==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-OCT-04 1XSA . COMPND 2 MOLECULE: BIS(5'-NUCLEOSYL)-TETRAPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.D.SWARBRICK,S.BUYYA,D.GUNAWARDANA,K.R.GAYLER,A.G.MCLENNAN, . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 17.0 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 . 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 . 19 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.6 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 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 G > 0 0 91 0, 0.0 3,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.2 13.4 -17.3 -8.0 2 2 A P T 3 + 0 0 117 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.783 360.0 53.9 -72.4 -30.5 13.2 -17.5 -11.8 3 3 A L T 3 S- 0 0 66 1,-0.3 2,-0.2 48,-0.1 0, 0.0 0.329 130.8 -80.7 -87.1 10.2 12.4 -13.8 -12.1 4 4 A G < - 0 0 26 -3,-0.9 2,-0.6 47,-0.1 -1,-0.3 -0.674 68.8 -44.3 119.3-176.7 15.5 -13.0 -10.1 5 5 A S S S- 0 0 90 -2,-0.2 0, 0.0 -3,-0.1 0, 0.0 -0.791 101.5 -37.2 -94.1 123.5 16.2 -13.0 -6.3 6 6 A M S S- 0 0 156 -2,-0.6 2,-0.3 2,-0.0 -1,-0.0 0.359 85.9 -76.3 46.6 163.6 13.5 -11.4 -4.2 7 7 A A + 0 0 32 1,-0.2 87,-0.2 -3,-0.1 3,-0.1 -0.684 48.2 167.9 -93.5 146.8 11.6 -8.4 -5.5 8 8 A L + 0 0 107 -2,-0.3 87,-2.8 1,-0.3 2,-0.5 0.643 69.5 5.8-119.6 -68.1 13.2 -4.9 -5.5 9 9 A R E -a 95 0A 117 85,-0.2 41,-1.0 41,-0.2 -1,-0.3 -0.973 68.8-171.9-125.1 122.1 11.3 -2.4 -7.6 10 10 A A E -aB 96 49A 1 85,-6.0 87,-1.5 -2,-0.5 2,-0.3 -0.620 6.4-152.7-107.1 169.5 7.9 -3.5 -9.1 11 11 A C E +aB 97 48A 0 37,-2.2 37,-1.7 85,-0.3 2,-0.3 -1.000 15.8 168.4-143.8 144.7 5.8 -1.6 -11.6 12 12 A G E -aB 98 47A 0 85,-3.6 87,-1.4 -2,-0.3 2,-0.5 -0.896 31.5-110.4-145.9 176.3 2.0 -1.5 -12.4 13 13 A L E -a 99 0A 0 33,-1.0 2,-2.2 47,-0.3 87,-0.2 -0.939 18.5-134.8-117.0 124.2 -0.6 0.5 -14.3 14 14 A I E -a 100 0A 5 85,-3.9 87,-2.0 -2,-0.5 2,-0.4 -0.486 37.8-163.6 -70.8 88.0 -3.2 2.6 -12.6 15 15 A I E +a 101 0A 2 -2,-2.2 17,-2.3 17,-0.3 2,-0.3 -0.609 18.8 159.9 -80.7 134.8 -5.9 1.2 -14.9 16 16 A F E -aC 102 31A 0 85,-1.8 87,-1.0 -2,-0.4 2,-0.4 -0.996 27.0-148.0-150.2 152.1 -9.2 3.1 -15.0 17 17 A