==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-OCT-00 1G18 . COMPND 2 MOLECULE: RECA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.DATTA,M.M.PRABU,M.B.VAZE,N.GANESH,N.R.CHANDRA,K.MUNIYAPPA, . 310 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 11.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 31 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 0 0 1 1 0 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 0 3 0 1 0 0 1 1 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 . 1 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 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 Q 0 0 117 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.5 44.0 -31.0 -24.7 2 4 A T > + 0 0 116 3,-0.0 4,-0.6 4,-0.0 3,-0.5 0.778 360.0 34.0-124.1 -62.4 45.1 -28.9 -21.7 3 5 A P H >> S+ 0 0 99 0, 0.0 4,-1.1 0, 0.0 3,-0.9 0.872 104.5 65.6 -72.4 -41.3 47.5 -25.9 -21.8 4 6 A D H 3> S+ 0 0 112 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.700 97.3 62.8 -54.0 -18.7 46.6 -24.3 -25.3 5 7 A R H 3> S+ 0 0 50 -3,-0.5 4,-2.6 2,-0.2 -1,-0.3 0.931 99.6 50.0 -72.4 -44.4 43.3 -23.7 -23.6 6 8 A E H X>S+ 0 0 59 -4,-2.2 4,-2.9 2,-0.2 3,-0.6 0.967 110.9 53.7 -60.9 -62.4 37.4 -8.4 -24.0 17 19 A E H 3X5S+ 0 0 43 -4,-2.8 4,-1.6 1,-0.3 -1,-0.2 0.835 106.8 59.3 -43.4 -36.3 39.5 -6.1 -21.7 18 20 A K H 3<5S+ 0 0 168 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.954 116.7 27.3 -62.0 -50.5 40.2 -4.3 -25.0 19 21 A S H <<5S+ 0 0 85 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.658 132.0 32.7 -93.0 -14.9 36.6 -3.6 -25.9 20 22 A Y H <5S- 0 0 188 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.457 113.8 -95.5-119.6 -1.5 34.9 -3.4 -22.5 21 23 A G ><< - 0 0 31 -4,-1.6 3,-1.9 -5,-0.5 4,-0.3 -0.199 43.6 -62.5 108.9 161.8 37.7 -2.0 -20.3 22 24 A K T 3 S+ 0 0 147 1,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.843 129.3 43.2 -47.4 -45.6 40.5 -3.0 -17.9 23 25 A G T 3 S+ 0 0 10 211,-0.3 -1,-0.3 1,-0.2 3,-0.1 -0.007 76.4 110.3 -97.3 31.9 38.1 -4.6 -15.4 24 26 A S S < S+ 0 0 33 -3,-1.9 2,-0.4 1,-0.3 -1,-0.2 0.861 89.0 18.5 -73.3 -31.8 35.8 -6.4 -17.7 25 27 A V S S+ 0 0 56 -3,-0.5 2,-0.3 -4,-0.3 -1,-0.3 -0.991 74.7 166.4-140.9 131.0 37.0 -9.8 -16.6 26 28 A M - 0 0 61 -2,-0.4 2,-0.4 -3,-0.1 -3,-0.0 -0.913 33.4-130.3-142.6 165.5 38.9 -10.7 -13.5 27 29 A R > - 0 0 142 -2,-0.3 3,-1.3 1,-0.1 210,-0.2 -0.933 29.0-128.3-109.6 135.5 40.0 -13.6 -11.3 28 30 A L T 3 S+ 0 0 93 -2,-0.4 -1,-0.1 1,-0.3 212,-0.0 0.725 109.6 54.3 -59.5 -17.0 39.2 -13.1 -7.7 29 31 A G T 3 S+ 0 0 73 2,-0.0 -1,-0.3 0, 0.0 2,-0.0 0.656 76.3 121.2 -91.1 -18.3 42.9 -13.9 -7.0 30 32 A D < - 0 0 78 -3,-1.3 207,-0.5 1,-0.2 -4,-0.0 -0.239 