==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JUL-13 4LKR . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE DEOD-TYPE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR V.N.MALASHKEVICH,J.B.BONANNO,R.BHOSLE,R.TORO,B.HILLERICH,A.G . 233 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 10.3 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 . 1 0.4 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 . 17 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 1 0 0 1 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 0 0 0 1 0 1 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 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 2 A T > 0 0 89 0, 0.0 3,-1.3 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0 57.7 0.4 118.4 -29.2 2 3 A A T 3 + 0 0 77 1,-0.2 3,-0.1 3,-0.1 0, 0.0 0.435 360.0 60.1 -67.0 3.7 -2.4 120.0 -27.2 3 4 A H T 3 S+ 0 0 50 1,-0.2 2,-0.4 67,-0.1 -1,-0.2 0.594 100.2 47.1-114.7 -14.3 -0.2 120.1 -24.1 4 5 A I < - 0 0 6 -3,-1.3 -1,-0.2 2,-0.1 35,-0.1 -0.997 58.4-166.8-129.5 124.2 2.7 122.3 -25.1 5 6 A N + 0 0 86 -2,-0.4 2,-0.2 -3,-0.1 -3,-0.1 -0.160 49.0 117.0-105.5 38.6 2.0 125.7 -26.8 6 7 A A S S- 0 0 16 1,-0.1 -2,-0.1 33,-0.1 33,-0.1 -0.479 71.5-101.7 -86.8 169.7 5.6 126.4 -28.0 7 8 A Q > - 0 0 127 -2,-0.2 3,-2.2 31,-0.1 4,-0.2 -0.631 42.4-101.7 -82.1 153.7 6.8 126.6 -31.6 8 9 A P T 3 S+ 0 0 86 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.772 121.4 42.5 -50.1 -38.5 8.7 123.5 -32.9 9 10 A T T 3 S+ 0 0 106 1,-0.2 70,-0.1 71,-0.0 71,-0.0 0.360 85.0 102.6 -89.7 5.7 12.2 125.1 -32.5 10 11 A D < + 0 0 41 -3,-2.2 2,-0.3 28,-0.1 -1,-0.2 0.558 67.6 72.6 -73.2 -8.1 11.5 126.7 -29.0 11 12 A F S S- 0 0 11 -3,-0.4 37,-0.1 68,-0.3 4,-0.1 -0.823 74.8-126.9-110.1 147.5 13.3 124.1 -26.9 12 13 A A - 0 0 5 -2,-0.3 44,-0.1 2,-0.3 70,-0.1 -0.353 38.0-105.0 -72.7 166.1 17.0 123.3 -26.4 13 14 A E S S+ 0 0 117 42,-0.2 69,-2.2 68,-0.2 70,-1.7 0.749 110.1 54.6 -70.5 -21.5 18.1 119.7 -26.9 14 15 A T E -a 83 0A 10 41,-0.3 43,-1.7 68,-0.2 2,-0.4 -0.936 69.7-169.5-108.6 136.9 18.3 119.3 -23.2 15 16 A V E -ab 84 57A 0 68,-2.4 70,-2.0 -2,-0.4 2,-0.4 -0.989 11.1-151.7-123.3 123.2 15.4 120.1 -20.9 16 17 A I E -ab 85 58A 6 41,-3.0 43,-2.3 -2,-0.4 70,-0.2 -0.770 21.6-164.4 -87.2 135.2 15.8 120.2 -17.2 17 18 A X E +a 86 0A 0 68,-2.8 70,-1.8 -2,-0.4 43,-0.2 -0.902 18.4 178.4-135.4 106.6 12.5 119.3 -15.5 18 19 A P - 0 0 2 0, 0.0 43,-1.2 0, 0.0 44,-0.3 -0.485 38.4-119.6 -84.4 174.1 11.3 119.7 -12.0 19 20 A G S S+ 0 0 18 68,-0.4 43,-2.2 41,-0.2 42,-0.2 0.908 97.0 69.3 -76.3 -44.1 7.8 118.6 -11.1 20 21 A D >> - 0 0 71 40,-0.2 4,-1.5 1,-0.1 3,-0.8 -0.631 69.0-154.4 -81.8 118.7 6.6 122.1 -10.1 21 22 A P H 3> S+ 0 0 