==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-OCT-11 3U53 . COMPND 2 MOLECULE: BIS(5'-NUCLEOSYL)-TETRAPHOSPHATASE [ASYMMETRICAL] . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.H.GE,M.K.TENG . 576 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 21.7 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 . 4 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 . 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 . 60 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 4 0 0 0 0 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 4 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 . 0 4 10 0 1 3 2 0 0 0 2 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 2 2 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 R 0 0 139 0, 0.0 41,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 123.4 10.3 10.4 -23.3 2 5 A A E -Ab 41 88A 10 85,-2.8 87,-2.0 39,-0.2 2,-0.3 -0.916 360.0-159.9-129.3 152.9 10.7 6.6 -23.2 3 6 A C E +Ab 40 89A 0 37,-2.7 37,-1.6 -2,-0.3 2,-0.3 -0.958 18.5 154.1-132.7 153.2 8.2 3.8 -22.5 4 7 A G E -Ab 39 90A 0 85,-2.8 87,-1.4 -2,-0.3 2,-0.4 -0.913 33.9-104.1-158.5-174.5 8.7 0.2 -21.5 5 8 A L E - b 0 91A 0 33,-1.9 2,-1.2 -2,-0.3 87,-0.2 -0.987 15.7-138.9-130.9 131.4 7.4 -2.9 -19.8 6 9 A I E - b 0 92A 0 85,-3.0 87,-2.5 -2,-0.4 2,-0.3 -0.760 35.8-155.8 -79.3 101.4 8.3 -4.4 -16.5 7 10 A I E + b 0 93A 1 -2,-1.2 17,-2.2 17,-0.4 2,-0.3 -0.648 19.8 169.6 -83.6 138.9 8.3 -8.0 -17.7 8 11 A F E -Cb 23 94A 0 85,-1.7 87,-2.1 -2,-0.3 2,-0.3 -0.981 18.8-151.8-144.0 159.2 7.7 -10.7 -15.2 9 12 A R E -C 22 0A 25 13,-2.8 13,-2.6 -2,-0.3 2,-0.5 -0.924 19.2-120.0-130.8 160.6 7.1 -14.4 -15.2 10 13 A R E -C 21 0A 69 85,-0.4 2,-0.6 -2,-0.3 11,-0.2 -0.845 15.9-160.0-105.1 131.2 5.2 -16.7 -12.8 11 14 A C - 0 0 5 9,-2.3 2,-0.7 -2,-0.5 6,-0.1 -0.909 11.9-171.2-111.8 107.4 7.0 -19.5 -11.1 12 15 A L + 0 0 137 -2,-0.6 8,-0.1 2,-0.1 -2,-0.0 -0.817 28.4 116.1-114.3 102.9 4.6 -22.1 -10.0 13 16 A I - 0 0 84 -2,-0.7 2,-1.8 4,-0.2 4,-0.1 -0.990 69.1 -91.9-164.6 159.3 5.9 -24.9 -7.8 14 17 A P S S- 0 0 119 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.456 98.6 -50.7 -84.4 69.2 5.9 -26.7 -4.4 15 18 A K S S+ 0 0 99 -2,-1.8 -3,-0.0 2,-0.2 3,-0.0 0.366 115.8 108.4 84.8 -5.1 8.7 -24.8 -2.7 16 19 A V S S+ 0 