==== 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 22-MAR-12 4EAR . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.M.HAAPALAINEN,M.C.HO,J.J.SUAREZ,S.C.ALMO,V.L.SCHRAMM . 855 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 583 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 12.9 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 0.4 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 . 64 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.0 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 3 0 6 1 2 0 0 0 0 0 0 0 0 0 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 4 A G 0 0 93 0, 0.0 2,-0.4 0, 0.0 91,-0.0 0.000 360.0 360.0 360.0-143.2 1.4 35.8 -30.0 2 5 A Y - 0 0 49 2,-0.0 2,-0.2 3,-0.0 90,-0.0 -0.758 360.0-141.2 -92.0 135.2 0.9 39.5 -30.1 3 6 A T >> - 0 0 68 -2,-0.4 4,-1.3 1,-0.1 3,-0.7 -0.488 31.9-105.9 -80.4 161.0 1.8 41.7 -27.0 4 7 A Y H 3> S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.870 123.5 58.4 -50.7 -38.4 -0.5 44.6 -26.1 5 8 A E H 3> S+ 0 0 103 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.829 97.8 59.8 -64.1 -36.3 2.3 46.9 -27.5 6 9 A D H <> S+ 0 0 39 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.917 107.7 44.7 -55.2 -47.4 2.1 45.1 -30.9 7 10 A Y H X S+ 0 0 9 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.940 115.4 48.2 -63.7 -45.9 -1.6 46.2 -31.2 8 11 A K H X S+ 0 0 81 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.908 107.9 54.8 -61.5 -44.2 -0.7 49.7 -30.0 9 12 A N H X S+ 0 0 86 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.916 110.9 45.2 -55.9 -45.3 2.3 50.0 -32.4 10 13 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.900 113.3 49.5 -67.0 -39.7 -0.0 49.2 -35.4 11 14 A A H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.920 111.8 49.4 -67.3 -40.4 -2.7 51.6 -34.1 12 15 A E H X S+ 0 0 96 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.884 107.4 54.8 -66.5 -37.7 -0.1 54.3 -33.7 13 16 A Y H X S+ 0 0 51 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.950 112.7 42.5 -56.7 -49.6 1.2 53.7 -37.2 14 17 A L H X S+ 0 0 1 -4,-2.2 4,-0.9 1,-0.2 3,-0.4 0.927 113.0 51.5 -66.5 -42.6 -2.2 54.2 -38.7 15 18 A L H < S+ 0 0 49 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.801 112.1 47.8 -65.4 -30.5 -3.0 57.2 -36.5 16 19 A S H < S+ 0 0 101 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.705 113.9 47.6 -75.9 -26.8 0.3 58.8 -37.6 17 20 A H H < S+ 0 0 94 -4,-1.3 2,-0.3 -3,-0.4 -2,-0.2 0.452 113.3 40.6-102.4 -2.8 -0.3 58.1 -41.3 18 21 A T < - 0 0 10 -4,-0.9 -1,-0.1 -3,-0.1 25,-0.0 -0.994 55.0-151.0-143.7 149.7 -3.8 59.3 -41.7 19 22 A K S S+ 0 0 202 -2,-0.3 -1,-0.1 -3,-0.0 -4,-0.1 0.590 70.2 109.6 -88.5 -13.8 -6.0 62.2 -40.5 20 23 A H - 0 0 28 1,-0.1 -2,-0.1 -3,-0.0 -3,-0.1 -0.332 50.1-167.9 -63.0 