==== 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 2WE1 . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN HERPESVIRUS 4; . AUTHOR L.FREEMAN,M.BUISSON,N.TARBOURIECH,W.P.BURMEISTER . 245 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12065.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 65.3 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 . 93 38.0 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 . 1 0.4 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 13.5 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 . 2 4 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 74 0, 0.0 237,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 126.7 -4.3 -11.7 -13.1 2 5 A P - 0 0 71 0, 0.0 236,-0.1 0, 0.0 0, 0.0 -0.363 360.0 -59.4 -77.4 169.4 -6.2 -9.2 -15.3 3 6 A H - 0 0 93 234,-0.1 2,-0.6 46,-0.1 236,-0.2 -0.010 35.5-138.2 -53.2 142.9 -4.5 -6.0 -16.6 4 7 A I E -a 239 0A 0 234,-2.7 236,-3.2 45,-0.1 2,-0.3 -0.954 26.9-146.1 -93.1 117.3 -3.0 -3.3 -14.5 5 8 A R E +aB 240 48A 95 43,-1.7 43,-2.5 -2,-0.6 2,-0.3 -0.695 29.2 166.3 -87.4 138.6 -4.1 -0.2 -16.3 6 9 A Y E -aB 241 47A 19 234,-2.1 236,-3.4 -2,-0.3 2,-0.3 -0.985 29.7-156.2-152.6 160.4 -1.6 2.7 -16.2 7 10 A A E - B 0 46A 1 39,-2.4 39,-2.3 -2,-0.3 2,-0.4 -0.988 13.3-172.7-138.0 146.0 -0.6 6.0 -17.5 8 11 A F E + B 0 45A 35 -2,-0.3 2,-0.3 37,-0.2 37,-0.2 -0.975 15.1 156.4-146.6 125.1 2.9 7.5 -17.5 9 12 A Q + 0 0 145 35,-2.2 2,-0.2 -2,-0.4 -2,-0.0 -0.842 23.4 121.9-152.1 104.4 4.1 10.9 -18.4 10 13 A N > - 0 0 32 -2,-0.3 3,-1.8 3,-0.2 34,-0.0 -0.582 38.6-159.8-167.2 108.0 7.3 12.4 -17.1 11 14 A D T 3 S+ 0 0 128 1,-0.3 -1,-0.0 -2,-0.2 0, 0.0 0.615 92.4 63.3 -69.9 -11.9 10.2 13.6 -19.2 12 15 A K T 3 S+ 0 0 124 16,-0.1 16,-2.6 31,-0.1 17,-0.8 0.541 101.7 55.4 -87.8 -6.6 12.6 13.2 -16.2 13 16 A L E < S-E 27 0B 9 -3,-1.8 2,-0.5 14,-0.2 -3,-0.2 -0.954 73.5-140.5-125.4 145.5 12.1 9.4 -15.9 14 17 A L E -E 26 0B 91 12,-2.9 12,-2.1 -2,-0.4 2,-1.0 -0.884 15.3-131.8-100.8 130.9 12.6 6.7 -18.5 15 18 A L E -E 25 0B 55 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.763 26.2-176.9 -72.5 108.7 10.3 3.7 -18.8 16 19 A Q E - 0 0 98 8,-2.4 2,-0.3 -2,-1.0 -1,-0.2 0.962 57.5 -44.2 -70.6 -55.1 12.9 0.9 -18.9 17 20 A Q E -E 24 0B 78 7,-1.2 7,-2.8 -3,-0.2 2,-0.4 -0.977 