==== 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 2WE2 . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN HERPESVIRUS 4; . AUTHOR L.FREEMAN,M.BUISSON,N.TARBOURIECH,W.P.BURMEISTER . 248 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 37.9 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 . 2 0.8 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 . 33 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 . 1 5 5 2 1 3 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 . 2 2 0 2 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 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 4 A a 0 0 70 0, 0.0 239,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 129.0 32.0 11.6 -13.1 2 5 A P - 0 0 72 0, 0.0 238,-0.1 0, 0.0 0, 0.0 -0.238 360.0 -62.5 -71.8 171.6 34.0 9.1 -15.3 3 6 A H - 0 0 91 236,-0.1 2,-0.7 46,-0.1 238,-0.2 -0.149 36.6-135.3 -60.5 144.5 32.2 6.1 -16.7 4 7 A I E -a 241 0A 0 236,-3.0 238,-3.0 45,-0.1 2,-0.4 -0.923 25.6-147.9 -91.5 115.1 30.7 3.3 -14.7 5 8 A R E +aB 242 48A 100 43,-1.8 43,-2.8 -2,-0.7 2,-0.3 -0.698 28.7 165.5 -85.9 136.9 31.9 0.1 -16.4 6 9 A Y E -aB 243 47A 18 236,-2.2 238,-3.2 -2,-0.4 2,-0.4 -0.976 30.5-154.3-148.4 158.8 29.4 -2.7 -16.2 7 10 A A E - B 0 46A 1 39,-2.6 39,-2.5 -2,-0.3 2,-0.4 -0.994 14.9-175.3-131.8 146.1 28.3 -6.1 -17.5 8 11 A F E + B 0 45A 36 -2,-0.4 2,-0.3 37,-0.2 37,-0.2 -0.961 14.7 154.7-144.7 123.9 24.8 -7.5 -17.5 9 12 A Q + 0 0 71 35,-2.2 2,-0.2 -2,-0.4 -2,-0.0 -0.866 20.7 127.0-149.6 111.2 23.5 -10.9 -18.5 10 13 A N > - 0 0 39 -2,-0.3 3,-1.7 3,-0.2 33,-0.0 -0.678 38.0-158.7-165.7 108.2 20.4 -12.4 -17.1 11 14 A D T 3 S+ 0 0 109 1,-0.3 -1,-0.0 -2,-0.2 3,-0.0 0.647 94.2 60.8 -64.7 -15.4 17.5 -13.7 -19.2 12 15 A K T 3 S+ 0 0 124 16,-0.1 16,-2.8 15,-0.0 17,-0.8 0.537 102.5 56.9 -89.9 -6.8 15.1 -13.3 -16.2 13 16 A L E < S-E 27 0B 9 -3,-1.7 2,-0.5 14,-0.2 -3,-0.2 -0.954 72.0-141.2-126.4 144.7 15.6 -9.5 -16.0 14 17 A L E -E 26 0B 92 12,-2.9 12,-2.2 -2,-0.4 2,-1.0 -0.887 15.2-132.4-103.6 132.2 15.2 -6.7 -18.5 15 18 A L E -E 25 0B 58 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.744 26.5-177.6 -74.6 106.7 17.5 -3.7 -18.8 16 19 A Q E - 0 0 100 8,-2.4 2,-0.3 -2,-1.0 -1,-0.2 0.956 57.1 -42.9 -70.2 -53.8 14.9 -0.9 -18.9 17 20 A Q E -E 24 0B 90 7,-1.2 7,-2.5 -3,-0.2 2,-0.5 -0.962 