==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-NOV-07 2VHT . COMPND 2 MOLECULE: NTPASE P4; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PHAGE PHI12; . AUTHOR D.E.KAINOV,E.J.MANCINI,J.TELENIUS,J.LISAL,J.M.GRIMES, . 912 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 631 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 3 0.3 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 . 87 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 6 0 0 0 0 0 3 0 3 3 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 9 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 PARALLEL BRIDGES PER LADDER . 6 6 8 6 6 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 ANTIPARALLEL BRIDGES PER LADDER . 6 3 3 0 0 0 1 2 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 78 0, 0.0 463,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 164.1 63.0 30.2 32.7 2 2 A I - 0 0 11 461,-0.1 2,-0.4 480,-0.1 461,-0.2 -0.481 360.0-150.5 -75.9 149.3 60.7 32.4 34.8 3 3 A H E -A 462 0A 20 459,-1.5 459,-2.4 -2,-0.1 2,-0.4 -0.956 1.7-144.3-125.1 144.0 62.1 34.1 37.9 4 4 A L E +A 461 0A 69 -2,-0.4 2,-0.3 457,-0.2 457,-0.2 -0.879 22.8 179.7-110.5 135.5 60.3 35.2 41.1 5 5 A Y E -A 460 0A 13 455,-1.9 455,-2.1 -2,-0.4 2,-0.3 -0.936 19.2-174.3-134.2 153.5 61.1 38.3 43.1 6 6 A D > - 0 0 52 -2,-0.3 4,-2.8 453,-0.2 5,-0.3 -0.778 55.0 -83.7-124.0-179.6 60.2 40.4 46.1 7 7 A A H > S+ 0 0 53 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.913 128.3 43.6 -47.6 -51.3 61.7 43.8 47.1 8 8 A K H > S+ 0 0 175 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.953 116.4 42.8 -65.2 -54.0 64.7 42.2 48.8 9 9 A S H > S+ 0 0 32 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.833 115.5 50.9 -66.3 -33.7 65.6 39.5 46.2 10 10 A F H >X S+ 0 0 15 -4,-2.8 4,-2.1 2,-0.2 3,-0.5 0.918 105.1 57.3 -63.0 -46.0 65.0 42.0 43.3 11 11 A A H 3X S+ 0 0 44 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.825 108.4 46.3 -56.6 -34.7 67.3 44.6 45.1 12 12 A K H 3X S+ 0 0 152 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.703 105.2 58.9 -87.6 -18.8 70.2 42.1 45.1 13 13 A L H X S+ 0 0 94 -4,-3.0 4,-3.1 1,-0.2 3,-1.1 0.940 110.7 50.1 -59.1 -49.3 75.5 46.4 38.3 19 19 A A H 3X>S+ 0 0 26 -4,-1.7 5,-2.9 -5,-0.2 4,-1.3 0.826 99.1 67.2 -55.7 -38.3 78.6 44.5 39.5 20 20 A A H 3<5S+ 