==== 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 3LWV . 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) . 22484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 68.4 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 . 31 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 23.5 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 2 2 0 2 1 0 2 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 0 204 0, 0.0 2,-0.5 0, 0.0 140,-0.1 0.000 360.0 360.0 360.0 23.5 39.4 8.7 -2.2 2 12 A I - 0 0 100 138,-0.1 155,-0.1 155,-0.1 5,-0.0 -0.853 360.0-174.1-114.7 127.2 36.3 10.9 -2.3 3 13 A L > - 0 0 1 -2,-0.5 3,-2.4 97,-0.1 4,-0.4 -0.820 40.4-110.7-111.1 156.6 33.3 11.0 0.0 4 14 A P G > S+ 0 0 65 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.704 116.1 67.3 -58.7 -21.6 30.1 13.0 -0.5 5 15 A A G 3 S+ 0 0 25 1,-0.2 94,-0.0 185,-0.0 -3,-0.0 0.649 93.8 61.7 -70.8 -14.5 31.1 15.3 2.4 6 16 A D G < S+ 0 0 55 -3,-2.4 -1,-0.2 2,-0.1 -4,-0.0 0.656 72.0 119.5 -86.7 -18.8 34.0 16.4 0.2 7 17 A I < - 0 0 95 -3,-0.8 2,-0.3 -4,-0.4 -4,-0.0 -0.204 64.9-126.8 -51.7 137.9 31.9 17.9 -2.5 8 18 A K - 0 0 190 1,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.705 24.1-146.3 -86.3 140.4 32.6 21.6 -2.9 9 19 A R - 0 0 69 -2,-0.3 2,-0.4 253,-0.0 255,-0.1 -0.784 8.1-125.1-110.6 152.2 29.7 24.0 -2.7 10 20 A E - 0 0 110 -2,-0.3 253,-2.6 253,-0.2 2,-0.7 -0.771 20.6-136.6 -90.4 135.8 28.9 27.3 -4.4 11 21 A V E -A 262 0A 67 -2,-0.4 2,-0.4 251,-0.2 251,-0.3 -0.851 16.5-157.8 -89.9 117.4 28.1 30.3 -2.2 12 22 A L E -A 261 0A 38 249,-3.8 249,-2.9 -2,-0.7 2,-0.6 -0.851 11.9-136.8 -94.4 133.1 25.1 32.2 -3.6 13 23 A I E +A 260 0A 90 -2,-0.4 247,-0.3 247,-0.2 3,-0.2 -0.798 28.4 168.8 -92.9 121.2 24.9 35.9 -2.4 14 24 A K S S+ 0 0 44 245,-0.7 2,-0.4 -2,-0.6 246,-0.2 0.841 76.4 25.0 -97.8 -41.7 21.5 37.2 -1.4 15 25 A D > - 0 0 43 244,-1.5 3,-1.3 1,-0.1 -1,-0.2 -0.860 59.7-178.3-126.1 98.3 22.3 40.5 0.3 16 26 A E T 3 S+ 0 0 142 -2,-0.4 -1,-0.1 1,-0.3 243,-0.0 0.703 83.1 60.1 -66.3 -19.4 25.6 42.0 -0.9 17 27 A N T 3 S+ 0 0 120 2,-0.0 -1,-0.3 242,-0.0 2,-0.1 0.590 75.7 117.8 -87.1 -11.8 25.1 44.9 1.5 18 28 A A < + 0 0 33 -3,-1.3 2,-0.3 241,-0.2 -3,-0.0 -0.361 38.3 176.0 -63.5 128.5 25.0 42.8 4.7 19 29 A E - 0 0 170 -2,-0.1 222,-0.4 2,-0.0 2,-0.4 -0.838 23.7-124.1-123.3 162.7 27.8 43.6 7.1 20 30 A T - 0 0 48 -2,-0.3 220,-0.0 256,-0.1 255,-0.0 -0.896 14.8-128.2-112.4 146.8 28.5 42.2 10.6 21 31 A N > - 0 0 47 -2,-0.4 3,-1.7 1,-0.1 -2,-0.0 -0.817 12.5-152.2 -90.9 117.7 28.9 44.2 13.8 22 32 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.488 89.0 68.9 -73.9 -2.8 32.2 43.1 15.6 23 33 A D T 3 S+ 0 0 138 3,-0.0 2,-0.4 0, 0.0 -2,-0.0 0.503 90.9 76.9 -87.4 -6.5 30.8 44.0 19.1 24 34 A W S < S- 0 0 71 -3,-1.7 290,-0.2 290,-0.0 289,-0.1 -0.860 