==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-DEC-03 1RNJ . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR O.BARABAS,V.PONGRACZ,J.KOVARI,M.WILMANNS,B.G.VERTESSY . 140 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 57.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 27.1 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 . 1 0.7 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 . 20 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 3 2 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 1 A M 0 0 227 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.7 34.1 12.8 23.4 2 2 A M + 0 0 189 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.811 360.0 175.4-121.1 147.2 30.5 11.7 23.0 3 3 A K - 0 0 98 -2,-0.3 2,-0.4 2,-0.0 0, 0.0 -0.960 27.7-130.1-148.9 134.1 27.2 13.5 22.4 4 4 A K - 0 0 201 -2,-0.3 2,-0.4 55,-0.0 -2,-0.0 -0.695 28.6-165.9 -77.8 131.6 23.7 12.3 21.8 5 5 A I - 0 0 43 -2,-0.4 54,-0.1 55,-0.0 2,-0.1 -0.990 20.3-120.0-125.7 126.3 22.2 14.2 18.8 6 6 A D E -A 58 0A 119 52,-0.8 52,-2.2 -2,-0.4 2,-0.4 -0.402 32.7-173.6 -63.4 134.4 18.5 14.2 17.9 7 7 A V E -A 57 0A 74 50,-0.2 2,-0.5 -2,-0.1 50,-0.2 -0.989 13.5-157.6-132.8 139.0 17.7 12.7 14.5 8 8 A K E -A 56 0A 130 48,-2.6 48,-2.2 -2,-0.4 2,-0.6 -0.984 17.8-135.8-113.9 125.9 14.4 12.6 12.6 9 9 A I E +A 55 0A 69 -2,-0.5 46,-0.2 46,-0.2 45,-0.1 -0.724 23.3 178.1 -82.4 121.1 13.9 10.0 9.9 10 10 A L S S+ 0 0 80 44,-2.6 45,-0.2 -2,-0.6 -1,-0.2 0.675 70.5 43.4 -97.4 -23.7 12.3 11.7 6.9 11 11 A D S > S- 0 0 32 43,-1.4 3,-2.1 42,-0.1 -1,-0.2 -0.993 78.6-136.9-127.7 126.7 12.2 8.7 4.5 12 12 A P T 3 S+ 0 0 111 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.608 99.6 68.7 -67.1 -8.1 11.2 5.3 6.0 13 13 A R T > >S+ 0 0 65 3,-0.1 5,-2.7 4,-0.1 3,-2.1 0.723 77.1 97.7 -75.8 -21.4 14.0 3.5 4.1 14 14 A V B < 5S+d 18 0B 10 -3,-2.1 3,-0.1 1,-0.3 6,-0.1 -0.554 92.3 20.0 -75.6 126.7 16.5 5.2 6.4 15 15 A G T 3 5S+ 0 0 37 3,-2.7 -1,-0.3 -2,-0.4 -2,-0.1 0.359 133.5 47.0 89.1 0.8 17.4 2.8 9.2 16 16 A K T < 5S+ 0 0 162 -3,-2.1 -1,-0.2 2,-0.5 -3,-0.1 0.248 127.5 4.3-128.8-101.3 16.1 -0.1 7.0 17 17 A E T 5S+ 0 0 140 1,-0.2 -3,-0.2 -5,-0.2 -4,-0.1 0.791 139.1 43.8 -59.7 -34.9 17.1 -0.4 3.3 18 18 A F B S- 0 0 87 1,-0.0 3,-1.3 0, 0.0 -1,-0.0 -0.829 80.4-105.5-127.9 167.8 35.5 1.8 14.8 26 26 A S T 3 S+ 0 0 143 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.705 123.1 48.5 -60.1 -20.6 35.8 3.3 18.3 27 27 A G T 3 S+ 0 0 64 -4,-0.0 -1,-0.2 2,-0.0 2,-0.2 0.304 79.5 120.8-108.2 6.5 38.4 5.6 16.7 28 28 A S < - 0 0 38 -3,-1.3 -5,-0.0 1,-0.1 