0 0 5 -4,-1.8 92,-1.9 1,-0.2 -1,-0.2 0.774 118.7 20.3 -57.8 -31.3 78.5 42.4 36.3 21 21 A F H <<5S+ 0 0 1 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.794 130.3 40.2-102.8 -44.9 79.5 45.4 34.3 22 22 A H H <5S+ 0 0 49 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.839 129.2 12.5 -81.3 -34.9 81.0 48.0 36.7 23 23 A T T <5S+ 0 0 96 -4,-1.3 -3,-0.2 -5,-0.3 -4,-0.1 0.733 91.5 102.6-119.6 -32.0 83.2 45.9 39.0 24 24 A D S - 0 0 60 1,-0.1 3,-2.1 2,-0.1 4,-0.3 -0.384 53.2-100.4 -61.2 131.2 87.1 41.6 36.2 26 26 A P T 3 S+ 0 0 54 0, 0.0 87,-0.2 0, 0.0 -1,-0.1 -0.348 106.0 10.1 -56.0 129.7 86.9 42.3 32.4 27 27 A G T 3> S+ 0 0 8 85,-1.8 4,-1.3 87,-0.1 86,-0.1 0.408 93.8 117.6 84.9 0.8 86.4 39.1 30.4 28 28 A S H <> + 0 0 42 -3,-2.1 4,-1.8 1,-0.2 5,-0.1 0.801 68.2 55.5 -75.9 -30.0 85.8 37.0 33.5 29 29 A W H > S+ 0 0 35 83,-0.5 4,-2.2 -4,-0.3 -1,-0.2 0.918 105.3 53.2 -67.9 -41.7 82.2 36.0 32.6 30 30 A F H > S+ 0 0 22 186,-0.4 4,-1.5 1,-0.2 -2,-0.2 0.886 108.8 51.2 -55.2 -41.8 83.4 34.6 29.3 31 31 A D H X S+ 0 0 113 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.893 108.6 50.8 -62.2 -42.7 85.9 32.5 31.3 32 32 A H H X S+ 0 0 97 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.873 110.8 47.9 -64.5 -39.4 83.2 31.2 33.6 33 33 A T H X S+ 0 0 0 -4,-2.2 4,-1.8 182,-0.3 -1,-0.2 0.733 104.3 59.5 -79.5 -22.8 81.0 30.2 30.7 34 34 A S H X S+ 0 0 25 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.891 106.0 50.4 -64.6 -39.6 83.8 28.4 28.9 35 35 A G H X S+ 0 0 37 -4,-1.4 4,-0.8 2,-0.2 -2,-0.2 0.835 109.5 49.7 -65.1 -35.4 84.1 26.3 32.0 36 36 A V H < S+ 0 0 37 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.818 112.1 48.2 -73.6 -34.0 80.4 25.5 32.0 37 37 A L H >< S+ 0 0 8 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.854 108.7 54.0 -72.2 -36.1 80.6 24.6 28.3 38 38 A E H 3< S+ 0 0 148 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.697 101.2 60.5 -71.4 -19.6 83.7 22.3 29.0 39 39 A S T 3< S+ 0 0 83 -4,-0.8 2,-0.4 -5,-0.1 -1,-0.3 0.170 83.0 103.0 -94.4 16.0 81.7 20.5 31.7 40 40 A V S < S- 0 0 15 -3,-1.2 3,-0.1 4,-0.1 21,-0.1 -0.854 82.7-108.4 -97.3 135.1 79.1 19.4 29.1 41 41 A E > - 0 0 133 -2,-0.4 3,-1.6 1,-0.1 20,-0.2 -0.353 45.1 -94.6 -60.1 137.3 79.3 15.7 27.9 42 42 A D T 3 S+ 0 0 122 1,-0.2 -1,-0.1 -4,-0.1 -4,-0.0 -0.160 