R E - C 0 30A 25 13,-1.9 13,-1.8 -2,-0.3 2,-0.5 -0.980 9.8-150.7-126.1 129.9 -12.1 3.4 -17.5 18 18 A R E - C 0 29A 65 -2,-0.4 11,-0.3 11,-0.3 10,-0.1 -0.831 12.9-150.8-101.7 134.1 -14.2 6.5 -18.0 19 19 A C - 0 0 12 9,-2.3 9,-0.1 -2,-0.5 10,-0.0 -0.300 38.1 -87.7 -92.1-179.2 -17.8 6.2 -19.1 20 20 A L S S- 0 0 171 1,-0.2 8,-0.1 -2,-0.1 -1,-0.1 0.920 101.2 -28.5 -56.3 -43.2 -19.9 8.6 -21.1 21 21 A I S S- 0 0 120 6,-0.1 -1,-0.2 7,-0.1 131,-0.0 -0.985 78.8 -73.1-167.0 163.2 -20.9 10.6 -18.0 22 22 A P - 0 0 78 0, 0.0 -4,-0.0 0, 0.0 -2,-0.0 -0.277 42.1-171.9 -62.9 146.3 -21.4 10.2 -14.2 23 23 A K - 0 0 142 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.606 62.8 -30.3-107.3 -98.3 -24.6 8.4 -13.1 24 24 A V S S- 0 0 125 3,-0.1 0, 0.0 0, 0.0 0, 0.0 0.842 119.4 -47.8 -94.0 -40.1 -25.7 8.2 -9.5 25 25 A D S S+ 0 0 76 2,-0.1 98,-0.0 0, 0.0 3,-0.0 0.233 111.3 103.1-177.5 7.8 -22.3 8.4 -7.8 26 26 A N S S- 0 0 69 97,-0.1 98,-0.1 99,-0.1 100,-0.0 0.577 76.2-142.9 -80.9 -6.6 -20.2 5.8 -9.7 27 27 A N - 0 0 63 1,-0.2 -3,-0.1 96,-0.1 -6,-0.1 0.482 23.6 -97.0 54.8 145.8 -18.5 8.7 -11.6 28 28 A A S S+ 0 0 16 -10,-0.1 -9,-2.3 -9,-0.1 2,-0.4 0.835 110.9 71.9 -64.8 -28.3 -17.7 8.1 -15.2 29 29 A I E +C 18 0A 13 -11,-0.3 95,-0.4 123,-0.1 2,-0.3 -0.739 64.7 173.8 -92.2 132.8 -14.1 7.2 -14.2 30 30 A E E -C 17 0A 22 -13,-1.8 -13,-1.9 -2,-0.4 2,-0.4 -0.935 24.1-128.8-133.5 158.1 -13.6 3.9 -12.5 31 31 A F E -CD 16 122A 1 91,-4.6 91,-2.5 -2,-0.3 2,-0.8 -0.855 12.4-138.0-110.2 145.2 -10.5 1.9 -11.3 32 32 A L E + D 0 121A 1 -17,-2.3 -17,-0.3 -2,-0.4 2,-0.3 -0.851 29.5 174.7-102.4 109.3 -9.7 -1.7 -12.1 33 33 A L E - D 0 120A 1 87,-1.3 87,-1.5 -2,-0.8 2,-0.4 -0.807 19.3-141.1-111.8 154.8 -8.4 -3.6 -9.0 34 34 A L E -ED 44 119A 0 10,-2.5 10,-2.1 -2,-0.3 2,-0.7 -0.937 1.3-148.6-118.6 138.6 -7.6 -7.3 -8.7 35 35 A Q E -E 43 0A 63 83,-1.9 82,-1.3 -2,-0.4 83,-0.4 -0.874 20.4-137.9-104.2 111.1 -8.2 -9.5 -5.7 36 36 A A E > - D 0 116A 9 6,-1.7 5,-0.5 -2,-0.7 6,-0.4 -0.506 19.2-175.0 -69.4 125.5 -5.5 -12.3 -5.5 37 37 A S T 5S+ 0 0 68 78,-0.5 -1,-0.2 -2,-0.3 79,-0.1 0.611 79.9 64.0 -95.5 -13.5 -7.2 -15.6 -4.6 38 38 A D T 5S+ 0 0 109 77,-0.8 -1,-0.2 2,-0.0 