==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 23-MAR-12 4EB8 . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.HO,A.M.HAAPALAINEN,J.J.SUAREZ,S.C.ALMO,V.L.SCHRAMM . 859 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31720.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 599 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 7.7 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 . 3 0.3 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 . 73 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 4 2 0 0 1 8 2 1 1 2 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 3 3 0 3 0 0 3 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 3 3 0 3 0 3 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 2 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 -1 A T 0 0 133 0, 0.0 2,-0.3 0, 0.0 380,-0.0 0.000 360.0 360.0 360.0 23.4 -7.0 -17.9 -34.6 2 0 A L - 0 0 67 380,-0.1 2,-1.4 1,-0.0 380,-0.2 -0.636 360.0-125.8 -75.7 144.3 -4.6 -15.4 -33.1 3 1 A M + 0 0 108 378,-3.0 2,-0.1 -2,-0.3 379,-0.1 -0.624 62.0 146.4 -87.0 71.6 -1.8 -16.8 -30.9 4 2 A E - 0 0 99 -2,-1.4 2,-0.3 147,-0.1 147,-0.2 -0.414 58.8 -70.1-100.1 175.9 -2.7 -14.5 -28.0 5 3 A N - 0 0 36 147,-0.3 -1,-0.1 1,-0.1 144,-0.0 -0.551 36.5-148.5 -62.9 128.5 -2.7 -14.8 -24.2 6 4 A G S S+ 0 0 48 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.1 0.419 73.4 85.2 -81.9 -0.6 -5.4 -17.3 -23.1 7 5 A Y - 0 0 32 4,-0.0 2,-0.1 3,-0.0 -2,-0.1 -0.912 68.9-144.1-106.8 132.5 -6.0 -15.4 -19.9 8 6 A T >> - 0 0 73 -2,-0.5 4,-1.3 1,-0.1 3,-0.5 -0.454 33.2-107.8 -76.4 155.7 -8.3 -12.4 -19.4 9 7 A Y H 3> S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.897 121.8 57.5 -50.9 -41.2 -7.3 -9.6 -17.1 10 8 A E H 3> S+ 0 0 102 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.824 95.6 63.2 -61.5 -37.8 -10.0 -10.8 -14.7 11 9 A D H <> S+ 0 0 39 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.959 107.0 43.6 -47.6 -55.2 -8.5 -14.3 -14.6 12 10 A Y H X S+ 0 0 3 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.902 113.5 52.7 -59.2 -43.8 -5.4 -12.7 -13.0 13 11 A K H X S+ 0 0 76 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.929 106.8 51.8 -55.7 -49.3 -7.6 -10.6 -10.7 14 12 A N H X S+ 0 0 84 -4,-3.5 4,-3.0 1,-0.2 5,-0.2 0.931 110.4 47.5 -57.5 -51.4 -9.6 -13.7 -9.5 15 13 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.907 114.9 46.9 -53.2 -48.5 -6.4 -15.6 -8.5 16 14 A A H X S+ 0 0 2 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.963 112.8 