==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-FEB-10 3LOJ . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR I.LEVELES,V.HARMAT,I.PECSI,A.LOPATA,B.G.VERTESSY,J.TOTH . 160 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 52.5 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 . 39 24.4 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 . 0 0.0 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 . 19 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 0 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 . 0 0 2 3 0 2 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 . 1 0 2 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 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 -7 A G 0 0 132 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.2 -10.4 34.4 24.3 2 -6 A L - 0 0 162 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.678 360.0-134.1 -80.0 126.8 -13.2 33.9 26.9 3 -5 A V 0 0 73 -2,-0.5 4,-0.1 1,-0.1 -1,-0.0 -0.751 360.0 360.0 -73.4 112.6 -15.6 31.1 26.1 4 -4 A P 0 0 106 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.271 360.0 360.0 -66.6 360.0 -18.9 32.7 26.7 5 ! 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 6 -1 A S > 0 0 88 0, 0.0 3,-1.4 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 22.0 -20.3 28.4 24.0 7 0 A H T 3 + 0 0 162 -3,-0.4 -4,-0.0 1,-0.3 0, 0.0 0.905 360.0 40.2 -59.3 -41.2 -18.8 26.3 26.8 8 1 A M T 3 S+ 0 0 103 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.068 85.4 127.5-100.0 25.0 -19.5 23.0 25.1 9 2 A S < - 0 0 82 -3,-1.4 2,-0.3 1,-0.1 -6,-0.0 -0.519 59.7-109.8 -82.8 147.5 -18.7 24.1 21.5 10 3 A T - 0 0 81 -2,-0.2 2,-0.5 1,-0.0 -1,-0.1 -0.562 13.5-134.8-106.7 149.6 -16.3 21.8 19.7 11 4 A T - 0 0 124 -2,-0.3 2,-0.6 49,-0.0 -1,-0.0 -0.728 15.1-163.5 -94.0 120.4 -12.7 22.2 18.6 12 5 A L - 0 0 51 -2,-0.5 2,-0.2 48,-0.1 48,-0.1 -0.933 13.7-142.1-111.2 108.2 -11.8 21.0 15.1 13 6 A A E -A 59 0A 61 -2,-0.6 46,-2.1 46,-0.6 2,-0.4 -0.551 26.6-174.7 -64.6 135.2 -8.1 20.5 14.5 14 7 A I E -A 58 0A 61 -2,-0.2 2,-0.5 44,-0.2 44,-0.2 -0.998 19.8-157.8-138.9 137.8 -7.2 21.7 11.0 15 8 A V E -A 57 0A 86 42,-2.7 42,-2.2 -2,-0.4 2,-1.4 -0.962 16.4-142.5-111.8 123.1 -4.1 21.6 8.9 16 9 A R E -A 56 0A 100 -2,-0.5 40,-0.2 40,-0.2 39,-0.1 -0.773 19.6-179.4 -86.2 91.6 -3.9 24.1 6.1 17 10 A L S S+ 0 0 85 -2,-1.4 39,-0.2 38,-1.0 -1,-0.2 0.813 85.8 43.4 -59.0 -32.3 -2.1 21.9 3.6 18 11 A D S > S- 0 0 38 37,-2.1 3,-1.6 -3,-0.2 -1,-0.3 -0.909 75.1-173.0-114.2 94.3 -2.3 25.0 1.4 19 12 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.603 75.1 75.2 -61.5 -13.5 -1.3 27.9 3.7 20 13 A G T 3 S+ 0 0 59 2,-0.1 35,-0.0 19,-0.0 -3,-0.0 0.545 83.6 77.5 -75.1 -13.0 -2.2 30.4 1.0 21 14 A L S < S- 0 0 7 -3,-1.6 18,-0.0 34,-0.1 -3,-0.0 -0.781 89.1-107.9-100.1 148.0 -5.8 30.0 1.6 22 15 A P - 0 0 63 0, 0.0 15,-0.2 0, 0.0 -1,-0.1 -0.277 43.2 -94.3 -63.3 155.5 -7.8 31.6 4.5 23 16 A L - 0 0 83 1,-0.1 12,-0.1 -4,-0.1 33,-0.0 -0.514 54.1 -94.4 -62.7 140.2 -9.0 29.3 7.2 24 17 A P - 0 0 22 0, 0.0 2,-0.3 0, 0.0 12,-0.1 -0.266 55.2-177.5 -54.5 143.1 -12.5 28.2 6.5 25 18 A S - 0 0 60 10,-0.5 10,-2.7 -3,-0.1 2,-0.4 -0.959 31.6-102.5-144.1 158.2 -15.0 30.5 8.2 26 19 A R - 0 0 150 -2,-0.3 8,-0.2 8,-0.3 3,-0.1 -0.651 24.5-141.6 -77.7 132.4 -18.7 31.0 8.8 27 20 A A S S+ 0 0 57 6,-0.4 2,-0.3 -2,-0.4 -1,-0.1 0.902 84.5 9.0 -62.4 -39.5 -20.2 33.8 6.6 28 21 A H S > S- 0 0 138 -3,-0.0 3,-2.3 0, 0.0 -1,-0.2 -0.976 95.4 -83.9-139.2 150.6 -22.4 34.9 9.5 29 22 A D T 3 S+ 0 0 169 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.246 117.0 23.6 -49.0 134.6 -22.8 34.1 13.2 30 23 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 2,-0.0 -3,-0.0 0.297 85.2 146.9 92.5 -18.5 -24.9 31.0 13.6 31 24 A D < - 0 0 64 -3,-2.3 -1,-0.3 1,-0.1 -5,-0.1 -0.262 50.5-133.3 -62.2 144.6 -24.2 29.7 10.1 32 25 A A S S+ 0 0 76 -3,-0.1 91,-0.5 90,-0.1 2,-0.3 0.770 77.4 33.0 -72.9 -28.2 -24.1 26.0 10.1 33 26 A G - 0 0 2 89,-0.1 -6,-0.4 -8,-0.1 2,-0.4 -0.853 68.0-124.9-130.3 164.3 -20.9 25.6 8.1 34 27 A V E -D 121 0B 20 87,-2.2 87,-3.0 -2,-0.3 2,-0.4 -0.850 40.8-113.0-103.4 141.7 -17.5 27.0 7.3 35 28 A D E -D 120 0B 8 -10,-2.7 -10,-0.5 -2,-0.4 2,-0.3 -0.594 24.9-142.9 -82.3 136.2 -16.9 27.7 3.7 36 29 A L E -D 119 0B 1 83,-2.4 82,-1.9 -2,-0.4 83,-1.0 -0.743 13.6-139.6 -94.8 138.8 -14.2 25.6 2.0 37 30 A Y E -D 117 0B 25 17,-0.4 2,-0.5 -2,-0.3 80,-0.2 -0.627 14.5-117.4 -90.8 153.6 -11.9 27.1 -0.5 38 31 A S - 0 0 0 78,-2.5 77,-3.2 75,-0.3 16,-0.2 -0.801 14.8-159.3 -81.9 130.9 -10.7 25.7 -3.7 39 32 A A S S+ 0 0 16 14,-3.1 2,-0.3 -2,-0.5 75,-0.2 0.506 72.0 44.2 -82.6 -3.3 -7.0 25.3 -3.8 40 33 A E S S- 0 0 68 13,-0.5 2,-0.5 73,-0.2 76,-0.2 -0.937 82.0-106.3-145.5 164.4 -7.0 25.2 -7.5 41 34 A D + 0 0 112 -2,-0.3 2,-0.4 72,-0.2 72,-0.2 -0.741 43.7 172.7 -86.9 129.2 -8.3 26.6 -10.7 42 35 A V E -G 112 0C 22 70,-2.3 70,-3.5 -2,-0.5 2,-0.5 -0.995 21.1-161.0-141.9 132.2 -10.8 24.4 -12.4 43 36 A E E -G 111 0C 129 -2,-0.4 2,-0.6 68,-0.2 68,-0.2 -0.980 10.2-164.8-117.2 127.9 -13.1 24.7 -15.4 44 37 A L E -G 110 0C 4 66,-2.9 66,-2.6 -2,-0.5 3,-0.1 -0.939 7.4-151.0-112.8 112.4 -16.0 22.4 -15.7 45 38 A A > - 0 0 40 -2,-0.6 3,-2.4 64,-0.2 