3,-0.0 -0.537 43.9-162.9 -71.6 136.8 36.6 6.8 13.6 29 29 A A + 0 0 78 -2,-0.2 93,-0.5 92,-0.0 2,-0.3 0.742 68.8 49.5 -86.7 -30.8 36.2 10.6 13.3 30 30 A G - 0 0 9 91,-0.1 2,-0.4 -8,-0.0 -6,-0.4 -0.793 66.0-139.4-119.3 154.2 33.5 10.6 10.7 31 31 A L E -E 120 0C 23 89,-2.5 89,-2.1 -2,-0.3 2,-0.3 -0.938 29.3-124.0-103.9 134.3 30.1 9.0 9.9 32 32 A D E -E 119 0C 33 -10,-0.9 2,-0.4 -2,-0.4 -10,-0.3 -0.636 21.2-144.9 -81.3 132.9 29.4 7.9 6.3 33 33 A L E -E 118 0C 1 85,-2.3 84,-2.1 -2,-0.3 85,-1.1 -0.800 11.9-143.0 -96.6 137.9 26.3 9.4 4.8 34 34 A R E -E 116 0C 65 -2,-0.4 2,-0.4 82,-0.2 82,-0.2 -0.785 19.0-109.2-107.7 146.7 24.2 7.3 2.3 35 35 A A - 0 0 0 80,-2.0 79,-3.0 -2,-0.3 2,-1.1 -0.555 22.3-153.6 -72.4 121.6 22.4 8.4 -0.8 36 36 A C + 0 0 8 16,-2.9 2,-0.3 -2,-0.4 18,-0.2 -0.803 41.4 143.7-100.6 91.5 18.6 8.3 -0.3 37 37 A L - 0 0 23 -2,-1.1 3,-0.1 14,-0.1 14,-0.0 -0.933 54.0-143.2-132.6 148.0 17.5 7.8 -3.9 38 38 A N S S+ 0 0 120 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.770 90.7 3.6 -77.8 -30.6 14.8 5.8 -5.6 39 39 A D S S- 0 0 124 72,-0.1 -1,-0.2 73,-0.0 72,-0.0 -0.964 95.4 -74.8-149.4 158.9 17.0 4.9 -8.5 40 40 A A - 0 0 46 -2,-0.3 2,-0.5 -3,-0.1 72,-0.2 -0.196 39.2-143.5 -55.8 148.2 20.7 5.5 -9.5 41 41 A V E -H 111 0D 39 70,-2.3 70,-3.1 -4,-0.0 2,-0.6 -0.979 7.0-143.3-116.1 122.0 21.8 8.9 -10.7 42 42 A E E -H 110 0D 106 -2,-0.5 2,-0.7 68,-0.2 68,-0.2 -0.770 15.5-160.6 -85.6 119.9 24.3 9.1 -13.5 43 43 A L E -H 109 0D 5 66,-3.4 66,-1.7 -2,-0.6 3,-0.1 -0.880 7.2-149.5-109.5 108.6 26.6 12.0 -12.8 44 44 A A > - 0 0 37 -2,-0.7 3,-2.2 64,-0.2 59,-0.3 -0.295 38.9 -73.0 -72.3 158.8 28.5 13.2 -15.9 45 45 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.2 0, 0.0 59,-0.2 -0.257 120.0 11.0 -52.7 130.0 32.0 14.8 -15.7 46 46 A G T 3 S+ 0 0 45 57,-2.3 2,-0.1 59,-0.3 58,-0.1 0.240 102.0 123.2 86.3 -12.1 31.8 18.3 -14.3 47 47 A D < - 0 0 90 -3,-2.2 56,-2.6 55,-0.1 2,-0.3 -0.431 47.3-149.1 -89.7 162.8 28.2 18.0 -13.2 48 48 A T E - B 0 102A 80 54,-0.2 2,-0.3 -2,-0.1 54,-0.2 -0.955 12.1-176.5-127.2 140.4 26.6 18.5 -9.8 49 49 A T E - B 0 101A 36 52,-2.3 52,-2.8 -2,-0.3 2,-0.6 -0.989 26.4-124.1-136.9 145.9 23.5 16.8 -8.3 50 50 A L E - B 0 100A 108 -2,-0.3 50,-0.2 50,-0.2 -2,-0.0 -0.819 27.4-163.4 -94.3 117.2 21.7 17.3 -5.0 51 51 A V E - B 0 99A 0 48,-3.4 48,-2.7 -2,-0.6 2,-0.1 -0.890 9.0-141.3-105.8 121.2 21.5 14.0 -3.1 52 52 A P E - B 0 98A 35 0, 0.0 -16,-2.9 0, 0.0 46,-0.2 -0.475 7.0-160.2 -71.4 150.7 19.0 13.6 -0.2 53 53 A T E - 0 0 5 44,-1.3 -19,-0.2 2,-0.3 -42,-0.1 0.562 32.6-128.2 -98.6 -17.6 19.9 11.7 3.0 54 54 A G