A G - 0 0 17 154,-1.6 2,-0.4 127,-0.0 129,-0.2 -0.060 360.0-174.4 -88.8 158.4 -0.1 -0.6 -11.6 3 5 A M E +A 130 0A 56 127,-2.1 127,-2.1 154,-0.0 2,-0.2 -0.987 14.2 176.8-135.4 148.7 -0.0 -2.5 -8.3 4 6 A N E +A 129 0A 19 -2,-0.4 2,-0.4 125,-0.2 125,-0.2 -0.676 7.6 156.1-159.8 96.4 3.2 -3.6 -6.9 5 7 A H E +A 128 0A 62 123,-3.1 123,-2.7 -2,-0.2 2,-0.4 -0.974 10.4 176.4-133.2 143.5 3.8 -5.5 -3.6 6 8 A V E -AB 127 76A 0 70,-1.6 70,-2.5 -2,-0.4 2,-0.4 -0.987 6.6-170.4-140.6 139.4 6.5 -7.7 -2.2 7 9 A Y E +AB 126 75A 82 119,-2.7 119,-3.0 -2,-0.4 2,-0.4 -0.996 10.3 177.7-133.1 135.4 6.6 -9.1 1.2 8 10 A L E -AB 125 74A 0 66,-2.1 66,-2.9 -2,-0.4 2,-0.4 -0.993 19.3-170.3-141.2 136.1 9.6 -10.8 2.5 9 11 A I E +AB 124 73A 48 115,-2.4 115,-2.5 -2,-0.4 2,-0.3 -0.992 42.7 119.7-124.8 129.0 10.6 -12.4 5.8 10 12 A G E - B 0 72A 0 62,-1.9 62,-2.7 -2,-0.4 2,-0.3 -0.885 57.2 -88.6-171.2 178.1 14.2 -13.3 5.8 11 13 A A E -CB 33 71A 0 22,-2.5 22,-3.6 -2,-0.3 2,-0.5 -0.847 40.6-103.3-112.4 150.5 17.6 -12.7 7.5 12 14 A L E -C 32 0A 0 58,-2.5 57,-3.9 -2,-0.3 20,-0.2 -0.655 28.7-150.1 -69.2 120.9 20.2 -10.1 6.8 13 15 A A S S- 0 0 11 18,-2.7 105,-1.0 -2,-0.5 2,-0.2 0.875 74.1 -22.3 -67.7 -33.8 22.8 -12.2 4.9 14 16 A R S S- 0 0 166 17,-0.4 17,-0.4 103,-0.1 -1,-0.2 -0.861 102.4 -38.7-154.8-173.0 25.5 -9.8 6.3 15 17 A D - 0 0 86 -2,-0.2 52,-0.2 53,-0.1 2,-0.1 -0.184 57.9-125.3 -57.8 136.5 25.8 -6.3 7.7 16 18 A P - 0 0 25 0, 0.0 2,-0.4 0, 0.0 14,-0.2 -0.339 21.2-141.4 -76.0 167.7 23.8 -3.6 6.1 17 19 A E E -D 29 0A 127 12,-2.0 12,-2.5 -2,-0.1 2,-0.5 -0.993 3.6-149.2-131.8 139.9 25.4 -0.4 4.8 18 20 A L E +D 28 0A 69 -2,-0.4 2,-0.2 10,-0.2 10,-0.2 -0.942 28.3 165.7-101.7 126.3 24.2 3.2 4.8 19 21 A R E -D 27 0A 111 8,-2.8 8,-3.0 -2,-0.5 2,-0.4 -0.840 26.0-131.2-133.3 176.6 25.4 5.4 1.9 20 22 A Y E -D 26 0A 123 -2,-0.2 6,-0.2 6,-0.2 5,-0.1 -0.983 14.1-137.2-130.5 139.1 24.6 8.9 0.2 21 23 A T - 0 0 48 4,-2.5 3,-0.5 -2,-0.4 6,-0.0 0.010 38.4 -94.7 -76.1-171.5 24.0 9.9 -3.4 22 24 A G S S+ 0 0 87 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.960 129.6 53.3 -67.6 -55.8 25.4 13.0 -5.2 23 25 A N S S- 0 0 160 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.440 124.7-108.5 -43.6 -12.0 