==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-DEC-12 3ZF2 . COMPND 2 MOLECULE: DUTPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS PHAGE 80ALPHA; . AUTHOR M.A.TORMO-MAS,J.DONDERIS,M.GARCIA-CABALLER,A.ALT,I.MIR-SANCH . 155 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 28.4 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 0.6 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 . 29 18.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.6 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+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 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 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 . 1 2 4 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 T 0 0 176 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.4 45.5 -11.4 23.5 2 2 A N + 0 0 153 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.011 360.0 97.4 -89.3 100.2 44.9 -12.7 21.0 3 3 A T - 0 0 121 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.994 57.2-145.3-147.5 135.2 41.5 -11.0 21.5 4 4 A L - 0 0 47 -2,-0.3 2,-0.3 48,-0.1 48,-0.1 -0.914 20.5-133.4-105.1 126.6 40.0 -7.8 20.1 5 5 A Q - 0 0 141 -2,-0.5 46,-1.5 46,-0.5 2,-0.4 -0.610 19.8-164.8 -79.6 134.0 37.6 -5.9 22.3 6 6 A V E -A 50 0A 52 -2,-0.3 2,-0.5 44,-0.2 44,-0.2 -0.983 2.6-164.1-123.9 131.1 34.3 -4.7 20.7 7 7 A K E -A 49 0A 129 42,-3.6 42,-2.7 -2,-0.4 2,-0.5 -0.961 9.4-149.5-118.5 121.3 32.0 -2.1 22.2 8 8 A L E -A 48 0A 79 -2,-0.5 40,-0.2 40,-0.2 39,-0.1 -0.802 8.9-170.9 -89.8 126.3 28.4 -1.6 21.0 9 9 A L + 0 0 71 38,-3.3 2,-0.3 -2,-0.5 39,-0.1 0.559 64.5 9.4 -97.2 -11.8 27.3 2.1 21.4 10 10 A S S > S- 0 0 40 37,-0.5 3,-0.9 1,-0.0 -1,-0.1 -0.956 77.8 -99.2-156.0 172.6 23.6 1.7 20.6 11 11 A K T 3 S+ 0 0 201 -2,-0.3 36,-0.0 1,-0.2 -3,-0.0 0.590 118.7 63.1 -72.3 -12.2 20.8 -0.8 20.1 12 12 A N T 3 S+ 0 0 54 19,-0.1 -1,-0.2 2,-0.0 119,-0.1 0.639 84.3 98.2 -85.3 -18.3 21.2 -0.3 16.3 13 13 A A < - 0 0 15 -3,-0.9 2,-0.4 34,-0.2 34,-0.1 -0.351 58.7-156.9 -70.6 150.4 24.8 -1.7 16.4 14 14 A R - 0 0 105 32,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.985 24.1-105.8-132.3 143.2 25.5 -5.3 15.5 15 15 A M - 0 0 92 -2,-0.4 12,-0.1 1,-0.1 33,-0.0 -0.506 43.2-112.1 -68.0 124.0 28.4 -7.6 16.4 16 16 A P - 0 0 25 0, 0.0 2,-0.4 0, 0.0 12,-0.2 -0.212 33.3-140.7 -55.8 147.3 30.8 -8.0 13.4 17 17 A E B +B 27 0B 51 10,-0.8 10,-2.7 -3,-0.1 2,-0.5 -0.959 28.1 177.6-125.8 127.4 30.9 -11.5 11.9 18 18 A R + 0 0 120 -2,-0.4 8,-0.1 8,-0.2 5,-0.0 -0.814 20.0 167.5-119.6 85.5 33.7 -13.7 10.6 19 19 A N + 0 0 105 -2,-0.5 -1,-0.1 3,-0.0 2,-0.1 0.944 50.4 61.0 -70.6 -53.7 31.8 -16.9 9.7 20 