47.4 -61.0 -55.1 -5.0 -12.5 -6.7 17 15 A E H X S+ 0 0 102 -4,-3.1 4,-1.5 1,-0.2 5,-0.2 0.889 111.7 52.3 -53.2 -46.1 -8.3 -11.8 -4.8 18 16 A Y H X S+ 0 0 55 -4,-3.0 4,-1.4 -5,-0.3 3,-0.3 0.925 113.2 43.5 -55.8 -47.1 -8.6 -15.4 -3.8 19 17 A L H >X S+ 0 0 0 -4,-2.2 4,-0.6 -5,-0.2 3,-0.6 0.972 110.0 56.2 -65.7 -48.9 -5.1 -15.4 -2.5 20 18 A L H 3< S+ 0 0 47 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.712 111.4 42.7 -54.0 -30.9 -5.4 -12.0 -0.7 21 19 A S H 3< S+ 0 0 87 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.765 109.5 56.4 -87.5 -28.0 -8.5 -13.1 1.3 22 20 A H H << S+ 0 0 97 -4,-1.4 2,-0.3 -3,-0.6 -2,-0.2 0.388 114.9 34.8 -89.7 2.8 -7.2 -16.6 2.2 23 21 A T < - 0 0 7 -4,-0.6 25,-0.0 2,-0.1 0, 0.0 -0.976 63.7-145.7-146.2 155.4 -4.0 -15.3 3.9 24 22 A K + 0 0 203 -2,-0.3 2,-0.1 2,-0.0 -4,-0.1 0.423 69.9 111.7-100.3 -0.6 -3.2 -12.2 5.8 25 23 A H - 0 0 28 1,-0.0 -2,-0.1 55,-0.0 56,-0.0 -0.382 47.7-168.9 -67.7 150.0 0.2 -12.1 4.3 26 24 A R - 0 0 136 -2,-0.1 53,-0.1 47,-0.1 83,-0.1 -0.830 16.2-152.4-141.6 92.2 1.1 -9.2 1.9 27 25 A P - 0 0 7 0, 0.0 53,-0.2 0, 0.0 3,-0.1 -0.402 23.9-176.0 -77.6 148.8 4.3 -10.0 0.1 28 26 A Q S S+ 0 0 17 51,-1.8 83,-2.7 1,-0.2 84,-1.4 0.615 78.4 45.9 -97.8 -28.3 6.7 -7.4 -1.2 29 27 A V E -ab 80 112A 0 50,-1.9 52,-2.1 81,-0.2 2,-0.4 -0.934 64.0-163.5-122.0 134.7 9.0 -10.0 -2.7 30 28 A A E -ab 81 113A 0 82,-2.8 84,-2.8 -2,-0.4 2,-0.4 -0.938 9.0-166.3-112.8 144.7 8.3 -13.1 -4.8 31 29 A I E -ab 82 114A 5 50,-2.1 52,-2.6 -2,-0.4 2,-0.6 -0.993 10.0-149.6-133.8 124.0 10.9 -15.8 -5.3 32 30 A I E -ab 83 115A 2 82,-2.4 84,-1.8 -2,-0.4 2,-0.6 -0.848 15.0-144.3 -97.0 122.2 10.8 -18.6 -7.8 33 31 A C E -a 84 0A 0 50,-2.8 52,-0.8 -2,-0.6 3,-0.1 -0.745 16.2-154.8 -93.4 118.5 12.5 -21.8 -6.7 34 32 A G > - 0 0 1 -2,-0.6 3,-2.1 1,-0.2 2,-0.4 0.131 45.6 -42.3 -76.9-169.2 14.3 -23.8 -9.4 35 33 A S T 3 S+ 0 0 26 1,-0.3 -1,-0.2 83,-0.1 31,-0.1 -0.428 130.8 0.6 -65.0 116.0 15.2 -27.5 -9.7 36 34 A G T 3 S+ 0 0 22 29,-1.1 -1,-0.3 -2,-0.4 3,-0.2 0.568 107.3 99.1 86.7 12.1 16.5 -28.7 -6.3 37 35 A L X + 0 0 2 -3,-2.1 3,-2.2 28,-0.3 4,-0.2 0.222 39.4 109.6-114.0 9.1 16.0 -25.3 -4.7 38 36 A G G > + 0 0 16 27,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.753 66.5 74.8 -53.6 -25.4 12.7 -26.1 -3.0 39 37 A G G > S+ 0 0 33 1,-0.3 3,-1.5 -3,-0.2 4,-0.3 0.583 72.0 82.3 -66.4 -14.5 14.7 -26.1 0.2 40 38 A L G < S+ 0 0 8 -3,-2.2 3,-0.4 1,-0.2 -1,-0.3 0.651 79.5 66.8 -64.7 -15.6 14.8 -22.3 0.2 41 39 A T G X S+ 0 0 15 -3,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.560 80.9 84.2 -79.8 -4.9 11.3 -22.1 1.7 42 40 A D T < S+ 0 0 117 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.905 82.9 53.1 -65.2 -45.2 12.8 -23.6 4.9 43 41 A K T 3 S+ 0 0 127 -3,-0.4 33,-0.3 -4,-0.3 -1,-0.2 0.535 83.4 119.3 -71.3 -4.8 14.0 -20.4 6.5 44 42 A L < - 0 0 15 -3,-1.0 3,-0.4 31,-0.1 2,-0.3 -0.407 54.3-148.6 -62.8 132.1 10.5 -18.9 6.0 45 43 A T E S+C 74 0A 63 29,-2.6 29,-2.0 1,-0.2 -2,-0.0 -0.741 74.5 10.2-103.4 151.7 8.9 -17.8 9.3 46 44 A Q E S- 0 0 134 -2,-0.3 -1,-0.2 27,-0.2 26,-0.1 0.783 92.0-169.6 52.1 32.3 5.1 -17.9 10.0 47 45 A A E - 0 0 53 -3,-0.4 2,-0.4 27,-0.1 26,-0.2 -0.125 19.3-164.8 -57.0 137.7 4.7 -19.8 6.7 48 46 A Q E -C 72 0A 68 24,-1.5 24,-2.3 2,-0.0 2,-0.4 -0.998 13.8-151.3-124.8 129.6 1.3 -20.4 5.1 49 47 A I E -C 71 0A 91 -2,-0.4 2,-0.4 22,-0.2 22,-0.2 -0.831 14.8-176.3-108.8 129.2 1.3 -23.0 2.4 50 48 A F E -C 70 0A 7 20,-2.9 20,-2.7 -2,-0.4 2,-0.3 -0.969 23.5-134.0-113.9 138.9 -1.1 -23.3 -0.6 51 49 A D E >> -C 69 0A 69 -2,-0.4 3,-1.3 18,-0.2 4,-1.1 -0.730 22.0-123.9 -84.2 145.3 -0.9 -26.3 -3.0 52 50 A Y T 34 S+ 0 0 3 16,-2.8 3,-0.5 -2,-0.3 6,-0.3 0.879 110.7 64.6 -58.0 -36.2 -0.9 -25.2 -6.7 53 51 A S T 34 S+ 0 0 98 15,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.797 101.1 49.7 -56.9 -31.9 -4.0 -27.4 -7.2 54 52 A E T <4 S+ 0 0 101 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.814 91.2 88.5 -73.4 -36.5 -6.1 -25.2 -4.7 55 53 A I S >< S- 0 0 5 -4,-1.1 3,-1.3 -3,-0.5 -40,-0.1 -0.509 87.5-115.2 -72.9 124.4 -5.2 -21.9 -6.3 56 54 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.336 94.5 6.7 -61.2 137.9 -7.6 -21.0 -9.1 57 55 A N T 3 S+ 0 0 60 1,-0.2 43,-0.1 -4,-0.1 -4,-0.1 0.202 92.0 139.9 79.9 -15.0 -5.9 -20.8 -12.6 58 56 A F < - 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0 0 2 -54,-0.1 2,-0.3 -2,-0.1 -23,-0.3 -0.694 15.3-101.5-134.5-176.4 8.0 -23.7 -11.3 87 85 A F - 0 0 1 11,-0.4 2,-0.3 -2,-0.2 -26,-0.1 -0.879 28.2-159.9-116.2 146.5 6.6 -24.5 -14.8 88 86 A H > > - 0 0 6 -2,-0.3 3,-1.4 1,-0.1 5,-0.9 -0.934 27.2-127.5-127.1 149.6 8.5 -25.1 -18.0 89 87 A M G > 5S+ 0 0 2 132,-0.4 3,-2.0 -2,-0.3 635,-0.1 0.863 109.0 62.5 -62.8 -31.1 7.7 -24.9 -21.7 90 88 A Y G 3 5S+ 0 0 5 108,-0.4 634,-2.5 131,-0.3 -1,-0.3 0.680 89.5 69.1 -66.3 -18.2 9.0 -28.5 -22.2 91 89 A E G < 5S- 0 0 9 -3,-1.4 -1,-0.3 632,-0.2 -2,-0.2 0.750 127.1 -99.6 -68.9 -17.4 6.3 -29.7 -19.8 92 90 A G T < 5S+ 0 0 35 -3,-2.0 -3,-0.1 -4,-0.4 -2,-0.1 0.176 80.2 