110.1 26.2 -52.4 145.9 80.5 15.4 24.3 43 43 A G T 3 S+ 0 0 34 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 -0.002 87.2 126.4 88.4 -31.0 77.7 15.2 21.8 44 44 A T < - 0 0 30 -3,-1.6 17,-0.4 1,-0.1 -1,-0.3 -0.458 68.0-112.7 -62.1 127.4 75.2 17.1 24.0 45 45 A P + 0 0 4 0, 0.0 15,-0.2 0, 0.0 3,-0.1 -0.440 42.3 166.0 -62.5 130.3 73.7 20.1 22.1 46 46 A V + 0 0 0 13,-2.9 53,-1.9 1,-0.3 54,-0.8 0.620 61.6 30.9-118.8 -26.5 74.7 23.5 23.5 47 47 A L E -IJ 59 98B 0 12,-1.3 12,-2.5 51,-0.3 2,-0.4 -0.997 54.7-172.1-143.6 132.5 73.7 26.0 20.8 48 48 A A E -IJ 58 97B 0 49,-2.3 49,-2.9 -2,-0.4 2,-0.3 -0.992 11.7-178.5-125.7 130.5 71.0 26.2 18.2 49 49 A I E -I 57 0B 3 8,-2.8 8,-3.2 -2,-0.4 2,-0.3 -0.964 28.8-105.1-133.6 146.8 70.8 28.8 15.5 50 50 A G E -I 56 0B 3 -2,-0.3 6,-0.3 6,-0.2 2,-0.1 -0.503 27.6-156.1 -75.9 126.5 68.4 29.6 12.7 51 51 A V > - 0 0 6 4,-3.1 3,-1.2 -2,-0.3 152,-0.1 -0.327 44.6 -79.7 -85.4-179.5 69.2 28.9 9.1 52 52 A E T 3 S+ 0 0 99 1,-0.3 148,-1.6 148,-0.2 147,-0.5 0.807 128.5 49.3 -54.9 -39.9 67.7 30.7 6.1 53 53 A S T 3 S- 0 0 63 146,-0.2 -1,-0.3 147,-0.1 3,-0.1 0.777 119.1-103.4 -70.6 -27.4 64.4 28.7 6.1 54 54 A G S < S+ 0 0 12 -3,-1.2 -2,-0.1 1,-0.6 -1,-0.1 0.137 84.8 125.4 112.2 -15.9 63.7 29.2 9.9 55 55 A D - 0 0 87 -5,-0.1 -4,-3.1 1,-0.1 -1,-0.6 -0.331 59.3-123.6 -59.8 157.1 64.8 25.6 10.7 56 56 A A E -I 50 0B 9 35,-0.3 35,-2.2 -6,-0.3 2,-0.3 -0.881 13.4-150.5-113.0 140.8 67.6 25.5 13.3 57 57 A I E -I 49 0B 1 -8,-3.2 -8,-2.8 -2,-0.4 2,-0.3 -0.835 19.1-146.9-103.1 152.4 71.0 24.0 13.2 58 58 A V E -I 48 0B 0 8,-0.4 8,-2.5 -2,-0.3 2,-0.3 -0.900 11.2-165.8-127.8 147.3 72.7 22.7 16.4 59 59 A F E -IK 47 65B 0 -12,-2.5 -13,-2.9 -2,-0.3 -12,-1.3 -0.883 12.9-135.5-130.4 156.0 76.2 22.4 17.8 60 60 A D > - 0 0 13 4,-1.7 3,-1.8 -2,-0.3 -18,-0.1 -0.370 49.1 -82.7 -94.9-175.9 78.2 20.7 20.5 61 61 A K T 3 S+ 0 0 41 -17,-0.4 -19,-0.1 1,-0.3 -24,-0.1 0.731 129.6 54.0 -62.5 -23.2 80.8 22.3 22.8 62 62 A N T 3 S- 0 0 83 2,-0.1 -1,-0.3 -24,-0.0 3,-0.1 0.189 119.9-106.8 -96.4 16.0 83.5 21.8 20.1 63 63 A A S < S+ 0 0 1 -3,-1.8 2,-0.5 1,-0.2 -2,-0.1 0.775 70.9 148.7 60.8 29.9 81.5 23.7 17.5 64 64 A Q - 0 0 122 114,-0.0 -4,-1.7 1,-0.0 -1,-0.2 -0.821 50.9-118.4 -92.3 130.9 80.7 20.4 15.7 65 65 A R B -K 59 0B 112 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.498 