20 A H S S- 0 0 118 1,-0.1 3,-0.1 2,-0.0 0, 0.0 -0.425 76.5-129.8 -79.9 151.2 34.3 -18.9 7.6 21 21 A K S S+ 0 0 200 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.848 109.5 45.8 -60.2 -37.6 37.6 -20.3 8.9 22 22 A T S S+ 0 0 131 2,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.674 83.5 117.8 -86.3 -20.7 39.4 -18.9 5.8 23 23 A D - 0 0 55 -3,-0.1 -5,-0.0 1,-0.1 3,-0.0 -0.166 51.1-155.1 -54.2 139.1 37.8 -15.4 5.8 24 24 A A + 0 0 80 114,-0.0 115,-0.4 2,-0.0 2,-0.2 0.774 66.7 30.1 -88.6 -30.8 40.2 -12.5 6.2 25 25 A G S S- 0 0 3 113,-0.1 2,-0.4 -8,-0.1 113,-0.2 -0.589 75.7-103.4-126.4-176.8 37.9 -9.8 7.6 26 26 A Y E - C 0 137B 78 111,-1.5 111,-2.1 -2,-0.2 -8,-0.2 -0.946 35.9-114.3-116.3 128.7 34.8 -9.1 9.7 27 27 A D E -BC 17 136B 13 -10,-2.7 -10,-0.8 -2,-0.4 2,-0.5 -0.404 30.4-152.5 -60.8 125.1 31.4 -8.1 8.2 28 28 A I E - C 0 135B 3 107,-3.2 106,-1.8 -2,-0.2 107,-1.8 -0.917 8.5-155.8-108.5 123.8 30.6 -4.5 9.2 29 29 A F E - C 0 133B 7 -2,-0.5 -15,-0.2 -15,-0.3 2,-0.2 -0.671 18.4-112.3 -99.3 149.8 26.9 -3.6 9.4 30 30 A S - 0 0 1 102,-1.8 101,-2.6 99,-0.3 16,-0.2 -0.559 14.5-160.9 -76.4 142.4 25.3 -0.2 9.2 31 31 A A S S+ 0 0 4 14,-2.2 2,-0.3 -2,-0.2 15,-0.2 0.292 72.6 48.8-103.3 6.0 23.6 1.3 12.3 32 32 A E S S- 0 0 67 13,-0.3 2,-0.6 97,-0.2 99,-0.1 -0.996 74.6-124.2-147.3 151.0 21.5 3.8 10.3 33 33 A T + 0 0 76 -2,-0.3 2,-0.4 97,-0.1 96,-0.2 -0.857 40.9 169.9 -92.8 121.4 19.2 4.0 7.4 34 34 A V E -F 128 0C 31 94,-1.9 94,-2.6 -2,-0.6 2,-0.6 -0.997 29.0-146.4-139.1 138.3 20.4 6.7 4.9 35 35 A V E -F 127 0C 62 -2,-0.4 2,-0.6 92,-0.2 92,-0.2 -0.927 16.9-165.5-105.6 116.3 19.5 7.7 1.4 36 36 A L E -F 126 0C 0 90,-2.4 90,-2.4 -2,-0.6 3,-0.1 -0.900 3.6-160.1-107.1 113.6 22.4 8.9 -0.8 37 37 A E > - 0 0 85 -2,-0.6 3,-1.9 88,-0.2 56,-0.3 -0.339 47.2 -55.6 -81.1 168.2 21.6 10.8 -4.0 38 38 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 56,-0.2 -0.130 123.9 2.1 -46.3 136.9 24.1 11.2 -6.9 39 39 A Q T 3 S+ 0 0 82 54,-2.0 2,-0.1 56,-0.7 55,-0.1 0.281 95.1 141.6 69.2 -7.9 27.5 12.7 -5.9 40 40 A E < - 0 0 71 -3,-1.9 53,-2.2 52,-0.1 2,-0.4 -0.398 36.9-153.4 -70.1 138.6 26.4 13.0 -2.2 41 41 A K E +I 92 0D 146 51,-0.2 2,-0.3 -2,-0.1 51,-0.2 -0.887 21.2 158.0-114.2 144.9 29.0 12.2 0.5 42 42 A A E -I 91 0D 28 49,-2.1 49,-2.3 -2,-0.4 2,-0.6 -0.983 39.7-128.4-156.8 161.6 28.5 10.9 4.0 43 43 A V E -I 90 0D 90 -2,-0.3 2,-0.3 47,-0.2 47,-0.2 -0.917 32.2-149.6-115.9 100.1 30.1 9.1 7.0 44 44 A I E -I 89 0D 1 45,-2.0 45,-2.9 -2,-0.6 2,-0.2 -0.560 12.7-129.8 -76.7 127.8 27.8 6.3 7.9 45 45 A K E -I 88 0D 112 -2,-0.3 -14,-2.2 43,-0.2 -13,-0.3 -0.538 22.5-176.1 -79.2 139.0 27.8 5.3 11.6 46 46 A T - 0 0 1 