==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/RNA 26-JAN-07 2E9R . COMPND 2 MOLECULE: 5'-R(*CP*AP*UP*GP*GP*GP*CP*CP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.FERRER-ORTA,A.ARIAS,R.PEREZ-LUQUE,C.ESCARMIS,E.DOMINGO, . 475 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0.6 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 . 31 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 2 0 4 3 0 1 1 1 2 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 2 4 2 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 X G 0 0 1 0, 0.0 61,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 145.8 13.9 11.3 15.8 2 2 X L E -A 293 0A 89 291,-2.2 291,-3.6 59,-0.2 2,-0.5 -0.603 360.0-139.7 -76.6 133.8 12.2 8.5 13.8 3 3 X I E -A 292 0A 39 57,-0.4 289,-0.2 -2,-0.3 60,-0.0 -0.800 5.7-153.5 -87.5 123.8 8.6 8.8 13.1 4 4 X V - 0 0 64 287,-1.6 -1,-0.2 -2,-0.5 288,-0.1 0.985 68.6 -81.3 -47.8 -54.9 6.7 5.5 13.4 5 5 X D - 0 0 50 286,-0.6 -1,-0.1 -3,-0.1 287,-0.0 -0.101 50.6 -97.2 143.7 111.3 4.3 7.3 10.8 6 6 X T - 0 0 47 1,-0.1 284,-0.3 -2,-0.1 2,-0.2 -0.007 35.7-146.0 -39.3 142.5 1.6 9.9 11.8 7 7 X R E -B 289 0A 127 282,-2.5 282,-1.1 1,-0.0 2,-0.3 -0.503 15.7-106.0-104.5 172.3 -2.2 9.2 12.2 8 8 X D E -B 288 0A 144 280,-0.2 2,-0.3 -2,-0.2 280,-0.2 -0.682 35.5-177.2 -80.4 148.7 -5.6 10.8 11.6 9 9 X V - 0 0 48 278,-0.6 278,-0.0 -2,-0.3 0, 0.0 -0.991 31.1-135.6-145.7 152.8 -7.6 12.1 14.6 10 10 X E S S+ 0 0 198 -2,-0.3 -1,-0.1 2,-0.0 277,-0.1 0.899 87.7 78.3 -73.9 -39.7 -11.0 13.7 14.9 11 11 X E S S- 0 0 117 276,-0.1 2,-0.4 275,-0.1 -2,-0.1 -0.386 72.3-153.7 -65.5 150.2 -9.9 16.4 17.3 12 12 X R - 0 0 173 275,-0.1 2,-1.1 274,-0.0 275,-0.1 -0.931 3.5-147.8-136.4 109.6 -8.1 19.3 15.3 13 13 X V - 0 0 6 -2,-0.4 273,-0.6 275,-0.1 275,-0.1 -0.643 16.1-147.8 -90.8 97.7 -5.4 21.6 17.1 14 14 X H + 0 0 83 -2,-1.1 272,-0.1 1,-0.2 3,-0.1 -0.096 44.2 130.1 -56.2 153.9 -5.5 25.0 15.7 15 15 X V + 0 0 24 1,-0.1 -1,-0.2 24,-0.1 148,-0.1 -0.091 22.8 125.4-161.9 -65.7 -2.2 27.1 15.6 16 16 X M - 0 0 68 1,-0.1 24,-0.2 146,-0.0 -1,-0.1 0.344 47.0-176.3 -13.8 99.1 -1.7 28.5 12.0 17 17 X R - 0 0 64 22,-0.2 2,-0.3 -3,-0.1 22,-0.1 -0.157 31.2-125.3 -93.4-175.4 -1.3 32.1 13.0 18 18 X K - 0 0 81 20,-0.1 20,-0.1 -2,-0.1 147,-0.1 -0.969 51.4 -90.1-127.9 141.2 -0.8 35.3 11.2 19 19 X T - 0 0 49 -2,-0.3 19,-0.0 1,-0.2 20,-0.0 -0.156 23.0-159.2 -59.3 137.4 2.2 37.1 12.4 20 20 X K S S+ 0 0 133 2,-0.0 397,-0.7 396,-0.0 2,-0.2 0.474 71.5 100.0 -81.4 -8.4 1.8 39.6 15.3 21 21 X L E -E 416 0B 19 395,-0.2 395,-0.2 393,-0.1 393,-0.1 -0.573 54.1-178.1 -82.8 143.8 5.1 41.0 13.9 22 22 X A E -E 415 0B 41 393,-1.4 393,-1.9 -2,-0.2 -2,-0.0 -0.995 29.9 -92.9-147.0 144.7 5.1 44.1 11.7 23 23 X P E -E 414 0B 89 0, 0.0 2,-0.2 0, 0.0 391,-0.2 0.005 39.0-154.4 -43.7 155.0 7.3 