22.2 14.9 -4.3 24 26 A G + 0 0 43 -3,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.392 65.8 156.0 85.4 -3.1 22.8 13.9 -0.7 25 27 A M - 0 0 76 -5,-0.1 -4,-2.5 1,-0.1 2,-0.4 -0.327 42.2-124.5 -61.4 131.0 19.9 11.3 -0.7 26 28 A A E -D 20 0A 5 -6,-0.2 29,-2.4 -8,-0.0 2,-0.5 -0.666 25.7-169.5 -82.1 130.3 20.4 8.6 2.0 27 29 A V E -DE 19 54A 4 -8,-3.0 -8,-2.8 -2,-0.4 2,-0.5 -0.979 5.6-163.3-121.2 120.9 20.3 4.9 0.8 28 30 A F E -DE 18 53A 5 25,-3.8 25,-2.4 -2,-0.5 2,-0.4 -0.890 14.0-168.2-103.1 134.0 20.1 2.1 3.2 29 31 A E E +DE 17 52A 53 -12,-2.5 -12,-2.0 -2,-0.5 2,-0.3 -0.973 13.2 163.0-129.5 130.1 21.0 -1.3 1.7 30 32 A A E - E 0 51A 6 21,-2.3 21,-4.1 -2,-0.4 2,-0.6 -0.988 32.6-132.7-143.4 153.2 20.6 -4.8 2.9 31 33 A T E - E 0 50A 37 -17,-0.4 -18,-2.7 -2,-0.3 2,-0.5 -0.935 24.5-163.9-105.0 116.7 20.7 -8.3 1.5 32 34 A V E -CE 12 49A 0 17,-2.8 17,-2.7 -2,-0.6 2,-0.4 -0.893 13.7-179.6-104.9 128.3 17.8 -10.2 2.8 33 35 A A E +CE 11 48A 0 -22,-3.6 -22,-2.5 -2,-0.5 87,-2.2 -0.969 9.4 140.4-130.8 140.3 18.0 -13.9 2.4 34 36 A G E -fE 120 47A 0 13,-2.1 13,-2.2 -2,-0.4 2,-0.4 -0.961 38.4-113.3-155.8-165.6 16.0 -16.9 3.2 35 37 A E E -fE 121 46A 5 85,-2.9 88,-2.4 -2,-0.3 87,-1.3 -0.979 23.8-149.8-134.3 123.0 14.6 -20.3 2.3 36 38 A D E - E 0 45A 12 9,-3.0 9,-2.3 -2,-0.4 2,-1.3 -0.762 14.3-137.1 -95.9 135.8 11.0 -21.1 1.6 37 39 A R E - E 0 44A 180 -2,-0.4 2,-0.8 86,-0.3 7,-0.2 -0.748 27.9-159.8 -81.5 90.8 9.4 -24.5 2.3 38 40 A V E - E 0 43A 6 5,-2.8 5,-2.8 -2,-1.3 2,-1.7 -0.731 16.5-131.2 -85.5 110.8 7.4 -24.6 -1.0 39 41 A I 0 0 164 -2,-0.8 -1,-0.1 3,-0.2 -2,-0.0 -0.374 360.0 360.0 -71.6 82.5 4.6 -27.1 -0.4 40 42 A G 0 0 70 -2,-1.7 3,-0.1 3,-0.0 -1,-0.0 -0.172 360.0 360.0 42.0 360.0 5.0 -29.3 -3.5 41 ! 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 42 47 A E 0 0 194 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 98.1 8.0 -30.0 -0.8 43 48 A R E -E 38 0A 107 -5,-2.8 -5,-2.8 -3,-0.1 2,-0.7 -0.744 360.0-136.9-102.0 147.8 10.9 -27.9 -2.2 44 49 A N E -E 37 0A 89 -2,-0.3 -7,-0.2 -7,-0.2 -9,-0.0 -0.943 25.2-172.6 -98.4 108.8 13.4 -25.7 -0.4 45 50 A L E -E 36 0A 32 -9,-2.3 -9,-3.0 -2,-0.7 2,-0.2 -0.926 5.8-162.0-104.9 108.8 13.6 -22.6 -2.6 46 51 A P E +E 35 