0 109 1,-0.1 2,-0.6 2,-0.0 3,-0.1 0.884 73.1 58.9 -66.6 -39.6 11.0 -25.4 -5.6 17 20 A D S S- 0 0 40 1,-0.2 -2,-0.2 -6,-0.1 -4,-0.2 -0.849 70.9-154.3 -99.7 117.1 10.8 -21.7 -6.5 18 21 A N S S+ 0 0 162 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.918 86.4 28.8 -51.6 -47.3 11.9 -19.2 -3.9 19 22 A N - 0 0 43 1,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.873 60.2-150.6-118.6 156.6 9.5 -16.8 -5.6 20 23 A A S S+ 0 0 51 -2,-0.3 -9,-2.3 1,-0.1 2,-0.4 0.607 90.3 51.6 -88.3 -17.9 6.3 -16.9 -7.6 21 24 A I E -C 10 0A 4 -11,-0.2 95,-0.5 -13,-0.0 2,-0.4 -0.983 64.1-177.6-125.8 130.1 7.1 -13.8 -9.6 22 25 A E E -C 9 0A 27 -13,-2.6 -13,-2.8 -2,-0.4 2,-0.3 -0.990 13.7-145.7-127.6 138.5 10.4 -13.0 -11.4 23 26 A F E -CD 8 114A 1 91,-4.0 91,-2.9 -2,-0.4 2,-0.6 -0.712 12.5-127.8-100.8 148.0 11.3 -9.9 -13.3 24 27 A L E - D 0 113A 0 -17,-2.2 -17,-0.4 -2,-0.3 2,-0.4 -0.838 26.2-179.6 -94.6 122.9 13.4 -9.4 -16.4 25 28 A L E - D 0 112A 0 87,-2.0 87,-1.7 -2,-0.6 2,-0.4 -0.961 13.4-150.6-117.6 143.1 16.3 -7.0 -16.3 26 29 A L E -ED 36 111A 0 10,-3.7 10,-1.9 -2,-0.4 2,-0.5 -0.892 13.1-131.1-111.9 138.2 18.5 -6.3 -19.2 27 30 A Q E -ED 35 110A 33 83,-3.0 82,-1.5 -2,-0.4 83,-0.6 -0.782 22.4-124.1 -89.6 128.3 22.2 -5.3 -18.9 28 31 A A E - D 0 108A 17 6,-3.4 80,-0.3 -2,-0.5 6,-0.2 -0.440 10.4-155.4 -66.0 137.6 23.3 -2.3 -20.9 29 32 A S S S+ 0 0 43 78,-3.6 2,-0.6 -2,-0.1 79,-0.2 0.911 84.0 63.2 -75.6 -46.8 26.3 -2.9 -23.2 30 33 A D S S+ 0 0 91 77,-0.6 3,-0.2 1,-0.2 4,-0.2 -0.732 119.7 13.2 -82.7 118.1 27.4 0.7 -23.2 31 34 A G S S- 0 0 63 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.1 -0.058 93.1-136.5 102.4 -29.5 28.4 1.6 -19.7 32 35 A I S S+ 0 0 108 1,-0.1 -1,-0.2 -4,-0.1 -3,-0.1 0.596 87.2 75.5 57.5 13.1 28.4 -2.1 -18.7 33 36 A H + 0 0 149 -3,-0.2 2,-0.5 -6,-0.0 -1,-0.1 0.475 63.5 100.6-132.6 -8.2 26.5 -1.2 -15.5 34 37 A H - 0 0 86 -4,-0.2 -6,-3.4 -6,-0.2 2,-0.5 -0.770 41.5-174.0 -97.8 128.4 22.9 -0.5 -16.2 35 38 A W E +E 27 0A 25 -2,-0.5 -8,-0.2 88,-0.3 76,-0.0 -0.959 21.1 145.9-122.1 115.8 20.1 -3.0 -15.6 36 39 A T E -E 26 0A 7 -10,-1.9 -10,-3.7 -2,-0.5 3,-0.1 -0.877 49.1-101.0-136.8 167.5 16.5 -2.1 -16.7 37 40 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 -31,-0.2 -0.389 69.4 -67.4 -76.7 170.1 13.4 -3.7 -18.1 38 41 A