90.8 -8.8-113.6 140.2 28.3 41.1 18.9 25 35 A G S S- 0 0 3 288,-2.0 289,-0.0 -2,-0.4 287,-0.0 0.034 75.5 -88.8 73.1 177.6 28.9 37.4 19.4 26 36 A F - 0 0 63 5,-0.0 -1,-0.1 3,-0.0 5,-0.1 -0.880 27.2-149.1-133.1 102.4 32.1 35.5 19.7 27 37 A P > - 0 0 33 0, 0.0 3,-2.3 0, 0.0 251,-0.1 -0.376 43.1 -97.0 -57.0 149.8 33.9 34.1 16.7 28 38 A P G > S+ 0 0 24 0, 0.0 3,-0.8 0, 0.0 250,-0.0 0.757 123.3 46.4 -42.5 -41.7 35.7 30.9 17.6 29 39 A E G 3 S+ 0 0 137 1,-0.2 7,-0.0 197,-0.0 -3,-0.0 0.109 104.6 60.8 -97.0 23.2 39.1 32.6 18.2 30 40 A K G < S+ 0 0 102 -3,-2.3 -1,-0.2 2,-0.1 0, 0.0 0.079 82.7 111.7-126.8 14.4 37.7 35.4 20.2 31 41 A R S < S- 0 0 3 -3,-0.8 5,-0.1 -5,-0.1 -5,-0.0 -0.815 72.6-120.0 -98.3 126.6 36.4 33.0 22.9 32 42 A P >> - 0 0 63 0, 0.0 4,-2.3 0, 0.0 3,-1.3 -0.331 38.6-105.9 -54.0 146.2 37.9 32.9 26.4 33 43 A I H 3> S+ 0 0 1 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.837 120.3 55.7 -48.8 -39.8 39.2 29.3 27.0 34 44 A E H 3> S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.845 110.2 44.4 -65.3 -33.9 36.3 28.5 29.3 35 45 A M H <> S+ 0 0 39 -3,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.867 107.4 59.7 -77.3 -39.5 33.7 29.4 26.6 36 46 A H H < S+ 0 0 1 -4,-2.3 3,-0.4 2,-0.2 -2,-0.2 0.906 108.1 46.1 -47.6 -48.5 35.8 27.5 23.9 37 47 A I H >< S+ 0 0 16 -4,-2.0 3,-2.1 1,-0.2 52,-0.2 0.966 105.3 57.6 -64.3 -55.0 35.3 24.4 26.0 38 48 A Q H 3< S+ 0 0 57 -4,-1.8 50,-1.2 1,-0.3 51,-0.6 0.752 121.4 30.9 -43.3 -28.8 31.6 24.9 26.6 39 49 A F T 3< S+ 0 0 7 -4,-1.1 188,-2.1 -3,-0.4 -1,-0.3 -0.285 103.1 117.3-128.5 45.3 31.2 24.9 22.8 40 50 A G E < -G 226 0B 0 -3,-2.1 46,-2.5 46,-0.3 2,-0.4 -0.734 45.5-156.1-120.1 162.4 34.1 22.6 21.8 41 51 A V E -GH 225 85B 1 184,-2.4 184,-2.8 -2,-0.3 2,-0.5 -1.000 14.1-140.8-138.1 134.5 34.6 19.3 20.1 42 52 A I E - H 0 84B 0 42,-3.1 42,-2.9 -2,-0.4 2,-1.4 -0.854 4.5-150.4 -98.7 127.2 37.5 17.0 20.5 43 53 A N E - H 0 83B 0 -2,-0.5 156,-2.3 180,-0.4 2,-0.2 -0.698 35.7-168.4 -85.1 79.5 39.0 15.1 17.6 44 54 A L E -iH 199 82B 0 -2,-1.4 38,-3.1 38,-1.3 2,-1.0 -0.488 26.9-143.5 -78.7 140.9 40.0 12.2 19.8 45 55 A D E - H 0 81B 14 154,-2.1 156,-0.4 36,-0.2 36,-0.2 -0.823 29.1-146.4 -95.2 88.6 42.4 9.4 18.6 46 56 A K E - H 0 80B 0 34,-2.3 34,-1.5 -2,-1.0 6,-0.1 -0.314 9.3-134.9 -56.2 136.0 40.7 6.6 20.5 47 57 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 31,-0.1 -0.659 26.0 -97.9 -88.2 153.4 43.1 3.9 21.7 48 58 A P S S+ 0 0 2 0, 0.0 29,-0.3 0, 0.0 31,-0.1 -0.473 99.3 48.8 -63.3 136.4 42.5 0.2 21.3 49 59 A G S S+ 0 0 44 27,-3.2 29,-0.1 1,-0.3 302,-0.0 -0.714 89.9 67.0 138.4 -83.2 41.1 -1.4 24.5 50 60 A P S S- 0 0 17 0, 0.0 -1,-0.3 0, 0.0 2,-0.0 -0.242 80.1-108.9 -71.7 154.8 38.1 0.6 26.0 51 61 A T > - 0 0 47 1,-0.1 4,-1.9 -3,-0.1 24,-0.1 -0.232 33.7-108.3 -72.4 172.3 34.7 1.1 24.5 