==== 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 11-JUL-13 4LNA . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPIROSOMA LINGUALE; . AUTHOR V.N.MALASHKEVICH,J.B.BONANNO,R.BHOSLE,R.TORO,B.HILLERICH,A.G . 269 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 8.9 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 . 2 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 . 14 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 1 0 0 0 0 2 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 1 0 0 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 1 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A S > 0 0 106 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-151.6 -22.4 4.3 -12.9 2 1 A X H > + 0 0 72 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.865 360.0 59.5 -67.4 -36.5 -21.5 5.0 -9.3 3 2 A F H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.850 103.3 49.6 -55.6 -40.7 -23.9 8.0 -9.7 4 3 A E H > S+ 0 0 139 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.875 109.8 51.1 -70.2 -38.2 -26.7 5.6 -10.5 5 4 A Q H X S+ 0 0 81 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.948 110.0 48.8 -60.7 -51.1 -26.0 3.5 -7.4 6 5 A I H X S+ 0 0 15 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.899 110.0 52.9 -56.4 -41.5 -26.0 6.5 -5.2 7 6 A Q H X S+ 0 0 70 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.934 109.8 47.8 -58.5 -46.6 -29.3 7.6 -6.7 8 7 A E H X S+ 0 0 97 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.923 113.1 48.1 -62.4 -45.0 -30.8 4.2 -6.0 9 8 A T H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.944 115.3 43.5 -60.2 -50.2 -29.5 4.3 -2.4 10 9 A T H X S+ 0 0 10 -4,-2.9 4,-3.4 2,-0.2 -2,-0.2 0.852 110.7 55.7 -68.3 -35.4 -30.8 7.8 -1.7 11 10 A Q H X S+ 0 0 117 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.940 109.3 47.5 -60.8 -47.3 -34.1 7.1 -3.4 12 11 A F H X S+ 0 0 48 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.935 114.2 46.4 -56.8 -50.4 -34.6 4.2 -1.0 13 12 A I H >X S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 4,-1.4 0.943 110.4 52.6 -59.4 -49.5 -33.6 6.3 2.0 14 13 A Q H 3< S+ 0 0 95 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.829 102.4 60.3 -55.4 -33.7 -35.9 9.2 0.9 15 14 A S H 3< S+ 0 0 85 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.724 110.9 41.4 -66.9 -22.5 -38.9 6.8 0.6 16 15 A K H << S+ 0 0 113 -3,-1.5 2,-0.2 -4,-0.7 -1,-0.2 0.698 110.9 61.4 -94.8 -23.7 -38.4 6.0 4.4 17 16 A I < - 0 0 12 -4,-1.4 3,-0.0 1,-0.1 25,-0.0 -0.651 42.6-177.8-109.4 159.5 -37.8 9.5 5.8 18 17 A T + 0 0 119 -2,-0.2 -1,-0.1 -3,-0.0 2,-0.1 0.489 62.9 90.5-124.0 -14.5 -39.6 12.8 6.0 19 18 A L - 0 0 41 53,-0.1 -2,-0.1 1,-0.1 47,-0.0 -0.361 67.3-140.6 -78.1 161.5 -37.0 14.9 7.7 20 19 A R - 0 0 224 -2,-0.1 51,-0.2 81,-0.0 -1,-0.1 -0.629 23.2-168.1-122.4 71.6 -34.4 16.9 5.7 21 20 A P - 0 0 10 0, 0.0 51,-0.2 0, 0.0 3,-0.1 -0.345 