==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JUL-12 4GCY . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.TOTH,B.G.VERTESSY,I.LEVELES,A.BENDES . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 51.5 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 . 36 22.1 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 . 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 . 18 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.7 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 3 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 -8 A S 0 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.5 38.6 7.7 -22.6 2 -7 A G + 0 0 75 2,-0.1 2,-0.5 0, 0.0 0, 0.0 0.644 360.0 90.7 -60.1 -21.9 35.3 8.2 -24.6 3 -6 A L S S- 0 0 148 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.696 77.0-136.7 -79.0 122.7 36.2 5.5 -27.2 4 -5 A V - 0 0 77 -2,-0.5 5,-0.1 5,-0.0 -2,-0.1 -0.723 25.7-127.1 -75.8 119.2 35.0 2.1 -26.2 5 -4 A P > - 0 0 78 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.347 21.1-110.8 -65.6 152.2 37.9 -0.3 -27.0 6 -3 A R G > S+ 0 0 81 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.874 119.9 54.6 -51.8 -44.4 37.0 -3.3 -29.2 7 -2 A G G 3 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.482 112.6 44.4 -67.5 -4.5 37.5 -5.7 -26.3 8 -1 A S G X S+ 0 0 50 -3,-2.3 3,-2.2 1,-0.1 -1,-0.2 0.275 78.6 109.9-116.9 4.0 34.9 -3.6 -24.2 9 0 A H T < S+ 0 0 138 -3,-1.3 -2,-0.1 -4,-0.4 -3,-0.1 0.858 84.7 41.6 -46.5 -43.7 32.4 -3.2 -27.1 10 1 A M T 3 S+ 0 0 97 -4,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.223 82.5 132.2 -96.8 14.3 29.9 -5.5 -25.3 11 2 A S < - 0 0 80 -3,-2.2 2,-0.2 1,-0.1 -3,-0.1 -0.408 58.1-115.6 -68.7 138.9 30.4 -4.2 -21.7 12 3 A T - 0 0 79 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.512 16.3-137.7 -89.1 142.5 27.1 -3.4 -19.9 13 4 A T - 0 0 122 -2,-0.2 2,-0.4 2,-0.0 -1,-0.0 -0.654 12.5-157.7 -89.4 146.9 25.9 -0.1 -18.7 14 5 A L - 0 0 55 -2,-0.3 2,-0.2 48,-0.1 48,-0.1 -0.958 12.1-139.3-128.3 111.5 24.3 0.2 -15.3 15 6 A A E -A 61 0A 67 46,-0.5 46,-1.8 -2,-0.4 2,-0.4 -0.519 28.6-174.7 -66.0 132.6 22.0 3.2 -14.6 16 7 A I E -A 60 0A 63 -2,-0.2 2,-0.5 44,-0.2 44,-0.2 -0.999 19.7-157.7-135.9 137.9 22.6 4.6 -11.1 17 8 A V E -A 59 0A 89 42,-2.8 42,-1.9 -2,-0.4 2,-1.4 -0.964 16.0-142.7-109.6 123.9 20.9 7.3 -9.0 18 9 A R E +A 58 0A 103 -2,-0.5 40,-0.2 40,-0.2 39,-0.1 -0.721 20.4 179.4 -83.0 90.2 22.9 8.8 -6.2 19 10 A L S S+ 0 0 87 -2,-1.4 39,-0.2 38,-1.0 -1,-0.2 