==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-MAR-08 2VQ5 . COMPND 2 MOLECULE: S-NORCOCLAURINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THALICTRUM FLAVUM; . AUTHOR A.ILARI,S.FRANCESCHINI,A.BONAMORE,A.BOFFI . 328 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17394.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 35.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 34 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 4 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 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 0 0 1 6 0 0 2 0 0 3 1 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 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 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 19 A S 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.3 35.5 -9.0 -10.5 2 20 A Q - 0 0 161 220,-0.1 221,-2.1 1,-0.1 2,-0.5 -0.216 360.0-161.2 -63.1 133.2 31.9 -9.8 -9.4 3 21 A K E +A 222 0A 149 219,-0.2 2,-0.5 2,-0.0 219,-0.2 -0.968 10.8 178.5-118.2 117.3 29.1 -7.4 -10.3 4 22 A L E -A 221 0A 77 217,-2.7 217,-3.9 -2,-0.5 2,-0.5 -0.982 8.1-165.4-121.0 126.3 25.8 -7.7 -8.4 5 23 A I E -A 220 0A 81 -2,-0.5 2,-0.6 215,-0.3 215,-0.3 -0.945 0.8-165.6-114.3 123.8 22.9 -5.4 -9.1 6 24 A L E -A 219 0A 55 213,-3.0 213,-2.0 -2,-0.5 2,-0.6 -0.933 8.3-179.4-113.1 114.4 20.0 -5.1 -6.6 7 25 A T - 0 0 87 -2,-0.6 211,-0.2 211,-0.2 210,-0.1 -0.941 6.5-166.8-118.8 109.6 16.9 -3.4 -7.9 8 26 A G 0 0 49 -2,-0.6 209,-0.0 209,-0.5 211,-0.0 0.023 360.0 360.0 -72.0-171.5 14.0 -3.1 -5.5 9 27 A R 0 0 308 0, 0.0 -1,-0.1 0, 0.0 205,-0.1 -0.692 360.0 360.0-140.4 360.0 10.5 -2.1 -6.6 10 ! 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 11 34 A G > 0 0 71 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 107.0 1.6 15.3 -2.2 12 35 A I T 4 + 0 0 149 1,-0.2 4,-0.0 2,-0.2 0, 0.0 0.670 360.0 31.1 -68.6 -21.1 -1.1 16.2 -4.8 13 36 A I T >4 S+ 0 0 121 2,-0.1 3,-1.0 3,-0.1 4,-0.3 0.712 113.1 63.9-100.7 -35.5 -0.7 20.0 -4.0 14 37 A N G >4 S+ 0 0 114 1,-0.2 3,-0.8 2,-0.2 -2,-0.2 0.831 97.2 57.2 -54.2 -38.7 3.0 19.8 -3.1 15 38 A Q G 3< S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.2 -3,-0.1 0.684 113.2 38.7 -73.5 -19.9 3.9 18.7 -6.7 16 39 A V G < S+ 0 0 109 -3,-1.0 2,-2.1 -5,-0.2 -1,-0.2 0.262 83.1 110.1-109.7 9.8 2.3 21.9 -8.2 17 40 A S < + 0 0 61 -3,-0.8 2,-0.3 -4,-0.3 -1,-0.1 -0.495 57.8 125.0 -81.6 70.8 3.5 24.2 -5.4 18 41 A T - 0 0 38 -2,-2.1 2,-0.4 123,-0.2 123,-0.3 -0.809 59.7-128.6-126.9 162.7 5.9 25.9 -7.8 19 42 A V E -H 140 0B 47 121,-3.2 121,-2.5 -2,-0.3 2,-0.5 -0.909 28.5-127.5-106.5 144.5 6.9 29.3 -9.1 20 43 A T E -H 