44.5-165.2 -54.0 123.1 44.5 -11.3 -9.3 31 33 A E + 0 0 193 205,-0.1 -1,-0.2 -2,-0.0 -3,-0.0 0.531 45.1 151.9 -83.8 -6.3 46.8 -8.9 -7.4 32 34 A A + 0 0 41 2,-0.0 205,-0.1 204,-0.0 203,-0.0 0.483 31.8 9.0 -26.6 156.2 46.5 -6.8 -10.6 33 35 A R - 0 0 60 1,-0.1 202,-0.0 203,-0.1 0, 0.0 0.549 42.9-176.6 47.7 164.1 46.8 -3.0 -11.2 34 36 A Q - 0 0 90 18,-0.0 -1,-0.1 202,-0.0 4,-0.1 -0.197 11.9-164.1 169.8 92.6 47.9 -0.1 -8.9 35 37 A P - 0 0 60 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.054 30.9-120.8 -77.8-175.8 47.8 3.6 -10.0 36 38 A I S S+ 0 0 171 1,-0.1 2,-0.8 0, 0.0 0, 0.0 0.536 95.9 81.0 -97.9 -18.4 49.3 6.9 -8.7 37 39 A S + 0 0 40 20,-0.1 20,-0.7 2,-0.0 2,-0.3 -0.820 57.6 130.8 -96.9 106.2 45.8 8.3 -8.3 38 40 A V E -A 56 0A 36 -2,-0.8 15,-0.0 18,-0.2 0, 0.0 -0.869 44.1-146.4-160.7 122.8 44.1 7.2 -5.1 39 41 A I E -A 55 0A 3 16,-1.1 16,-2.8 -2,-0.3 43,-0.1 -0.775 29.9-129.1 -89.1 113.8 42.2 8.9 -2.3 40 42 A P - 0 0 53 0, 0.0 41,-0.2 0, 0.0 14,-0.2 -0.353 8.1-143.3 -60.7 152.5 42.8 7.1 0.9 41 43 A T - 0 0 2 2,-0.3 39,-0.1 12,-0.1 38,-0.1 0.680 41.3-104.7 -89.0 -27.2 39.7 6.3 2.8 42 44 A G S S+ 0 0 17 1,-0.1 2,-0.5 36,-0.1 215,-0.2 0.077 100.3 76.6 121.6 -24.0 41.0 6.8 6.3 43 45 A S > - 0 0 0 1,-0.1 4,-2.6 214,-0.1 -2,-0.3 -0.985 67.7-149.4-126.0 120.3 41.2 3.1 7.2 44 46 A I H > S+ 0 0 18 -2,-0.5 4,-2.8 210,-0.2 5,-0.2 0.836 98.8 60.2 -51.9 -33.2 44.0 1.0 5.8 45 47 A A H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.966 108.8 38.7 -62.0 -56.4 41.6 -1.9 5.9 46 48 A L H > S+ 0 0 1 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.858 113.0 61.9 -62.1 -35.4 39.1 -0.4 3.5 47 49 A D H >< S+ 0 0 10 -4,-2.6 6,-0.9 1,-0.2 3,-0.9 0.968 113.0 32.1 -54.4 -56.6 42.0 0.9 1.6 48 50 A V H >< S+ 0 0 44 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.698 110.8 65.8 -75.0 -20.5 43.4 -2.5 0.9 49 51 A A H 3< S+ 0 0 6 -4,-2.1 191,-0.3 1,-0.3 -1,-0.2 0.614 100.5 52.9 -73.3 -14.5 39.8 -4.0 0.7 50 52 A L T << S- 0 0 2 -3,-0.9 2,-2.3 -4,-0.8 -1,-0.3 0.567 102.1-147.1 -90.4 -13.2 39.6 -1.7 -2.3 51 53 A G S < S+ 0 0 34 -3,-0.6 -1,-0.1 -4,-0.2 -2,-0.1 -0.321 89.5 73.5 78.7 -55.0 42.7 -3.5 -3.5 52 54 A I S S- 0 0 17 -2,-2.3 -1,-0.2 2,-0.2 -4,-0.2 0.334 110.6-116.7 -72.0 5.6 43.8 -0.2 -5.2 53 55 A G S S+ 0 0 27 -6,-0.9 2,-0.3 -7,-0.1 -5,-0.2 0.646 83.4 5.9 67.9 18.7 44.6 1.2 -1.8 54 56 A G S S- 0 0 0 -7,-0.6 -2,-0.2 -8,-0.2 -1,-0.1 -0.957 107.4 -42.9 164.9-167.2 42.1 4.0 -1.8 55 57 A L E -A 39 0A 2 -16,-2.8 -16,-1.1 -2,-0.3 2,-0.4 -0.517 60.9-110.9 -84.7 155.7 39.2 5.2 -4.0 56 58 A P E > -A 38 0A 3 0, 0.0 3,-0.6 0, 0.0 -18,-0.2 -0.738 30.9-130.3 -88.3 134.3 39.7 5.2 -7.7 57 59 A R T 3 S+ 0 0 75 -20,-0.7 127,-0.2 -2,-0.4 