58,-0.4 -0.284 52.9 -63.2 -64.1 160.0 -17.8 22.1 -19.0 46 39 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.2 0, 0.0 58,-0.2 -0.209 125.8 8.9 -48.2 128.4 -21.5 21.2 -18.7 47 40 A G T 3 S+ 0 0 47 56,-2.6 2,-0.2 58,-0.4 57,-0.1 0.316 100.3 123.6 83.5 -6.9 -21.9 17.8 -17.2 48 41 A R < - 0 0 159 -3,-2.4 55,-2.5 55,-0.1 2,-0.3 -0.517 42.6-158.5 -88.9 155.5 -18.3 17.4 -16.1 49 42 A R E - B 0 102A 176 53,-0.2 2,-0.3 -2,-0.2 53,-0.2 -0.862 6.2-169.9-128.2 159.8 -17.0 16.8 -12.7 50 43 A A E - B 0 101A 29 51,-2.4 51,-1.1 -2,-0.3 2,-0.8 -0.980 26.1-127.5-149.2 149.6 -13.8 17.3 -10.9 51 44 A L E - B 0 100A 108 -2,-0.3 2,-0.4 49,-0.2 49,-0.2 -0.925 38.4-161.9-102.3 102.0 -12.3 16.3 -7.6 52 45 A V E - B 0 99A 1 47,-3.3 47,-2.7 -2,-0.8 2,-0.2 -0.746 13.1-130.2-100.1 130.3 -11.1 19.5 -6.2 53 46 A R E - B 0 98A 75 -2,-0.4 -14,-3.1 45,-0.2 -13,-0.5 -0.540 11.9-165.6 -74.8 139.6 -8.6 20.0 -3.4 54 47 A T E - 0 0 1 43,-1.7 -17,-0.4 2,-0.3 -1,-0.1 0.473 35.0-123.4 -99.2 -8.9 -9.6 22.3 -0.6 55 48 A G E S+ 0 0 0 42,-0.2 -37,-2.1 1,-0.2 -38,-1.0 0.621 76.5 98.2 75.6 11.7 -6.2 22.7 0.9 56 49 A V E -A 16 0A 5 41,-0.4 41,-3.1 -40,-0.2 2,-0.4 -0.969 48.3-168.3-135.3 150.7 -7.3 21.6 4.3 57 50 A A E -AB 15 96A 8 -42,-2.2 -42,-2.7 -2,-0.4 2,-0.3 -0.973 18.0-171.8-125.5 144.1 -7.3 18.5 6.4 58 51 A V E -A 14 0A 4 37,-0.5 2,-0.5 -2,-0.4 -44,-0.2 -0.889 25.9-133.8-131.7 162.9 -9.4 18.2 9.5 59 52 A A E -A 13 0A 25 -46,-2.1 -46,-0.6 -2,-0.3 32,-0.1 -0.803 23.4-158.4-116.6 89.4 -9.8 15.9 12.4 60 53 A V - 0 0 2 -2,-0.5 4,-0.1 30,-0.4 3,-0.1 -0.434 32.2-104.8 -62.2 129.0 -13.5 15.4 12.9 61 54 A P > - 0 0 35 0, 0.0 3,-1.9 0, 0.0 30,-0.1 -0.245 36.4 -95.8 -59.2 146.9 -14.0 14.2 16.5 62 55 A F T 3 S+ 0 0 182 1,-0.3 3,-0.1 29,-0.1 28,-0.0 -0.370 117.4 34.4 -57.1 133.9 -14.9 10.6 17.1 63 56 A G T 3 S+ 0 0 25 1,-0.4 63,-2.6 -3,-0.1 -1,-0.3 0.404 111.6 82.7 92.7 5.6 -18.7 10.4 17.4 64 57 A M E < -E 125 0B 31 -3,-1.9 27,-0.5 61,-0.3 -1,-0.4 -0.748 62.0-147.4-130.1 172.8 -19.1 13.2 14.8 65 58 A V E -EF 124 90B 16 59,-2.4 59,-2.4 -2,-0.2 2,-0.4 -0.978 12.3-135.3-141.9 144.0 -19.1 13.6 11.0 66 59 A G E -EF 123 89B 0 23,-2.7 23,-3.4 -2,-0.3 2,-0.4 -0.849 23.1-158.3 -98.0 139.7 -18.0 16.3 8.7 67 60 A L E -EF 122 88B 20 55,-2.8 55,-2.8 -2,-0.4 2,-0.7 -0.990 7.8-151.4-128.1 123.6 -20.5 17.1 6.0 68 61 A V E -EF 121 87B 3 19,-2.2 19,-2.5 -2,-0.4 53,-0.2 -0.879 23.3-179.9 -99.0 113.9 -19.6 18.8 2.7 69 62 A H E -E 120 0B 52 51,-3.0 51,-2.4 -2,-0.7 2,-0.1 -0.882 27.4-113.2-114.7 147.6 -22.5 20.7 1.4 70 63 A P - 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