52 62 A S H > S+ 0 0 1 22,-0.6 4,-2.1 1,-0.2 5,-0.2 0.859 120.0 55.6 -74.1 -31.8 33.8 4.5 23.1 53 63 A H H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 107.4 46.9 -64.9 -46.3 31.4 5.0 26.0 54 64 A E H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 3,-0.2 0.956 109.2 55.5 -60.3 -52.3 34.1 4.4 28.7 55 65 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.908 109.3 46.4 -44.6 -52.9 36.5 6.7 26.9 56 66 A V H X S+ 0 0 10 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.867 109.3 55.4 -60.3 -37.0 34.0 9.5 27.0 57 67 A A H X S+ 0 0 52 -4,-1.9 4,-1.9 -3,-0.2 -2,-0.2 0.893 107.1 49.8 -64.6 -39.5 33.3 8.8 30.7 58 68 A W H X S+ 0 0 43 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.929 108.5 53.1 -61.5 -48.4 37.0 9.2 31.5 59 69 A I H X S+ 0 0 2 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.907 108.5 50.4 -52.9 -46.4 37.1 12.5 29.7 60 70 A K H <>S+ 0 0 73 -4,-2.1 5,-2.9 2,-0.2 4,-0.4 0.923 115.2 41.1 -59.4 -47.2 34.2 13.8 31.7 61 71 A K H <5S+ 0 0 124 -4,-1.9 3,-0.5 3,-0.2 -2,-0.2 0.938 118.4 46.2 -70.8 -43.8 35.7 12.9 35.0 62 72 A I H <5S+ 0 0 13 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.841 120.3 37.3 -71.5 -35.7 39.2 14.0 34.2 63 73 A L T <5S- 0 0 9 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.406 109.8-121.5 -91.4 2.7 38.2 17.3 32.6 64 74 A N T 5 + 0 0 126 -3,-0.5 2,-0.3 -4,-0.4 -3,-0.2 0.983 54.3 163.2 56.0 59.3 35.5 17.9 35.2 65 75 A L < - 0 0 23 -5,-2.9 -1,-0.2 -6,-0.1 3,-0.1 -0.856 40.3-152.2-110.6 148.1 32.7 18.1 32.6 66 76 A E S S+ 0 0 174 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.874 79.5 16.2 -77.3 -41.8 29.0 17.8 33.1 67 77 A K + 0 0 100 -7,-0.1 20,-2.6 2,-0.0 2,-0.2 -0.966 60.2 149.9-141.3 145.5 28.1 16.6 29.6 68 78 A A E -J 86 0B 17 -2,-0.3 2,-0.3 18,-0.3 18,-0.2 -0.847 13.0-172.5-172.6 142.6 29.8 15.0 26.6 69 79 A G E -J 85 0B 20 16,-1.8 16,-2.4 -2,-0.2 2,-0.2 -0.994 15.6-135.7-138.4 146.4 28.8 12.6 23.8 70 80 A H E -J 84 0B 31 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.520 15.1-130.0 -91.6 167.3 30.7 10.9 21.0 71 81 A G S S+ 0 0 4 12,-1.7 -1,-0.2 1,-0.3 3,-0.1 0.279 77.5 5.8 -82.8-141.3 29.8 10.4 17.3 72 82 A G S S- 0 0 13 24,-0.1 -1,-0.3 1,-0.1 2,-0.1 -0.143 86.6-114.3 -45.6 122.8 29.9 7.1 15.6 73 83 A T - 0 0 81 -3,-0.1 2,-0.4 9,-0.1 -1,-0.1 -0.381 26.0-152.6 -61.1 134.7 30.7 4.4 18.1 74 84 A L - 0 0 5 -3,-0.1 -22,-0.6 -2,-0.1 6,-0.0 -0.905 22.7-111.9-106.2 140.8 34.0 2.6 17.6 75 85 A D > - 0 0 78 -2,-0.4 3,-1.1 -24,-0.1 -26,-0.1 -0.232 33.4-102.7 -65.6 157.8 34.4 -1.0 18.9 76 86 A P T 3 S+ 0 0 43 0, 0.0 -27,-3.2 0, 0.0 -1,-0.1 0.847 120.1 44.0 -52.7 -40.5 36.7 -1.7 21.8 77 87 A K T 3 S+ 0 0 116 -29,-0.3 107,-0.3 2,-0.0 2,-0.2 0.627 97.8 93.3 -84.3 -13.0 39.7 -3.0 19.7 78 88 A V < - 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