==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAR-09 2WE3 . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN HERPESVIRUS 4; . AUTHOR L.FREEMAN,M.BUISSON,N.TARBOURIECH,W.P.BURMEISTER . 240 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12715.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 30 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 4 6 2 1 3 0 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 . 2 2 0 3 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 0 217 0, 0.0 2,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.8 28.3 -10.6 7.9 2 2 A E + 0 0 179 1,-0.1 230,-0.0 228,-0.0 228,-0.0 -0.647 360.0 141.8 -82.1 96.1 24.9 -9.1 6.9 3 3 A A + 0 0 72 -2,-1.2 -1,-0.1 2,-0.1 229,-0.1 -0.242 17.1 127.8-137.8 48.1 24.3 -6.7 9.8 4 4 A a - 0 0 31 227,-0.3 229,-0.3 49,-0.0 3,-0.1 -0.926 45.6-147.2-110.9 111.9 22.7 -3.6 8.5 5 5 A P - 0 0 67 0, 0.0 228,-0.1 0, 0.0 -2,-0.1 -0.382 49.2 -76.5 -57.7 151.7 19.5 -2.2 10.0 6 6 A H - 0 0 89 226,-0.1 2,-0.8 1,-0.1 228,-0.2 -0.044 40.5-120.4 -47.7 154.0 17.3 -0.5 7.4 7 7 A I E -a 234 0A 0 226,-3.2 228,-2.5 -3,-0.1 2,-0.3 -0.923 30.4-147.4 -96.5 110.0 18.3 2.9 6.2 8 8 A R E +aB 235 49A 105 -2,-0.8 41,-2.8 41,-0.6 2,-0.3 -0.614 28.8 160.7 -79.5 136.7 15.2 5.1 7.0 9 9 A Y E -aB 236 48A 23 226,-1.4 228,-2.7 -2,-0.3 2,-0.3 -0.988 28.9-155.8-153.5 156.6 14.5 7.9 4.6 10 10 A A E - B 0 47A 3 37,-1.9 37,-2.4 -2,-0.3 2,-0.4 -0.982 18.8-169.5-134.5 144.7 11.8 10.3 3.4 11 11 A F E + B 0 46A 36 -2,-0.3 2,-0.3 35,-0.2 35,-0.2 -0.989 18.7 157.7-146.2 135.6 11.8 12.0 0.0 12 12 A Q + 0 0 150 33,-1.6 2,-0.2 -2,-0.4 -2,-0.0 -0.846 22.7 124.6-156.2 111.4 10.0 14.7 -1.7 13 13 A N > - 0 0 34 -2,-0.3 3,-1.2 3,-0.2 5,-0.1 -0.648 34.0-162.6-172.2 113.2 11.2 16.6 -4.7 14 14 A D T 3 S+ 0 0 91 1,-0.3 3,-0.1 -2,-0.2 31,-0.0 0.451 91.4 62.3 -87.7 1.1 9.4 17.0 -8.0 15 15 A K T 3 S+ 0 0 124 1,-0.1 14,-3.1 14,-0.1 15,-0.6 0.527 103.2 57.7 -94.8 -5.9 12.6 18.2 -9.8 16 16 A L E < S-E 28 0B 6 -3,-1.2 2,-0.6 12,-0.2 12,-0.2 -0.983 74.5-139.7-125.7 134.8 14.3 14.8 -9.1 17 17 A L E -E 27 0B 84 10,-2.5 10,-2.2 -2,-0.4 2,-0.7 -0.800 15.9-138.4 -91.1 122.1 13.2 11.2 -10.0 18 18 A L E +E 26 0B 46 -2,-0.6 8,-0.2 8,-0.2 -7,-0.0 -0.726 25.5 175.7 -74.9 116.3 13.8 8.6 -7.4 19 19 A Q 0 0 98 6,-2.7 -1,-0.2 -2,-0.7 7,-0.2 0.710 360.0 360.0 -85.4 -19.0 15.1 5.6 -9.3 20 20 A Q 0 0 99 5,-0.9 214,-0.2 -3,-0.1 -1,-0.1 0.003 360.0 360.0-113.9 360.0 15.8 3.5 -6.3 21 ! 