E S+ 0 0 0 43,-0.3 -44,-2.6 1,-0.2 -43,-1.4 0.660 76.3 87.0 76.1 14.4 16.4 11.1 4.2 55 55 A L E -A 9 0A 7 42,-0.4 42,-2.8 -46,-0.2 2,-0.4 -0.984 56.9-155.1-146.1 157.6 17.2 12.5 7.5 56 56 A A E -AB 8 96A 4 -48,-2.2 -48,-2.6 -2,-0.3 2,-0.3 -0.974 12.5-161.9-125.5 142.4 17.4 15.6 9.6 57 57 A I E -A 7 0A 15 38,-0.5 2,-0.4 -2,-0.4 -50,-0.2 -0.859 9.7-154.8-116.4 160.4 19.6 16.2 12.7 58 58 A H E +A 6 0A 56 -52,-2.2 -52,-0.8 -2,-0.3 36,-0.1 -0.831 10.5 179.9-134.6 95.9 19.3 18.9 15.3 59 59 A I + 0 0 4 34,-0.4 2,-1.7 31,-0.4 33,-0.2 0.898 14.9 178.7 -63.5 -41.5 22.7 19.5 16.9 60 60 A A + 0 0 56 31,-2.8 -1,-0.2 30,-0.2 31,-0.1 -0.152 44.7 99.2 74.4 -36.0 21.1 22.1 19.2 61 61 A D > - 0 0 52 -2,-1.7 3,-1.9 1,-0.1 -1,-0.1 -0.716 64.6-150.4 -85.9 117.8 24.2 23.0 21.2 62 62 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 0.555 92.7 69.0 -68.8 -5.5 25.8 26.2 19.7 63 63 A S T 3 S+ 0 0 77 61,-0.1 62,-1.8 63,-0.1 2,-0.3 0.338 98.6 61.1 -85.6 2.3 29.2 25.0 20.8 64 64 A L E < +F 124 0C 24 -3,-1.9 2,-0.3 60,-0.3 27,-0.3 -0.965 54.8 168.7-132.5 147.1 29.1 22.2 18.1 65 65 A A E -F 123 0C 5 58,-2.2 58,-2.2 -2,-0.3 2,-0.3 -0.920 24.9-127.9-139.5 169.7 28.8 22.1 14.4 66 66 A A E -FG 122 89C 0 23,-1.9 23,-2.8 -2,-0.3 2,-0.4 -0.928 11.8-154.5-117.2 153.9 29.2 19.4 11.8 67 67 A M E -FG 121 88C 59 54,-2.5 54,-2.4 -2,-0.3 2,-0.4 -0.993 7.5-148.1-124.2 129.1 31.3 19.4 8.6 68 68 A M E +FG 120 87C 4 19,-2.4 19,-2.1 -2,-0.4 52,-0.2 -0.852 25.5 174.6 -94.0 133.8 30.5 17.3 5.5 69 69 A L E -F 119 0C 50 50,-2.8 50,-2.4 -2,-0.4 17,-0.1 -0.941 33.6 -99.4-132.7 155.3 33.6 16.1 3.6 70 70 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 48,-0.2 -0.288 41.4-109.2 -59.9 157.5 34.3 13.9 0.6 71 71 A R > - 0 0 70 46,-0.5 4,-2.3 9,-0.3 5,-0.2 -0.714 28.1-125.6 -83.5 143.3 35.4 10.3 1.3 72 72 A S H > S+ 0 0 104 -2,-0.3 4,-2.9 2,-0.2 5,-0.3 0.888 104.4 48.9 -65.7 -38.0 39.1 10.0 0.3 73 73 A G H >>S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 5,-0.7 0.950 113.6 45.5 -63.4 -54.8 38.7 7.0 -2.1 74 74 A L H >5S+ 0 0 15 3,-0.2 6,-2.4 1,-0.2 4,-1.2 0.895 117.8 44.9 -54.3 -43.4 35.8 8.5 -4.0 75 75 A G H X5S+ 0 0 8 -4,-2.3 4,-0.9 4,-0.3 -2,-0.2 0.961 120.6 36.3 -69.2 -51.3 37.6 11.9 -4.2 76 76 A H H <5S+ 0 0 149 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.934 129.3 30.0 -66.9 -49.7 41.0 10.6 -5.2 77 77 A K H <5S+ 0 0 155 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.826 135.6 21.6 -82.9 -39.3 40.1 7.7 -7.4 78 78 A H H < -C 101 0A 0 3,-0.3 3,-1.3 19,-0.3 19,-0.3 -0.858 24.7-141.4-105.7 138.2 31.2 18.0 -2.9 83 83 A G T 3 S+ 0 0 31 17,-1.9 