==== 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 3LWQ . COMPND 2 MOLECULE: PSEUDOURIDINE SYNTHASE CBF5; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR J.ZHOU,B.LIANG,C.LV,W.YANG,H.LI . 486 4 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 21.0 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 . 32 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 22.6 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 0 0 4 0 3 0 2 1 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 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 12 A I 0 0 163 0, 0.0 155,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 116.2 37.4 11.5 -2.0 2 13 A L > - 0 0 5 97,-0.1 3,-2.1 187,-0.1 4,-0.2 -0.748 360.0-101.2-108.2 163.0 34.1 11.6 -0.0 3 14 A P G > S+ 0 0 65 0, 0.0 3,-1.6 0, 0.0 -1,-0.0 0.786 118.3 63.5 -49.9 -35.7 30.9 13.6 -0.7 4 15 A A G 3 S+ 0 0 29 1,-0.3 94,-0.0 185,-0.0 0, 0.0 0.655 89.3 71.9 -67.3 -14.0 31.8 16.2 1.9 5 16 A D G < + 0 0 68 -3,-2.1 -1,-0.3 2,-0.1 2,-0.0 0.510 69.0 120.2 -81.3 -5.8 34.8 17.1 -0.2 6 17 A I < - 0 0 100 -3,-1.6 2,-0.3 -4,-0.2 -4,-0.0 -0.334 68.4-120.2 -60.5 137.8 32.8 18.8 -2.9 7 18 A K - 0 0 191 -2,-0.0 2,-0.5 1,-0.0 -1,-0.1 -0.627 28.2-146.0 -77.2 138.1 33.6 22.4 -3.5 8 19 A R - 0 0 69 -2,-0.3 2,-0.2 253,-0.0 255,-0.1 -0.917 5.8-132.4-111.7 131.3 30.6 24.7 -2.9 9 20 A E - 0 0 131 -2,-0.5 253,-2.9 253,-0.1 2,-0.6 -0.553 19.7-138.5 -69.6 142.1 29.9 27.9 -4.8 10 21 A V E -A 261 0A 70 251,-0.2 2,-0.4 -2,-0.2 251,-0.2 -0.924 13.9-157.5-103.7 111.8 29.0 30.8 -2.5 11 22 A L E -A 260 0A 33 249,-2.6 249,-2.6 -2,-0.6 2,-0.5 -0.756 9.7-141.9 -86.8 136.5 26.1 32.9 -3.8 12 23 A I E +A 259 0A 96 -2,-0.4 247,-0.3 247,-0.2 3,-0.2 -0.864 24.6 171.3 -99.3 128.5 25.9 36.5 -2.5 13 24 A K S S+ 0 0 47 245,-2.1 2,-0.5 -2,-0.5 246,-0.2 0.835 76.2 27.9-102.5 -47.1 22.4 37.9 -1.8 14 25 A D > - 0 0 48 244,-1.6 3,-0.7 1,-0.1 -1,-0.3 -0.914 63.5-176.3-117.7 102.3 23.1 41.2 0.0 15 26 A E T 3 S+ 0 0 141 -2,-0.5 -1,-0.1 1,-0.2 243,-0.0 0.744 81.0 54.6 -70.6 -21.0 26.5 42.6 -1.2 16 27 A N T 3 S+ 0 0 122 2,-0.0 -1,-0.2 242,-0.0 2,-0.2 0.589 78.3 112.2 -92.5 -14.5 26.3 45.6 1.2 17 28 A A < + 0 0 31 -3,-0.7 2,-0.2 241,-0.1 -3,-0.1 -0.429 38.6 170.9 -66.3 128.5 25.8 43.7 4.5 18 29 A E - 0 0 162 -2,-0.2 2,-0.4 0, 0.0 222,-0.4 -0.748 28.4-109.5-125.4 178.2 28.7 43.9 7.0 19 30 A T - 0 0 46 -2,-0.2 220,-0.0 256,-0.1 255,-0.0 -0.896 17.7-121.3-121.1 141.5 28.9 42.8 10.6 20 31 A N > - 0 0 52 -2,-0.4 3,-1.4 1,-0.1 256,-0.1 -0.692 17.5-150.7 -78.8 120.0 29.1 44.7 13.9 21 32 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.640 