24 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.844 98.1 60.2 -62.5 -30.7 6.3 124.6 -12.9 22 23 A L H 3> S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.780 101.7 54.3 -66.0 -26.6 6.9 127.4 -10.4 23 24 A R H <> S+ 0 0 110 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.890 106.7 50.2 -69.7 -41.7 10.3 125.8 -9.7 24 25 A A H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.942 110.8 50.1 -60.4 -46.8 11.1 125.9 -13.5 25 26 A K H X S+ 0 0 82 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.952 110.4 49.1 -53.4 -53.2 10.1 129.6 -13.4 26 27 A Y H X S+ 0 0 81 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.896 112.2 48.2 -55.1 -45.7 12.4 130.3 -10.4 27 28 A I H X>S+ 0 0 3 -4,-2.5 4,-2.9 1,-0.2 5,-1.0 0.897 110.1 52.4 -62.6 -41.6 15.3 128.5 -12.1 28 29 A A H <5S+ 0 0 2 -4,-2.7 7,-0.4 1,-0.2 4,-0.4 0.868 116.6 38.9 -63.0 -40.2 14.8 130.4 -15.3 29 30 A E H <5S+ 0 0 131 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.846 124.3 38.4 -77.9 -35.5 14.8 133.8 -13.5 30 31 A T H <5S+ 0 0 75 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.853 130.6 17.6 -87.4 -35.3 17.6 132.9 -11.0 31 32 A Y T <5S+ 0 0 39 -4,-2.9 2,-0.3 -5,-0.2 -3,-0.2 0.645 105.2 79.0-113.8 -22.0 20.1 130.8 -13.1 32 33 A L < - 0 0 17 -5,-1.0 2,-0.5 -4,-0.4 3,-0.3 -0.658 67.4-132.8 -96.8 149.4 19.4 131.3 -16.7 33 34 A T E S-C 50 0A 78 17,-3.4 17,-2.2 -2,-0.3 -4,-0.1 -0.871 88.1 -6.6 -93.3 129.1 20.5 134.3 -18.9 34 35 A D E S- 0 0 130 -2,-0.5 -1,-0.2 15,-0.2 14,-0.1 0.839 83.7-173.9 60.3 38.1 17.7 135.7 -21.1 35 36 A A E - 0 0 35 -7,-0.4 2,-0.4 -3,-0.3 14,-0.3 -0.392 5.1-161.6 -62.8 137.1 15.2 133.0 -20.3 36 37 A V E -C 48 0A 89 12,-2.4 12,-2.2 -2,-0.1 2,-0.5 -0.993 22.2-121.2-121.0 132.7 12.0 133.2 -22.3 37 38 A E E +C 47 0A 88 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.616 36.1 172.2 -65.2 119.6 8.7 131.5 -21.3 38 39 A V E + 0 0 20 8,-2.6 2,-0.3 -2,-0.5 9,-0.2 0.576 59.3 26.2-109.6 -16.4 7.9 129.3 -24.3 39 40 A T E +C 46 0A 1 7,-1.5 7,-1.9 -33,-0.1 -1,-0.3 -0.995 43.5 155.6-149.8 143.2 4.9 127.3 -23.0 40 41 A N > + 0 0 70 -2,-0.3 3,-2.1 5,-0.2 5,-0.2 0.304 22.9 147.5-149.8 7.8 2.2 127.8 -20.4 41 42 A V G > S+ 0 0 34 1,-0.3 3,-2.1 3,-0.2 -38,-0.0 -0.242 84.5 2.3 -42.1 128.4 -0.7 125.5 -21.5 42 43 A R G 3 S- 0 0 179 1,-0.3 -1,-0.3 -38,-0.0 3,-0.1 0.730 127.7 -70.6 61.2 26.9 -2.5 124.3 -18.3 43 44 A N G < S+ 0 0 129 -3,-2.1 2,-1.3 1,-0.2 -1,-0.3 0.569 97.4 137.9 66.4 11.1 -0.2 126.4 -16.1 44 45 A X < - 0 0 24 -3,-2.1 -3,-0.2 -41,-0.1 -1,-0.2 -0.712 43.1-157.6 -89.1 90.1 2.7 124.0 -17.0 45 46 A L + 0 0 18 -2,-1.3 15,-2.1 -5,-0.2 2,-0.3 -0.431 17.2 177.6 -80.9 140.2 5.4 126.6 -17.5 46 47 A G E -CD 39 59A 0 -7,-1.9 -8,-2.6 13,-0.2 -7,-1.5 -0.987 6.1-164.4-140.8 152.9 8.6 126.1 -19.5 47 48 A Y E -CD 37 58A 13 11,-2.8 11,-1.9 -2,-0.3 2,-0.4 -0.897 12.9-153.3-137.2 153.5 11.5 128.3 -20.5 48 49 A T E +CD 36 57A 9 -12,-2.2 -12,-2.4 -2,-0.3 9,-0.2 -0.998 38.0 127.9-132.6 128.9 14.4 128.5 -22.9 49 50 A G E - D 0 56A 0 7,-2.7 7,-2.3 -2,-0.4 2,-0.4 -0.718 49.4 -79.1-153.4-161.5 17.5 130.5 -22.0 50 51 A Y E -CD 33 55A 101 -17,-2.2 -17,-3.4 5,-0.2 2,-0.4 -0.950 21.4-170.8-125.5 143.2 21.3 130.3 -21.7 51 52 A Y E > S- D 0 54A 30 3,-2.7 3,-2.2 -2,-0.4 -19,-0.1 -0.991 83.1 -18.3-127.2 125.2 23.7 129.0 -19.2 52 53 A Q T 3 S- 0 0 129 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.909 130.8 -50.0 43.1 52.8 27.4 129.8 -19.6 53 54 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.536 117.3 112.5 68.3 10.8 26.7 130.8 -23.2 54 55 A Q E < S- D 0 51A 74 -3,-2.2 -3,-2.7 178,-0.0 2,-0.2 -0.937 70.2-112.2-119.1 142.0 24.8 127.6 -24.0 55 56 A R E + D 0 50A 103 -2,-0.4 2,-0.3 -5,-0.2 -41,-0.3 -0.439 44.2 162.2 -71.8 136.6 21.1 127.1 -24.8 56 57 A I E - D 0 49A 1 -7,-2.3 -7,-2.7 -2,-0.2 2,-0.3 -0.993 24.0-146.4-156.0 143.0 19.1 125.1 -22.3 57 58 A S E -bD 15 48A 0 -43,-1.7 -41,-3.0 -2,-0.3 2,-0.4 -0.867 6.2-167.1-115.6 151.4 15.4 124.7 -21.4 58 59 A V E +bD 16 47A 2 -11,-1.9 -11,-2.8 -2,-0.3 2,-0.3 -0.994 17.3 163.7-137.5 132.0 13.6 124.2 -18.0 59 60 A X E - D 0 46A 0 -43,-2.3 -13,-0.2 -2,-0.4 2,-0.1 -0.997 36.5-113.0-151.4 139.0 10.0 123.0 -17.7 60 61 A G - 0 0 0 -15,-2.1 -41,-0.2 -2,-0.3 -40,-0.2 -0.353 18.8-169.8 -63.5 148.7 7.6 121.6 -15.1 61 62 A H - 0 0 0 -43,-1.2 10,-0.2 -42,-0.2 -42,-0.2 0.392 31.3-137.0-121.8 -2.7 6.4 118.0 -15.7 62 63 A G - 0 0 6 -43,-2.2 2,-0.4 -44,-0.3 -1,-0.2 -0.126 41.0 -39.0 69.8-166.5 3.6 117.8 -13.0 63 64 A X S S+ 0 0 158 4,-0.1 4,-0.4 5,-0.0 3,-0.0 -0.766 96.6 14.1-108.9 132.5 3.0 115.0 -10.7 64 65 A G S > S- 0 0 9 -2,-0.4 4,-2.6 2,-0.1 3,-0.4 0.144 84.9 -82.9 92.5 151.2 3.1 111.3 -11.4 65 66 A I H > S+ 0 0 1 114,-0.6 4,-3.2 1,-0.2 5,-0.4 0.897 124.7 59.1 -54.0 -47.5 4.6 109.1 -14.2 66 67 A S H > S+ 0 0 94 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.882 112.0 41.0 -49.5 -45.5 1.4 109.7 -16.4 67 68 A S H > S+ 0 0 32 -3,-0.4 4,-1.9 -4,-0.4 3,-0.4 0.956 116.7 47.9 -66.1 -52.7 2.0 113.4 -16.3 68 69 A X H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.930 113.4 45.3 -59.1 -51.5 5.8 113.3 -16.7 69 70 A V H X S+ 0 0 14 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.686 107.9 57.7 -73.9 -20.6 5.9 110.9 -19.6 70 71 A L H X S+ 0 0 70 -4,-0.9 4,-1.9 -3,-0.4 -1,-0.2 0.943 113.7 38.5 -68.6 -51.1 3.1 112.7 -21.5 71 72 A Y H X S+ 0 0 15 -4,-1.9 4,-2.7 -10,-0.2 -2,-0.2 0.929 116.7 52.9 -62.4 -45.5 5.2 115.9 -21.5 72 73 A G