0A 60 0, 0.0 2,-0.3 0, 0.0 152,-0.3 -0.497 11.1 178.6 -83.9 158.2 16.4 -20.2 -1.4 47 52 A W E -E 34 0A 0 -13,-2.2 -13,-2.1 -2,-0.2 2,-0.4 -0.980 19.1-161.4-160.7 153.5 16.6 -16.5 -2.4 48 53 A Y E -E 33 0A 70 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.993 17.8-176.1-140.1 117.4 18.8 -13.5 -1.8 49 54 A H E -E 32 0A 4 -17,-2.7 -17,-2.8 -2,-0.4 2,-0.5 -0.988 26.1-132.6-126.9 131.9 17.5 -10.0 -2.5 50 55 A R E -E 31 0A 163 -2,-0.4 46,-1.7 -19,-0.2 2,-0.5 -0.738 30.3-166.9 -73.8 124.1 19.1 -6.6 -2.3 51 56 A V E -Eg 30 96A 1 -21,-4.1 -21,-2.3 -2,-0.5 2,-0.4 -0.943 3.1-167.3-111.7 130.1 16.6 -4.4 -0.4 52 57 A S E -Eg 29 97A 30 44,-3.0 46,-2.2 -2,-0.5 2,-0.4 -0.956 12.9-163.5-126.0 140.9 17.0 -0.7 -0.3 53 58 A I E -E 28 0A 7 -25,-2.4 -25,-3.8 -2,-0.4 2,-0.3 -0.978 19.2-154.3-111.3 130.5 15.4 2.1 1.8 54 59 A L E -E 27 0A 72 -2,-0.4 4,-0.4 44,-0.3 -27,-0.2 -0.696 44.6 -5.2-105.4 149.2 15.6 5.7 0.5 55 60 A G S > S- 0 0 23 -29,-2.4 4,-0.9 -2,-0.3 3,-0.1 -0.417 117.2 -13.3 84.6-142.9 15.6 9.1 2.2 56 61 A K H >> S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 3,-0.9 0.924 131.8 58.8 -74.7 -43.1 14.9 9.9 5.8 57 62 A P H 3> S+ 0 0 61 0, 0.0 4,-3.4 0, 0.0 -1,-0.2 0.873 98.4 63.7 -51.2 -33.1 13.6 6.4 6.6 58 63 A A H 3> S+ 0 0 0 -4,-0.4 4,-2.3 -32,-0.3 -2,-0.2 0.911 107.3 41.9 -51.7 -42.1 17.1 5.1 5.3 59 64 A E H < S+ 0 0 11 -4,-3.4 3,-1.8 -5,-0.2 4,-0.4 0.961 109.4 50.6 -65.1 -46.5 16.7 2.3 9.5 62 67 A A H >< S+ 0 0 28 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.857 101.1 63.9 -60.8 -34.6 20.5 2.7 10.0 63 68 A E H 3< S+ 0 0 133 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.775 91.1 66.7 -55.9 -27.1 19.9 4.1 13.5 64 69 A R T << S- 0 0 132 -3,-1.8 -1,-0.2 -4,-0.7 -2,-0.2 0.701 96.9-143.2 -73.5 -15.6 18.5 0.7 14.4 65 70 A N < - 0 0 110 -3,-1.6 2,-0.1 -4,-0.4 -3,-0.1 0.862 24.2-172.9 57.4 47.2 21.9 -0.9 14.0 66 71 A L - 0 0 7 -5,-0.4 2,-0.3 1,-0.0 -1,-0.2 -0.432 4.5-156.1 -71.4 144.9 20.9 -4.2 12.4 67 72 A K > - 0 0 94 -52,-0.2 3,-2.4 1,-0.1 -55,-0.3 -0.746 32.0 -70.1-120.6 161.8 23.6 -6.9 12.0 68 73 A G T 3 S+ 0 0 34 1,-0.3 -55,-0.2 -2,-0.3 -1,-0.1 -0.156 120.9 26.8 -43.6 133.5 24.2 -9.9 9.8 69 74 A G T 3 S+ 0 0 11 -57,-3.9 -1,-0.3 1,-0.3 