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 22 24 A G 0 0 43 0, 0.0 84,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -5.2 21.9 -0.9 -1.0 23 25 A R E - F 0 105B 54 82,-0.2 2,-0.4 -3,-0.1 82,-0.2 -0.983 360.0-150.5-134.5 128.8 22.1 2.4 -2.9 24 26 A L E - F 0 104B 2 80,-3.2 80,-2.4 -2,-0.4 2,-0.4 -0.786 19.1-171.6 -93.9 137.7 19.6 5.2 -3.4 25 27 A T E - F 0 103B 3 -2,-0.4 -6,-2.7 78,-0.2 -5,-0.9 -0.996 9.3-168.8-133.7 135.2 19.8 7.1 -6.7 26 28 A L E -EF 18 102B 1 76,-2.4 76,-2.9 -2,-0.4 2,-0.3 -0.889 8.5-154.6-117.2 148.2 18.1 10.3 -7.9 27 29 A V E -EF 17 101B 6 -10,-2.2 -10,-2.5 -2,-0.3 2,-0.3 -0.920 23.1-112.4-118.8 147.3 18.1 11.6 -11.4 28 30 A N E -E 16 0B 2 72,-1.4 70,-2.5 -2,-0.3 -12,-0.2 -0.631 21.0-169.3 -78.9 138.8 17.5 15.3 -12.4 29 31 A K S S+ 0 0 109 -14,-3.1 2,-0.2 -2,-0.3 -13,-0.1 0.744 70.9 42.0 -94.3 -24.9 14.3 16.1 -14.3 30 32 A T S S- 0 0 67 -15,-0.6 68,-0.1 66,-0.1 2,-0.1 -0.727 98.6 -86.3-119.9 160.6 15.2 19.7 -15.4 31 33 A T - 0 0 80 -2,-0.2 2,-0.5 66,-0.1 65,-0.2 -0.459 38.2-149.2 -71.3 143.3 18.4 21.3 -16.7 32 34 A I E -I 95 0C 26 63,-2.2 63,-3.3 -2,-0.1 2,-0.5 -0.975 6.9-154.4-112.4 121.2 20.7 22.5 -13.9 33 35 A L E -I 94 0C 85 -2,-0.5 2,-0.5 61,-0.2 61,-0.2 -0.873 4.5-158.0 -96.8 132.6 22.8 25.4 -14.8 34 36 A L E -I 93 0C 0 59,-3.6 59,-2.3 -2,-0.5 6,-0.1 -0.951 11.7-138.8-109.0 121.1 26.1 25.8 -12.9 35 37 A R > - 0 0 159 -2,-0.5 3,-0.7 57,-0.2 52,-0.3 -0.438 28.3-111.1 -64.0 150.4 27.7 29.2 -12.8 36 38 A P T 3 S+ 0 0 26 0, 0.0 54,-0.1 0, 0.0 150,-0.1 -0.588 97.1 15.3 -80.3 154.9 31.5 29.2 -13.3 37 39 A M T 3 S+ 0 0 40 52,-0.4 149,-0.9 50,-0.4 2,-0.3 0.541 112.1 93.4 65.7 8.6 33.7 30.1 -10.2 38 40 A K S < S- 0 0 108 -3,-0.7 49,-0.5 147,-0.2 2,-0.4 -0.919 80.8-104.4-130.9 157.0 30.7 29.6 -7.9 39 41 A T E - C 0 86A 35 -2,-0.3 2,-0.5 123,-0.3 47,-0.2 -0.668 28.9-157.0 -78.5 130.9 29.3 26.8 -5.8 40 42 A T E - C 0 85A 19 45,-2.4 45,-3.4 -2,-0.4 2,-0.3 -0.953 10.4-166.4-109.4 135.7 26.2 25.1 -7.1 41 43 A T E - C 0 84A 42 -2,-0.5 2,-0.5 43,-0.2 43,-0.2 -0.881 11.2-152.8-123.3 139.6 24.0 23.3 -4.6 42 44 A V E - C 0 83A 14 41,-2.7 