139.5 -9.1 59.9 -40.8 21 24 A R - 0 0 127 47,-0.1 53,-0.1 83,-0.0 -1,-0.1 -0.833 16.7-150.5-130.9 93.3 -10.5 58.9 -37.4 22 25 A P - 0 0 7 0, 0.0 53,-0.2 0, 0.0 3,-0.1 -0.300 25.3-177.2 -77.8 148.1 -13.0 56.1 -38.0 23 26 A Q S S+ 0 0 16 51,-2.8 83,-2.8 1,-0.3 84,-1.4 0.714 76.8 41.4 -98.1 -34.9 -16.1 55.4 -35.9 24 27 A V E -ab 75 107A 0 50,-1.8 52,-2.1 81,-0.2 2,-0.4 -0.959 64.9-158.5-118.8 132.8 -17.2 52.3 -37.8 25 28 A A E -ab 76 108A 0 82,-2.6 84,-2.9 -2,-0.4 2,-0.4 -0.903 9.6-164.9-104.7 140.2 -15.1 49.4 -39.1 26 29 A I E -ab 77 109A 0 50,-2.5 52,-2.6 -2,-0.4 2,-0.7 -0.992 7.6-154.4-126.4 125.2 -16.4 47.2 -41.9 27 30 A I E -ab 78 110A 1 82,-2.6 84,-1.8 -2,-0.4 2,-0.6 -0.896 13.4-151.4-101.7 115.3 -15.0 43.8 -42.8 28 31 A C E -a 79 0A 0 50,-2.9 52,-1.0 -2,-0.7 3,-0.1 -0.789 14.4-157.6 -90.4 121.8 -15.7 42.9 -46.5 29 32 A G > - 0 0 0 -2,-0.6 3,-2.4 1,-0.2 4,-0.2 0.145 44.7 -29.1 -82.4-166.7 -15.9 39.2 -47.3 30 33 A S T 3 S- 0 0 26 1,-0.3 -1,-0.2 2,-0.1 31,-0.1 -0.306 130.8 -7.3 -55.8 114.9 -15.5 37.0 -50.3 31 34 A G T 3 S+ 0 0 23 29,-1.2 -1,-0.3 -2,-0.2 3,-0.2 0.589 109.7 100.3 73.8 15.6 -16.5 39.0 -53.4 32 35 A L X + 0 0 3 -3,-2.4 3,-1.9 28,-0.4 -2,-0.1 0.178 38.6 110.2-113.9 13.0 -17.8 42.0 -51.4 33 36 A G G > + 0 0 16 27,-0.3 3,-1.8 1,-0.3 4,-0.2 0.723 62.0 79.8 -61.8 -21.5 -14.7 44.2 -51.8 34 37 A G G > + 0 0 35 1,-0.3 3,-2.0 -3,-0.2 4,-0.3 0.676 69.0 83.4 -58.3 -19.8 -16.9 46.5 -54.0 35 38 A L G X S+ 0 0 10 -3,-1.9 3,-0.5 1,-0.3 -1,-0.3 0.702 81.1 64.2 -59.6 -18.8 -18.3 48.0 -50.8 36 39 A T G X S+ 0 0 15 -3,-1.8 3,-2.1 1,-0.2 -1,-0.3 0.711 79.8 85.5 -75.8 -17.2 -15.3 50.3 -50.7 37 40 A D G < S+ 0 0 105 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.795 85.6 51.9 -56.7 -36.6 -16.4 52.0 -54.0 38 41 A K G < S+ 0 0 113 -3,-0.5 33,-0.4 -4,-0.3 -1,-0.3 0.358 80.5 119.3 -87.2 7.9 -18.7 54.5 -52.3 39 42 A L < - 0 0 16 -3,-2.1 3,-0.4 31,-0.1 2,-0.3 -0.513 53.6-147.0 -69.6 139.4 -16.1 55.8 -49.8 40 43 A T E S+C 69 0A 74 29,-2.5 29,-2.2 1,-0.2 3,-0.1 -0.829 77.1 13.8-106.6 152.0 -15.3 59.5 -50.2 41 44 A Q E S- 0 0 143 -2,-0.3 -1,-0.2 27,-0.2 2,-0.1 0.910 93.3-166.8 51.4 46.6 -11.9 61.1 -49.5 42 45 A A E - 0 0 57 -3,-0.4 2,-0.4 26,-0.1 26,-0.2 -0.354 18.5-168.8 -69.4 136.9 -10.6 57.5 -49.5 43 46 A Q E -C 67 0A 65 24,-2.7 24,-2.7 -3,-0.1 2,-0.4 -0.982 12.3-153.2-126.7 126.2 -7.2 56.8 -48.3 44 47 A I E -C 66 0A 80 -2,-0.4 2,-0.4 22,-0.2 22,-0.2 -0.765 14.3-175.6-105.0 131.7 -5.8 53.3 -49.0 45 48 A F E -C 65 0A 4 20,-3.0 20,-3.6 -2,-0.4 2,-0.3 -0.999 23.9-135.1-115.7 129.6 -3.2 51.2 -47.1 46 49 A D E >> -C 64 0A 72 -2,-0.4 3,-1.9 18,-0.2 4,-0.5 -0.629 23.1-123.9 -71.6 140.9 -2.1 47.9 -48.5 47 50 A Y G >4 S+ 0 0 4 16,-2.8 3,-1.5 -2,-0.3 6,-0.3 0.861 109.8 65.9 -55.8 -33.9 -2.0 45.3 -45.7 48 51 A S G 34 S+ 