==== 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 3LWO . 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) . 22976.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 20.8 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 . 34 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 3 1 2 1 1 1 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 4 4 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 0 207 0, 0.0 2,-0.5 0, 0.0 140,-0.1 0.000 360.0 360.0 360.0 44.0 38.3 8.3 -2.1 2 12 A I - 0 0 96 138,-0.1 155,-0.0 155,-0.1 5,-0.0 -0.940 360.0-172.7-122.1 112.9 35.3 10.6 -1.7 3 13 A L > - 0 0 1 -2,-0.5 3,-2.5 1,-0.1 4,-0.4 -0.703 41.0-111.3 -88.4 150.6 32.6 10.5 1.0 4 14 A P G > S+ 0 0 64 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.854 117.7 69.4 -47.1 -40.1 29.5 12.8 0.7 5 15 A A G 3 S+ 0 0 22 1,-0.3 94,-0.0 185,-0.0 -3,-0.0 0.785 95.9 57.6 -45.1 -28.6 31.0 14.7 3.7 6 16 A D G < S+ 0 0 52 -3,-2.5 -1,-0.3 2,-0.1 -4,-0.0 0.648 72.4 126.6 -85.0 -18.9 33.7 15.8 1.2 7 17 A I < - 0 0 83 -3,-1.8 2,-0.3 -4,-0.4 -4,-0.0 -0.063 64.2-114.7 -49.6 140.6 31.5 17.5 -1.5 8 18 A K - 0 0 198 1,-0.0 2,-0.5 0, 0.0 -1,-0.1 -0.620 29.6-161.7 -84.5 132.3 32.7 21.0 -2.3 9 19 A R - 0 0 72 -2,-0.3 2,-0.3 253,-0.0 255,-0.1 -0.960 8.9-144.6-120.2 125.6 30.3 23.9 -1.4 10 20 A E - 0 0 148 -2,-0.5 253,-2.4 1,-0.0 2,-0.7 -0.655 20.3-128.8 -82.6 142.2 30.4 27.4 -2.8 11 21 A V E -A 262 0A 67 -2,-0.3 251,-0.3 251,-0.2 2,-0.2 -0.840 22.4-160.1 -97.9 113.4 29.4 30.2 -0.5 12 22 A L E -A 261 0A 44 249,-3.0 249,-2.4 -2,-0.7 2,-0.4 -0.627 9.9-135.2 -90.5 148.7 26.8 32.6 -1.9 13 23 A I E +A 260 0A 91 -2,-0.2 247,-0.2 247,-0.2 3,-0.1 -0.879 26.5 169.4-107.9 135.3 26.2 36.1 -0.5 14 24 A K S S+ 0 0 46 245,-3.2 2,-0.4 -2,-0.4 246,-0.2 0.750 78.7 23.7-109.2 -40.0 22.8 37.6 0.2 15 25 A D - 0 0 47 244,-1.9 -1,-0.2 1,-0.1 3,-0.2 -0.881 59.4-173.7-133.3 101.8 23.6 40.8 2.1 16 26 A E S S+ 0 0 143 -2,-0.4 -1,-0.1 1,-0.2 243,-0.0 0.801 81.8 59.7 -61.0 -33.2 27.1 42.2 1.6 17 27 A N S S+ 0 0 114 2,-0.0 -1,-0.2 242,-0.0 242,-0.0 0.912 71.3 117.2 -67.6 -48.8 26.7 44.9 4.3 18 28 A A - 0 0 34 -3,-0.2 2,-0.3 1,-0.1 -3,-0.0 0.185 40.1-179.9 -26.6 124.6 26.0 42.7 7.3 19 29 A E - 0 0 169 2,-0.0 2,-0.5 0, 0.0 222,-0.4 -0.941 21.6-128.2-129.2 154.9 28.7 43.1 10.0 20 30 A T - 0 0 41 -2,-0.3 220,-0.0 256,-0.1 255,-0.0 -0.895 17.4-126.9-110.9 134.6 29.0 41.5 13.4 21 31 A N > - 0 0 56 -2,-0.5 3,-1.8 1,-0.1 -2,-0.0 -0.676 11.4-146.0 -80.7 119.6 29.5 43.3 16.7 22 32 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.483 93.3 69.3 -65.7 -9.1 32.6 42.0 18.6 23 33 A D T 3 S+ 0 0 145 3,-0.0 2,-0.3 0, 0.0 -2,-0.0 0.770 93.1 72.9 -75.6 -25.8 30.9 