0.809 85.7 42.2 -58.8 -31.5 20.1 9.2 -3.6 20 11 A D S > S- 0 0 39 37,-2.1 3,-1.6 -3,-0.2 -1,-0.3 -0.897 75.9-173.5-115.0 96.3 22.9 10.6 -1.4 21 12 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.551 74.4 76.2 -70.9 -6.6 24.9 12.9 -3.7 22 13 A G T 3 S+ 0 0 60 2,-0.1 35,-0.0 19,-0.0 -3,-0.0 0.555 84.2 76.9 -78.6 -10.0 27.5 13.4 -1.0 23 14 A L S < S- 0 0 8 -3,-1.6 -3,-0.1 34,-0.1 18,-0.0 -0.788 89.0-109.4 -99.6 146.1 29.0 10.0 -1.6 24 15 A P - 0 0 62 0, 0.0 15,-0.2 0, 0.0 3,-0.1 -0.273 42.7 -91.9 -62.5 156.2 31.3 9.1 -4.5 25 16 A L - 0 0 87 1,-0.1 12,-0.1 -4,-0.1 33,-0.0 -0.485 54.9 -94.6 -60.7 141.7 30.0 6.9 -7.3 26 17 A P - 0 0 22 0, 0.0 2,-0.3 0, 0.0 12,-0.1 -0.293 55.3-174.6 -53.7 142.0 30.9 3.2 -6.5 27 18 A S - 0 0 60 10,-0.5 10,-2.7 -3,-0.1 2,-0.3 -0.959 30.9-105.7-141.4 157.3 34.1 2.3 -8.3 28 19 A R - 0 0 147 -2,-0.3 8,-0.2 8,-0.3 3,-0.1 -0.672 25.4-140.1 -73.5 136.4 36.4 -0.7 -8.9 29 20 A A S S+ 0 0 58 6,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.938 84.0 6.5 -62.5 -45.2 39.6 -0.5 -6.7 30 21 A W S > S- 0 0 199 -3,-0.1 3,-2.4 1,-0.0 -1,-0.2 -0.946 95.5 -79.0-137.0 156.5 41.7 -1.8 -9.7 31 22 A D T 3 S+ 0 0 162 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.246 117.6 21.5 -53.6 136.8 41.2 -2.6 -13.3 32 23 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 2,-0.0 -3,-0.0 0.256 85.1 149.6 86.8 -10.5 39.5 -6.0 -13.8 33 24 A D < - 0 0 65 -3,-2.4 -1,-0.3 1,-0.1 -5,-0.1 -0.268 48.5-133.9 -60.8 143.3 38.0 -6.0 -10.2 34 25 A A S S+ 0 0 80 -3,-0.1 91,-0.5 90,-0.1 2,-0.3 0.801 78.4 33.3 -69.4 -32.3 34.8 -8.0 -10.1 35 26 A G - 0 0 3 89,-0.1 2,-0.4 -8,-0.1 -6,-0.4 -0.808 69.3-124.9-128.0 161.6 32.8 -5.4 -8.1 36 27 A V E -B 123 0B 30 87,-2.2 87,-3.1 -2,-0.3 2,-0.4 -0.882 41.8-112.7-100.7 137.2 32.3 -1.7 -7.5 37 28 A D E -B 122 0B 11 -10,-2.7 -10,-0.5 -2,-0.4 2,-0.3 -0.560 25.8-143.4 -78.3 132.1 32.6 -0.7 -3.8 38 29 A L E -B 121 0B 1 83,-2.2 82,-2.0 -2,-0.4 83,-1.0 -0.721 13.3-139.8 -91.1 139.3 29.5 0.5 -2.0 39 30 A Y E -B 119 0B 29 17,-0.4 2,-0.5 -2,-0.3 80,-0.2 -0.642 14.6-116.5 -92.4 155.5 29.7 3.3 0.6 40 31 A S - 0 0 0 78,-2.4 77,-3.0 75,-0.3 16,-0.2 -0.787 14.9-163.5 -83.9 131.1 27.8 3.6 3.8 41 32 A A S S+ 0 0 16 14,-3.2 2,-0.3 -2,-0.5 75,-0.2 0.596 72.1 56.4 -79.9 -11.0 25.5 6.6 3.8 42 33 A E S S- 0 0 66 13,-0.5 2,-0.5 73,-0.2 76,-0.2 -0.868 77.2-122.0-129.0 150.6 25.4 6.3 7.7 43 34 A D + 0 0 113 -2,-0.3 2,-0.3 72,-0.2 72,-0.2 -0.779 43.4 169.1 -79.6 130.5 27.4 6.1 10.9 44 35 A V E -E 114 0C 28 