128,-0.1 -0.280 85.3 29.4 -77.1 166.5 39.9 8.7 -9.4 58 60 A G T 3 S+ 0 0 8 80,-0.3 2,-0.3 1,-0.2 127,-0.2 0.751 105.6 100.2 56.2 26.2 37.9 9.7 -12.4 59 61 A R S < S- 0 0 104 -3,-0.6 127,-1.0 120,-0.1 2,-0.5 -0.932 73.1-116.8-139.4 159.9 35.1 7.3 -11.3 60 62 A V E -b 186 0B 1 -2,-0.3 144,-2.0 142,-0.3 145,-1.0 -0.869 28.1-165.6-101.2 124.9 31.8 7.4 -9.6 61 63 A I E -bc 187 205B 0 125,-3.7 127,-2.8 -2,-0.5 2,-0.4 -0.816 6.1-158.7-108.7 151.9 31.5 5.5 -6.3 62 64 A E E -bc 188 206B 0 143,-2.4 145,-3.6 -2,-0.3 2,-0.6 -0.997 3.8-170.3-129.6 121.6 28.3 4.6 -4.5 63 65 A I E -bc 189 207B 3 125,-2.4 127,-1.9 -2,-0.4 2,-0.4 -0.965 16.9-179.6-112.1 112.7 28.3 3.8 -0.8 64 66 A Y E +bc 190 208B 37 143,-3.1 145,-2.0 -2,-0.6 127,-0.2 -0.921 14.9 114.8-120.0 148.6 25.0 2.4 0.3 65 67 A G - 0 0 1 125,-1.0 145,-0.2 -2,-0.4 3,-0.1 -0.984 56.6 -50.3 179.0-177.0 23.6 1.2 3.6 66 68 A P - 0 0 63 0, 0.0 4,-0.3 0, 0.0 5,-0.2 -0.314 68.6 -82.8 -71.5 158.5 21.1 1.6 6.6 67 69 A E S S+ 0 0 158 1,-0.2 4,-0.0 124,-0.1 124,-0.0 -0.266 114.3 20.3 -57.0 154.3 20.6 4.9 8.4 68 70 A S S S+ 0 0 123 -3,-0.1 143,-0.2 1,-0.1 -1,-0.2 0.945 91.7 108.5 38.0 79.7 23.3 5.3 11.0 69 71 A S S S- 0 0 12 141,-0.1 141,-0.2 -3,-0.1 143,-0.1 0.524 88.3 -75.1-140.3 -47.9 26.1 3.0 9.8 70 72 A G S >> S+ 0 0 8 -4,-0.3 4,-1.9 139,-0.2 3,-1.0 0.015 86.3 112.2 171.0 -34.3 29.2 4.7 8.4 71 73 A K H 3> S+ 0 0 9 1,-0.3 4,-2.8 2,-0.2 3,-0.2 0.607 82.2 38.0 -24.6 -91.4 28.6 6.0 4.9 72 74 A T H 3> S+ 0 0 46 1,-0.3 4,-4.6 2,-0.3 5,-0.4 0.853 117.1 56.2 -37.5 -42.8 28.8 9.9 5.1 73 75 A T H <> S+ 0 0 15 -3,-1.0 4,-2.5 2,-0.2 -1,-0.3 0.980 108.7 44.5 -57.0 -57.2 31.6 9.4 7.6 74 76 A V H X S+ 0 0 3 -4,-1.9 4,-2.8 1,-0.2 -2,-0.3 0.920 117.0 49.4 -49.5 -45.8 33.5 7.3 5.0 75 77 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.3 -2,-0.2 0.936 109.8 46.7 -60.5 -55.7 32.5 10.0 2.5 76 78 A L H X S+ 0 0 3 -4,-4.6 4,-2.7 1,-0.2 -1,-0.3 0.785 111.8 54.9 -60.5 -25.4 33.6 13.0 4.6 77 79 A H H X S+ 0 0 17 -4,-2.5 4,-1.6 -5,-0.4 -2,-0.3 0.953 107.1 47.3 -72.2 -45.0 36.7 11.0 5.2 78 80 A A H X S+ 0 0 2 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.798 113.5 51.8 -63.7 -25.3 37.2 10.7 1.5 79 81 A V H < S+ 0 0 0 -4,-2.0 4,-0.3 -5,-0.2 -2,-0.2 0.926 106.6 51.7 -75.1 -43.6 36.5 14.4 1.4 80 82 A A H X S+ 0 0 11 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.714 113.5 44.0 -65.4 -25.6 39.1 15.2 4.1 81 83 A N H X S+ 0 0 52 -4,-1.6 4,-0.6 2,-0.2 6,-0.2 0.854 108.2 53.8 -86.1 -43.6 41.9 13.3 2.2 82 84 A A H < S+ 0 0 2 -4,-1.6 5,-0.5 -5,-0.2 -2,-0.2 0.527 115.2 48.7 -68.2 -2.5 41.2 14.6 -1.3 83 85 A Q H >4 S+ 0 0 22 -4,-0.3 3,-0.8 3,-0.1 -2,-0.2 0.823 96.6 63.8-101.3 -48.0 41.5 17.9 0.6 