42.6 22.0 24 34 A W S < S- 0 0 67 -3,-1.8 290,-0.2 291,-0.0 289,-0.1 -0.699 91.4 -5.1-100.4 140.8 28.4 39.8 21.3 25 35 A G S S- 0 0 4 288,-1.3 289,-0.0 -2,-0.3 284,-0.0 -0.011 71.8 -93.8 78.9 176.8 29.0 36.0 21.3 26 36 A F - 0 0 65 5,-0.0 -1,-0.1 0, 0.0 4,-0.1 -0.807 26.2-149.2-138.5 94.6 32.0 33.9 21.7 27 37 A P > - 0 0 26 0, 0.0 3,-1.0 0, 0.0 251,-0.1 -0.342 39.5-102.3 -50.2 142.5 33.9 32.7 18.6 28 38 A P G > S+ 0 0 23 0, 0.0 3,-0.9 0, 0.0 2,-0.6 0.775 121.9 49.0 -47.3 -42.9 35.5 29.3 19.4 29 39 A E G 3 S+ 0 0 138 1,-0.2 7,-0.0 197,-0.0 0, 0.0 -0.303 107.5 57.0 -93.5 51.0 39.0 30.8 19.9 30 40 A K G < S+ 0 0 98 -3,-1.0 -1,-0.2 -2,-0.6 3,-0.0 0.072 80.9 112.0-160.4 14.0 37.7 33.4 22.2 31 41 A R S < S- 0 0 2 -3,-0.9 5,-0.1 -5,-0.1 -5,-0.0 -0.886 74.8-111.7-105.7 124.4 36.0 31.2 24.8 32 42 A P >> - 0 0 65 0, 0.0 4,-2.3 0, 0.0 3,-1.2 -0.269 38.6-108.8 -46.6 132.3 37.3 30.8 28.3 33 43 A I H 3> S+ 0 0 1 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.785 120.0 57.3 -34.0 -42.1 38.7 27.2 28.6 34 44 A E H 3> S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.931 111.4 39.2 -61.8 -48.1 35.7 26.4 30.8 35 45 A M H <> S+ 0 0 37 -3,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.773 108.5 63.9 -71.7 -27.3 33.1 27.4 28.2 36 46 A H H < S+ 0 0 0 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.883 107.2 44.1 -62.2 -36.4 35.3 25.9 25.5 37 47 A I H >< S+ 0 0 17 -4,-1.7 3,-2.2 -5,-0.3 52,-0.2 0.957 106.4 57.5 -71.9 -53.4 34.6 22.6 27.3 38 48 A Q H 3< S+ 0 0 54 -4,-2.0 50,-1.0 1,-0.3 51,-0.7 0.800 120.4 32.7 -46.3 -33.4 30.9 23.1 27.8 39 49 A F T 3< S+ 0 0 7 -4,-1.7 188,-1.9 49,-0.2 -1,-0.3 -0.320 104.2 116.7-118.6 49.3 30.7 23.5 24.0 40 50 A G E < -G 226 0B 0 -3,-2.2 46,-2.7 186,-0.2 2,-0.3 -0.762 45.9-156.8-121.9 160.1 33.5 21.1 23.1 41 51 A V E -GH 225 85B 0 184,-2.7 184,-3.1 -2,-0.3 2,-0.6 -0.996 14.4-139.8-135.0 141.2 34.1 17.8 21.2 42 52 A I E -GH 224 84B 0 42,-3.2 42,-3.0 -2,-0.3 2,-1.7 -0.884 3.5-151.1-105.3 119.9 36.9 15.3 21.6 43 53 A N E - H 0 83B 0 -2,-0.6 156,-1.4 180,-0.5 2,-0.3 -0.646 35.3-168.6 -83.1 81.7 38.3 13.7 18.5 44 54 A L E -iH 199 82B 0 -2,-1.7 38,-3.5 38,-1.3 2,-1.1 -0.545 28.1-147.7 -86.0 138.3 39.3 10.6 20.5 45 55 A D E -iH 200 81B 12 154,-2.1 156,-0.5 -2,-0.3 36,-0.2 -0.791 28.8-143.7 -96.1 87.4 41.5 7.7 19.3 46 56 A K E - H 0 80B 0 34,-2.3 34,-1.6 -2,-1.1 6,-0.1 -0.280 10.5-134.3 -52.0 127.5 39.8 4.9 21.1 47 57 A P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 304,-0.1 -0.418 28.5 -96.8 -73.6 160.7 42.3 2.2 22.3 48 58 A P S S+ 0 0 2 0, 0.0 304,-0.3 0, 0.0 29,-0.2 -0.452 97.9 42.5 -74.3 153.2 41.6 -1.5 21.8 49 59 A G S S+ 0 0 38 27,-1.4 29,-0.1 1,-0.3 28,-0.1 -0.642 