P S S+ 0 0 0 0, 0.0 -33,-1.9 0, 0.0 2,-0.3 -0.432 75.1 146.2 -63.5 133.0 13.0 -3.2 -21.8 39 42 A K E +A 4 0A 47 -35,-0.2 2,-0.3 16,-0.2 -35,-0.2 -0.979 14.0 158.4-155.9 169.7 12.3 0.4 -22.8 40 43 A G E -A 3 0A 9 -37,-1.6 -37,-2.7 -2,-0.3 2,-0.2 -0.975 40.1 -54.3-178.4-179.0 13.0 3.0 -25.5 41 44 A H E -A 2 0A 131 -2,-0.3 -39,-0.2 -39,-0.3 2,-0.2 -0.457 46.3-110.8 -85.7 145.5 11.9 6.2 -27.0 42 45 A V - 0 0 39 -41,-2.0 -1,-0.1 -2,-0.2 6,-0.1 -0.452 28.5-136.6 -68.2 130.5 8.6 7.3 -28.4 43 46 A E - 0 0 108 -2,-0.2 3,-0.3 4,-0.2 8,-0.1 -0.542 30.8-100.0 -83.1 158.4 8.3 7.7 -32.1 44 47 A P S S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.874 120.9 36.1 -46.9 -50.6 6.5 10.7 -33.5 45 48 A G S S+ 0 0 80 2,-0.0 -3,-0.0 -3,-0.0 0, 0.0 0.886 96.6 122.4 -65.9 -34.0 3.3 8.9 -34.3 46 49 A E - 0 0 38 -3,-0.3 2,-0.1 1,-0.1 -4,-0.0 0.091 54.9-141.2 -65.6 135.0 3.3 6.6 -31.3 47 50 A D > - 0 0 99 1,-0.1 4,-1.5 -5,-0.0 -4,-0.2 -0.406 35.1-114.1 -66.7 152.5 1.0 6.0 -28.5 48 51 A D H >> S+ 0 0 32 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.948 116.4 44.7 -64.4 -46.9 2.8 5.4 -25.2 49 52 A L H 3> S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.762 106.6 62.6 -63.7 -27.2 1.8 1.8 -24.8 50 53 A E H 3> S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.872 104.8 47.5 -62.6 -39.8 2.6 1.3 -28.5 51 54 A T H - 0 0 101 -2,-0.6 3,-1.8 -6,-0.1 4,-0.2 -0.382 28.9-106.2 -85.1 160.6 6.5 -10.3 -29.3 64 67 A A G > S+ 0 0 67 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.792 119.3 60.3 -60.9 -32.1 2.9 -9.3 -28.3 65 68 A G G 3 S+ 0 0 68 1,-0.2 -1,-0.3 3,-0.1 31,-0.0 0.758 104.7 50.9 -60.2 -27.3 1.7 -12.9 -28.7 66 69 A Q G < S+ 0 0 60 -3,-1.8 30,-1.6 30,-0.1 31,-0.4 0.333 109.3 67.0 -93.2 5.7 4.2 -13.8 -25.9 67 70 A L E < -F 95 0A 13 -3,-1.3 2,-0.4 28,-0.2 28,-0.2 -0.935 55.3-165.0-131.5 146.4 3.0 -11.1 -23.7 68 71 A T E -F 94 0A 84 26,-2.1 26,-2.8 -2,-0.3 2,-0.4 -0.972 21.1-137.6-132.9 123.1 -0.1 -10.1 -21.7 69 72 A I E -F 93 0A 30 -2,-0.4 2,-0.8 24,-0.2 24,-0.2 -0.612 14.7-136.8 -73.7 124.0 -0.5 -6.6 -20.3 70 73 A I E > -F 92 0A 26 22,-2.4 3,-0.8 -2,-0.4 22,-0.5 -0.743 25.6-137.0 -81.4 112.5 -1.8 -6.4 -16.8 71 74 A E E 3 S+ 0 0 124 -2,-0.8 3,-0.1 1,-0.2 -1,-0.0 -0.373 78.0 42.6 -69.1 150.4 -4.4 -3.7 -16.9 72 75 A G E 3 S+ 0 0 