41,-2.4 -2,-0.3 2,-0.5 -0.971 13.4-144.6-116.6 113.8 21.1 20.8 -5.2 43 45 A D E - C 0 82A 84 -2,-0.5 39,-0.2 39,-0.2 38,-0.1 -0.701 15.0-165.1 -77.9 124.5 18.5 20.7 -2.5 44 46 A L E - 0 0 0 37,-1.8 -32,-0.2 -2,-0.5 -1,-0.1 0.671 21.3-138.4 -91.1 -20.4 17.5 17.0 -2.4 45 47 A G E + 0 0 12 36,-0.3 -33,-1.6 1,-0.2 2,-0.5 0.727 65.4 133.6 63.5 22.5 14.2 16.9 -0.4 46 48 A L E -BC 11 81A 1 35,-0.5 35,-3.5 -35,-0.2 2,-0.4 -0.911 37.3-180.0-117.8 124.5 15.9 13.9 1.1 47 49 A Y E +B 10 0A 30 -37,-2.4 -37,-1.9 -2,-0.5 2,-0.3 -0.934 12.5 172.3-116.2 144.6 16.2 12.9 4.7 48 50 A A E -B 9 0A 3 31,-0.5 -39,-0.3 -2,-0.4 31,-0.1 -0.913 26.7-141.4-160.4 129.0 18.0 9.7 5.8 49 51 A R E -B 8 0A 33 -41,-2.8 -41,-0.6 -2,-0.3 29,-0.1 -0.785 21.4-135.0 -94.5 113.1 19.1 8.1 9.0 50 52 A P - 0 0 11 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.520 33.7-123.1 -59.7 125.9 22.5 6.4 8.9 51 53 A P > - 0 0 6 0, 0.0 3,-2.3 0, 0.0 -44,-0.1 -0.212 43.2 -63.0 -73.9 165.7 21.8 3.0 10.7 52 54 A E T 3 S+ 0 0 176 1,-0.3 3,-0.1 56,-0.0 0, 0.0 -0.154 123.3 12.3 -55.8 131.9 23.8 1.9 13.7 53 55 A G T 3 S+ 0 0 42 1,-0.2 56,-1.5 -3,-0.1 2,-0.3 0.285 116.0 88.4 91.1 -9.4 27.5 1.3 13.0 54 56 A H E < -G 108 0B 6 -3,-2.3 54,-0.2 54,-0.2 -1,-0.2 -0.809 54.4-158.5-123.0 158.6 27.3 3.1 9.6 55 57 A G E -G 107 0B 0 52,-2.6 52,-1.6 -2,-0.3 2,-0.4 -0.687 26.8-117.2-116.5-179.6 27.6 6.4 7.9 56 58 A L E -GH 106 73B 0 17,-2.0 17,-3.6 -2,-0.2 2,-0.5 -0.936 14.0-149.3-120.3 148.1 26.2 7.5 4.6 57 59 A M E -GH 105 72B 0 48,-3.1 48,-1.8 -2,-0.4 2,-0.5 -0.961 12.6-168.5-115.3 127.4 28.1 8.6 1.5 58 60 A L E +GH 104 71B 6 13,-2.6 13,-3.0 -2,-0.5 2,-0.3 -0.959 16.4 156.1-115.4 134.0 26.5 11.1 -0.9 59 61 A W E -G 103 0B 6 44,-2.4 44,-3.0 -2,-0.5 2,-0.3 -0.996 34.8-130.1-155.8 150.5 27.8 11.9 -4.3 60 62 A G E -G 102 0B 13 9,-0.3 2,-0.4 -2,-0.3 8,-0.3 -0.773 20.5-159.1 -94.3 145.6 26.8 13.2 -7.7 61 63 A S E +G 101 0B 48 40,-2.7 40,-2.4 -2,-0.3 2,-0.3 -0.997 25.5 143.5-129.7 126.0 27.8 11.2 -10.9 62 64 A T - 0 0 39 -2,-0.4 38,-0.1 38,-0.2 6,-0.1 -0.975 47.5-141.8-152.2 157.7 28.0 12.9 -14.3 63 65 A S S S+ 0 0 121 36,-0.4 37,-0.1 -2,-0.3 36,-0.0 0.306 77.5 100.1-105.8 8.6 30.0 12.8 -17.5 64 66 A R S S- 0 0 97 35,-0.3 2,-2.5 1,-0.1 -2,-0.1 -0.416 98.3 -87.3 -82.1 168.4 29.7 16.5 -17.8 65 67 A P