25.3-133.1 -71.0 133.0 77.3 20.3 13.9 66 66 A I + 0 0 17 -8,-2.5 -8,-0.4 -2,-0.2 3,-0.1 -0.738 25.0 177.9 -90.3 133.3 75.0 17.6 15.3 67 67 A V + 0 0 97 -2,-0.4 22,-2.9 1,-0.3 23,-0.3 0.753 69.7 16.4-104.9 -33.8 73.3 15.4 12.7 68 68 A A + 0 0 77 19,-0.2 -1,-0.3 20,-0.2 2,-0.3 -0.966 60.6 163.4-147.8 127.1 71.3 12.9 14.9 69 69 A Y E -L 86 0C 55 17,-3.3 17,-1.4 -2,-0.3 3,-0.1 -0.913 32.1-129.1-149.7 114.9 70.4 13.2 18.6 70 70 A K E - 0 0 195 -2,-0.3 14,-0.1 15,-0.2 17,-0.0 -0.335 47.5 -77.7 -68.6 145.2 67.7 11.1 20.3 71 71 A E E + 0 0 110 14,-0.1 2,-0.4 12,-0.1 14,-0.2 -0.129 55.3 177.8 -49.2 121.2 65.1 12.9 22.4 72 72 A K E -L 84 0C 105 12,-1.9 12,-2.4 -3,-0.1 2,-0.4 -0.981 8.0-164.4-126.4 139.8 66.5 14.0 25.8 73 73 A S E -L 83 0C 53 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.988 3.1-165.9-132.6 130.0 64.6 16.0 28.4 74 74 A V E -L 82 0C 76 8,-2.1 8,-1.3 -2,-0.4 2,-0.6 -0.711 20.9-129.3-103.9 158.7 65.8 17.8 31.5 75 75 A K E -L 81 0C 159 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.939 27.3-152.1-109.3 107.6 63.8 19.2 34.4 76 76 A A > - 0 0 40 4,-3.0 3,-1.4 -2,-0.6 0, 0.0 -0.098 31.5 -94.8 -70.9 174.7 64.6 22.9 35.1 77 77 A E T 3 S+ 0 0 172 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.804 121.9 51.8 -66.8 -32.3 64.3 24.5 38.5 78 78 A D T 3 S- 0 0 34 2,-0.1 -1,-0.3 -76,-0.0 3,-0.1 0.199 124.5 -97.3 -89.7 14.8 60.8 26.0 37.9 79 79 A G S < S+ 0 0 25 -3,-1.4 -2,-0.1 1,-0.3 -3,-0.0 0.117 80.4 141.8 90.6 -19.3 59.4 22.6 36.9 80 80 A S - 0 0 16 -5,-0.1 -4,-3.0 1,-0.1 2,-0.6 -0.232 45.6-137.5 -61.3 139.6 59.8 23.4 33.2 81 81 A V E -L 75 0C 60 -6,-0.2 2,-0.6 -3,-0.1 -6,-0.2 -0.892 9.2-156.3-105.6 119.0 60.9 20.6 30.9 82 82 A S E -L 74 0C 37 -8,-1.3 -8,-2.1 -2,-0.6 2,-0.5 -0.847 11.6-164.2 -93.8 122.9 63.5 21.4 28.2 83 83 A V E -L 73 0C 30 -2,-0.6 2,-0.4 -10,-0.2 -10,-0.2 -0.923 6.1-173.9-112.3 125.6 63.3 18.9 25.3 84 84 A V E +L 72 0C 14 -12,-2.4 -12,-1.9 -2,-0.5 2,-0.3 -0.975 11.3 159.0-124.4 135.0 66.2 18.6 22.7 85 85 A Q E - M 0 93C 25 8,-1.6 7,-3.5 -2,-0.4 8,-1.3 -0.930 17.7-167.1-156.8 126.4 66.2 16.5 19.5 86 86 A V E +LM 69 91C 4 -17,-1.4 -17,-3.3 -2,-0.3 2,-0.4 -0.965 13.0 176.5-115.8 131.6 68.2 16.6 16.3 87 87 A E E > - M 0 90C 106 3,-3.2 3,-1.8 -2,-0.4 -19,-0.2 -0.997 65.7 -10.6-139.6 131.8 67.2 14.6 