84 86 A A H 3< S+ 0 0 90 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.554 100.4 58.0 -56.2 -12.3 44.8 17.3 2.5 85 87 A A T 3< S- 0 0 77 -4,-0.6 -1,-0.3 2,-0.0 3,-0.1 -0.389 125.9 -98.0-114.5 46.5 46.5 17.1 -0.8 86 88 A G S < S+ 0 0 78 -3,-0.8 -2,-0.2 1,-0.1 -3,-0.1 0.513 82.2 132.3 53.7 9.5 45.4 20.6 -1.9 87 89 A G - 0 0 14 -5,-0.5 2,-0.3 -6,-0.2 -1,-0.1 -0.340 51.4-125.0 -80.2 173.8 42.5 19.4 -4.0 88 90 A V - 0 0 51 48,-0.5 50,-2.6 -3,-0.1 51,-1.1 -0.933 20.9-157.3-124.7 146.8 39.1 21.0 -3.7 89 91 A A E -d 139 0B 1 -2,-0.3 25,-2.4 48,-0.2 2,-0.4 -0.905 8.6-156.8-127.0 155.0 35.6 19.4 -2.9 90 92 A A E -de 140 114B 0 49,-1.3 51,-2.4 -2,-0.3 2,-0.6 -0.981 7.2-155.6-127.4 138.5 31.9 20.1 -3.3 91 93 A F E -de 141 115B 0 23,-4.1 25,-2.1 -2,-0.4 2,-1.3 -0.941 5.9-156.2-118.4 108.1 29.1 18.7 -1.2 92 94 A I E -de 142 116B 0 49,-3.2 51,-2.1 -2,-0.6 2,-0.4 -0.727 20.3-157.1 -87.9 96.2 25.7 18.5 -3.0 93 95 A D + 0 0 5 23,-2.6 51,-0.1 -2,-1.3 49,-0.1 -0.584 32.3 155.2 -82.5 127.8 23.3 18.5 -0.1 94 96 A A S S+ 0 0 24 49,-0.4 -1,-0.1 -2,-0.4 23,-0.1 0.338 75.8 45.6-130.4 3.1 19.8 17.2 -0.4 95 97 A E S S- 0 0 83 0, 0.0 -2,-0.1 0, 0.0 49,-0.1 0.532 93.4-133.0-118.5 -21.6 18.9 16.2 3.1 96 98 A H + 0 0 124 47,-0.1 21,-0.0 1,-0.0 -3,-0.0 0.992 69.7 113.0 63.0 63.9 20.1 19.2 4.9 97 99 A A + 0 0 82 2,-0.0 2,-0.3 0, 0.0 -1,-0.0 0.106 24.7 132.0-156.5 34.8 21.9 17.4 7.7 98 100 A L - 0 0 44 4,-0.0 -5,-0.0 1,-0.0 -26,-0.0 -0.694 43.0-148.1 -88.3 141.8 25.7 17.8 7.6 99 101 A D >> - 0 0 91 -2,-0.3 4,-1.8 1,-0.1 3,-0.7 -0.857 5.8-164.2-116.3 98.3 27.4 18.6 10.9 100 102 A P H 3> S+ 0 0 64 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.722 86.0 62.2 -47.3 -37.0 30.4 20.8 10.2 101 103 A D H 3> S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.977 108.6 41.9 -58.3 -51.0 31.8 20.3 13.7 102 104 A Y H <> S+ 0 0 54 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.857 114.5 51.3 -63.2 -40.7 32.1 16.6 13.0 103 105 A A H X>S+ 0 0 0 -4,-1.8 5,-2.3 2,-0.2 4,-2.0 0.967 110.1 49.3 -61.0 -50.2 33.4 17.2 9.5 104 106 A K H <5S+ 0 0 53 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.872 109.4 53.3 -55.8 -40.1 36.1 19.5 10.9 105 107 A K H <5S+ 0 0 59 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.846 108.5 48.6 -66.2 -34.5 37.0 16.9 13.5 106 108 A L H <5S- 0 0 20 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.2 0.819 130.5 -98.1 -73.7 -28.8 37.5 14.4 10.7 107 109 A G T <5 + 0 0 42 -4,-2.0 2,-0.3 1,-0.3 -3,-0.3 0.482 69.2 149.2 126.0 6.8 39.6 16.9 8.9 108 110 A V < - 0 0 5 -5,-2.3 2,-2.9 -6,-0.1 -1,-0.3 -0.569 50.1-134.2 -73.2 128.2 37.4 18.6 6.3 109 111 A D >> - 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