20.4-179.9 -64.3 136.8 -31.2 16.6 7.7 22 21 A A + 0 0 52 49,-0.9 81,-2.5 80,-0.1 82,-1.9 0.301 70.0 68.6-107.3 2.6 -28.3 18.9 6.7 23 22 A I E -ab 72 104A 10 48,-0.7 50,-2.1 79,-0.2 2,-0.3 -0.969 62.3-169.2-126.3 135.3 -26.1 17.3 9.5 24 23 A G E -ab 73 105A 0 80,-2.8 82,-2.8 -2,-0.4 2,-0.4 -0.950 3.8-161.0-125.2 147.4 -24.6 13.8 9.6 25 24 A I E -ab 74 106A 1 48,-2.6 50,-3.3 -2,-0.3 2,-0.6 -0.993 5.7-161.6-131.6 126.4 -22.9 11.9 12.4 26 25 A I E -ab 75 107A 1 80,-2.6 82,-2.2 -2,-0.4 2,-0.5 -0.945 19.3-148.1-103.2 116.1 -20.6 8.8 12.1 27 26 A L E -a 76 0A 6 48,-2.2 50,-0.6 -2,-0.6 3,-0.1 -0.743 14.6-125.1 -88.4 126.2 -20.4 7.1 15.5 28 27 A G > - 0 0 4 -2,-0.5 3,-2.2 3,-0.2 2,-0.2 -0.214 41.3 -79.4 -63.7 156.9 -17.1 5.3 16.3 29 28 A T T 3 S+ 0 0 73 1,-0.3 -1,-0.1 79,-0.1 223,-0.0 -0.439 123.3 19.9 -62.0 122.3 -17.0 1.6 17.3 30 29 A G T 3 S+ 0 0 30 -2,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.529 104.0 94.3 91.0 10.2 -18.0 1.5 21.0 31 30 A L X + 0 0 1 -3,-2.2 3,-0.5 1,-0.1 -3,-0.2 -0.286 36.5 124.9-126.1 49.3 -19.6 4.9 20.9 32 31 A G T > + 0 0 22 1,-0.2 3,-1.5 2,-0.1 4,-0.2 0.539 43.3 96.3 -82.9 -5.9 -23.3 4.2 20.3 33 32 A A T >> + 0 0 30 1,-0.3 3,-1.7 2,-0.2 4,-0.6 0.691 67.3 75.0 -63.2 -20.3 -24.8 6.1 23.3 34 33 A L H X> S+ 0 0 5 -3,-0.5 3,-1.3 1,-0.3 4,-0.9 0.856 83.3 67.3 -60.8 -35.1 -25.5 9.2 21.3 35 34 A T H <4 S+ 0 0 15 -3,-1.5 -1,-0.3 1,-0.3 5,-0.2 0.673 92.4 61.4 -58.5 -19.7 -28.5 7.4 19.7 36 35 A N H <4 S+ 0 0 136 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.822 104.2 47.6 -74.1 -32.1 -30.2 7.5 23.2 37 36 A E H << S+ 0 0 87 -3,-1.3 2,-0.4 -4,-0.6 -2,-0.2 0.654 97.1 96.3 -79.0 -18.7 -30.1 11.3 23.1 38 37 A L S < S- 0 0 10 -4,-0.9 2,-1.2 29,-0.1 29,-0.2 -0.593 74.9-137.4 -78.3 127.1 -31.5 11.2 19.6 39 38 A D E -C 66 0A 116 27,-2.6 27,-2.2 -2,-0.4 2,-0.5 -0.745 33.5-145.0 -77.7 97.7 -35.2 11.6 19.1 40 39 A I E +C 65 0A 71 -2,-1.2 25,-0.3 25,-0.2 3,-0.1 -0.539 33.4 168.1 -80.3 118.2 -35.4 8.9 16.4 41 40 A D E S+ 0 0 88 23,-2.4 2,-0.3 -2,-0.5 24,-0.2 0.830 71.5 14.7 -91.8 -40.8 -37.9 9.5 13.6 42 41 A T E -C 64 0A 22 22,-2.5 22,-2.7 2,-0.0 2,-0.5 -0.996 59.9-158.9-138.7 140.8 -36.8 6.7 11.3 43 42 A T E -C 63 0A 69 -2,-0.3 20,-0.2 20,-0.2 18,-0.0 -0.987 9.4-176.5-119.4 125.1 -34.6 3.6 11.6 44 43 A I E -C 62 0A 4 18,-3.1 18,-2.7 -2,-0.5 5,-0.1 -0.896 19.4-141.8-123.7 101.0 -33.0 2.0 8.5 45 44 A P E >> -C 61 0A 42 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.342 19.5-126.1 -57.7 136.3 -31.0 -1.2 9.1 46 45 A Y G >4 S+ 0 0 5 14,-2.9 3,-1.2 1,-0.3 6,-0.2 0.819 106.1 67.1 -51.9 -34.8 -27.9 -1.3 6.8 47 46 A E G 34 S+ 0 0 113 13,-0.4 -1,-0.3 1,-0.3 14,-0.1 0.701 100.8 48.4 -63.3 -22.8 -28.9 -4.7 5.4 48 47 A T G <4 S+ 0 0 71 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.587 87.5 101.7 -91.8 -14.7 -32.0 -3.2 3.7 49 48 A I S X< S- 0 0 7 -3,-1.2 3,-1.7 -4,-0.5 -40,-0.1 -0.618 79.4-115.5 -80.8 