2,-0.1 0.314 110.3 38.0 -91.3 10.8 -3.8 -17.5 -4.4 39 39 A G T 5S- 0 0 38 -3,-0.3 -4,-0.0 76,-0.1 76,-0.0 -0.140 122.0 -53.9-128.6-134.4 -2.7 -15.3 -1.5 40 40 A I T 5S- 0 0 121 -2,-0.1 -3,-0.1 2,-0.0 -2,-0.0 0.373 84.1 -97.7 -96.3 5.8 -4.5 -13.7 1.6 41 41 A H < + 0 0 115 -5,-0.5 2,-0.3 1,-0.2 -4,-0.1 0.968 62.5 165.5 78.0 75.2 -7.1 -12.1 -0.7 42 42 A H - 0 0 53 -6,-0.4 -6,-1.7 2,-0.0 2,-0.4 -0.928 33.2-126.9-122.7 148.3 -6.0 -8.5 -1.1 43 43 A W E +E 35 0A 23 87,-0.6 -8,-0.2 -2,-0.3 76,-0.1 -0.784 45.0 138.0 -96.1 134.4 -7.2 -5.9 -3.7 44 44 A T E -E 34 0A 2 -10,-2.1 -10,-2.5 -2,-0.4 3,-0.1 -0.953 51.4 -95.7-168.3 150.0 -4.6 -4.2 -5.9 45 45 A P - 0 0 2 0, 0.0 2,-1.2 0, 0.0 -12,-0.1 -0.200 61.8 -75.3 -67.0 162.5 -4.1 -3.1 -9.5 46 46 A P S S+ 0 0 0 0, 0.0 -33,-1.0 0, 0.0 2,-0.4 -0.400 76.4 145.7 -61.8 92.9 -2.2 -5.4 -12.0 47 47 A K E -B 12 0A 21 -2,-1.2 2,-0.3 -35,-0.2 -35,-0.3 -0.995 21.8-178.8-134.5 137.1 1.4 -4.8 -10.9 48 48 A G E -B 11 0A 16 -37,-1.7 -37,-2.2 -2,-0.4 15,-0.1 -0.892 34.7 -90.5-131.8 163.8 4.3 -7.3 -10.8 49 49 A H E -B 10 0A 38 -2,-0.3 2,-0.6 -39,-0.2 -39,-0.2 -0.190 46.8-106.3 -66.1 164.5 8.0 -7.2 -9.8 50 50 A V - 0 0 12 -41,-1.0 -42,-0.2 4,-0.0 -41,-0.2 -0.831 29.1-139.4 -98.6 123.8 10.6 -6.2 -12.4 51 51 A E - 0 0 64 -2,-0.6 -47,-0.1 4,-0.2 -48,-0.1 -0.179 32.5 -99.8 -69.6 172.2 12.7 -9.1 -13.8 52 52 A P S S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -48,-0.1 0.256 121.2 37.2 -78.8 14.7 16.5 -8.5 -14.4 53 53 A G S S+ 0 0 70 2,-0.1 2,-0.1 0, 0.0 -3,-0.0 0.520 99.9 78.6-137.1 -23.9 15.8 -7.9 -18.1 54 54 A E S S- 0 0 45 1,-0.1 2,-0.2 2,-0.0 3,-0.0 -0.295 77.0-111.1 -85.0 176.0 12.4 -6.1 -18.4 55 55 A D > - 0 0 85 1,-0.1 4,-1.6 -2,-0.1 -4,-0.2 -0.495 26.3-107.1-100.2 173.6 11.9 -2.3 -17.9 56 56 A D H > S+ 0 0 35 2,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.996 119.6 29.7 -66.3 -61.1 9.9 -0.6 -15.1 57 57 A L H > S+ 0 0 41 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.933 117.7 58.1 -65.9 -41.6 6.9 0.4 -17.2 58 58 A E H > S+ 0 0 109 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.916 106.4 51.0 -55.1 -35.9 7.3 -2.6 -19.5 59 59 A T H X S+ 0 0 1 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.935 