==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/RNA BINDING PROTEIN/RNA 24-FEB-10 3LWP . COMPND 2 MOLECULE: PSEUDOURIDINE SYNTHASE CBF5; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR J.ZHOU,B.LIANG,C.LV,W.YANG,H.LI . 490 4 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 20.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 33 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 3 1 3 1 0 1 3 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 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 PARALLEL BRIDGES PER LADDER . 1 5 3 2 3 1 0 2 1 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 1 1 0 0 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 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 11 A R 0 0 196 0, 0.0 2,-0.5 0, 0.0 140,-0.1 0.000 360.0 360.0 360.0 16.9 39.7 9.5 -1.9 2 12 A I - 0 0 101 138,-0.2 155,-0.1 155,-0.1 5,-0.0 -0.775 360.0-177.2-100.3 121.9 36.5 11.4 -2.4 3 13 A L > - 0 0 2 -2,-0.5 3,-2.5 1,-0.1 4,-0.4 -0.829 41.8-111.4-108.9 152.7 33.7 11.5 0.1 4 14 A P G > S+ 0 0 65 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.778 118.2 64.9 -53.7 -27.9 30.4 13.4 -0.5 5 15 A A G 3 S+ 0 0 27 1,-0.2 -3,-0.0 185,-0.0 94,-0.0 0.748 92.1 65.5 -61.1 -26.3 31.5 15.8 2.3 6 16 A D G < + 0 0 53 -3,-2.5 -1,-0.2 2,-0.1 -4,-0.0 0.664 69.1 122.7 -76.8 -15.7 34.4 16.8 0.0 7 17 A I < - 0 0 96 -3,-1.1 2,-0.3 -4,-0.4 -4,-0.0 -0.166 64.1-125.4 -50.2 136.6 32.2 18.4 -2.6 8 18 A K - 0 0 205 1,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.650 25.9-148.8 -84.7 139.2 33.2 22.0 -3.1 9 19 A R - 0 0 74 -2,-0.3 2,-0.4 253,-0.0 255,-0.1 -0.821 5.3-132.9-112.3 155.8 30.4 24.5 -2.8 10 20 A E - 0 0 142 -2,-0.3 253,-3.1 253,-0.1 2,-0.7 -0.882 18.6-131.9-106.0 133.5 29.8 27.9 -4.5 11 21 A V E -A 262 0A 68 -2,-0.4 2,-0.5 251,-0.2 251,-0.2 -0.772 16.3-159.8 -86.6 111.2 28.7 30.9 -2.4 12 22 A L E -A 261 0A 38 249,-2.7 249,-2.8 -2,-0.7 2,-0.5 -0.803 13.4-140.8 -87.5 128.5 25.8 32.8 -3.9 13 23 A I E +A 260 0A 93 -2,-0.5 247,-0.3 247,-0.2 3,-0.2 -0.783 25.2 172.5 -91.8 125.0 25.6 36.4 -2.5 14 24 A K S S+ 0 0 41 245,-2.3 2,-0.5 -2,-0.5 246,-0.2 0.838 75.0 28.3 -98.3 -42.3 22.1 37.7 -1.8 15 25 A D > - 0 0 44 244,-2.2 3,-1.7 1,-0.1 -1,-0.2 -0.806 61.9-173.2-125.2 89.7 22.7 41.1 -0.1 16 26 A E T 3 S+ 0 0 142 -2,-0.5 -1,-0.1 1,-0.3 243,-0.0 0.712 83.3 56.1 -48.1 -28.1 26.0 42.7 -1.3 17 27 A N T 3 S+ 0 0 124 2,-0.0 -1,-0.3 242,-0.0 242,-0.0 0.605 75.8 119.4 -89.7 -11.7 25.7 45.5 1.3 18 28 A A < + 0 0 34 -3,-1.7 2,-0.3 241,-0.1 -3,-0.0 -0.234 35.9 173.4 -57.1 135.4 25.4 43.4 4.5 19 29 A E - 0 0 169 2,-0.0 222,-0.4 0, 0.0 2,-0.4 -0.913 26.5-119.8-135.9 166.0 28.2 44.0 7.0 20 30 A T - 0 0 43 -2,-0.3 220,-0.0 256,-0.1 255,-0.0 -0.885 17.7-125.3-113.1 142.5 28.7 42.7 10.6 21 31 A N > - 0 0 44 -2,-0.4 3,-1.9 1,-0.1 -2,-0.0 -0.759 15.7-150.1 -83.4 111.4 29.0 44.8 13.7 22 32 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.432 