2,-0.1 0.295 83.5 131.6 87.7 -17.5 21.9 -12.6 10.9 70 75 A D < - 0 0 46 -3,-2.4 -58,-2.5 -59,-0.1 2,-0.4 -0.487 54.6-130.6 -66.6 138.5 19.0 -10.4 12.2 71 76 A A E +B 11 0A 4 -60,-0.2 33,-3.0 35,-0.2 2,-0.3 -0.797 32.8 175.5 -94.3 141.8 15.7 -11.5 10.9 72 77 A V E -BH 10 103A 0 -62,-2.7 -62,-1.9 -2,-0.4 2,-0.4 -0.939 29.0-132.9-139.1 156.7 13.4 -8.9 9.5 73 78 A V E -BH 9 102A 49 29,-3.4 29,-2.8 -2,-0.3 2,-0.4 -0.951 26.2-164.8-109.2 140.1 10.1 -8.4 7.7 74 79 A V E -BH 8 101A 0 -66,-2.9 -66,-2.1 -2,-0.4 2,-0.4 -0.978 14.5-168.3-124.2 134.5 10.1 -6.2 4.8 75 80 A E E +BH 7 100A 69 25,-2.2 24,-2.4 -2,-0.4 25,-2.0 -0.991 38.8 127.2-117.8 131.6 7.1 -4.6 3.0 76 81 A G E -BH 6 98A 1 -70,-2.5 -70,-1.6 -2,-0.4 2,-0.3 -0.751 47.4-109.4-161.1-167.5 8.2 -3.2 -0.3 77 82 A T E - H 0 97A 18 20,-2.5 20,-2.3 -72,-0.2 2,-0.6 -0.915 36.0 -98.0-140.3 163.5 7.8 -2.9 -4.1 78 83 A L E - H 0 96A 0 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.805 37.4-158.3 -86.7 127.4 9.7 -4.0 -7.1 79 84 A E E - H 0 95A 26 16,-3.1 16,-2.8 -2,-0.6 2,-0.5 -0.906 1.6-155.5-110.7 116.3 11.8 -1.1 -8.5 80 85 A Y E - H 0 94A 40 -2,-0.6 2,-0.4 14,-0.3 14,-0.2 -0.823 14.9-172.4 -85.6 130.0 13.0 -1.3 -12.1 81 86 A R E - H 0 93A 136 12,-3.2 12,-2.1 -2,-0.5 2,-0.4 -0.986 11.0-169.8-128.7 132.4 16.2 0.7 -12.9 82 87 A Q E + H 0 92A 118 -2,-0.4 2,-0.3 10,-0.2 10,-0.3 -0.967 21.0 153.4-116.0 135.7 17.8 1.5 -16.3 83 88 A W E - H 0 91A 99 8,-2.9 8,-3.4 -2,-0.4 2,-0.5 -0.953 44.6-105.1-150.6 166.1 21.3 3.1 -16.5 84 89 A E E - H 0 90A 137 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.884 38.3-128.4 -96.3 127.3 24.4 3.4 -18.8 85 90 A A > - 0 0 6 4,-3.3 3,-2.0 -2,-0.5 4,-0.1 -0.434 18.5-118.5 -65.3 151.6 27.3 1.3 -17.6 86 91 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.850 118.8 57.7 -57.6 -30.1 30.7 3.1 -17.2 87 92 A E T 3 S- 0 0 133 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.399 126.8 -99.2 -78.9 4.6 32.0 0.7 -19.8 88 93 A G S < S+ 0 0 48 -3,-2.0 -1,-0.2 1,-0.2 -4,-0.0 0.161 77.5 82.4 89.6 145.9 29.3 1.9 -22.1 89 94 A G S S- 0 0 43 -4,-0.1 -4,-3.3 -3,-0.1 -1,-0.2 0.150 75.9 -72.7 100.4 143.4 25.9 0.3 -22.9 90 95 A K E - 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