46.5 9.7 24 24 X T >> - 0 0 18 389,-0.7 4,-0.8 390,-0.1 3,-0.7 -0.744 36.7 -94.3-124.6 175.9 8.7 49.7 11.4 25 25 X V H 3> S+ 0 0 70 1,-0.3 4,-0.5 -2,-0.2 388,-0.1 0.732 128.8 57.1 -62.8 -18.4 9.9 53.1 10.2 26 26 X A H >> S+ 0 0 0 386,-0.4 4,-2.0 1,-0.2 3,-0.7 0.816 91.1 74.4 -76.2 -30.5 13.4 51.4 10.2 27 27 X H H <> S+ 0 0 50 -3,-0.7 4,-2.0 1,-0.3 3,-0.2 0.891 94.8 45.6 -50.8 -54.6 12.1 48.8 7.9 28 28 X G H 3< S+ 0 0 53 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.725 114.0 50.9 -62.1 -26.7 12.0 50.9 4.8 29 29 X V H << S+ 0 0 91 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.835 117.5 34.8 -76.7 -36.3 15.5 52.4 5.5 30 30 X F H < S- 0 0 27 -4,-2.0 -2,-0.2 -3,-0.2 -3,-0.1 0.725 78.9-159.4 -96.9 -25.7 17.4 49.1 6.1 31 31 X N < - 0 0 122 -4,-2.0 2,-0.1 -5,-0.3 -3,-0.1 0.907 24.6-159.7 38.6 66.3 15.7 46.7 3.6 32 32 X P - 0 0 22 0, 0.0 2,-2.0 0, 0.0 -1,-0.1 -0.416 28.2-123.6 -79.3 146.1 16.9 43.7 5.5 33 33 X E S S+ 0 0 134 -2,-0.1 137,-1.0 373,-0.1 2,-0.3 -0.511 85.3 96.8 -84.8 70.1 17.1 40.1 4.0 34 34 X F E +F 169 0C 47 -2,-2.0 133,-0.1 135,-0.3 3,-0.0 -0.918 45.5 167.5-164.1 121.8 14.8 39.1 6.9 35 35 X G E -F 168 0C 3 133,-2.4 133,-1.9 -2,-0.3 3,-0.1 -0.948 44.0 -78.9-139.0 165.9 11.1 38.5 7.5 36 36 X P E -F 167 0C 8 0, 0.0 131,-0.3 0, 0.0 129,-0.1 -0.272 60.7-103.5 -47.5 141.8 8.6 37.0 9.9 37 37 X A - 0 0 1 129,-2.4 2,-0.4 127,-0.3 -18,-0.2 -0.107 42.6 -86.3 -66.1 170.2 8.5 33.2 9.5 38 38 X A + 0 0 0 135,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.671 40.7 176.7 -75.8 129.9 5.6 31.5 7.7 39 39 X L S S+ 0 0 5 -2,-0.4 -22,-0.2 1,-0.3 2,-0.2 -0.104 72.3 40.5-122.0 32.4 2.6 30.9 10.0 40 40 X S - 0 0 29 -24,-0.2 3,-0.4 3,-0.1 -1,-0.3 -0.683 66.7-142.1 175.6 113.8 0.6 29.5 7.1 41 41 X N S S+ 0 0 59 1,-0.2 9,-0.2 -2,-0.2 -3,-0.0 0.511 110.5 60.2 -59.6 -8.5 1.3 27.2 4.1 42 42 X K S S+ 0 0 73 9,-0.1 -1,-0.2 10,-0.0 -2,-0.0 0.817 73.3 117.2 -82.8 -47.5 -1.1 29.6 2.4 43 43 X D - 0 0 33 -3,-0.4 3,-0.1 1,-0.1 -3,-0.1 0.075 65.0-137.0 -14.8 110.0 1.1 32.8 3.1 44 44 X P S S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.934 90.8 65.3 -43.3 -76.1 2.0 34.1 -0.4 45 45 X R S S+ 0 0 97 3,-0.0 3,-0.1 2,-0.0 129,-0.1 0.666 80.7 101.3 -20.7 -69.2 5.8 35.0 -0.1 46 46 X L S S- 0 0 11 -3,-0.1 128,-0.2 1,-0.1 129,-0.1 0.264 92.3 -93.6 -4.8 127.5 6.6 31.4 0.4 47 47 X N - 0 0 86 127,-1.0 3,-0.2 2,-0.1 2,-0.2 -0.314 46.5-110.7 -48.4 141.6 8.0 29.6 -2.6 48 48 X E S S+ 0 0 201 1,-0.2 3,-0.1 -3,-0.1 -1,-0.1 -0.489 103.7 48.6 -75.4 155.8 5.1 27.9 -4.6 49 49 X G S S+ 0 0 70 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.892 87.7 122.4 70.2 43.5 5.2 24.1 -4.4 50 50 X V - 0 0 32 -3,-0.2 2,-0.9 -9,-0.2 -1,-0.2 -0.891 45.9-167.5-143.5 112.2 5.7 24.3 -0.6 51 51 X V >> - 0 0 63 -2,-0.4 3,-1.9 1,-0.2 4,-0.7 -0.873 17.3-151.7 -93.0 110.4 3.4 22.7 2.0 52 52 X L H 3> S+ 0 0 4 -2,-0.9 4,-1.2 1,-0.3 3,-0.5 0.836 92.2 64.2 -55.9 -31.6 4.6 24.4 5.1 53 53 X D H 34 S+ 0 0 54 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.629 93.1 65.1 -71.3 -10.5 3.6 21.3 7.1 54 54 X E H X4 S+ 0 0 106 -3,-1.9 3,-1.1 2,-0.1 -1,-0.2 0.930 101.8 43.4 -68.1 -51.2 6.2 19.1 5.3 55 55 X V H >< S+ 0 0 26 -4,-0.7 3,-3.7 -3,-0.5 4,-0.5 0.935 98.2 68.6 -76.4 -49.7 9.3 20.8 6.5 56 56 X I T 3< S+ 0 0 6 -4,-1.2 -1,-0.3 1,-0.3 3,-0.2 0.732 112.9 37.0 -28.7 -30.7 8.3 21.1 10.1 57 57 X F T X S+ 0 0 43 -3,-1.1 3,-0.6 -4,-0.2 -1,-0.3 0.224 93.0 86.5-117.8 13.8 8.7 17.3 10.0 58 58 X S T < S+ 0 0 66 -3,-3.7 -2,-0.2 1,-0.2 -1,-0.1 0.346 73.9 74.6 -90.7 0.0 11.7 17.0 7.7 59 59 X K T 3 S+ 0 0 50 -4,-0.5 2,-0.8 -3,-0.2 -1,-0.2 0.370 76.9 85.5 -87.4 1.1 14.0 17.3 10.7 60 60 X H < + 0 0 28 -3,-0.6 -57,-0.4 1,-0.1 -1,-0.2 -0.608 46.1 153.2-102.3 77.0 13.0 13.7 11.5 61 61 X K - 0 0 121 -2,-0.8 2,-0.3 1,-0.2 -59,-0.2 0.100 65.1 -82.5 -87.0 20.9 15.6 11.8 9.4 62 62 X G - 0 0 10 -61,-0.7 -1,-0.2 1,-0.1 0, 0.0 -0.837 45.6 -82.7 106.9-152.7 15.6 8.8 11.7 63 63 X D - 0 0 25 -2,-0.3 187,-0.1 -62,-0.2 -1,-0.1 -0.321 36.3-129.7-172.0 54.3 17.3 7.8 14.8 64 64 X T - 0 0 41 297,-0.1 187,-0.4 294,-0.1 2,-0.2 0.271 20.3-143.1 -14.6 115.4 20.8 6.4 14.7 65 65 X K - 0 0 131 185,-0.1 2,-0.5 184,-0.1 296,-0.1 -0.625 18.7-130.4 -87.0 158.2 21.0 3.2 16.8 66 66 X M - 0 0 15 -2,-0.2 5,-0.1 294,-0.1 294,-0.1 -0.938 12.7-115.5-120.4 127.2 24.3 2.7 18.6 67 67 X S > - 0 0 53 -2,-0.5 4,-1.5 1,-0.1 3,-0.5 0.047 33.2-110.4 -42.1 157.6 26.6 -0.2 18.7 68 68 X A H > S+ 0 0 77 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.891 118.2 50.7 -64.0 -35.9 26.9 -1.9 22.0 69 69 X E H > S+ 0 0 154 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.623 108.7 52.6 -76.2 -13.6 30.6 -0.7 22.4 70 70 X D H > S+ 0 0 21 -3,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.782 103.0 57.1 -87.7 -29.5 29.6 2.9 21.6 71 71 X K H X S+ 0 0 87 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.743 111.3 43.8 -68.6 -26.4 27.0 2.7 24.3 72 72 X A H X S+ 0 0 41 -4,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.846 112.9 49.6 -83.7 -45.4 29.8 1.9 26.8 73 73 X L H X S+ 0 0 17 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.967 116.3 44.4 -55.3 -49.1 32.1 4.5 25.4 74 74 X F H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 5,-0.2 0.914 109.9 55.7 -66.4 -41.4 29.2 7.0 25.7 75 75 X R H X S+ 0 0 84 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.937 108.0 48.3 -55.3 -47.0 28.2 5.7 29.2 76 76 X R H X S+ 0 0 133 -4,-2.5 4,-1.8 1,-0.2 3,-0.2 0.977 110.0 50.4 -59.0 -55.5 31.6 6.3 30.4 77 77 X C H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.806 111.8 49.1 -48.9 -37.4 31.9 9.9 29.0 78 78 X