89.2 70.4 -63.6 1.1 32.2 43.8 15.4 23 33 A D T 3 S+ 0 0 135 3,-0.0 2,-0.3 0, 0.0 -2,-0.0 0.605 88.7 72.3 -93.6 -13.9 30.7 44.6 18.8 24 34 A W S < S- 0 0 70 -3,-1.9 290,-0.2 291,-0.0 289,-0.1 -0.788 89.6 -0.1-107.6 144.9 28.3 41.7 18.8 25 35 A G S S- 0 0 3 288,-1.8 289,-0.0 -2,-0.3 288,-0.0 0.093 73.8 -93.4 76.5 170.7 28.9 38.0 19.3 26 36 A F - 0 0 63 5,-0.0 -1,-0.1 6,-0.0 5,-0.1 -0.868 29.6-155.3-129.9 98.8 32.1 36.0 19.8 27 37 A P > - 0 0 32 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.456 45.4 -89.7 -60.3 144.6 33.8 34.6 16.7 28 38 A P G > S+ 0 0 29 0, 0.0 3,-1.3 0, 0.0 2,-0.2 0.692 124.3 45.3 -27.6 -57.2 35.9 31.5 17.6 29 39 A E G 3 S+ 0 0 138 1,-0.3 7,-0.0 197,-0.0 -3,-0.0 -0.102 106.8 58.4 -93.4 38.6 39.2 33.3 18.3 30 40 A K G < S+ 0 0 85 -3,-1.6 -1,-0.3 -2,-0.2 6,-0.0 0.147 82.8 112.0-136.1 1.0 37.7 36.0 20.4 31 41 A R S < S- 0 0 2 -3,-1.3 5,-0.1 -4,-0.3 2,-0.0 -0.673 72.7-123.8 -81.3 122.3 36.3 33.4 22.8 32 42 A P >> - 0 0 65 0, 0.0 4,-2.1 0, 0.0 3,-1.2 -0.405 35.7-103.6 -60.8 144.8 37.7 33.4 26.3 33 43 A I H 3> S+ 0 0 3 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.819 121.4 52.2 -42.0 -42.4 39.1 29.9 27.0 34 44 A E H 3> S+ 0 0 117 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.914 111.5 45.4 -64.6 -40.8 36.1 29.0 29.3 35 45 A M H <> S+ 0 0 36 -3,-1.2 4,-0.8 1,-0.2 -1,-0.2 0.806 107.9 59.8 -69.1 -31.0 33.6 30.0 26.6 36 46 A H H < S+ 0 0 2 -4,-2.1 3,-0.4 2,-0.2 -2,-0.2 0.893 107.1 45.8 -63.4 -42.9 35.7 28.1 24.1 37 47 A I H >< S+ 0 0 16 -4,-2.0 3,-2.4 1,-0.2 52,-0.2 0.940 105.3 59.6 -61.9 -53.5 35.2 24.8 26.0 38 48 A Q H 3< S+ 0 0 64 -4,-2.0 50,-1.2 1,-0.3 51,-0.5 0.706 119.9 29.7 -45.7 -27.2 31.5 25.4 26.5 39 49 A F T 3< S+ 0 0 11 -4,-0.8 188,-2.3 -3,-0.4 -1,-0.3 -0.156 102.7 123.8-129.4 35.8 31.2 25.4 22.7 40 50 A G E < -G 226 0B 0 -3,-2.4 46,-3.3 186,-0.2 2,-0.4 -0.626 42.1-162.0-107.7 158.2 34.1 23.1 21.9 41 51 A V E -GH 225 85B 0 184,-2.3 184,-2.9 44,-0.2 2,-0.5 -0.998 14.5-144.2-135.4 134.0 34.6 19.8 20.1 42 52 A I E - H 0 84B 0 42,-2.8 42,-3.0 -2,-0.4 2,-1.4 -0.872 7.0-148.1-105.0 133.8 37.6 17.5 20.5 43 53 A N E - H 0 83B 0 -2,-0.5 156,-2.3 154,-0.5 2,-0.3 -0.665 35.7-168.3 -92.8 76.5 39.1 15.6 17.6 44 54 A L E -iH 199 82B 0 -2,-1.4 38,-3.1 38,-1.4 2,-1.0 -0.541 25.5-144.7 -82.2 131.7 40.1 12.7 19.9 45 55 A D E - H 0 81B 16 154,-2.2 156,-0.4 -2,-0.3 36,-0.2 -0.805 27.9-146.7 -83.1 94.3 42.5 9.9 18.8 46 56 A K E - H 0 80B 0 34,-2.5 34,-1.5 -2,-1.0 6,-0.1 -0.415 9.1-133.4 -63.4 132.6 40.9 7.0 20.7 47 57 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 31,-0.1 -0.459 26.7 -98.5 -79.6 159.3 43.3 4.3 21.9 48 58 A P S S+ 0 0 2 0, 0.0 29,-0.3 0, 0.0 31,-0.1 -0.628 99.7 45.6 -68.7 136.9 42.7 0.6 21.5 49 59 A G S S+ 0 0 40 27,-3.9 29,-0.1 1,-0.3 28,-0.1 -0.701 89.6 67.8 137.4 -79.8 41.3 -0.9 24.7 50 60 A P S S- 0 0 17 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.272 82.5-104.8 -71.0 156.3 38.5 1.1 