H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.2 5,-0.2 0.911 107.5 51.0 -55.8 -46.3 8.3 113.9 -22.1 73 74 A H H X S+ 0 0 71 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.905 111.2 47.9 -61.7 -41.4 6.8 112.2 -25.1 74 75 A E H X>S+ 0 0 15 -4,-1.9 4,-3.1 2,-0.2 5,-0.7 0.931 110.4 51.2 -66.1 -45.0 5.8 115.5 -26.7 75 76 A L H X5S+ 0 0 0 -4,-2.7 6,-1.8 1,-0.2 4,-1.4 0.947 115.4 42.5 -53.8 -53.2 9.2 117.1 -26.1 76 77 A I H <5S+ 0 0 21 -4,-2.4 4,-0.5 4,-0.2 -2,-0.2 0.925 123.7 35.4 -59.1 -47.6 11.0 114.2 -27.7 77 78 A N H <5S+ 0 0 74 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.768 131.5 21.4 -90.8 -27.2 8.6 113.8 -30.6 78 79 A F H <5S+ 0 0 98 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.2 0.506 127.2 42.5-115.0 -10.3 7.4 117.3 -31.5 79 80 A F S < S- 0 0 24 81,-0.6 3,-1.1 1,-0.1 112,-0.1 -0.995 70.6-136.6-131.9 144.3 18.3 104.4 4.1 95 96 A Q T 3 S+ 0 0 117 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.893 106.6 55.6 -64.6 -37.2 19.9 105.3 7.4 96 97 A H T 3 S+ 0 0 107 -3,-0.1 2,-0.5 2,-0.1 -1,-0.2 0.564 86.4 97.0 -74.7 -7.8 23.1 106.3 5.8 97 98 A V < - 0 0 2 -3,-1.1 2,-0.2 78,-0.1 -3,-0.1 -0.742 65.6-155.3 -83.0 127.3 21.2 108.8 3.5 98 99 A E > - 0 0 91 -2,-0.5 3,-2.3 1,-0.1 103,-0.1 -0.694 26.9-113.0-109.6 157.5 21.4 112.3 4.9 99 100 A X T 3 S+ 0 0 16 1,-0.3 102,-0.5 -2,-0.2 -1,-0.1 0.748 117.0 49.1 -56.9 -28.5 19.2 115.4 4.6 100 101 A R T 3 S+ 0 0 160 100,-0.1 -1,-0.3 2,-0.1 46,-0.2 0.392 87.7 113.4 -94.0 0.6 22.0 117.2 2.8 101 102 A D < - 0 0 2 -3,-2.3 100,-0.5 44,-0.1 2,-0.5 -0.446 57.3-144.2 -75.9 143.9 22.7 114.5 0.2 102 103 A V E -gH 147 200A 0 44,-2.4 46,-2.1 98,-0.1 2,-0.5 -0.945 20.6-143.6-100.8 130.0 22.1 114.8 -3.5 103 104 A I E -gH 148 199A 0 96,-3.7 96,-2.6 -2,-0.5 2,-0.7 -0.829 8.5-158.7 -97.6 127.7 20.9 111.5 -4.9 104 105 A L E -gH 149 198A 0 44,-2.9 46,-1.7 -2,-0.5 2,-1.1 -0.931 20.4-137.7-101.2 115.1 22.0 110.4 -8.4 105 106 A A E +g 150 0A 0 92,-2.1 92,-0.5 -2,-0.7 23,-0.3 -0.610 24.8 178.1 -79.8 99.9 19.5 107.8 -9.6 106 107 A Q E S- 0 0 97 44,-2.5 22,-2.5 -2,-1.1 2,-0.3 0.943 72.1 -12.1 -62.2 -49.2 21.5 105.0 -11.3 107 108 A A E -gI 151 127A 23 43,-0.8 45,-2.0 20,-0.3 2,-0.3 -0.946 66.5-149.2-148.4 163.1 18.4 102.9 -11.9 108 109 A A E -gI 152 126A 11 18,-2.6 18,-0.5 -2,-0.3 2,-0.3 -0.987 3.2-161.0-139.2 147.1 14.7 102.9 -10.8 109 110 A G E -g 153 0A 31 43,-1.8 45,-2.7 -2,-0.3 73,-0.3 -0.738 18.3-176.8-114.5 173.8 11.9 100.4 -10.3 110 111 A T E -g 154 0A 34 -2,-0.3 45,-0.2 43,-0.2 69,-0.0 -0.970 40.7-131.3-159.8 161.5 8.2 101.1 -10.1 111 112 A D S S+ 0 0 69 43,-1.0 44,-0.1 -2,-0.3 -1,-0.1 0.284 79.5 106.9 -98.8 2.2 4.7 99.8 -9.6 112 113 A S > - 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