13.3 88 88 A N T 3 S- 0 0 148 -2,-0.4 -20,-0.2 1,-0.3 -1,-0.1 0.862 129.5 -50.9 45.3 45.5 68.7 14.5 9.8 89 89 A G T 3 S+ 0 0 7 -22,-2.9 2,-0.3 1,-0.2 -31,-0.3 0.418 122.3 88.0 82.7 -0.5 71.0 17.5 10.6 90 90 A F E < S-M 87 0C 74 -3,-1.8 -3,-3.2 -23,-0.3 2,-0.2 -0.919 83.1 -98.2-129.1 155.0 68.2 19.8 11.9 91 91 A M E +M 86 0C 29 -35,-2.2 -35,-0.3 -2,-0.3 -5,-0.3 -0.499 32.2 177.4 -68.3 134.7 66.5 20.5 15.2 92 92 A K E S+ 0 0 126 -7,-3.5 2,-0.4 1,-0.4 -6,-0.2 0.702 72.1 19.5-108.5 -35.5 63.2 18.7 15.7 93 93 A Q E S+M 85 0C 60 -8,-1.3 -8,-1.6 2,-0.1 -1,-0.4 -0.999 99.6 43.6-134.1 138.1 62.4 19.8 19.2 94 94 A G S S- 0 0 40 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.1 -0.956 70.4 -65.4 140.1-153.0 63.8 22.7 21.2 95 95 A H - 0 0 33 -2,-0.3 2,-0.2 2,-0.1 -47,-0.1 -0.983 36.8-103.4-143.6 152.3 64.6 26.4 21.0 96 96 A R S S+ 0 0 14 -2,-0.3 378,-0.4 -49,-0.1 379,-0.3 -0.526 87.4 35.7 -70.8 140.8 67.0 28.8 19.3 97 97 A G E S-J 48 0B 7 -49,-2.9 -49,-2.3 -2,-0.2 2,-0.6 -0.793 109.4 -3.9 112.4-159.1 69.8 30.0 21.7 98 98 A W E -J 47 0B 26 -2,-0.3 -51,-0.3 -51,-0.2 4,-0.1 -0.608 47.0-164.5 -80.4 118.3 71.8 28.2 24.4 99 99 A L S S+ 0 0 19 -53,-1.9 2,-0.3 -2,-0.6 -52,-0.2 0.376 77.6 58.3 -82.7 2.9 70.5 24.7 25.0 100 100 A V S S- 0 0 33 -54,-0.8 2,-0.7 -60,-0.0 -63,-0.0 -0.936 96.4-103.7-128.0 155.7 72.4 24.7 28.2 101 101 A D + 0 0 89 -2,-0.3 -2,-0.1 1,-0.2 -55,-0.0 -0.704 46.2 157.3 -83.3 113.5 72.1 27.0 31.2 102 102 A L S S+ 0 0 9 -2,-0.7 -1,-0.2 2,-0.1 4,-0.1 0.722 76.2 39.3 -97.9 -32.3 75.0 29.5 31.2 103 103 A T S > S+ 0 0 17 1,-0.2 3,-2.5 2,-0.1 2,-0.3 0.716 72.8 176.9 -96.9 -25.2 73.4 32.2 33.3 104 104 A G T 3 S- 0 0 27 1,-0.3 -1,-0.2 367,-0.0 -2,-0.1 -0.378 79.0 -16.7 54.9-110.9 71.4 30.4 35.9 105 105 A E T 3 S+ 0 0 132 -2,-0.3 2,-1.4 1,-0.1 -1,-0.3 0.533 118.8 91.2-101.2 -10.4 69.9 33.1 38.1 106 106 A L < + 0 0 53 -3,-2.5 2,-0.3 -4,-0.1 3,-0.2 -0.669 59.4 150.0 -91.3 84.6 72.2 35.9 36.9 107 107 A V + 0 0 5 -2,-1.4 364,-0.2 1,-0.2 363,-0.1 -0.777 41.2 40.8-117.6 159.4 70.1 37.3 34.1 108 108 A G S S+ 0 0 0 362,-3.8 157,-3.1 -2,-0.3 2,-0.2 0.763 81.9 139.1 78.0 28.4 69.7 40.7 32.4 109 109 A C B -N 264 0D 2 361,-0.3 361,-2.5 -3,-0.2 -1,-0.2 -0.620 53.6-149.7-100.5 158.8 73.4 41.5 32.6 110 110 A S - 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