0 0 69 15,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.711 99.1 50.7 -62.5 -23.2 1.6 44.7 -46.5 49 52 A E G <4 S+ 0 0 91 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.504 92.6 88.9 -90.8 -5.7 2.6 48.3 -45.5 50 53 A I S X< S- 0 0 6 -3,-1.5 3,-1.9 -4,-0.5 -40,-0.1 -0.817 87.5-113.7 -98.7 120.6 0.8 48.0 -42.1 51 54 A P T 3 S+ 0 0 51 0, 0.0 -2,-0.1 0, 0.0 -38,-0.1 -0.223 94.8 2.8 -55.4 137.3 3.0 46.6 -39.3 52 55 A N T 3 S+ 0 0 57 1,-0.2 43,-0.1 -4,-0.1 -4,-0.1 0.270 92.9 138.8 71.4 -4.2 1.8 43.2 -38.0 53 56 A F < - 0 0 18 -3,-1.9 -1,-0.2 -6,-0.3 -3,-0.1 -0.497 48.8-131.8 -72.4 132.6 -1.0 42.9 -40.5 54 57 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.202 24.4-108.4 -66.1 173.5 -1.5 39.5 -42.0 55 58 A R - 0 0 161 -7,-0.1 2,-0.7 -8,-0.0 8,-0.1 -0.850 16.8-126.7-108.5 141.4 -1.9 39.0 -45.8 56 59 A S + 0 0 24 -2,-0.4 26,-0.1 1,-0.1 5,-0.1 -0.790 30.3 172.6 -84.1 117.4 -5.1 38.1 -47.7 57 60 A T + 0 0 85 -2,-0.7 -1,-0.1 2,-0.1 25,-0.1 0.431 46.6 95.3-103.9 -0.9 -4.3 35.0 -49.9 58 61 A V S > S- 0 0 5 23,-0.3 3,-1.2 1,-0.1 23,-0.1 -0.765 80.7-109.7 -99.9 134.1 -7.7 34.2 -51.1 59 62 A P T 3 S+ 0 0 59 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.287 106.8 37.2 -56.6 142.6 -9.2 35.4 -54.4 60 63 A G T 3 S+ 0 0 35 -30,-0.1 -29,-1.2 1,-0.1 2,-0.4 0.534 95.4 99.4 84.9 8.2 -11.9 38.0 -53.9 61 64 A H < - 0 0 13 -3,-1.2 19,-0.2 -31,-0.1 -1,-0.1 -0.908 55.2-168.1-126.1 102.0 -9.9 39.5 -51.0 62 65 A A - 0 0 61 -2,-0.4 18,-0.2 2,-0.1 -1,-0.1 0.792 28.3-131.8 -65.7 -31.8 -8.0 42.6 -52.2 63 66 A G + 0 0 13 16,-2.1 -16,-2.8 1,-0.3 -15,-0.4 0.872 59.4 124.5 82.7 39.6 -5.8 42.9 -49.1 64 67 A R E -CD 46 79A 94 15,-1.6 15,-3.1 -18,-0.3 2,-0.5 -0.979 53.2-142.3-135.6 146.0 -6.2 46.7 -48.4 65 68 A L E -CD 45 78A 0 -20,-3.6 -20,-3.0 -2,-0.3 2,-0.5 -0.924 24.8-167.2-105.6 121.6 -7.4 48.9 -45.5 66 69 A V E -CD 44 77A 6 11,-2.7 11,-2.7 -2,-0.5 2,-0.4 -0.959 7.7-166.4-122.4 120.1 -9.4 51.9 -46.8 67 70 A F E +CD 43 76A 1 -24,-2.7 -24,-2.7 -2,-0.5 2,-0.3 -0.789 35.3 107.9 -97.3 140.4 -10.3 54.9 -44.7 68 71 A G E - D 0 75A 0 7,-2.0 7,-3.0 -2,-0.4 2,-0.4 -0.978 65.8 -69.2 179.3-166.6 -13.0 57.3 -45.8 69 72 A F E -CD 40 74A 60 -29,-2.2 -29,-2.5 -2,-0.3 2,-0.5 -0.904 34.7-166.7-110.5 134.9 -16.5 58.6 -45.4 70 73 A L E > S- D 0 73A 9 3,-2.6 3,-1.8 -2,-0.4 -31,-0.1 -0.975 82.2 -15.4-125.7 113.2 -19.5 56.4 -46.2 71 74 A N T 3 S- 0 0 96 -2,-0.5 -1,-0.2 -33,-0.4 3,-0.1 0.966 132.6 -53.6 53.2 51.0 -22.8 58.1 -46.4 72 75 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.353 114.2 125.7 66.5 -1.1 -21.0 61.0 -44.6 73 76 A R E < - D 0 70A 36 -3,-1.8 -3,-2.6 1,-0.1 2,-0.6 -0.722 68.2-115.3 -99.2 137.0 -19.8 58.5 -41.8 74 77 A A E + D 0 69A 22 -2,-0.4 -51,-2.8 -5,-0.2 -50,-1.8 -0.531 50.9 168.1 -74.7 111.9 -16.2 58.1 -40.8 