109.8 48.2 -66.5 -42.6 7.0 -4.6 -16.2 60 60 A A H X S+ 0 0 0 -4,-1.9 4,-3.6 1,-0.2 -47,-0.3 0.949 113.1 47.9 -63.2 -42.8 3.8 -2.6 -15.4 61 61 A L H X S+ 0 0 34 -4,-3.8 4,-2.7 2,-0.2 5,-0.3 0.906 110.8 53.1 -63.6 -36.7 2.5 -3.3 -18.9 62 62 A R H X S+ 0 0 89 -4,-2.7 4,-3.2 -5,-0.3 5,-0.3 0.963 114.9 38.7 -63.5 -49.6 3.5 -7.0 -18.4 63 63 A A H X>S+ 0 0 4 -4,-3.1 4,-2.7 2,-0.2 5,-1.2 0.933 113.6 56.5 -68.0 -41.3 1.5 -7.2 -15.1 64 64 A T H X>S+ 0 0 0 -4,-3.6 6,-2.2 -5,-0.3 4,-0.8 0.954 118.1 33.9 -54.3 -47.8 -1.3 -5.1 -16.6 65 65 A Q H <5S+ 0 0 90 -4,-2.7 -1,-0.2 4,-0.3 -2,-0.2 0.853 131.1 35.3 -75.9 -35.8 -1.5 -7.6 -19.4 66 66 A E H <5S+ 0 0 80 -4,-3.2 47,-2.0 -5,-0.3 -3,-0.2 0.941 121.4 40.9 -85.3 -54.8 -0.7 -10.6 -17.2 67 67 A E H <5S+ 0 0 9 -4,-2.7 -3,-0.2 -5,-0.3 49,-0.2 0.864 139.7 13.7 -65.6 -32.7 -2.3 -9.8 -13.9 68 68 A A T < - 0 0 93 -2,-0.6 3,-1.0 -6,-0.2 4,-0.3 -0.451 26.0-116.0 -83.8 161.0 -2.5 -5.4 -23.2 72 72 A A G > S+ 0 0 38 1,-0.2 3,-1.6 2,-0.2 -1,-0.1 0.817 109.8 75.6 -66.3 -26.2 -1.1 -1.9 -23.7 73 73 A G G 3 S+ 0 0 60 1,-0.3 -1,-0.2 3,-0.1 -3,-0.0 0.875 103.7 36.9 -54.3 -35.4 -2.6 -2.0 -27.3 74 74 A Q G < S+ 0 0 24 -3,-1.0 30,-1.9 29,-0.1 31,-0.6 0.432 113.8 72.8 -97.4 2.8 -6.0 -1.4 -25.7 75 75 A L E < -F 103 0A 9 -3,-1.6 2,-0.6 -4,-0.3 28,-0.2 -0.895 67.1-149.1-116.9 148.3 -4.6 1.0 -23.0 76 76 A T E -F 102 0A 68 26,-1.2 2,-1.7 -2,-0.4 26,-0.7 -0.930 18.3-135.5-115.6 112.6 -3.4 4.5 -23.4 77 77 A I E +F 101 0A 42 -2,-0.6 24,-0.3 1,-0.2 3,-0.2 -0.448 25.2 179.7 -67.8 92.5 -0.6 5.5 -20.9 78 78 A I + 0 0 22 -2,-1.7 2,-0.4 22,-1.0 -1,-0.2 0.858 13.6 173.7 -62.3 -32.6 -1.9 8.9 -19.9 79 79 A E + 0 0 106 21,-1.2 2,-4.7 -3,-0.2 -1,-0.2 -0.412 31.1 125.5 61.0-116.1 1.1 9.2 -17.7 80 80 A G S S+ 0 0 53 -2,-0.4 2,-0.5 -3,-0.2 -1,-0.2 -0.200 80.2 39.7 61.7 -64.5 0.8 12.8 -16.4 81 81 A F S S+ 0 0 64 -2,-4.7 19,-0.4 62,-0.1 2,-0.3 -0.949 73.6 129.4-118.9 130.7 1.0 11.4 -12.8 82 82 A K + 0 0 71 -2,-0.5 2,-0.3 17,-0.1 17,-0.1 -0.868 15.5 161.6-173.8 138.3 3.2 8.5 -11.7 83 83 A R - 0 0 164 15,-0.5 2,-1.6 -2,-0.3 15,-1.5 -0.935 54.7 -75.9-151.8 172.6 5.7 7.9 -8.9 84 84 A E E -G 97 0A 94 -2,-0.3 