89.4 65.2 -66.7 -16.8 32.3 43.7 15.8 22 33 A D T 3 S+ 0 0 146 3,-0.1 2,-0.4 -3,-0.0 -2,-0.0 0.566 90.7 76.0 -88.1 -6.1 30.9 44.4 19.2 23 34 A W S < S- 0 0 73 -3,-1.4 290,-0.2 290,-0.0 289,-0.1 -0.867 93.6 -4.3-106.2 138.8 28.3 41.6 19.0 24 35 A G S S- 0 0 11 288,-1.8 289,-0.0 -2,-0.4 0, 0.0 -0.084 76.5 -94.5 78.5 177.8 29.0 37.9 19.3 25 36 A F - 0 0 72 5,-0.0 4,-0.2 6,-0.0 5,-0.1 -0.872 28.1-142.1-137.9 100.6 32.3 36.2 19.8 26 37 A P > - 0 0 26 0, 0.0 3,-0.6 0, 0.0 4,-0.4 -0.338 38.6-100.0 -56.6 148.0 34.2 34.8 16.7 27 38 A P G > S+ 0 0 23 0, 0.0 2,-1.7 0, 0.0 3,-1.6 0.832 121.8 50.9 -40.1 -56.0 35.8 31.5 17.6 28 39 A E G 3 S+ 0 0 174 1,-0.2 7,-0.0 197,-0.0 0, 0.0 -0.300 108.2 54.5 -83.1 55.4 39.3 33.0 18.1 29 40 A K G < S+ 0 0 130 -2,-1.7 -1,-0.2 -3,-0.6 3,-0.0 0.250 77.3 115.7-157.9 -10.6 38.0 35.6 20.4 30 41 A R S < S- 0 0 1 -3,-1.6 5,-0.1 -4,-0.4 -5,-0.0 -0.560 72.9-115.6 -72.9 122.8 36.3 33.4 22.9 31 42 A P >> - 0 0 58 0, 0.0 4,-2.2 0, 0.0 3,-1.6 -0.336 38.1-105.5 -53.8 143.1 37.7 33.5 26.4 32 43 A I H 3> S+ 0 0 2 1,-0.3 4,-1.1 2,-0.2 5,-0.1 0.738 120.4 54.5 -52.7 -30.4 39.0 29.9 27.1 33 44 A E H 3> S+ 0 0 117 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.911 114.1 42.5 -66.0 -40.0 36.2 29.0 29.4 34 45 A M H <> S+ 0 0 39 -3,-1.6 4,-0.7 1,-0.2 -2,-0.2 0.767 106.1 62.5 -76.9 -29.2 33.8 30.0 26.7 35 46 A H H < S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.774 106.4 46.9 -63.7 -27.8 35.9 28.3 24.1 36 47 A I H >< S+ 0 0 15 -4,-1.1 3,-2.1 -3,-0.3 52,-0.2 0.852 101.9 61.4 -81.6 -40.5 35.2 25.0 26.1 37 48 A Q H 3< S+ 0 0 55 -4,-1.5 51,-0.5 1,-0.3 50,-0.4 0.705 119.3 30.4 -58.5 -22.7 31.5 25.4 26.4 38 49 A F T 3< S+ 0 0 6 -4,-0.7 188,-1.9 49,-0.2 -1,-0.3 -0.071 101.5 130.5-127.2 33.9 31.3 25.4 22.7 39 50 A G E < -G 225 0B 0 -3,-2.1 46,-2.6 186,-0.2 2,-0.4 -0.543 40.0-163.2 -99.6 152.3 34.3 23.2 22.1 40 51 A V E -GH 224 84B 2 184,-2.9 184,-2.5 44,-0.2 2,-0.5 -0.997 11.8-150.8-132.2 125.7 34.9 20.1 20.0 41 52 A I E -GH 223 83B 0 42,-3.5 42,-3.1 -2,-0.4 2,-1.2 -0.847 8.3-146.4 -96.5 131.2 37.9 17.8 20.6 42 53 A N E - H 0 82B 0 180,-0.5 156,-2.3 -2,-0.5 2,-0.3 -0.750 34.1-165.0 -94.0 86.9 39.3 15.9 17.7 43 54 A L E -iH 198 81B 0 38,-1.2 38,-4.1 -2,-1.2 2,-1.0 -0.561 26.7-149.2 -90.9 135.6 40.3 12.9 19.7 44 55 A D E - H 0 80B 14 154,-2.2 156,-0.4 -2,-0.3 36,-0.2 -0.817 29.2-143.9 -94.5 92.5 42.6 10.0 18.7 45 56 A K E - H 0 79B 0 34,-2.4 34,-1.6 -2,-1.0 3,-0.1 -0.319 11.4-130.4 -60.6 134.5 41.1 7.1 20.7 46 57 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 303,-0.1 -0.473 28.4 -94.2 -79.4 154.6 43.6 4.6 22.1 47 58 A P S S+ 0 0 13 0, 0.0 303,-0.3 0, 0.0 29,-0.2 -0.499 103.1 37.0 -56.9 134.4 43.3 0.8 21.7 48 59 A G S S+ 0 0 39 27,-3.3 28,-0.1 1,-0.3 2,-0.1 -0.472 90.4 78.9 126.6 -63.7 41.5 -0.7 24.7 49 60 A P S S- 0 0 12 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.392 75.3-113.1 -79.7 159.2 38.7 1.5 26.0 50 61 A T > - 0 0 51 1,-0.1 4,-2.0 -2,-0.1 3,-0.3 -0.504 32.9-108.7 -81.8 162.4 35.2 1.8 24.6 51 62 A S H > S+ 0 0 0 22,-1.0 4,-1.6 1,-0.2 5,-0.1 0.895 119.7 55.0 -61.4 -35.3 34.2 5.2 23.1 52 63 A H H > S+ 0 0 127 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.858 106.2 48.6 -66.1 -39.0 31.9 5.7 26.1 53 64 A E H >> S+ 0 0 101 -3,-0.3 4,-2.9 2,-0.2 3,-0.7 0.983 107.5 55.0 -66.6 -52.6 34.6 5.2 28.7 54 65 A V H 3X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.3 -1,-0.2 0.856 110.1 48.5 -40.4 -44.3 37.0 7.5 27.0 55 66 A V H 3X S+ 0 0 11 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.3 0.826 108.1 52.6 -72.6 -30.6 34.2 10.1 27.2 56 67 A A H S+ 0 0 74 -4,-1.8 5,-1.9 1,-0.2 -1,-0.3 0.882 113.5 43.7 -59.3 -38.1 34.3 14.5 31.6 60 71 A K H ><5S+ 0 0 148 -4,-2.0 3,-0.7 -3,-0.5 -2,-0.2 0.933 116.0 44.9 -73.9 -45.9 36.0 13.6 34.9 61 72 A I H 3<5S+ 0 0 27 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.926 119.7 37.9 -69.5 -45.8 39.5 15.0 34.2 62 73 A L T 3<5S- 0 0 8 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.277 108.5-122.1 -88.4 9.9 38.4 18.4 32.7 63 74 A N T < 5 + 0 0 113 -3,-0.7 -3,-0.2 -5,-0.1 2,-0.2 0.918 59.2 149.2 46.9 55.3 35.5 18.6 35.2 64 75 A L < - 0 0 20 -5,-1.9 -1,-0.1 -6,-0.3 3,-0.1 -0.530 41.0-155.4-101.4 177.7 32.8 18.9 32.6 65 76 A E S S+ 0 0 164 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.486 74.9 43.4-130.5 -12.8 29.2 17.7 32.9 66 77 A K + 0 0 110 -7,-0.1 20,-1.9 2,-0.0 -1,-0.3 -0.970 58.5 135.2-135.9 148.6 28.2 17.2 29.2 67 78 A A E -J 85 0B 14 -2,-0.3 2,-0.4 18,-0.3 18,-0.2 -0.539 19.2-175.5 166.4 121.7 30.0 15.5 26.3 68 79 A G E -J 84 0B 23 16,-1.6 16,-2.6 -2,-0.2 2,-0.1 -0.975 17.8-135.6-130.6 145.4 29.0 13.1 23.6 69 80 A H E -J 83 0B 27 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.463 16.4-123.2 -94.8 169.8 31.2 11.5 21.0 70 81 A G S S+ 0 0 3 12,-2.0 -1,-0.2 1,-0.3 3,-0.1 0.268 77.1 0.0 -84.1-143.9 30.4 11.0 17.3 71 82 A G S S- 0 0 13 1,-0.1 -1,-0.3 21,-0.1 2,-0.1 -0.195 88.3-110.3 -48.3 123.0 30.4 7.6 15.5 72 83 A T - 0 0 76 -3,-0.1 2,-0.4 9,-0.1 -1,-0.1 -0.309 27.2-153.1 -63.6 132.0 31.3 5.0 18.0 73 84 A L - 0 0 5 -3,-0.1 -22,-1.0 4,-0.1 6,-0.1 -0.853 21.4-116.6-100.1 142.4 34.6 3.2 17.7 74 85 A D > - 0 0 85 -2,-0.4 3,-1.1 -24,-0.1 -26,-0.1 -0.479 31.0-103.4 -76.6 150.2 35.0 -0.3 19.1 75 86 A P T 3 S+ 0 0 51 0, 0.0 -27,-3.3 0, 0.0 -1,-0.1 0.782 120.4 46.3 -38.6 -45.0 37.4 -1.0 22.0 76 87 A K T 3 S+ 0 0 136 -29,-0.2 107,-0.2 -28,-0.1 2,-0.1 0.853 99.8 85.4 -77.2 -30.7 40.1 -2.5 19.8 77 88 A V < - 0 0 6 -3,-1.1 107,-0.2 -30,-0.1 2,-0.2 -0.358 59.4-165.5 -76.9 146.1 39.9 0.3 17.2 78 89 A S E + k 0 184B 0 105,-1.5 107,-2.4 -2,-0.1 2,-0.1 -0.534 33.9 56.4-114.7-177.6 41.8 3.6 17.4 79 90 A G E S+Hk 45 185B 0 -34,-1.6 -34,-2.4 105,-0.2 107,-0.2 -0.393 78.2 27.1 101.2-165.3 41.8 7.0 15.7 80 91 A V E +H 44 0B 0 105,-1.8 -36,-0.2 -36,-0.2 107,-0.1 -0.074 52.8 162.4 -43.9 101.7 39.4 9.9 15.0 81 92 A L E -H 43 0B 0 -38,-4.1 -38,-1.2 -2,-0.1 2,-0.1 -0.873 29.5-145.9-121.9 97.1 36.7 10.1 17.6 82 93 A P E -H 42 0B 1 0, 0.0 -12,-2.0 0, 0.0 2,-0.5 -0.446 15.1-163.8 -66.8 131.1 35.1 13.6 17.6 83 94 A V E -HJ 41 69B 0 -42,-3.1 -42,-3.5 -14,-0.2 2,-0.6 -0.971 5.1-154.1-122.4 119.9 34.1 14.6 21.1 84 95 A A E -HJ 40 68B 1 -16,-2.6 -16,-1.6 -2,-0.5 2,-0.2 -0.814 13.5-147.0 -97.3 118.0 31.7 17.5 21.6 85 96 A L E > - J 0 67B 0 -46,-2.6 3,-2.5 -2,-0.6 4,-0.3 -0.569 44.1 -50.1 -87.8 144.2 31.9 19.3 24.9 86 97 A E G > S+ 0 0 19 -20,-1.9 3,-2.9 1,-0.3 4,-0.2 0.089 127.3 10.9 40.9-129.6 29.1 20.9 26.9 87 98 A K G 3 S+ 0 0 120 -50,-0.4 -1,-0.3 1,-0.3 3,-0.3 0.621 126.9 61.7 -60.5 -11.2 26.8 23.3 25.0 88 99 A A G X S+ 0 0 0 -3,-2.5 3,-2.1 -51,-0.5 4,-0.4 0.607 74.8 104.5 -83.7 -11.4 28.4 22.0 21.7 89 100 A T G X S+ 0 0 21 -3,-2.9 3,-1.5 -4,-0.3 -5,-0.2 0.780 72.5 53.6 -37.6 -52.8 27.2 18.4 22.5 90 101 A R G > S+ 0 0 100 1,-0.3 3,-2.5 -3,-0.3 4,-0.3 0.712 84.7 81.6 -65.7 -21.7 24.3 18.3 20.0 91 102 A V G X S+ 0 0 3 -3,-2.1 3,-2.3 1,-0.3 4,-0.3 0.762 77.1 77.7 -56.1 -22.4 26.4 19.3 16.9 92 103 A V G X> S+ 0 0 19 -3,-1.5 3,-2.3 -4,-0.4 4,-2.2 0.834 76.5 70.2 -54.3 -34.8 27.4 15.6 16.9 93 104 A Q G <4 S+ 0 0 75 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.699 97.7 53.2 -57.1 -18.5 24.0 14.8 15.4 94 105 A A G <4 S+ 0 0 0 -3,-2.3 -1,-0.3 -4,-0.3 4,-0.3 0.511 108.2 48.9 -93.6 -11.1 25.5 16.5 12.3 95 106 A L T X4 S+ 0 0 1 -3,-2.3 3,-0.8 -4,-0.3 -2,-0.2 0.792 94.5 74.1 -89.5 -37.5 28.6 14.3 12.3 96 107 A L T 3< S+ 0 0 87 -4,-2.2 -2,-0.1 1,-0.3 -3,-0.1 0.791 99.1 43.6 -50.4 -40.9 26.7 11.0 12.7 97 108 A P T 3 S+ 0 0 84 0, 0.0 62,-0.7 0, 0.0 -1,-0.3 0.802 93.3 99.8 -75.8 -30.0 25.5 11.0 9.0 98 109 A A S < S- 0 0 14 -3,-0.8 -3,-0.0 -4,-0.3 -4,-0.0 -0.085 79.7 -90.5 -66.8 160.3 28.8 12.0 7.3 99 110 A G - 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