70,-2.4 70,-3.2 -2,-0.5 2,-0.5 -0.993 25.9-155.8-146.6 140.0 26.6 2.9 12.7 45 36 A E E -E 113 0C 134 -2,-0.3 2,-0.6 68,-0.2 68,-0.2 -0.978 11.6-163.6-115.6 121.4 28.1 1.0 15.7 46 37 A L E -E 112 0C 5 66,-2.9 66,-2.5 -2,-0.5 3,-0.1 -0.925 6.2-152.5-107.0 111.8 27.6 -2.7 15.8 47 38 A A > - 0 0 43 -2,-0.6 3,-2.5 64,-0.2 58,-0.4 -0.345 52.1 -64.3 -65.6 159.3 28.2 -4.5 19.2 48 39 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 58,-0.2 -0.230 126.2 10.4 -46.3 127.6 29.2 -8.2 18.9 49 40 A G T 3 S+ 0 0 50 56,-2.7 2,-0.2 58,-0.4 57,-0.1 0.283 100.6 122.5 85.4 -8.5 26.4 -10.2 17.4 50 41 A R < - 0 0 162 -3,-2.5 55,-2.5 55,-0.1 2,-0.3 -0.530 41.7-162.2 -88.5 154.1 24.4 -7.2 16.3 51 42 A R E -F 104 0D 177 53,-0.2 2,-0.3 -2,-0.2 53,-0.2 -0.872 4.7-169.4-128.3 161.1 23.2 -6.4 12.8 52 43 A A E -F 103 0D 28 51,-2.3 51,-0.8 -2,-0.3 2,-0.7 -0.972 27.0-125.2-146.4 155.9 21.9 -3.3 11.0 53 44 A L E -F 102 0D 107 -2,-0.3 2,-0.4 49,-0.2 49,-0.2 -0.925 39.1-160.8-104.5 105.0 20.3 -2.5 7.7 54 45 A V E -F 101 0D 1 47,-3.1 47,-2.6 -2,-0.7 2,-0.2 -0.748 13.1-128.8-101.0 130.9 22.6 0.2 6.3 55 46 A R E -F 100 0D 71 -2,-0.4 -14,-3.2 45,-0.2 -13,-0.5 -0.525 12.6-166.4 -73.7 137.5 21.8 2.6 3.5 56 47 A T - 0 0 2 43,-1.7 -17,-0.4 2,-0.3 -1,-0.1 0.488 35.6-124.0 -96.8 -10.6 24.3 2.9 0.6 57 48 A G S S+ 0 0 0 42,-0.3 -37,-2.1 1,-0.2 -38,-1.0 0.596 76.5 98.8 76.3 8.5 22.9 6.1 -0.9 58 49 A V E -A 18 0A 6 41,-0.4 41,-2.9 -40,-0.2 2,-0.3 -0.965 48.8-168.3-130.8 153.2 22.4 4.5 -4.3 59 50 A A E -A 17 0A 9 -42,-1.9 -42,-2.8 -2,-0.3 2,-0.3 -0.969 18.0-170.4-127.1 142.8 19.7 2.9 -6.5 60 51 A V E -A 16 0A 4 37,-0.5 2,-0.6 -2,-0.3 -44,-0.2 -0.895 25.7-135.0-129.2 162.3 20.5 0.9 -9.6 61 52 A A E -A 15 0A 26 -46,-1.8 -46,-0.5 -2,-0.3 32,-0.1 -0.826 23.7-158.5-115.0 85.9 18.6 -0.6 -12.6 62 53 A V - 0 0 2 -2,-0.6 4,-0.1 30,-0.4 3,-0.1 -0.475 32.1-106.2 -59.1 130.4 20.2 -4.1 -13.0 63 54 A P > - 0 0 39 0, 0.0 3,-2.1 0, 0.0 30,-0.1 -0.248 36.3 -94.4 -63.4 149.2 19.4 -5.1 -16.6 64 55 A F T 3 S+ 0 0 184 1,-0.3 3,-0.1 29,-0.1 28,-0.0 -0.392 117.8 34.8 -56.6 135.2 16.7 -7.7 -17.3 65 56 A G T 3 S+ 0 0 23 1,-0.4 63,-2.5 -3,-0.1 -1,-0.3 0.397 111.4 82.9 90.9 0.4 18.5 -11.1 -17.6 66 57 A M E < -C 127 0B 29 -3,-2.1 27,-0.5 61,-0.3 -1,-0.4 -0.736 61.3-148.6-127.7 175.2 21.0 -10.0 -14.9 67 58 A V E -C 126 0B 13 59,-2.4 59,-2.4 -2,-0.2 2,-0.4 -0.986 12.9-135.3-142.3 144.1 21.4 -9.8 -11.2 68 59 A G E -CD 125 91B 0 23,-2.4 23,-3.4 -2,-0.3 2,-0.5 -0.862 23.0-158.7 -96.8 139.8 23.2 -7.5 -8.8 69 60 A L E -CD 124 90B 19 55,-2.9 55,-2.7 -2,-0.4 2,-0.7 -0.982 7.5-151.8-126.8 123.7 25.1 -9.3 -6.0 70 61 A V E -CD 123 89B 4 19,-2.2 19,-2.4 -2,-0.5 53,-0.2 -0.866 22.9-179.6 -98.2 114.2 26.2 -7.6 -2.7 71 62 A H E -C 122 0B 53 51,-2.8 51,-2.3 -2,-0.7 2,-0.1 -0.860 28.1-110.7-113.8 150.9 29.3 -9.3 -1.3 72 63 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 49,-0.2 -0.386 34.5-112.1 -71.3 153.1 31.4 -8.5 1.9 73 64 A R > - 0 0 73 47,-0.3 4,-1.4 1,-0.1 9,-0.1 -0.700 19.9-136.4 -80.4 142.8 34.8 -7.0 1.6 74 65 A S H > S+ 0 0 102 -2,-0.3 4,-2.2 2,-0.2 5,-0.3 0.833 96.5 57.0 -72.7 -33.3 37.6 -9.5 2.6 75 66 A G H > S+ 0 0 36 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.969 110.9 41.5 -67.5 -50.2 39.7 -7.0 4.7 76 67 A L H >>S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 6,-1.8 0.846 111.6 58.6 -61.4 -35.3 36.9 -6.0 7.1 77 68 A A H X5S+ 0 0 39 -4,-1.4 4,-0.8 4,-0.3 -1,-0.2 0.942 117.5 30.4 -59.6 -48.9 35.8 -9.6 7.3 78 69 A T H <5S+ 0 0 128 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.919 122.0 48.4 -75.8 -46.4 39.2 -10.8 8.6 79 70 A R H <5S+ 0 0 127 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.900 135.4 3.5 -66.5 -43.3 40.2 -7.7 10.5 80 71 A V H <5S- 0 0 54 -4,-2.1 27,-0.3 -5,-0.3 -3,-0.2 0.392 97.4-108.2-128.2 2.8 37.1 -7.0 12.5 81 72 A G << + 0 0 17 -4,-0.8 25,-2.6 -5,-0.7 2,-0.3 0.736 56.9 165.2 77.2 23.2 34.7 -9.9 11.7 82 73 A L E +G 105 0D 6 -6,-1.8 -1,-0.2 23,-0.2 2,-0.2 -0.578 6.7 158.5 -75.1 132.6 32.3 -7.8 9.6 83 74 A S E -G 104 0D 34 21,-2.6 21,-2.1 -2,-0.3 2,-0.4 -0.757 39.8-113.0-139.4-174.3 29.9 -9.8 7.5 84 75 A I E > -G 103 0D 6 19,-0.2 3,-1.7 -2,-0.2 19,-0.2 -0.996 17.4-144.2-129.9 125.8 26.5 -9.5 5.7 85 76 A V T 3 S+ 0 0 79 17,-2.8 -1,-0.1 -2,-0.4 18,-0.1 0.886 100.1 34.4 -61.8 -44.7 23.6 -11.5 7.0 86 77 A N T 3 S- 0 0 91 16,-0.2 -1,-0.3 4,-0.0 -16,-0.1 0.106 96.8-168.2 -96.1 22.5 22.0 -12.3 3.6 87 78 A S S < S+ 0 0 51 -3,-1.7 -16,-0.1 15,-0.2 2,-0.0 -0.300 72.0 40.5 -62.3 137.4 25.3 -12.6 1.7 88 79 A P S S- 0 0 68 0, 0.0 -17,-0.2 0, 0.0 -1,-0.2 0.462 93.8-147.8 -79.3 129.0 25.4 -12.6 -1.3 89 80 A G E -D 70 0B 2 -19,-2.4 -19,-2.2 1,-0.1 2,-0.8 -0.400 12.2-137.7 -64.4 136.7 22.6 -10.0 -1.3 90 81 A T E -D 69 0B 85 -21,-0.2 2,-0.7 -4,-0.1 -21,-0.2 -0.868 16.1-166.5-109.6 104.0 20.4 -10.5 -4.4 91 82 A I E -D 68 0B 19 -23,-3.4 -23,-2.4 -2,-0.8 2,-0.1 -0.811 18.1-140.0 -92.4 115.3 19.4 -7.3 -6.2 92 83 A D > - 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