13,-0.3 13,-0.2 2,-0.1 -0.570 49.7-150.1 -78.9 93.1 7.4 4.9 -7.3 85 85 A L E -G 96 0A 12 11,-1.8 11,-3.0 -2,-1.6 2,-0.5 -0.418 17.8-170.1 -62.0 127.9 4.5 3.7 -5.1 86 86 A N E +G 95 0A 71 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.967 15.6 154.3-129.8 124.7 6.1 2.1 -2.0 87 87 A Y - 0 0 39 6,-0.9 4,-0.1 7,-0.9 46,-0.0 -0.962 35.5-149.9-141.9 158.5 4.2 0.1 0.6 88 88 A V >> - 0 0 72 -2,-0.3 4,-2.9 1,-0.2 3,-1.7 0.404 25.9-177.2-110.1 0.9 5.2 -2.7 3.0 89 89 A A T 34 S- 0 0 59 1,-0.3 -1,-0.2 2,-0.2 0, 0.0 -0.061 82.4 -3.7 36.6-121.8 1.8 -4.5 3.1 90 90 A R T 34 S- 0 0 214 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.907 138.8 -56.3 -62.8 -37.2 2.4 -7.2 5.7 91 91 A N T <4 S+ 0 0 139 -3,-1.7 -2,-0.2 1,-0.1 -1,-0.1 0.296 104.3 114.1 165.2 30.8 6.0 -6.1 5.9 92 92 A K < - 0 0 123 -4,-2.9 -5,-0.2 1,-0.2 -2,-0.1 -0.818 40.4-170.0-122.9 93.3 7.6 -6.2 2.4 93 93 A P + 0 0 81 0, 0.0 -6,-0.9 0, 0.0 -1,-0.2 0.946 21.3 159.5 -44.3 -79.0 8.5 -2.6 1.2 94 94 A K - 0 0 36 -87,-0.2 -7,-0.9 -8,-0.1 -85,-0.2 0.753 47.3-107.1 54.4 119.1 9.4 -3.4 -2.5 95 95 A T E -aG 9 86A 39 -87,-2.8 -85,-6.0 -9,-0.2 2,-0.4 -0.512 37.1-166.5 -77.4 144.9 9.2 -0.2 -4.6 96 96 A V E -aG 10 85A 0 -11,-3.0 -11,-1.8 -87,-0.2 2,-0.4 -0.994 9.5-151.1-133.3 137.3 6.2 -0.0 -7.0 97 97 A I E -aG 11 84A 4 -87,-1.5 -85,-3.6 -2,-0.4 2,-0.5 -0.872 11.0-161.4-108.9 139.8 5.6 2.3 -9.9 98 98 A Y E -a 12 0A 6 -15,-1.5 -15,-0.5 -2,-0.4 2,-0.3 -0.966 7.1-175.2-126.0 124.5 2.1 3.3 -11.0 99 99 A W E -a 13 0A 23 -87,-1.4 -85,-3.9 -2,-0.5 2,-0.3 -0.813 29.0-112.1-113.3 156.5 1.1 4.8 -14.4 100 100 A L E +a 14 0A 2 -19,-0.4 -21,-1.2 -2,-0.3 -22,-1.0 -0.670 40.7 172.2 -87.2 139.0 -2.3 6.1 -15.6 101 101 A A E -aF 15 77A 0 -87,-2.0 -85,-1.8 -2,-0.3 2,-0.4 -0.998 19.1-155.9-145.8 148.9 -4.0 4.1 -18.3 102 102 A E E -aF 16 76A 26 -26,-0.7 -26,-1.2 -2,-0.3 2,-0.9 -0.985 18.2-132.6-128.6 132.7 -7.4 4.1 -20.0 103 103 A V E - F 0 75A 4 -87,-1.0 -28,-0.2 -2,-0.4 -85,-0.2 -0.702 10.5-165.7 -85.3 110.3 -9.1 1.1 -21.7 104 104 A K S S+ 0 0 106 -30,-1.9 2,-0.9 -2,-0.9 -1,-0.2 0.656 79.2 78.8 -68.5 -7.8 -10.4 2.4 -25.0 105 105 A D > - 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