139 0B 71 -2,-0.4 2,-0.4 119,-0.2 119,-0.2 -0.801 25.4-174.1 -93.0 128.5 7.2 29.8 -12.9 21 44 A K E -H 138 0B 86 117,-2.9 117,-2.4 -2,-0.5 2,-0.4 -0.970 5.3-165.8-120.3 139.5 10.4 31.3 -14.4 22 45 A V E -H 137 0B 67 -2,-0.4 2,-0.4 115,-0.2 115,-0.2 -0.996 2.1-171.1-123.0 127.8 11.1 32.2 -18.0 23 46 A I E -H 136 0B 42 113,-2.2 113,-2.5 -2,-0.4 2,-0.4 -0.982 12.0-157.5-116.5 133.3 14.5 32.9 -19.4 24 47 A H E -H 135 0B 133 -2,-0.4 2,-0.4 111,-0.2 111,-0.2 -0.865 11.3-175.7-112.3 140.4 14.7 34.4 -22.9 25 48 A H E -H 134 0B 42 109,-2.6 109,-2.8 -2,-0.4 2,-0.4 -0.994 4.0-173.3-130.2 141.0 17.5 34.3 -25.5 26 49 A E E -H 133 0B 111 -2,-0.4 2,-0.5 107,-0.2 107,-0.2 -0.994 7.9-174.4-136.3 129.6 17.5 36.1 -28.8 27 50 A L E -H 132 0B 39 105,-1.8 105,-3.0 -2,-0.4 2,-0.5 -0.981 10.3-161.3-120.3 111.4 20.1 35.8 -31.6 28 51 A E E -H 131 0B 123 -2,-0.5 2,-0.3 103,-0.3 103,-0.2 -0.856 20.9-178.6 -92.4 128.0 19.5 38.2 -34.5 29 52 A V E -H 130 0B 16 101,-2.6 101,-1.8 -2,-0.5 2,-1.7 -0.932 40.0-114.0-134.2 152.4 21.4 37.0 -37.5 30 53 A A S S+ 0 0 81 -2,-0.3 2,-0.3 99,-0.2 99,-0.2 -0.325 86.1 90.0 -83.8 53.5 22.0 38.0 -41.1 31 54 A A S S- 0 0 8 -2,-1.7 -2,-0.2 99,-0.2 97,-0.1 -0.958 83.8 -91.1-140.5 157.4 20.2 35.0 -42.6 32 55 A S > - 0 0 24 -2,-0.3 4,-2.3 96,-0.2 5,-0.2 -0.352 25.8-124.9 -67.2 146.8 16.6 34.4 -43.6 33 56 A A H > S+ 0 0 2 96,-0.5 4,-3.3 93,-0.3 5,-0.2 0.912 115.0 55.3 -50.8 -43.7 14.0 32.9 -41.2 34 57 A D H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 107.6 46.6 -59.0 -48.1 13.4 30.3 -43.9 35 58 A D H > S+ 0 0 85 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.892 116.7 44.1 -62.3 -41.8 17.1 29.3 -44.0 36 59 A I H >X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-0.7 0.939 113.1 51.5 -69.9 -45.5 17.4 29.1 -40.3 37 60 A W H 3X S+ 0 0 14 -4,-3.3 4,-2.9 1,-0.2 5,-0.2 0.859 100.8 61.5 -58.3 -40.0 14.1 27.3 -39.8 38 61 A T H 3< S+ 0 0 56 -4,-2.1 -1,-0.2 1,-0.2 4,-0.2 0.803 107.0 45.9 -63.3 -28.2 15.0 24.5 -42.4 39 62 A V H X< S+ 0 0 24 -4,-0.8 3,-1.2 -3,-0.7 -1,-0.2 0.941 114.6 47.3 -73.6 -49.1 17.9 23.5 -40.2 40 63 A Y H 3< S+ 0 0 6 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.846 116.6 42.6 -59.5 -38.9 15.9 23.6 -37.0 41 64 A S T 3< S+ 0 0 29 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.382 84.5 120.0 -90.9 1.4 13.0 21.6 -38.5 42 65 A W X - 0 0 118 -3,-1.2 3,-2.2 -5,-0.2 4,-0.4 -0.583 57.8-149.2 -70.3 117.8 15.3 19.1 -40.3 43 66 A P G > S+ 0 0 74 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.813 97.5 60.0 -59.5 -29.2 14.5 15.6 -39.0 44 67 A G G 3> S+ 0 0 14 1,-0.2 4,-0.6 2,-0.1 3,-0.1 0.531 81.2 88.7 -72.1 -6.1 