A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.875 111.3 47.7 -75.5 -40.9 28.5 10.8 30.6 79 79 X A H X S+ 0 0 34 -4,-2.3 4,-1.2 -3,-0.2 -2,-0.2 0.707 114.7 51.1 -65.9 -21.5 29.5 9.4 34.0 80 80 X D H X S+ 0 0 54 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.920 111.9 40.4 -86.3 -46.5 32.7 11.4 33.5 81 81 X Y H X S+ 0 0 3 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.861 116.2 56.0 -67.1 -30.9 31.3 14.7 32.7 82 82 X A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.834 104.1 51.7 -66.3 -35.9 28.7 13.8 35.4 83 83 X S H X S+ 0 0 74 -4,-1.2 4,-0.7 2,-0.2 -2,-0.2 0.946 114.8 43.2 -64.1 -48.0 31.6 13.3 37.9 84 84 X R H >X S+ 0 0 82 -4,-2.2 4,-2.3 2,-0.2 3,-0.6 0.920 112.1 53.9 -57.7 -49.6 32.8 16.7 36.9 85 85 X L H 3X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.3 5,-0.2 0.965 114.0 39.1 -54.3 -55.9 29.4 18.2 36.9 86 86 X H H 3X S+ 0 0 14 -4,-2.5 4,-0.9 1,-0.2 -1,-0.3 0.562 107.7 65.3 -77.6 -3.2 28.6 17.1 40.5 87 87 X S H << S+ 0 0 96 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.959 112.4 32.6 -78.9 -52.7 32.0 17.8 41.6 88 88 X V H < S+ 0 0 55 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.842 128.0 40.3 -67.7 -32.4 31.5 21.5 40.9 89 89 X L H < S- 0 0 12 -4,-2.3 3,-0.4 -5,-0.2 -3,-0.2 0.577 98.8-135.8 -98.9 -10.0 27.6 21.6 41.8 90 90 X G < - 0 0 30 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.1 -0.121 26.2 -84.9 73.2-175.5 27.5 19.3 44.9 91 91 X T S S+ 0 0 86 -4,-0.1 2,-1.1 175,-0.1 -1,-0.2 -0.165 81.1 121.0-127.1 30.0 24.9 16.7 45.4 92 92 X A + 0 0 67 -3,-0.4 174,-0.1 1,-0.1 175,-0.1 -0.736 27.2 137.1 -96.1 83.6 22.0 18.6 47.0 93 93 X N + 0 0 4 -2,-1.1 175,-0.2 173,-0.1 -1,-0.1 -0.198 20.4 152.8-127.8 39.4 19.4 17.8 44.5 94 94 X A - 0 0 46 1,-0.1 104,-0.3 173,-0.1 173,-0.1 -0.309 57.5 -77.6 -57.7 151.4 16.5 17.0 46.6 95 95 X P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 100,-0.2 -0.049 48.8-118.7 -49.3 153.4 13.0 17.6 45.1 96 96 X L - 0 0 5 98,-1.1 2,-0.5 95,-0.2 98,-0.1 -0.664 27.2-106.2 -98.8 149.8 11.8 21.1 44.9 97 97 X S >> - 0 0 68 -2,-0.3 3,-1.4 1,-0.1 4,-1.1 -0.693 23.8-121.8 -78.4 126.3 8.6 22.3 46.7 98 98 X I H 3> S+ 0 0 49 -2,-0.5 4,-1.2 1,-0.3 5,-0.3 0.820 118.7 63.0 -36.0 -38.9 5.7 22.9 44.5 99 99 X Y H 3> S+ 0 0 149 2,-0.2 4,-2.9 3,-0.1 3,-0.4 0.972 110.8 34.8 -50.4 -57.4 6.0 26.4 46.0 100 100 X E H <> S+ 0 0 56 -3,-1.4 4,-1.8 3,-0.2 -2,-0.2 0.961 108.7 62.6 -56.9 -59.3 9.6 26.8 44.3 101 101 X A H < S+ 0 0 0 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.804 121.1 28.6 -36.1 -34.5 8.8 24.9 41.1 102 102 X I H < S+ 0 0 1 -4,-1.2 9,-2.0 -5,-0.4 -1,-0.3 0.827 134.0 34.1 -93.0 -40.8 6.3 27.7 40.7 103 103 X K H < S- 0 0 38 -4,-2.9 7,-0.3 -5,-0.3 -3,-0.2 0.869 101.4-132.8 -90.1 -50.0 8.1 30.5 42.6 104 104 X G < - 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