33.1-136.7-164.0 167.6 10.3 -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 -0.861 49.5 158.0-131.3 97.5 7.0 -3.3 -18.3 19 22 A S E > -E 22 0B 48 3,-2.6 3,-2.1 -2,-0.4 218,-0.1 -0.965 52.8 -9.1-137.6 138.5 7.8 -7.0 -18.0 20 23 A V T 3 S- 0 0 72 -2,-0.4 -1,-0.1 1,-0.3 218,-0.1 0.792 130.1 -47.1 45.0 37.8 6.4 -10.1 -16.3 21 24 A G T 3 S+ 0 0 3 216,-0.3 84,-0.6 215,-0.2 2,-0.4 0.518 119.1 102.6 88.1 6.8 4.0 -7.9 -14.2 22 25 A R E < -EF 19 104B 40 -3,-2.1 -3,-2.6 82,-0.2 2,-0.4 -0.982 53.2-158.1-124.4 128.1 6.6 -5.3 -13.1 23 26 A L E -EF 18 103B 0 80,-2.7 80,-1.9 -2,-0.4 2,-0.4 -0.875 14.3-163.8 -97.4 135.5 7.0 -1.8 -14.5 24 27 A T E -EF 17 102B 1 -7,-2.8 -8,-2.4 -2,-0.4 -7,-1.2 -0.982 8.1-174.6-127.4 125.2 10.4 -0.2 -14.0 25 28 A L E -EF 15 101B 1 76,-2.6 76,-2.6 -2,-0.4 2,-0.3 -0.816 7.3-159.5-109.9 152.9 11.3 3.5 -14.4 26 29 A V E -EF 14 100B 8 -12,-2.1 -12,-2.9 -2,-0.3 2,-0.4 -0.949 26.5-104.5-130.1 151.7 14.8 5.0 -14.2 27 30 A N E -E 13 0B 1 72,-1.5 70,-2.9 -2,-0.3 -14,-0.2 -0.636 25.6-174.8 -80.0 132.5 15.9 8.5 -13.5 28 31 A K S S+ 0 0 117 -16,-2.6 2,-0.3 -2,-0.4 -15,-0.2 0.617 71.7 48.1 -93.8 -22.6 17.2 10.5 -16.5 29 32 A T S S- 0 0 57 -17,-0.8 2,-0.3 66,-0.1 68,-0.1 -0.790 98.9 -89.7-118.9 159.7 18.3 13.5 -14.5 30 33 A T - 0 0 81 -2,-0.3 2,-0.6 66,-0.1 65,-0.2 -0.541 37.3-152.4 -71.1 133.2 20.3 13.9 -11.3 31 34 A I E -I 94 0C 22 63,-2.5 63,-2.5 -2,-0.3 2,-0.5 -0.935 8.9-148.6-108.6 120.8 18.1 13.8 -8.2 32 35 A L E -I 93 0C 85 -2,-0.6 2,-0.6 61,-0.2 61,-0.2 -0.777 7.2-162.1 -92.3 129.1 19.6 15.8 -5.2 33 36 A L E -I 92 0C 0 59,-2.9 59,-2.2 -2,-0.5 6,-0.1 -0.915 9.6-149.3-110.5 110.4 18.9 14.6 -1.7 34 37 A R > - 0 0 116 -2,-0.6 3,-0.9 57,-0.2 52,-0.3 -0.384 30.2-103.9 -64.6 148.5 19.5 17.2 1.0 35 38 A P T 3 S+ 0 0 30 0, 0.0 54,-0.1 0, 0.0 156,-0.1 -0.465 99.5 14.5 -75.3 152.6 20.6 15.7 4.3 36 39 A M T 3 S+ 0 0 41 52,-0.5 155,-0.9 153,-0.4 2,-0.3 0.542 112.1 91.7 69.5 11.7 18.1 15.5 7.2 37 40 A K S < S- 0 0 91 -3,-0.9 49,-0.5 153,-0.2 2,-0.3 -0.942 78.1-104.3-137.7 153.7 15.1 16.1 4.9 38 41 A T E - C 0 85A 25 129,-0.3 2,-0.5 -2,-0.3 47,-0.2 -0.574 24.4-159.1 -76.6 137.0 12.6 14.2 2.7 39 42 A T E - C 0 84A 15 45,-2.2 45,-3.3 -2,-0.3 2,-0.4 -0.983 10.6-166.6-111.3 126.2 13.0 14.0 -1.0 40 43 A T E - C 0 83A 48 -2,-0.5 2,-0.6 43,-0.2 