18.1 14.6 -39.6 45 68 A L G X4 S+ 0 0 10 -3,-2.2 3,-1.5 1,-0.2 4,-0.4 0.918 78.3 59.4 -60.5 -46.1 19.3 17.4 -37.2 46 69 A A G X4 S+ 0 0 5 -3,-0.5 3,-1.6 -4,-0.4 -1,-0.2 0.908 104.6 48.3 -50.8 -51.7 19.2 15.2 -34.1 47 70 A K G 34 S+ 0 0 147 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.641 111.7 53.1 -67.0 -12.2 21.7 12.6 -35.4 48 71 A H G XX S+ 0 0 69 -3,-1.5 4,-3.3 -4,-0.6 3,-0.7 0.331 75.8 101.0-103.7 4.8 24.0 15.4 -36.4 49 72 A L H <> S+ 0 0 6 -3,-1.6 4,-3.0 -4,-0.4 -1,-0.1 0.828 79.9 54.6 -56.9 -38.2 24.1 17.2 -33.1 50 73 A P H 34 S+ 0 0 54 0, 0.0 -1,-0.2 0, 0.0 5,-0.2 0.777 113.7 43.3 -66.2 -26.7 27.6 15.7 -32.3 51 74 A D H <4 S+ 0 0 110 -3,-0.7 -2,-0.2 3,-0.1 -3,-0.1 0.899 117.0 45.5 -77.6 -48.1 28.8 17.1 -35.6 52 75 A L H < S+ 0 0 30 -4,-3.3 -3,-0.2 1,-0.3 -1,-0.1 0.871 128.2 27.8 -60.4 -41.4 27.0 20.5 -35.0 53 76 A L S >< S- 0 0 30 -4,-3.0 3,-1.6 -5,-0.2 4,-0.4 -0.680 84.9-161.9-124.9 76.6 28.3 20.7 -31.4 54 77 A P T 3 S+ 0 0 105 0, 0.0 -3,-0.1 0, 0.0 -5,-0.0 -0.289 75.3 12.7 -64.2 138.9 31.6 18.8 -31.2 55 78 A G T 3 S+ 0 0 74 -5,-0.2 22,-0.2 2,-0.2 -4,-0.1 0.596 96.2 107.9 72.0 10.0 32.7 17.8 -27.6 56 79 A A S < S+ 0 0 28 -3,-1.6 21,-0.4 -6,-0.2 2,-0.4 0.863 74.1 47.7 -81.5 -37.4 29.2 18.6 -26.2 57 80 A F - 0 0 35 -4,-0.4 19,-0.2 19,-0.2 -2,-0.2 -0.849 46.4-170.1-115.0 141.4 28.2 14.9 -25.6 58 81 A E S S- 0 0 97 17,-2.8 2,-0.3 1,-0.4 18,-0.2 0.745 92.7 -2.0 -84.1 -32.7 29.8 11.9 -24.1 59 82 A K E -I 75 0B 133 16,-2.0 16,-2.9 2,-0.0 -1,-0.4 -0.966 64.4-166.5-159.0 140.7 26.8 9.9 -25.5 60 83 A L E -I 74 0B 38 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.988 3.0-168.5-136.7 127.2 23.7 10.7 -27.4 61 84 A E E -I 73 0B 101 12,-2.7 12,-2.8 -2,-0.4 2,-0.6 -0.958 4.3-162.3-115.9 128.8 20.7 8.4 -28.0 62 85 A I E -I 72 0B 57 -2,-0.5 2,-0.7 10,-0.2 10,-0.2 -0.953 2.6-167.5-111.9 118.4 18.0 9.2 -30.5 63 86 A I E +I 71 0B 76 8,-3.1 8,-2.3 -2,-0.6 2,-0.2 -0.916 59.1 5.7-108.3 107.5 14.8 7.4 -30.1 64 87 A G S S- 0 0 59 -2,-0.7 5,-0.1 6,-0.2 -2,-0.0 -0.672 102.3 -53.8 116.4-170.0 12.5 7.8 -33.1 65 88 A D S S- 0 0 132 -2,-0.2 -1,-0.1 3,-0.2 3,-0.1 0.380 73.5 -99.7 -93.4 1.7 12.8 9.4 -36.6 66 89 A G S S+ 0 0 8 1,-0.3 -20,-0.2 -3,-0.2 -21,-0.1 0.269 93.8 99.9 96.2 -11.4 13.9 13.0 -35.7 67 90 A G S > S- 0 0 19 1,-0.2 3,-1.9 -23,-0.0 -1,-0.3 -0.062 89.9 -41.5 -89.9-165.9 10.3 14.4 -36.0 68 91 A V T 3 S+ 0 0 85 1,-0.2 -1,-0.2 24,-0.1 22,-0.2 -0.360 129.5 35.3 -59.2 139.7 7.7 15.2 -33.3 69 92 A G T 3 S+ 0 0 39 20,-3.2 -1,-0.2 1,-0.3 21,-0.1 0.048 84.5 137.3 98.7 -23.9 7.7 12.4 -30.6 70 93 A T < - 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