136.4 115.2 -10.8 3.9 -28.7 -22.6 93 91 A Y < - 0 0 36 -5,-0.9 -1,-0.4 1,-0.1 -2,-0.1 -0.432 53.4-126.1 -72.2 138.0 2.8 -25.4 -21.2 94 92 A P >> - 0 0 42 0, 0.0 4,-2.4 0, 0.0 3,-1.4 -0.430 33.3-105.9 -71.0 157.9 2.5 -22.3 -23.4 95 93 A L H 3> S+ 0 0 8 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.793 119.5 63.9 -61.2 -25.6 4.5 -19.3 -22.1 96 94 A Y H 34 S+ 0 0 71 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.815 110.0 40.1 -69.4 -24.8 1.3 -17.6 -20.9 97 95 A K H X4 S+ 0 0 77 -3,-1.4 3,-1.8 2,-0.2 -2,-0.2 0.917 111.3 55.6 -79.8 -49.6 0.9 -20.5 -18.5 98 96 A V H 3< S+ 0 0 7 -4,-2.4 -11,-0.4 1,-0.3 -2,-0.2 0.881 118.8 34.9 -47.5 -41.3 4.5 -20.8 -17.5 99 97 A T T >X S+ 0 0 5 -4,-2.2 3,-0.9 -5,-0.2 4,-0.8 0.338 83.6 110.6-101.4 4.9 4.5 -17.1 -16.6 100 98 A F H X> S+ 0 0 0 -3,-1.8 4,-1.2 1,-0.2 3,-0.8 0.884 74.1 56.3 -48.3 -49.4 1.0 -16.8 -15.2 101 99 A P H 3> S+ 0 0 2 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.858 93.4 69.3 -51.3 -38.8 2.1 -16.4 -11.5 102 100 A V H <> S+ 0 0 1 -3,-0.9 4,-1.7 1,-0.3 -2,-0.2 0.863 102.7 43.2 -52.6 -44.1 4.3 -13.3 -12.3 103 101 A R H S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 4,-0.5 0.929 107.4 51.3 -58.8 -44.0 2.3 -11.5 -7.9 106 104 A H H ><5S+ 0 0 64 -4,-1.7 3,-1.5 1,-0.3 -1,-0.2 0.927 109.1 49.0 -56.1 -51.4 2.1 -8.0 -9.3 107 105 A L H 3<5S+ 0 0 36 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.781 105.5 60.4 -60.1 -25.7 -1.6 -7.8 -8.5 108 106 A L H 3<5S- 0 0 10 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.598 125.9 -99.1 -77.9 -12.0 -0.8 -9.0 -4.9 109 107 A G T <<5S+ 0 0 49 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.420 72.3 149.5 105.9 1.8 1.4 -6.0 -4.3 110 108 A V < + 0 0 4 -5,-2.4 -1,-0.3 -6,-0.2 -81,-0.2 -0.445 19.0 175.9 -65.0 138.4 4.8 -7.6 -5.0 111 109 A D + 0 0 45 -83,-2.7 125,-2.4 1,-0.2 2,-0.4 0.413 61.3 53.5-121.7 -3.8 7.4 -5.2 -6.5 112 110 A T E -be 29 236A 0 -84,-1.4 -82,-2.8 123,-0.2 2,-0.5 -0.996 59.3-164.2-135.8 133.5 10.5 -7.5 -6.7 113 111 A L E -be 30 237A 0 123,-2.9 125,-2.4 -2,-0.4 2,-0.6 -0.966 1.3-166.3-116.0 124.6 11.0 -10.9 -8.3 114 112 A V E -be 31 238A 2 -84,-2.8 -82,-2.4 -2,-0.5 2,-0.5 -0.940 11.7-163.9-108.1 113.3 14.0 -13.1 -7.5 115 113 A V E -be 32 239A 0 123,-2.4 125,-2.0 -2,-0.6 2,-0.3 -0.854 8.0-175.2-100.7 130.5 14.3 -15.9 -10.0 116 114 A T E + e 0 240A 0 -84,-1.8 2,-0.3 -2,-0.5 125,-0.2 -0.845 7.3 162.7-118.8 155.9 16.4 -18.9 -9.2 117 115 A N E - 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