43,-0.2 -0.895 10.2-152.0-112.9 141.5 9.9 13.1 -2.9 41 44 A V E - C 0 82A 17 41,-3.1 41,-2.5 -2,-0.4 2,-0.7 -0.960 9.1-148.1-112.7 114.2 9.8 12.1 -6.6 42 45 A D E - C 0 81A 88 -2,-0.6 39,-0.2 39,-0.2 -2,-0.0 -0.741 16.0-163.8 -77.8 111.8 6.5 13.0 -8.3 43 46 A L E - 0 0 0 37,-2.0 -34,-0.2 -2,-0.7 -1,-0.2 0.745 21.1-136.0 -82.5 -20.3 6.4 10.0 -10.8 44 47 A G E + 0 0 7 36,-0.4 -35,-2.2 1,-0.3 2,-0.4 0.756 65.6 132.8 65.9 25.3 3.8 11.2 -13.3 45 48 A L E +BC 8 80A 1 35,-0.5 35,-2.8 -37,-0.2 2,-0.3 -0.926 35.4 179.8-116.6 135.1 2.6 7.6 -12.9 46 49 A Y E +B 7 0A 20 -39,-2.3 -39,-2.4 -2,-0.4 2,-0.3 -0.977 10.3 172.1-132.3 137.8 -1.1 6.5 -12.4 47 50 A A E -B 6 0A 5 31,-0.4 -41,-0.2 -2,-0.3 8,-0.1 -0.998 23.2-158.4-153.9 150.5 -2.2 2.9 -12.0 48 51 A R E -B 5 0A 64 -43,-2.5 -43,-1.7 -2,-0.3 27,-0.1 -0.991 22.0-139.8-132.9 118.3 -5.2 0.8 -11.2 49 52 A P - 0 0 19 0, 0.0 -45,-0.1 0, 0.0 3,-0.1 -0.435 26.2-103.5 -76.1 149.2 -4.8 -2.8 -10.0 50 53 A P > - 0 0 11 0, 0.0 3,-1.7 0, 0.0 -46,-0.1 -0.237 59.5 -64.4 -63.6 165.9 -7.1 -5.7 -11.1 51 54 A E T 3 S+ 0 0 174 1,-0.2 3,-0.1 56,-0.0 0, 0.0 -0.171 123.7 19.9 -46.2 134.8 -9.7 -6.9 -8.7 52 55 A G T 3 S+ 0 0 29 1,-0.2 56,-1.4 -3,-0.1 2,-0.3 0.442 108.6 99.6 85.2 -0.1 -8.4 -8.6 -5.5 53 56 A H E < -G 107 0B 2 -3,-1.7 -1,-0.2 54,-0.2 54,-0.2 -0.860 50.3-164.0-120.5 150.6 -5.0 -6.9 -5.9 54 57 A G E -G 106 0B 0 52,-2.2 52,-1.9 -2,-0.3 2,-0.4 -0.661 28.6-114.7-111.0 178.4 -3.1 -3.9 -4.5 55 58 A L E -GH 105 72B 0 17,-1.8 17,-3.3 -2,-0.2 2,-0.5 -0.926 15.2-149.1-120.5 144.2 0.1 -2.4 -5.9 56 59 A M E -GH 104 71B 0 48,-3.0 48,-1.6 -2,-0.4 2,-0.5 -0.962 12.0-168.6-112.2 126.2 3.6 -2.3 -4.4 57 60 A L E +GH 103 70B 4 13,-2.6 13,-3.1 -2,-0.5 2,-0.3 -0.964 17.7 157.9-118.9 127.1 5.8 0.7 -5.3 58 61 A W E -G 102 0B 0 44,-2.4 44,-3.4 -2,-0.5 2,-0.3 -0.990 30.6-135.0-148.0 159.9 9.5 0.6 -4.4 59 62 A G E -G 101 0B 9 -2,-0.3 2,-0.4 42,-0.2 8,-0.3 -0.830 13.6-163.0-113.7 151.3 12.8 2.1 -5.2 60 63 A S E +G 100 0B 37 40,-2.6 40,-2.6 -2,-0.3 2,-0.3 -0.999 22.0 145.3-134.6 133.0 16.1 0.3 -5.7 61 64 A T - 0 0 32 -2,-0.4 4,-0.2 38,-0.2 38,-0.1 -0.942 45.9-141.5-161.5 149.4 19.6 1.9 -5.7 62 65 A S S S+ 0 0 114 36,-0.4 37,-0.1 -2,-0.3 -1,-0.0 0.456 78.9 99.5 -88.0 -0.9 23.1 1.1 -4.6 63 66 A R S S- 0 0 105 35,-0.3 2,-2.4 1,-0.1 -2,-0.1 -0.309 97.9 -92.6 -80.4 164.8 23.6 4.7 -3.4 64 67 A P S S+ 0 0 9 0, 0.0 23,-2.5 0, 0.0 24,-0.5 -0.333 89.0 115.9 -78.5 61.5 23.2 5.6 0.3 65 68 A V E -D 86 0A 10 -2,-2.4 2,-0.4 21,-0.2 21,-0.2 -0.976 50.3-156.3-128.9 140.6 19.5 6.4 -0.1 66 69 A T E -D 85 0A 49 19,-2.9 19,-2.5 -2,-0.4 2,-0.4 -0.970 11.7-155.5-118.8 132.4 16.5 4.5 1.5 67 70 A S E -D 84 0A 20 -2,-0.4 17,-0.2 -8,-0.3 -8,-0.1 -0.898 20.3-113.6-110.3 144.9 13.1 4.6 -0.0 68 71 A H - 0 0 17 15,-2.7 2,-0.7 -2,-0.4 15,-0.3 -0.382 28.8-128.9 -56.8 136.9 9.7 4.1 1.5 69 72 A V - 0 0 11 103,-0.3 2,-0.5 -11,-0.1 92,-0.3 -0.876 30.3-144.7 -92.6 115.4 8.0 0.9 0.2 70 73 A G E -H 57 0B 8 -13,-3.1 -13,-2.6 -2,-0.7 2,-0.6 -0.737 12.2-153.1 -92.5 128.3 4.6 2.2 -0.8 71 74 A I E -H 56 0B 18 -2,-0.5 2,-0.6 90,-0.3 -15,-0.2 -0.903 18.4-153.3 -93.8 120.5 1.3 0.2 -0.5 72 75 A I E -H 55 0B 18 -17,-3.3 -17,-1.8 -2,-0.6 8,-0.0 -0.844 9.2-135.9-103.5 116.2 -1.0 1.5 -3.2 73 76 A D > - 0 0 31 -2,-0.6 3,-2.1 -19,-0.2 49,-0.1 -0.451 17.5-120.0 -74.3 145.7 -4.7 1.1 -2.4 74 77 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 0.772 110.6 49.4 -60.4 -31.5 -7.0 -0.2 -5.1 75 78 A G T 3 S+ 0 0 67 46,-0.2 2,-0.6 -27,-0.1 47,-0.1 0.369 81.3 119.7 -86.8 4.0 -9.3 2.9 -5.3 76 79 A Y < + 0 0 100 -3,-2.1 -29,-0.3 1,-0.2 -4,-0.0 -0.598 26.6 163.5 -76.9 113.2 -6.3 5.3 -5.5 77 80 A T + 0 0 70 -2,-0.6 -1,-0.2 -31,-0.1 3,-0.1 0.267 43.8 99.1-112.0 8.8 -6.6 7.3 -8.7 78 81 A G S S- 0 0 28 1,-0.2 -31,-0.4 -31,-0.1 2,-0.2 -0.089 85.7 -67.6 -81.5-172.5 -4.1 10.1 -7.8 79 82 A E - 0 0 64 -33,-0.1 2,-0.3 168,-0.1 -33,-0.2 -0.512 47.6-122.9 -78.6 145.6 -0.5 10.4 -8.8 80 83 A L E -C 45 0A 5 -35,-2.8 -37,-2.0 -2,-0.2 -35,-0.5 -0.739 28.6-169.3 -88.7 139.5 2.1 8.0 -7.5 81 84 A R E -C 42 0A 109 -2,-0.3 2,-0.5 -39,-0.2 -39,-0.2 -0.976 16.9-141.6-129.1 146.2 5.1 9.4 -5.6 82 85 A L E -C 41 0A 1 -41,-2.5 -41,-3.1 -2,-0.4 2,-0.5 -0.909 16.9-150.4-106.5 130.2 8.3 7.8 -4.3 83 86 A I E -C 40 0A 6 -2,-0.5 -15,-2.7 -15,-0.3 2,-0.3 -0.897 18.2-170.7-107.3 121.0 9.5 9.0 -0.9 84 87 A L E -CD 39 67A 0 -45,-3.3 -45,-2.2 -2,-0.5 2,-0.4 -0.834 11.9-161.6-116.8 149.5 13.3 9.0 -0.4 85 88 A Q E -CD 38 66A 0 -19,-2.5 -19,-2.9 -2,-0.3 2,-0.5 -0.992 19.8-127.3-129.9 142.3 15.6 9.5 2.5 86 89 A N E - 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