90.5 79.3 117.5 -74.1 40.1 -3.5 24.6 50 60 A P S S- 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 -0.176 79.8-110.5 -68.2 157.7 37.3 -1.4 26.2 51 61 A T >> - 0 0 52 1,-0.1 4,-1.9 -3,-0.1 3,-0.6 -0.648 32.0-115.4 -80.9 148.3 33.8 -0.9 24.9 52 62 A S H 3> S+ 0 0 0 22,-1.0 4,-1.8 -2,-0.3 5,-0.2 0.816 116.4 58.7 -54.5 -30.8 33.2 2.7 23.6 53 63 A H H 3> S+ 0 0 117 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.901 104.8 47.9 -68.4 -40.7 30.7 3.1 26.4 54 64 A E H <> S+ 0 0 95 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.876 107.7 57.8 -64.9 -40.2 33.2 2.4 29.1 55 65 A V H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 3,-0.5 0.955 106.6 45.3 -54.2 -57.2 35.7 4.8 27.5 56 66 A V H X S+ 0 0 8 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.787 110.1 58.1 -59.8 -28.0 33.3 7.8 27.7 57 67 A A H X S+ 0 0 49 -4,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.874 104.5 49.2 -69.9 -37.1 32.6 6.7 31.3 58 68 A W H X S+ 0 0 43 -4,-2.0 4,-1.4 -3,-0.5 -2,-0.2 0.800 111.4 52.0 -67.8 -29.2 36.3 7.0 32.2 59 69 A I H X S+ 0 0 1 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.907 106.0 50.9 -76.4 -41.3 36.3 10.4 30.6 60 70 A K H <>S+ 0 0 79 -4,-2.1 5,-2.7 1,-0.2 -1,-0.2 0.823 114.9 44.6 -63.6 -30.6 33.3 11.7 32.5 61 71 A K H <5S+ 0 0 128 -4,-1.2 -1,-0.2 3,-0.2 -2,-0.2 0.794 118.4 42.0 -87.0 -27.3 34.8 10.6 35.8 62 72 A I H <5S+ 0 0 11 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.2 0.797 121.7 38.2 -89.3 -33.8 38.3 11.9 35.0 63 73 A L T <5S- 0 0 11 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.448 110.5-122.4 -91.6 -3.2 37.4 15.2 33.5 64 74 A N T 5 + 0 0 131 -5,-0.3 2,-0.3 -4,-0.2 -3,-0.2 0.988 55.9 156.3 53.1 66.2 34.6 15.6 36.0 65 75 A L < - 0 0 20 -5,-2.7 -1,-0.2 -6,-0.1 3,-0.1 -0.792 42.2-155.1-116.5 159.5 31.8 15.8 33.5 66 76 A E S S+ 0 0 169 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.497 80.5 26.6-112.6 -9.9 28.1 15.1 33.8 67 77 A K + 0 0 99 -7,-0.1 20,-2.5 2,-0.0 -1,-0.3 -0.970 57.5 147.0-153.7 141.1 27.3 14.4 30.2 68 78 A A E -J 86 0B 16 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.770 18.3-167.2-171.9 122.9 29.2 13.2 27.2 69 79 A G E -J 85 0B 21 16,-1.7 16,-2.4 -2,-0.2 2,-0.2 -0.972 9.7-148.3-123.3 128.7 28.0 11.1 24.2 70 80 A H E -J 84 0B 27 -2,-0.5 14,-0.2 14,-0.2 3,-0.1 -0.556 17.7-127.3 -86.0 156.2 30.2 9.4 21.6 71 81 A G S S+ 0 0 2 12,-1.9 -1,-0.2 1,-0.2 3,-0.1 0.413 75.9 9.7 -73.6-141.5 29.1 8.9 18.1 72 82 A G S S- 0 0 14 1,-0.2 2,-0.6 21,-0.1 -1,-0.2 -0.109 86.4-112.7 -46.6 119.0 29.1 5.6 16.2 73 83 A T - 0 0 81 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 -0.387 28.4-149.3 -60.9 105.3 29.8 2.8 18.7 74 84 A L - 0 0 5 -2,-0.6 -22,-1.0 -3,-0.1 -21,-0.2 -0.595 24.1-112.1 -71.5 132.3 33.2 1.3 18.0 75 85 A D > - 0 0 85 -2,-0.3 3,-1.6 -24,-0.1 -26,-0.1 -0.215 32.7-100.2 -61.4 156.8 33.3 -2.4 18.9 76 86 A P T 3 S+ 0 0 53 0, 0.0 -27,-1.4 0, 0.0 -1,-0.1 0.866 119.7 44.0 -45.8 -52.8 35.6 -3.5 21.8 77 87 A K T 3 S+ 0 0 163 -29,-0.2 107,-0.3 -28,-0.1 2,-0.3 0.582 97.3 96.6 -76.0 -9.1 38.6 -4.7 19.7 78 88 A V < - 0 0 4 -3,-1.6 2,-0.2 -28,-0.1 107,-0.2 -0.603 54.1-164.6 -91.4 140.2 38.5 -1.7 17.3 79 89 A S E + k 0 185B 0 105,-1.4 107,-2.9 -2,-0.3 2,-0.2 -0.682 36.8 56.9-113.3 169.0 40.6 1.4 17.5 80 90 A G E S+Hk 46 186B 0 -34,-1.6 -34,-2.3 105,-0.2 2,-0.2 -0.705 79.2 20.0 115.1-160.7 40.5 4.9 16.0 81 91 A V E +H 45 0B 0 105,-2.8 -36,-0.2 -2,-0.2 107,-0.1 -0.252 50.6 163.2 -62.7 112.6 38.3 7.9 15.6 82 92 A L E -H 44 0B 0 -38,-3.5 -38,-1.3 -2,-0.2 2,-0.3 -0.904 28.1-146.0-126.9 100.1 35.5 8.1 18.2 83 93 A P E -H 43 0B 0 0, 0.0 -12,-1.9 0, 0.0 2,-0.6 -0.512 12.0-163.4 -71.3 124.2 34.0 11.6 18.4 84 94 A V E -HJ 42 70B 0 -42,-3.0 -42,-3.2 -2,-0.3 2,-0.3 -0.925 4.8-154.1-112.9 110.2 33.0 12.5 22.0 85 95 A A E -HJ 41 69B 0 -16,-2.4 -16,-1.7 -2,-0.6 2,-0.3 -0.636 19.3-136.4 -82.2 136.6 30.6 15.4 22.3 86 96 A L E > - J 0 68B 0 -46,-2.7 3,-3.3 -2,-0.3 4,-0.3 -0.731 35.8 -60.7-105.9 140.7 30.8 17.2 25.6 87 97 A E G > S+ 0 0 21 -20,-2.5 3,-1.6 -2,-0.3 4,-0.2 0.057 126.8 14.9 40.5-111.8 28.2 18.6 28.1 88 98 A K G 3 S+ 0 0 104 -50,-1.0 3,-0.3 1,-0.3 -1,-0.3 0.652 128.9 54.6 -74.4 -13.3 26.2 21.2 26.3 89 99 A A G X S+ 0 0 0 -3,-3.3 3,-2.0 -51,-0.7 4,-0.3 0.282 74.8 111.2 -97.0 9.4 27.4 20.2 22.9 90 100 A T G X + 0 0 18 -3,-1.6 3,-1.6 -4,-0.3 -5,-0.2 0.878 67.5 61.0 -53.6 -41.7 26.3 16.6 23.4 91 101 A R G > S+ 0 0 97 -3,-0.3 3,-1.0 1,-0.3 -1,-0.3 0.445 80.9 82.2 -75.3 2.4 23.5 16.7 20.9 92 102 A V G X> + 0 0 0 -3,-2.0 3,-3.7 1,-0.2 4,-0.7 0.722 67.5 84.7 -74.1 -21.1 25.7 17.5 17.9 93 103 A V H X> S+ 0 0 21 -3,-1.6 4,-2.5 -4,-0.3 3,-0.7 0.729 76.2 74.2 -49.2 -17.4 26.5 13.8 17.6 94 104 A Q H <4 S+ 0 0 67 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.613 93.2 49.9 -75.9 -11.3 23.2 13.9 15.6 95 105 A A H <4 S+ 0 0 4 -3,-3.7 -1,-0.3 2,-0.1 -2,-0.2 0.587 117.7 43.0 -91.3 -15.7 25.2 15.5 12.8 96 106 A L H X< S+ 0 0 0 -3,-0.7 3,-3.2 -4,-0.7 -2,-0.2 0.936 96.1 64.9 -94.2 -64.3 27.7 12.7 13.2 97 107 A L T 3< S+ 0 0 80 -4,-2.5 -3,-0.1 1,-0.3 -1,-0.1 0.730 108.6 46.0 -32.5 -42.2 26.0 9.3 13.6 98 108 A P T 3 S+ 0 0 86 0, 0.0 62,-0.7 0, 0.0 -1,-0.3 0.733 94.2 102.1 -73.7 -26.2 24.6 9.6 10.0 99 109 A A S < S- 0 0 13 -3,-3.2 -3,-0.1 -4,-0.2 -4,-0.0 -0.199 82.3 -93.0 -66.6 151.6 27.8 10.7 8.4 100 110 A G - 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