118.9 -30.1 -0.3 2.1 50 49 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.212 93.7 3.1 -49.7 136.3 -29.4 -0.8 -1.6 51 50 A H T 3 S+ 0 0 71 1,-0.2 41,-0.1 -43,-0.0 3,-0.1 0.336 92.3 133.6 65.5 -0.9 -25.6 -1.0 -2.5 52 51 A F < - 0 0 12 -3,-1.7 -1,-0.2 -6,-0.2 2,-0.1 -0.507 69.0 -97.3 -67.7 145.6 -24.5 -0.8 1.2 53 52 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.453 45.6-112.5 -65.5 140.4 -21.8 -3.4 2.1 54 53 A L S S+ 0 0 141 1,-0.2 -7,-0.0 -2,-0.1 -8,-0.0 -0.494 73.4 1.3 -78.4 140.9 -23.3 -6.5 3.7 55 54 A S - 0 0 107 -2,-0.2 2,-0.2 4,-0.2 -1,-0.2 0.946 66.2-154.8 60.5 85.2 -22.8 -7.7 7.4 56 55 A T 0 0 22 3,-0.5 -1,-0.1 -3,-0.1 23,-0.1 -0.593 360.0 360.0 -95.8 147.9 -20.6 -5.4 9.6 57 56 A V 0 0 164 -2,-0.2 -1,-0.1 21,-0.1 22,-0.1 0.943 360.0 360.0 -81.0 360.0 -18.5 -6.4 12.7 58 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 59 60 A S 0 0 120 0, 0.0 -3,-0.5 0, 0.0 -4,-0.2 0.000 360.0 360.0 360.0 -62.9 -25.9 -5.0 12.7 60 61 A G - 0 0 9 -14,-0.1 -14,-2.9 -5,-0.1 -13,-0.4 0.525 360.0-161.1 95.8 120.2 -25.5 -1.4 11.5 61 62 A K E -CD 45 76A 76 15,-2.9 15,-3.6 -16,-0.3 2,-0.6 -0.994 18.8-148.8-138.1 140.5 -28.2 1.2 11.4 62 63 A L E -CD 44 75A 4 -18,-2.7 -18,-3.1 -2,-0.4 2,-0.4 -0.922 25.9-166.8 -98.9 122.9 -28.9 4.5 9.8 63 64 A L E -CD 43 74A 1 11,-3.0 11,-3.0 -2,-0.6 2,-0.5 -0.943 8.3-165.9-116.8 130.8 -31.0 6.7 12.2 64 65 A I E +CD 42 73A 1 -22,-2.7 -22,-2.5 -2,-0.4 -23,-2.4 -0.974 37.7 101.5-116.2 126.5 -32.8 9.8 11.2 65 66 A G E -CD 40 72A 0 7,-2.0 7,-2.6 -2,-0.5 2,-0.4 -0.890 64.2 -54.9-170.7-158.1 -34.1 12.1 13.9 66 67 A T E +CD 39 71A 52 -27,-2.2 -27,-2.6 -2,-0.3 2,-0.3 -0.891 41.8 162.9-113.4 133.9 -33.8 15.3 16.0 67 68 A L E > S+ D 0 70A 5 3,-2.6 3,-1.8 -2,-0.4 -29,-0.1 -0.971 72.3 0.8-149.6 135.6 -30.8 16.3 18.1 68 69 A G T 3 S- 0 0 22 -2,-0.3 3,-0.1 1,-0.3 -30,-0.0 0.837 129.9 -60.3 52.5 37.2 -29.9 19.7 19.5 69 70 A G T 3 S+ 0 0 75 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.581 118.5 100.5 71.1 11.6 -33.1 21.0 17.9 70 71 A K E < S- D 0 67A 62 -3,-1.8 -3,-2.6 -49,-0.0 2,-0.3 -0.928 78.4-105.0-128.8 153.4 -32.0 20.1 14.4 71 72 A S E + D 0 66A 35 -2,-0.3 -49,-0.9 -5,-0.2 -48,-0.7 -0.606 48.2 170.3 -73.4 129.7 -32.6 17.3 11.9 72 73 A V E -aD 23 65A 0 -7,-2.6 -7,-2.0 -2,-0.3 2,-0.4 -0.937 31.4-138.6-137.7 157.9 -29.6 14.8 11.7 73 74 A V E -aD 24 64A 1 -50,-2.1 -48,-2.6 -2,-0.3 2,-0.5 -0.974 22.1-161.1-114.6 135.8 -28.7 11.5 10.2 74 75 A V E -aD 25 63A 0 -11,-3.0 -11,-3.0 -2,-0.4 2,-0.8 -0.981 10.9-150.9-123.3 126.2 -26.7 9.1 12.4 75 76 A X E -aD 26 62A 5 -50,-3.3 -48,-2.2 -2,-0.5 2,-0.8 -0.868 11.4-168.2 -92.0 110.5 -24.6 6.2 11.1 76 77 A Q E +aD 27 61A 55 -15,-3.6 -15,-2.9 -2,-0.8 2,-0.1 -0.868 68.5 16.3-100.6 101.4 -24.6 3.6 13.9 77 78 A G S S- 0 0 26 -2,-0.8 2,-0.3 -50,-0.6 -50,-0.1 0.004 74.2-153.3 106.2 137.3 -21.9 1.2 12.7 78 79 A R - 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