41,-1.5 -32,-0.4 -2,-0.2 -1,-0.1 0.569 30.5-139.6-102.8 -17.2 28.3 1.7 12.7 47 47 A D + 0 0 22 40,-0.3 -38,-3.3 1,-0.2 -37,-0.5 0.734 64.6 123.4 56.2 27.1 27.8 2.4 16.4 48 48 A V E -A 8 0A 4 39,-0.3 39,-2.2 -40,-0.2 2,-0.4 -0.945 43.7-167.1-118.2 135.3 30.7 -0.1 16.9 49 49 A A E -A 7 0A 4 -42,-2.7 -42,-3.6 -2,-0.4 2,-0.3 -0.982 4.5-170.0-125.0 136.4 33.9 0.7 18.7 50 50 A V E -A 6 0A 6 35,-0.4 2,-0.5 -2,-0.4 -44,-0.2 -0.889 20.6-144.3-124.7 155.5 37.1 -1.5 18.7 51 51 A S - 0 0 38 -46,-1.5 -46,-0.5 -2,-0.3 30,-0.1 -0.681 21.8-168.4-118.7 75.6 40.4 -1.5 20.7 52 52 A I - 0 0 3 -2,-0.5 31,-0.2 28,-0.4 3,-0.1 -0.461 22.0-125.8 -63.5 126.2 43.1 -2.5 18.2 53 53 A P > - 0 0 67 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.232 35.8 -79.2 -68.6 164.7 46.3 -3.3 20.0 54 54 A E T 3 S+ 0 0 178 1,-0.2 3,-0.1 27,-0.1 26,-0.0 -0.300 113.5 41.3 -63.6 148.2 49.7 -1.7 19.1 55 55 A G T 3 S+ 0 0 35 1,-0.3 87,-1.6 -3,-0.1 2,-0.3 0.607 103.9 84.1 86.4 14.9 51.6 -3.0 16.1 56 56 A Y E < -D 141 0B 107 -3,-0.7 2,-0.4 85,-0.3 -1,-0.3 -0.971 56.3-157.5-142.3 156.1 48.4 -3.4 14.0 57 57 A V E -D 140 0B 21 83,-2.3 83,-2.4 -2,-0.3 2,-0.5 -0.998 16.7-135.9-133.1 140.4 46.1 -1.3 11.8 58 58 A G E -DE 139 79B 0 21,-2.1 21,-3.3 -2,-0.4 2,-0.8 -0.827 9.8-151.6 -94.8 129.6 42.5 -2.0 10.9 59 59 A L E -DE 138 78B 51 79,-3.2 79,-2.1 -2,-0.5 2,-1.3 -0.857 4.5-165.0-102.4 99.3 41.4 -1.6 7.3 60 60 A L E +DE 137 77B 4 17,-2.2 17,-1.9 -2,-0.8 77,-0.2 -0.711 35.8 165.2 -82.4 93.2 37.7 -0.6 7.3 61 61 A T E -D 136 0B 29 75,-2.2 75,-2.1 -2,-1.3 14,-0.1 -0.569 36.4 -80.6-119.2 170.4 37.3 -1.3 3.6 62 62 A S E -D 135 0B 35 12,-0.4 2,-0.4 73,-0.2 -1,-0.2 -0.070 41.5-113.4 -65.2 165.6 34.7 -1.9 0.8 63 63 A R > - 0 0 64 71,-0.6 4,-2.4 1,-0.1 5,-0.3 -0.842 17.5-129.7-105.0 141.7 32.7 -5.1 0.2 64 64 A S H > S+ 0 0 99 -2,-0.4 4,-1.1 1,-0.2 5,-0.1 0.891 104.2 39.5 -57.6 -48.9 33.3 -7.1 -3.0 65 65 A G H > S+ 0 0 31 2,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.888 117.6 47.2 -71.0 -42.3 29.7 -7.5 -4.0 66 66 A V H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 6,-0.3 0.946 112.6 47.0 -66.7 -50.4 28.5 -4.0 -3.1 67 67 A S H < S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.786 115.0 47.1 -65.1 -30.0 31.3 -2.0 -4.7 68 68 A S H < S+ 0 0 91 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.847 119.1 38.0 -79.0 -36.2 31.1 -4.0 -8.0 69 69 A K H < S+ 0 0 112 -4,-1.6 2,-0.2 39,-0.2 -2,-0.2 0.815 117.4 43.8 -86.3 -34.3 27.3 -3.8 -8.3 70 70 A T S < S- 0 0 10 -4,-2.6 38,-0.1 -5,-0.2 56,-0.0 -0.670 76.7-121.1-113.0 165.4 26.6 -0.2 -7.1 71 71 A H S S+ 0 0 88 -2,-0.2 23,-2.8 53,-0.1 2,-0.6 0.283 72.9 124.6 -84.5 9.4 28.1 3.2 -7.5 72 72 A L E -J 93 0D 6 -6,-0.3 2,-0.6 21,-0.2 21,-0.2 -0.622 45.9-163.8 -74.8 115.3 28.7 3.4 -3.8 73 73 A V E -J 92 0D 67 19,-3.6 19,-2.1 -2,-0.6 2,-0.5 -0.907 5.2-164.0-109.9 117.0 32.4 4.0 -3.2 74 74 A I E -J 91 0D 17 -2,-0.6 2,-0.6 17,-0.2 -12,-0.4 -0.871 13.4-142.3 -98.9 124.7 33.9 3.4 0.2 75 75 A E - 0 0 112 15,-2.7 15,-0.5 -2,-0.5 2,-0.3 -0.792 30.4-113.8 -83.9 120.4 37.3 5.0 1.0 76 76 A T - 0 0 43 -2,-0.6 2,-0.3 13,-0.1 -15,-0.2 -0.394 32.6-147.2 -59.1 113.5 39.3 2.5 3.1 77 77 A G E -E 60 0B 24 -17,-1.9 -17,-2.2 -2,-0.3 2,-0.7 -0.663 6.0-134.5 -84.7 139.2 39.8 4.0 6.5 78 78 A K E -E 59 0B 124 -2,-0.3 2,-0.7 -19,-0.2 -19,-0.2 -0.854 19.5-152.5 -96.7 110.1 42.9 3.3 8.5 79 79 A I E -E 58 0B 18 -21,-3.3 -21,-2.1 -2,-0.7 4,-0.1 -0.754 11.7-142.1 -93.3 113.1 41.9 2.5 12.1 80 80 A D > - 0 0 107 -2,-0.7 3,-0.8 -23,-0.2 -28,-0.4 -0.190 21.0-118.0 -68.7 158.5 44.7 3.4 14.6 81 81 A A T 3 S+ 0 0 30 1,-0.3 2,-0.2 -25,-0.2 -1,-0.1 0.754 115.7 55.2 -63.1 -26.1 45.6 1.4 17.7 82 82 A G T 3 S+ 0 0 67 -29,-0.1 2,-0.4 -31,-0.1 -1,-0.3 -0.362 81.4 102.6-108.2 50.4 44.5 4.5 19.7 83 83 A Y < + 0 0 99 -3,-0.8 -31,-0.4 -31,-0.2 -33,-0.3 -0.921 27.2 158.1-132.4 110.1 41.0 5.0 18.3 84 84 A H + 0 0 113 -2,-0.4 3,-0.1 -35,-0.1 -1,-0.1 0.207 46.2 104.4-113.0 11.3 38.2 3.9 20.6 85 85 A G S S- 0 0 28 1,-0.2 -35,-0.4 -36,-0.1 2,-0.2 -0.120 84.8 -57.3 -84.2-176.7 35.4 6.0 19.0 86 86 A N - 0 0 43 -37,-0.1 2,-0.5 1,-0.1 -37,-0.2 -0.437 54.2-122.4 -65.5 128.9 32.6 5.2 16.7 87 87 A L - 0 0 2 -39,-2.2 -41,-1.5 -2,-0.2 2,-0.4 -0.643 31.2-163.2 -76.7 119.9 33.7 3.5 13.5 88 88 A G E -I 45 0D 30 -2,-0.5 2,-0.7 -43,-0.2 -43,-0.2 -0.887 15.2-134.9-110.6 136.6 32.5 5.6 10.5 89 89 A I E -I 44 0D 0 -45,-2.9 -45,-2.0 -2,-0.4 2,-0.9 -0.806 15.8-142.7 -93.3 112.5 32.2 4.4 6.9 90 90 A N E +I 43 0D 74 -2,-0.7 -15,-2.7 -15,-0.5 2,-0.3 -0.646 38.0 168.4 -77.0 104.2 33.6 7.0 4.5 91 91 A I E -IJ 42 74D 4 -49,-2.3 -49,-2.1 -2,-0.9 2,-0.4 -0.898 25.7-173.7-129.7 147.3 31.3 6.7 1.5 92 92 A K E -IJ 41 73D 57 -19,-2.1 -19,-3.6 -2,-0.3 2,-1.1 -0.998 27.2-133.2-136.3 136.4 30.4 8.5 -1.7 93 93 A N E - J 0 72D 0 -53,-2.2 -54,-2.0 -2,-0.4 -21,-0.2 -0.782 25.9-172.5 -81.2 98.6 27.6 7.8 -4.2 94 94 A D + 0 0 80 -23,-2.8 -1,-0.1 -2,-1.1 -22,-0.1 0.384 39.9 124.8 -80.7 4.2 29.8 8.1 -7.3 95 95 A H S S- 0 0 30 29,-0.2 -56,-0.7 -24,-0.1 -2,-0.1 -0.435 70.2-105.7 -65.0 136.7 26.8 7.9 -9.7 96 96 A E - 0 0 148 -58,-0.1 2,-1.2 -2,-0.1 -1,-0.1 -0.323 21.6-125.1 -66.5 144.1 26.7 10.9 -12.1 97 97 A D + 0 0 46 1,-0.2 -1,-0.1 2,-0.1 27,-0.1 -0.695 40.2 163.6 -92.1 83.7 24.2 13.6 -11.5 98 98 A D - 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