26.4 51 61 A T > - 0 0 52 1,-0.1 4,-2.0 -3,-0.1 5,-0.1 -0.371 30.6-109.8 -73.2 164.9 35.0 1.6 24.9 52 62 A S H > S+ 0 0 0 22,-0.8 4,-1.6 1,-0.2 5,-0.2 0.937 120.0 53.4 -57.2 -46.4 34.0 4.9 23.3 53 63 A H H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.869 107.8 48.6 -58.7 -40.7 31.7 5.5 26.2 54 64 A E H > S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.927 106.0 57.4 -65.2 -42.7 34.3 4.9 28.9 55 65 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.885 108.1 47.8 -54.2 -41.9 36.8 7.3 27.1 56 66 A V H X S+ 0 0 10 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.858 106.8 54.9 -72.9 -35.3 34.2 10.0 27.4 57 67 A A H X S+ 0 0 54 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.894 108.2 51.8 -64.0 -36.2 33.5 9.4 31.0 58 68 A W H X S+ 0 0 43 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.972 108.8 49.2 -58.4 -57.2 37.2 9.8 31.6 59 69 A I H X S+ 0 0 4 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.879 112.1 49.7 -46.7 -47.9 37.3 13.1 29.7 60 70 A K H X>S+ 0 0 71 -4,-2.5 5,-1.9 2,-0.2 4,-0.8 0.919 113.5 44.0 -63.7 -43.5 34.3 14.3 31.8 61 71 A K H <5S+ 0 0 120 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.944 118.9 42.6 -70.1 -39.8 35.8 13.4 35.1 62 72 A I H <5S+ 0 0 20 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.724 120.8 39.3 -81.0 -21.4 39.3 14.8 34.4 63 73 A L H <5S- 0 0 12 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.399 107.2-121.8-104.7 -1.3 38.2 18.0 32.7 64 74 A N T <5 + 0 0 123 -4,-0.8 2,-0.4 -3,-0.4 -3,-0.2 0.966 54.2 159.8 56.5 57.6 35.3 18.6 35.1 65 75 A L < - 0 0 23 -5,-1.9 -1,-0.2 -6,-0.2 3,-0.1 -0.842 40.0-154.6-107.7 148.5 32.6 18.7 32.5 66 76 A E S S+ 0 0 173 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.820 80.0 18.9 -80.1 -35.9 28.9 18.1 33.1 67 77 A K + 0 0 106 -7,-0.1 20,-2.2 2,-0.0 2,-0.3 -0.972 58.1 149.8-146.1 146.7 28.2 16.9 29.6 68 78 A A E -J 86 0B 17 -2,-0.3 2,-0.3 18,-0.3 18,-0.2 -0.890 15.7-166.4-173.8 147.4 29.9 15.5 26.5 69 79 A G E -J 85 0B 19 16,-2.1 16,-2.5 -2,-0.3 2,-0.2 -0.998 11.1-142.3-146.3 135.9 28.9 13.2 23.7 70 80 A H E -J 84 0B 30 -2,-0.3 14,-0.2 14,-0.2 3,-0.2 -0.565 14.0-131.9 -93.9 162.7 30.9 11.3 21.0 71 81 A G S S+ 0 0 1 12,-1.6 -1,-0.1 1,-0.2 3,-0.1 0.085 77.2 9.7 -81.5-152.2 29.9 10.7 17.4 72 82 A G S S- 0 0 14 1,-0.2 2,-0.5 21,-0.1 -1,-0.2 0.089 84.9-119.5 -26.2 107.4 30.2 7.3 15.7 73 83 A T - 0 0 84 -3,-0.2 2,-0.3 9,-0.1 -1,-0.2 -0.436 25.8-151.6 -61.0 110.1 30.9 4.7 18.4 74 84 A L - 0 0 6 -2,-0.5 -22,-0.8 -3,-0.1 6,-0.1 -0.665 22.8-109.4 -80.5 138.7 34.2 3.0 17.7 75 85 A D > - 0 0 97 -2,-0.3 3,-1.7 -24,-0.1 -26,-0.1 -0.255 34.6 -99.0 -63.4 154.9 34.6 -0.5 19.0 76 86 A P T 3 S+ 0 0 52 0, 0.0 -27,-3.9 0, 0.0 -1,-0.1 0.754 121.0 42.5 -45.6 -41.5 37.0 -1.2 22.0 77 87 A K T 3 S+ 0 0 151 -29,-0.3 2,-0.3 -28,-0.1 107,-0.3 0.564 95.7 95.6 -87.4 -12.2 40.0 -2.5 19.8 78 88 A V < - 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