18,-0.1 -2,-0.4 -1,-0.1 0.775 111.0 41.9 -66.0 -29.9 30.0 20.9 -5.0 84 84 A N T 3 S- 0 0 89 16,-0.4 2,-2.2 1,-0.1 -1,-0.3 0.284 106.6-136.4 -94.2 6.7 30.3 23.2 -2.0 85 85 A L S < S+ 0 0 109 -3,-1.3 2,-0.4 15,-0.2 -3,-0.3 -0.399 81.9 19.9 74.2 -63.3 33.6 21.5 -1.2 86 86 A V S S- 0 0 68 -2,-2.2 2,-0.4 -17,-0.1 -17,-0.2 -0.994 79.0-142.8-135.0 133.9 33.0 21.2 2.6 87 87 A G E -G 68 0C 3 -19,-2.1 -19,-2.4 -2,-0.4 2,-0.5 -0.763 7.1-153.7 -99.2 140.2 29.5 21.5 4.0 88 88 A L E -G 67 0C 108 -2,-0.4 2,-0.6 -21,-0.2 -21,-0.2 -0.981 3.9-160.6-116.1 125.1 28.9 23.3 7.3 89 89 A I E -G 66 0C 17 -23,-2.8 -23,-1.9 -2,-0.5 2,-0.1 -0.936 15.4-142.1-107.0 115.2 25.8 22.2 9.4 90 90 A N > - 0 0 88 -2,-0.6 3,-1.7 -25,-0.2 -31,-0.4 -0.428 19.0-117.4 -77.7 152.4 24.7 24.8 12.0 91 91 A S T 3 S+ 0 0 20 1,-0.3 -31,-2.8 -27,-0.3 -1,-0.1 0.748 113.5 47.6 -60.3 -28.3 23.5 23.8 15.4 92 92 A D T 3 S+ 0 0 122 -33,-0.2 2,-0.4 -34,-0.1 -1,-0.3 0.338 82.3 115.7 -98.6 6.8 20.1 25.3 14.8 93 93 A Y < + 0 0 96 -3,-1.7 -34,-0.4 1,-0.1 -33,-0.1 -0.637 30.6 168.3 -77.7 131.5 19.5 23.7 11.4 94 94 A Q + 0 0 118 -2,-0.4 -1,-0.1 -36,-0.1 3,-0.1 0.220 40.4 105.1-127.1 8.9 16.6 21.3 11.4 95 95 A G S S- 0 0 30 1,-0.2 -38,-0.5 -39,-0.1 2,-0.1 -0.241 84.4 -67.1 -81.0 177.3 16.1 20.6 7.7 96 96 A Q E -B 56 0A 58 -40,-0.2 2,-0.5 1,-0.1 -40,-0.3 -0.406 51.6-115.4 -62.0 138.1 17.0 17.6 5.7 97 97 A L E - 0 0 0 -42,-2.8 -44,-1.3 -2,-0.1 -42,-0.4 -0.673 39.2-165.7 -74.6 122.9 20.8 17.0 5.4 98 98 A M E -B 52 0A 62 -2,-0.5 2,-0.5 -46,-0.2 -48,-0.0 -0.871 12.6-146.3-115.1 148.1 21.6 17.4 1.7 99 99 A I E -B 51 0A 0 -48,-2.7 -48,-3.4 -2,-0.3 2,-1.0 -0.963 3.9-152.3-117.9 117.8 24.7 16.4 -0.2 100 100 A S E -B 50 0A 26 -2,-0.5 -17,-1.9 -50,-0.2 2,-0.5 -0.806 21.1-162.8 -86.0 103.6 25.9 18.4 -3.2 101 101 A V E -BC 49 82A 1 -52,-2.8 -52,-2.3 -2,-1.0 2,-0.4 -0.822 8.1-173.6 -98.5 124.9 27.8 15.8 -5.2 102 102 A W E -BC 48 81A 78 -21,-2.4 -21,-2.7 -2,-0.5 2,-1.0 -0.971 21.5-145.2-123.0 128.3 30.2 17.1 -7.8 103 103 A N E + C 0 80A 0 -56,-2.6 -57,-2.3 -2,-0.4 -23,-0.2 -0.825 23.2 172.6 -89.3 99.2 32.1 15.1 -10.4 104 104 A R + 0 0 110 -25,-2.6 -25,-0.1 -2,-1.0 -1,-0.1 0.393 54.7 75.5 -87.6 -0.8 35.4 16.9 -10.6 105 105 A G S S- 0 0 11 -26,-0.5 -59,-0.3 -27,-0.3 -26,-0.1 -0.135 88.9-105.3-101.6-161.9 36.9 14.3 -12.8 106 106 A Q S S+ 0 0 158 -61,-0.1 2,-0.4 -2,-0.1 -27,-0.1 0.404 88.2 81.6-110.6 -1.9 36.8 13.1 -16.4 107 107 A D S S- 0 0 126 -29,-0.2 -2,-0.2 -63,-0.1 -64,-0.0 -0.909 78.8-117.0-115.0 133.3 34.7 9.9 -16.0 108 108 A S - 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