S S+ 0 0 21 0, 0.0 23,-2.6 0, 0.0 24,-0.5 -0.308 91.8 113.1 -77.6 59.7 32.5 18.9 -16.8 66 68 A V E -D 87 0A 12 -2,-2.5 2,-0.5 21,-0.2 21,-0.2 -0.964 53.8-150.7-135.3 139.3 31.2 19.1 -13.2 67 69 A T E -D 86 0A 45 19,-2.6 19,-2.6 -2,-0.4 2,-0.3 -0.980 12.0-147.8-118.2 128.8 32.8 17.8 -10.0 68 70 A S E -D 85 0A 20 -2,-0.5 2,-0.3 -8,-0.3 17,-0.2 -0.704 18.0-121.3 -89.2 141.5 30.7 16.7 -7.0 69 71 A H - 0 0 12 15,-3.1 2,-0.8 -2,-0.3 -9,-0.3 -0.614 28.6-129.0 -67.1 136.2 31.8 17.1 -3.4 70 72 A V - 0 0 15 97,-0.3 86,-0.4 -2,-0.3 2,-0.3 -0.869 30.7-148.7 -91.4 112.8 31.8 13.5 -1.9 71 73 A G E -H 58 0B 6 -13,-3.0 -13,-2.6 -2,-0.8 2,-0.6 -0.637 13.1-152.0 -92.3 133.4 29.6 14.0 1.2 72 74 A I E -H 57 0B 14 -2,-0.3 2,-0.6 84,-0.3 -15,-0.2 -0.940 17.0-152.3 -95.7 117.9 30.0 12.0 4.5 73 75 A I E -H 56 0B 15 -17,-3.6 -17,-2.0 -2,-0.6 8,-0.0 -0.850 11.1-143.0 -95.0 117.5 26.6 11.9 6.3 74 76 A D > - 0 0 34 -2,-0.6 3,-2.1 -19,-0.2 43,-0.1 -0.485 18.3-120.9 -79.1 148.0 26.9 11.6 10.1 75 77 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 0.836 113.5 58.0 -55.9 -33.2 24.5 9.5 12.2 76 78 A G T 3 S+ 0 0 37 -27,-0.1 2,-0.4 2,-0.0 -27,-0.0 0.575 79.8 107.9 -74.0 -8.6 23.6 12.7 14.1 77 79 A Y < + 0 0 102 -3,-2.1 -29,-0.2 1,-0.1 4,-0.1 -0.563 33.1 164.6 -79.7 125.2 22.4 14.6 11.0 78 80 A T + 0 0 81 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.293 45.0 92.5-125.1 6.6 18.7 14.9 11.0 79 81 A G S S- 0 0 26 1,-0.1 -31,-0.5 -31,-0.1 2,-0.3 -0.115 86.7 -69.4 -89.7-171.6 18.2 17.6 8.3 80 82 A E - 0 0 68 -33,-0.1 -33,-0.2 1,-0.1 2,-0.2 -0.645 53.0-116.3 -80.5 135.4 17.6 17.6 4.6 81 83 A L E -C 46 0A 3 -35,-3.5 -37,-1.8 -2,-0.3 -35,-0.5 -0.512 29.2-164.2 -69.6 138.6 20.6 16.3 2.5 82 84 A R E -C 43 0A 116 -2,-0.2 2,-0.4 -39,-0.2 -39,-0.2 -0.989 10.3-141.3-126.4 138.8 22.2 18.8 0.1 83 85 A L E -C 42 0A 2 -41,-2.4 -41,-2.7 -2,-0.4 2,-0.5 -0.773 12.6-150.0 -98.6 139.4 24.5 18.0 -2.9 84 86 A I E +C 41 0A 10 -2,-0.4 -15,-3.1 -15,-0.3 2,-0.3 -0.955 18.4 178.4-115.3 124.9 27.4 20.3 -3.6 85 87 A L E -CD 40 68A 1 -45,-3.4 -45,-2.4 -2,-0.5 2,-0.3 -0.912 11.8-159.1-124.5 152.3 28.8 20.7 -7.2 86 88 A Q E -CD 39 67A 1 -19,-2.6 -19,-2.6 -2,-0.3 2,-0.5 -0.944 20.0-122.5-129.3 155.6 31.5 22.7 -8.8 87 89 A N E - 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