3 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.415 91.2 92.4 97.9 0.8 -4.6 -1.2 -14.1 73 76 A F E < + 0 0 2 -3,-0.8 19,-0.4 19,-0.1 2,-0.3 -0.989 35.0 147.5-132.4 139.3 -0.9 -0.5 -13.5 74 77 A K E - 0 0 54 -2,-0.4 2,-0.4 17,-0.2 17,-0.2 -0.964 19.6-163.7-160.0 147.9 1.4 2.2 -14.9 75 78 A R E -F 90 0A 9 15,-2.3 15,-2.2 -2,-0.3 2,-0.6 -0.933 6.8-155.7-145.5 119.8 4.4 4.0 -13.4 76 79 A E E -F 89 0A 30 -2,-0.4 2,-0.5 13,-0.2 13,-0.2 -0.844 13.4-157.1 -97.1 122.5 6.0 7.2 -14.6 77 80 A L E -F 88 0A 0 11,-3.3 11,-2.1 -2,-0.6 2,-0.5 -0.855 6.3-168.5 -99.8 129.8 9.6 7.5 -13.6 78 81 A N E +F 87 0A 19 -2,-0.5 2,-0.2 9,-0.2 9,-0.2 -0.949 30.4 121.4-122.2 113.0 11.1 11.0 -13.5 79 82 A Y E -F 86 0A 29 7,-2.0 7,-3.6 -2,-0.5 2,-0.5 -0.803 55.3 -92.7-153.4-169.7 14.9 11.2 -13.1 80 83 A V E +F 85 0A 113 5,-0.2 2,-0.4 -2,-0.2 3,-0.1 -0.973 33.3 177.3-126.1 115.6 18.3 12.4 -14.3 81 84 A A E > -F 84 0A 31 3,-2.9 3,-1.0 -2,-0.5 -2,-0.0 -0.981 68.8 -10.6-124.7 130.1 20.6 10.2 -16.4 82 85 A R T 3 S- 0 0 102 -2,-0.4 -1,-0.2 1,-0.3 0, 0.0 0.871 128.4 -55.1 55.9 39.7 24.0 11.2 -17.9 83 86 A N T 3 S+ 0 0 149 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.792 121.4 109.7 63.8 28.0 23.4 14.8 -16.9 84 87 A K E < S- F 0 81A 44 -3,-1.0 -3,-2.9 2,-0.0 2,-0.5 -0.963 74.0-109.6-133.4 149.7 20.2 14.7 -18.9 85 88 A P E - F 0 80A 127 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.701 36.8-162.1 -87.6 128.4 16.5 14.7 -17.8 86 89 A K E - F 0 79A 35 -7,-3.6 -7,-2.0 -2,-0.5 2,-0.4 -0.851 18.5-176.8-117.3 139.5 14.6 11.4 -18.2 87 90 A T E + F 0 78A 23 -2,-0.4 -85,-2.8 -9,-0.2 2,-0.4 -0.973 12.6 173.6-129.8 122.1 10.9 10.3 -18.3 88 91 A V E -bF 2 77A 2 -11,-2.1 -11,-3.3 -2,-0.4 2,-0.5 -0.984 15.4-156.5-129.1 137.1 10.0 6.7 -18.6 89 92 A I E -bF 3 76A 5 -87,-2.0 -85,-2.8 -2,-0.4 2,-0.4 -0.947 14.1-168.7-112.5 135.6 6.6 5.1 -18.4 90 93 A Y E -bF 4 75A 0 -15,-2.2 -15,-2.3 -2,-0.5 2,-0.2 -0.962 11.9-174.7-125.7 143.4 6.2 1.5 -17.5 91 94 A W E -b 5 0A 17 -87,-1.4 -85,-3.0 -2,-0.4 2,-0.5 -0.741 32.7-111.1-117.1 168.9 3.3 -1.0 -17.6 92 95 A L E -bF 6 70A 0 -22,-0.5 -22,-2.4 -19,-0.4 2,-0.4 -0.875 35.7-178.6-106.0 134.4 3.5 -4.6 -16.2 93 96 A A E -bF 7 69A 0 -87,-2.5 -85,-1.7 -2,-0.5 2,-0.4 -0.975 15.2-144.4-136.5 150.4 3.4 -7.4 -18.6 94 97 A E E -bF 8 68A 43 -26,-2.8 -26,-2.1 -2,-0.4 2,-0.5 -0.877 15.9-127.8-115.1 141.4 3.4 -11.1 -18.0 95 98 A V E - F 0 67A 6 -87,-2.1 -85,-0.4 -2,-0.4 -28,-0.2 -0.759 7.1-148.9 -90.7 133.3 5.1 -13.7 -20.2 96 99 A K S S+ 0 0 162 -30,-1.6 2,-0.5 -2,-0.5 -1,-0.1 0.853 84.2 45.3 -64.8 -36.4 2.9 -16.6 -21.3 97 100 A D > - 0 0 78 -31,-0.4 3,-1.4 1,-0.1 -1,-0.1 -0.942 68.9-146.5-119.5 132.7 5.8 -19.0 -21.4 98 101 A Y T 3 S+ 0 0 115 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.824 103.5 45.1 -56.6 -33.5 8.5 -19.4 -18.7 99 102 A D T 3 S+ 0 0 130 -3,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.038 78.1 154.6-108.9 25.1 11.0 -20.3 -21.4 100 103 A V < - 0 0 14 -3,-1.4 2,-0.5 1,-0.1 -38,-0.1 -0.226 53.1-105.2 -57.6 139.0 10.2 -17.6 -23.8 101 104 A E - 0 0 154 -40,-0.1 2,-0.6 2,-0.0 -1,-0.1 -0.592 29.6-152.3 -74.1 122.4 13.2 -16.8 -25.9 102 105 A I - 0 0 16 -2,-0.5 2,-0.6 -3,-0.1 -41,-0.3 -0.840 11.5-168.6 -91.1 122.4 14.8 -13.5 -25.0 103 106 A R - 0 0 42 -43,-2.8 2,-0.1 -2,-0.6 -41,-0.1 -0.902 6.9-156.0-120.8 107.0 16.6 -12.0 -27.9 104 107 A L - 0 0 57 -2,-0.6 -44,-0.2 -44,-0.1 2,-0.2 -0.397 3.1-144.8 -78.4 153.3 18.9 -9.1 -27.1 105 108 A S > - 0 0 38 -46,-0.7 3,-1.7 -2,-0.1 -1,-0.1 -0.451 45.1 -83.8 -98.4-179.5 20.0 -6.3 -29.5 106 109 A H T 3 S+ 0 0 162 1,-0.3 -77,-0.1 -2,-0.2 -2,-0.0 0.766 121.5 74.3 -58.8 -26.0 23.4 -4.6 -29.4 107 110 A E T 3 S+ 0 0 90 -78,-0.1 -78,-3.6 -79,-0.1 -77,-0.6 0.769 100.9 41.1 -60.6 -25.4 22.2 -2.3 -26.6 108 111 A H E < -D 28 0A 18 -3,-1.7 -80,-0.2 -80,-0.3 3,-0.1 -0.915 53.7-169.2-131.0 150.2 22.4 -5.2 -24.1 109 112 A Q E S+ 0 0 93 -82,-1.5 2,-0.3 -2,-0.3 -81,-0.1 0.615 72.6 6.4-114.4 -17.7 24.8 -7.9 -23.4 110 113 A A E -D 27 0A 35 -83,-0.6 -83,-3.0 2,-0.0 -1,-0.3 -0.985 55.5-151.7-156.3 161.7 23.0 -10.1 -20.9 111 114 A Y E -D 26 0A 96 -2,-0.3 2,-0.3 -85,-0.2 -85,-0.2 -0.887 7.9-163.0-129.9 165.9 19.6 -10.6 -19.2 112 115 A R E -D 25 0A 147 -87,-1.7 -87,-2.0 -2,-0.3 2,-0.5 -0.985 16.2-138.8-145.7 143.8 18.6 -12.1 -15.9 113 116 A W E -D 24 0A 34 -2,-0.3 2,-0.4 -89,-0.2 -89,-0.2 -0.925 38.4-175.9-100.4 123.9 15.3 -13.4 -14.4 114 117 A L E -D 23 0A 17 -91,-2.9 -91,-4.0 -2,-0.5 2,-0.1 -0.940 32.3-123.9-135.6 146.3 14.9 -12.2 -10.9 115 118 A G > - 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