33.1-139.4-169.9 158.8 17.4 1.9 -19.4 18 21 A A E +E 23 0B 46 -2,-0.3 2,-0.4 5,-0.2 5,-0.3 -0.918 50.1 152.6-126.9 98.3 20.8 3.3 -18.3 19 22 A S E > -E 22 0B 46 3,-2.3 3,-2.4 -2,-0.5 220,-0.1 -0.984 53.3 -5.1-139.8 141.5 20.1 7.0 -18.2 20 23 A V T 3 S- 0 0 75 -2,-0.4 219,-0.1 1,-0.3 220,-0.1 0.768 129.8 -48.8 44.4 35.7 21.3 10.1 -16.3 21 24 A G T 3 S+ 0 0 3 218,-0.3 84,-0.6 217,-0.2 2,-0.4 0.479 117.7 101.2 90.5 4.0 23.6 7.9 -14.2 22 25 A R E < -EF 19 104B 47 -3,-2.4 -3,-2.3 82,-0.2 2,-0.4 -0.984 53.3-155.9-126.5 129.1 21.2 5.2 -13.1 23 26 A L E -EF 18 103B 1 80,-2.7 80,-2.1 -2,-0.4 2,-0.4 -0.843 15.6-163.7 -96.9 135.5 20.8 1.7 -14.5 24 27 A T E -EF 17 102B 3 -7,-2.5 -8,-2.4 -2,-0.4 -7,-1.2 -0.986 8.7-174.1-128.7 126.5 17.4 0.1 -14.1 25 28 A L E -EF 15 101B 0 76,-2.8 76,-2.7 -2,-0.4 2,-0.3 -0.831 7.2-159.6-110.7 150.9 16.4 -3.5 -14.4 26 29 A V E -EF 14 100B 12 -12,-2.2 -12,-2.9 -2,-0.3 2,-0.4 -0.970 26.4-105.7-128.6 147.4 12.9 -5.0 -14.2 27 30 A N E -E 13 0B 1 72,-1.6 70,-2.6 -2,-0.3 -14,-0.2 -0.581 24.8-173.8 -75.7 131.7 11.8 -8.5 -13.5 28 31 A K S S+ 0 0 119 -16,-2.8 2,-0.3 -2,-0.4 -15,-0.2 0.610 71.1 45.7 -92.7 -18.2 10.6 -10.5 -16.5 29 32 A T S S- 0 0 58 -17,-0.8 2,-0.3 66,-0.1 68,-0.2 -0.812 98.5 -85.8-124.7 163.7 9.5 -13.5 -14.4 30 33 A T - 0 0 82 -2,-0.3 2,-0.6 66,-0.1 65,-0.2 -0.541 36.3-154.2 -73.8 130.7 7.5 -14.0 -11.2 31 34 A I E -I 94 0C 21 63,-2.4 63,-2.5 -2,-0.3 2,-0.5 -0.937 9.2-149.9-108.4 115.1 9.6 -13.8 -8.1 32 35 A L E -I 93 0C 86 -2,-0.6 2,-0.7 61,-0.2 61,-0.2 -0.759 6.8-163.0 -89.9 125.4 8.2 -15.7 -5.1 33 36 A L E -I 92 0C 0 59,-3.0 59,-2.6 -2,-0.5 6,-0.1 -0.932 10.0-150.9-106.6 110.3 8.9 -14.5 -1.6 34 37 A R > - 0 0 131 -2,-0.7 3,-1.0 57,-0.2 52,-0.3 -0.467 30.3-101.8 -69.5 148.4 8.2 -17.1 1.0 35 38 A P T 3 S+ 0 0 28 0, 0.0 54,-0.1 0, 0.0 158,-0.1 -0.440 100.5 14.1 -73.1 152.0 7.1 -15.6 4.4 36 39 A M T 3 S+ 0 0 50 52,-0.5 157,-0.9 155,-0.4 2,-0.3 0.552 111.8 95.5 69.6 11.1 9.7 -15.4 7.2 37 40 A K S < S- 0 0 90 -3,-1.0 49,-0.5 155,-0.2 2,-0.3 -0.904 75.9-110.0-134.5 154.5 12.5 -16.1 4.8 38 41 A T E - C 0 85A 31 -2,-0.3 2,-0.5 131,-0.2 47,-0.2 -0.657 23.2-157.9 -83.0 138.9 15.1 -14.2 2.8 39 42 A T E - C 0 84A 20 45,-2.4 45,-3.3 -2,-0.3 2,-0.5 -0.988 8.6-165.5-115.9 125.9 14.8 -14.0 -1.0 40 43 A T E - C 0 83A 38 -2,-0.5 2,-0.7 43,-0.2 43,-0.2 -0.945 7.8-153.6-116.8 123.6 18.0 -13.2 -2.9 41 44 A V E - C 0 82A 18 41,-2.9 41,-2.3 -2,-0.5 2,-0.8 -0.858 10.0-146.8 -97.2 116.1 18.0 -12.2 -6.6 42 45 A D E - C 0 81A 89 -2,-0.7 39,-0.2 39,-0.2 38,-0.0 -0.762 15.8-164.9 -80.0 112.8 21.2 -13.0 -8.4 43 46 A L E - 0 0 0 37,-1.9 -1,-0.2 -2,-0.8 -34,-0.1 0.712 21.2-136.3 -80.9 -22.5 21.3 -10.1 -10.8 44 47 A G E + 0 0 8 36,-0.4 -35,-2.2 1,-0.3 2,-0.4 0.782 64.2 133.4 65.2 27.6 24.0 -11.2 -13.3 45 48 A L E -BC 8 80A 2 35,-0.5 35,-2.8 -37,-0.2 2,-0.4 -0.928 34.8-179.3-117.5 133.4 25.2 -7.6 -13.0 46 49 A Y E +B 7 0A 22 -39,-2.5 -39,-2.6 -2,-0.4 2,-0.3 -0.976 10.5 174.1-131.7 138.7 28.8 -6.6 -12.5 47 50 A A E -B 6 0A 5 31,-0.4 -41,-0.2 -2,-0.4 8,-0.1 -0.998 23.4-160.6-154.2 148.3 30.0 -3.0 -12.1 48 51 A R E -B 5 0A 66 -43,-2.8 -43,-1.8 -2,-0.3 27,-0.1 -0.982 20.6-145.3-131.3 116.1 33.0 -0.8 -11.4 49 52 A P - 0 0 15 0, 0.0 -45,-0.1 0, 0.0 3,-0.1 -0.455 25.4-104.5 -78.6 154.4 32.5 2.8 -10.2 50 53 A P > - 0 0 14 0, 0.0 3,-1.9 0, 0.0 -46,-0.1 -0.229 57.7 -58.5 -72.2 170.8 34.9 5.5 -11.2 51 54 A E T 3 S+ 0 0 168 1,-0.3 3,-0.1 56,-0.0 0, 0.0 -0.114 123.0 15.9 -47.4 134.3 37.5 7.0 -8.9 52 55 A G T 3 S+ 0 0 27 1,-0.2 56,-1.3 -3,-0.1 2,-0.3 0.373 108.8 100.0 83.9 -1.8 36.2 8.6 -5.7 53 56 A H E < -G 107 0B 3 -3,-1.9 54,-0.2 54,-0.2 2,-0.2 -0.808 49.7-162.9-117.6 154.1 32.8 6.9 -6.0 54 57 A G E -G 106 0B 0 52,-2.6 52,-2.0 -2,-0.3 2,-0.4 -0.680 28.1-113.5-112.2 178.7 30.9 3.9 -4.6 55 58 A L E -GH 105 72B 0 17,-1.8 17,-3.3 -2,-0.2 2,-0.5 -0.931 14.9-148.3-118.2 147.4 27.7 2.4 -6.0 56 59 A M E -GH 104 71B 0 48,-3.2 48,-1.7 -2,-0.4 2,-0.5 -0.949 12.2-168.9-112.4 125.1 24.2 2.3 -4.5 57 60 A L E +GH 103 70B 4 13,-2.6 13,-2.8 -2,-0.5 2,-0.3 -0.969 18.5 156.3-118.6 124.6 22.0 -0.8 -5.3 58 61 A W E -G 102 0B 2 44,-2.3 44,-3.3 -2,-0.5 2,-0.3 -0.992 30.9-135.7-148.3 157.8 18.3 -0.7 -4.4 59 62 A G E -G 101 0B 12 -2,-0.3 2,-0.4 9,-0.2 8,-0.3 -0.822 13.2-162.4-110.8 153.2 15.0 -2.2 -5.2 60 63 A S E +G 100 0B 45 40,-2.6 40,-2.5 -2,-0.3 2,-0.3 -0.998 21.5 145.7-136.6 129.4 11.6 -0.4 -5.7 61 64 A T - 0 0 34 -2,-0.4 4,-0.1 38,-0.2 38,-0.1 -0.980 45.3-141.5-155.8 154.6 8.2 -2.0 -5.6 62 65 A S S S+ 0 0 109 36,-0.4 37,-0.1 -2,-0.3 -1,-0.0 0.451 79.3 98.1 -92.3 -2.8 4.6 -1.1 -4.6 63 66 A R S S- 0 0 92 35,-0.3 2,-2.4 1,-0.1 -2,-0.1 -0.354 97.9 -91.3 -80.1 166.0 4.2 -4.7 -3.3 64 67 A P S S+ 0 0 20 0, 0.0 23,-2.6 0, 0.0 24,-0.5 -0.322 89.6 113.2 -80.1 61.5 4.6 -5.6 0.4 65 68 A V E -D 86 0A 10 -2,-2.4 2,-0.4 21,-0.2 21,-0.2 -0.992 51.5-155.3-134.7 134.4 8.3 -6.4 -0.0 66 69 A T E -D 85 0A 46 19,-2.4 19,-2.5 -2,-0.4 2,-0.3 -0.940 11.3-153.8-113.7 132.7 11.3 -4.5 1.5 67 70 A S E -D 84 0A 24 -2,-0.4 17,-0.2 -8,-0.3 2,-0.2 -0.809 19.7-114.0-105.2 149.6 14.7 -4.6 -0.1 68 71 A H - 0 0 17 15,-2.9 2,-0.7 -2,-0.3 15,-0.3 -0.549 28.2-129.2 -66.4 138.3 18.1 -4.2 1.5 69 72 A V - 0 0 13 105,-0.3 2,-0.4 -2,-0.2 94,-0.3 -0.878 29.7-147.2 -93.3 114.7 19.9 -1.0 0.2 70 73 A G E -H 57 0B 8 -13,-2.8 -13,-2.6 -2,-0.7 2,-0.6 -0.722 13.1-154.4 -92.0 133.0 23.3 -2.2 -0.9 71 74 A I E -H 56 0B 18 -2,-0.4 2,-0.6 92,-0.3 -15,-0.2 -0.921 18.5-152.8 -99.9 120.6 26.5 -0.2 -0.6 72 75 A I E -H 55 0B 16 -17,-3.3 -17,-1.8 -2,-0.6 8,-0.0 -0.872 10.6-133.6-104.0 121.3 28.9 -1.5 -3.3 73 76 A D > - 0 0 33 -2,-0.6 3,-1.9 -19,-0.2 51,-0.1 -0.423 17.0-119.6 -78.3 148.1 32.6 -1.1 -2.6 74 77 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 50,-0.1 0.777 112.7 50.1 -56.1 -31.1 35.0 0.2 -5.2 75 78 A D T 3 S+ 0 0 100 48,-0.4 2,-0.6 -27,-0.1 49,-0.1 0.416 80.7 119.2 -86.8 -3.1 37.1 -3.0 -5.2 76 79 A Y < + 0 0 95 -3,-1.9 -29,-0.3 1,-0.2 -4,-0.0 -0.557 25.0 162.2 -76.2 114.2 34.1 -5.4 -5.6 77 80 A T + 0 0 72 -2,-0.6 -1,-0.2 -31,-0.1 3,-0.1 0.283 45.0 97.8-113.8 9.0 34.4 -7.4 -8.8 78 81 A G S S- 0 0 27 1,-0.2 -31,-0.4 -31,-0.1 2,-0.2 -0.063 85.7 -68.4 -81.0-171.7 31.9 -10.1 -7.9 79 82 A E - 0 0 63 -33,-0.1 2,-0.3 170,-0.1 -33,-0.2 -0.579 47.1-122.2 -80.4 142.2 28.2 -10.5 -8.9 80 83 A L E -C 45 0A 3 -35,-2.8 -37,-1.9 -2,-0.2 -35,-0.5 -0.670 29.1-168.6 -84.8 138.6 25.6 -8.0 -7.5 81 84 A R E -C 42 0A 116 -2,-0.3 2,-0.5 -39,-0.2 -39,-0.2 -0.967 16.6-141.0-126.5 146.2 22.7 -9.4 -5.6 82 85 A L E -C 41 0A 0 -41,-2.3 -41,-2.9 -2,-0.4 2,-0.6 -0.921 16.2-151.1-105.3 128.3 19.4 -7.9 -4.4 83 86 A I E -C 40 0A 8 -2,-0.5 -15,-2.9 -15,-0.3 2,-0.3 -0.900 18.2-172.3-106.0 120.7 18.3 -9.1 -0.9 84 87 A L E -CD 39 67A 0 -45,-3.3 -45,-2.4 -2,-0.6 2,-0.3 -0.846 11.2-163.3-118.3 148.0 14.5 -9.0 -0.4 85 88 A Q E -CD 38 66A 0 -19,-2.5 -19,-2.4 -2,-0.3 2,-0.5 -0.963 20.4-125.2-129.3 148.3 12.2 -9.5 2.6 86 89 A N E - 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