75 78 A C E -aD 24 68A 1 -7,-3.0 -7,-2.0 -2,-0.6 2,-0.4 -0.849 33.6-155.4-126.1 155.7 -15.3 54.4 -41.7 76 79 A V E -aD 25 67A 0 -52,-2.1 -50,-2.5 -2,-0.3 2,-0.5 -0.996 22.2-160.4-128.8 132.3 -12.4 52.1 -42.0 77 80 A M E -aD 26 66A 0 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.9 -0.964 17.9-146.8-122.8 125.4 -12.9 49.1 -44.3 78 81 A M E -aD 27 65A 2 -52,-2.6 -50,-2.9 -2,-0.5 2,-1.5 -0.797 14.2-161.0 -83.2 104.7 -11.0 45.8 -44.6 79 82 A Q E S+aD 28 64A 29 -15,-3.1 -16,-2.1 -2,-0.9 -15,-1.6 -0.748 75.6 5.5 -87.5 86.6 -11.2 45.1 -48.3 80 83 A G S S- 0 0 1 -2,-1.5 2,-0.2 -52,-1.0 -52,-0.2 -0.077 77.4-147.0 107.4 146.2 -10.4 41.4 -47.8 81 84 A R - 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0 0 3 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.489 48.6-116.9 -72.6 147.4 -17.7 47.2 -29.8 231 234 A R E -e 107 0A 63 -125,-2.4 -123,-3.1 -2,-0.2 2,-0.4 -0.674 39.4-151.9 -77.7 135.8 -21.3 47.2 -31.1 232 235 A V E +ei 108 163A 1 -70,-0.5 -68,-2.9 -2,-0.3 2,-0.4 -0.960 23.5 175.2-122.7 135.2 -21.6 44.5 -33.7 233 236 A F E -e 109 0A 3 -125,-2.4 -123,-2.8 -2,-0.4 2,-0.3 -0.999 12.8-175.5-132.8 138.0 -23.7 44.0 -36.7 234 237 A G E +e 110 0A 1 -105,-0.4 -105,-2.5 -2,-0.4 2,-0.3 -0.962 9.2 174.3-133.2 149.9 -23.4 41.2 -39.2 235 238 A F E -eG 111 128A 0 -125,-1.9 -123,-1.3 -2,-0.3 2,-0.4 -0.987 15.0-147.0-150.0 151.2 -24.8 40.0 -42.5 236 239 A S E -eG 112 127A 0 -109,-2.8 -109,-3.0 -2,-0.3 2,-0.6 -0.908 11.5-141.1-111.1 140.5 -24.3 37.3 -45.1 237 240 A L E -eG 113 126A 0 -125,-2.9 -123,-2.3 -2,-0.4 2,-0.9 -0.915 25.8-134.3 -89.4 120.8 -24.8 37.3 -48.8 238 241 A I E +e 114 0A 0 -113,-2.9 -114,-3.4 -2,-0.6 -113,-0.3 -0.668 33.8 170.2 -78.3 108.1 -26.2 33.8 -49.7 239 242 A T E + 0 0 1 -125,-2.1 2,-0.3 -2,-0.9 -1,-0.2 0.521 59.4 4.1-101.1 -11.1 -24.1 32.9 -52.7 240 243 A N E -e 115 0A 8 -126,-0.7 -124,-3.1 -118,-0.1 2,-0.6 -0.968 69.8-111.5-165.8 160.0 -25.1 29.3 -53.1 241 244 A K E -e 116 0A 95 -2,-0.3 -124,-0.1 -126,-0.2 3,-0.1 -0.919 42.4-116.6-103.3 122.0 -27.5 26.7 -51.7 242 245 A V - 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0 0 41 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.236 20.5-123.3 -57.2 145.7 -12.8 1.5 -64.3 853 284 C L - 0 0 122 1,-0.1 4,-0.1 2,-0.1 0, 0.0 -0.564 38.7 -92.8 -79.2 153.5 -9.7 1.0 -66.3 854 285 C P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -259,-0.0 -0.292 37.4-109.8 -61.9 157.3 -8.0 4.2 -67.4 855 286 C D S S+ 0 0 167 1,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.907 103.5 27.7 -55.8 -44.0 -9.1 5.4 -70.9 856 287 C K 0 0 178 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.925 360.0 360.0-121.8 144.5 -5.7 4.5 -72.4 857 288 C A 0 0 156 -2,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.669 360.0 360.0 -79.6 360.0 -3.2 1.8 -71.3