==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/RNA 22-MAY-09 3HJY . COMPND 2 MOLECULE: PSEUDOURIDINE SYNTHASE CBF5; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR B.LIANG,J.ZHOU,E.KAHEN,R.M.TERNS,M.P.TERNS,H.LI . 373 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 23.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 22 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 1 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 PARALLEL BRIDGES PER LADDER . 2 5 3 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 1 0 0 0 0 1 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 0 146 0, 0.0 2,-0.4 0, 0.0 143,-0.1 0.000 360.0 360.0 360.0 88.1 -113.8 40.4 55.7 2 12 A I + 0 0 121 141,-0.2 158,-0.1 158,-0.0 5,-0.0 -0.974 360.0 179.4-126.0 121.3 -114.4 36.6 55.2 3 13 A L > - 0 0 4 -2,-0.4 3,-0.9 190,-0.1 159,-0.0 -0.420 48.8 -91.6 -99.5 179.8 -116.1 34.9 52.3 4 14 A P T 3 S+ 0 0 65 0, 0.0 3,-0.3 0, 0.0 158,-0.0 0.531 120.0 56.8 -74.7 -2.8 -116.6 31.1 51.8 5 15 A A T 3 S+ 0 0 26 1,-0.2 -3,-0.0 188,-0.1 94,-0.0 0.473 85.9 75.6-108.1 -4.0 -113.3 30.7 49.9 6 16 A D < + 0 0 76 -3,-0.9 2,-0.6 2,-0.1 -1,-0.2 0.067 64.1 110.6-100.8 23.7 -110.8 32.0 52.5 7 17 A I - 0 0 112 -3,-0.3 2,-0.2 -5,-0.0 -5,-0.0 -0.894 68.2-129.9 -97.2 121.5 -110.8 29.0 54.8 8 18 A K - 0 0 182 -2,-0.6 2,-0.1 1,-0.1 -2,-0.1 -0.491 20.8-155.8 -76.0 136.8 -107.5 27.2 54.6 9 19 A R - 0 0 89 -2,-0.2 2,-0.3 257,-0.1 -1,-0.1 -0.441 18.6-109.3 -97.5 174.8 -107.5 23.4 54.1 10 20 A E - 0 0 130 -2,-0.1 256,-1.1 2,-0.0 2,-1.1 -0.844 26.4-119.9-101.7 148.1 -104.9 20.8 55.0 11 21 A V E -A 265 0A 85 -2,-0.3 2,-0.3 254,-0.2 254,-0.2 -0.752 32.4-153.8 -86.7 96.2 -102.8 19.0 52.3 12 22 A L E -A 264 0A 17 252,-2.2 252,-2.5 -2,-1.1 2,-0.5 -0.580 5.8-143.6 -79.5 128.9 -103.7 15.3 52.8 13 23 A I E +A 263 0A 83 -2,-0.3 250,-0.2 250,-0.2 3,-0.2 -0.797 30.3 162.3-102.8 126.3 -101.0 12.8 51.6 14 24 A K S S+ 0 0 48 248,-3.0 2,-0.9 -2,-0.5 249,-0.2 0.834 81.2 36.0-103.6 -54.8 -101.8 9.5 50.0 15 25 A D S S- 0 0 59 247,-1.2 3,-0.3 1,-0.1 -1,-0.3 -0.827 76.4-163.1-102.3 92.3 -98.6 8.5 48.4 16 26 A E S S+ 0 0 159 -2,-0.9 2,-0.3 1,-0.3 -1,-0.1 0.667 81.3 30.2 -54.5 -24.2 -96.1 9.8 51.0 17 27 A N S S+ 0 0 135 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.785 79.4 142.7-139.9 93.2 -93.2 9.6 48.5 18 28 A A - 0 0 44 -3,-0.3 2,-0.3 -2,-0.3 244,-0.0 -0.895 25.4-160.1-127.6 160.5 -94.1 10.1 44.8 19 29 A E - 0 0 182 -2,-0.3 2,-0.4 2,-0.0 225,-0.3 -0.967 8.3-143.3-142.4 152.9 -92.3 11.8 41.9 20 30 A T - 0 0 38 -2,-0.3 3,-0.0 259,-0.1 223,-0.0 -0.974 19.3-127.4-122.6 135.5 -92.9 13.3 38.5 21 31 A N > - 0 0 56 -2,-0.4 3,-1.0 1,-0.1 -2,-0.0 -0.671 11.5-150.6 -78.8 119.6 -90.7 13.2 35.4 22 32 A P T 3 S+ 0 0 96 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.826 81.8 84.8 -55.6 -34.8 -90.2 16.8 34.0 23 33 A D T 3 S+ 0 0 141 1,-0.2 2,-0.6 3,-0.0 -2,-0.0 0.713 92.5 42.9 -45.8 -37.0 -89.7 15.4 30.4 24 34 A W S < S+ 0 0 89 -3,-1.0 2,-0.3 294,-0.0 -1,-0.2 -0.783 103.6 54.4-116.0 90.0 -93.5 15.4 29.7 25 35 A G - 0 0 15 -2,-0.6 292,-0.1 -3,-0.2 291,-0.0 -0.874 58.3-131.2 165.8 163.0 -95.1 18.5 31.0 26 36 A F - 0 0 68 -2,-0.3 5,-0.1 5,-0.0 -3,-0.0 -0.858 24.6-152.7-137.0 99.1 -95.4 22.3 31.2 27 37 A P - 0 0 43 0, 0.0 254,-0.1 0, 0.0 255,-0.1 -0.308 32.6-108.2 -65.7 156.9 -95.6 23.8 34.7 28 38 A P S > S+ 0 0 28 0, 0.0 3,-0.7 0, 0.0 253,-0.1 0.914 113.7 62.0 -55.8 -41.1 -97.5 27.1 34.9 29 39 A E T 3 S+ 0 0 153 1,-0.2 2,-1.0 200,-0.0 -3,-0.0 0.929 110.7 26.8 -46.7 -76.2 -94.1 28.8 35.6 30 40 A K T 3 S+ 0 0 158 2,-0.0 -1,-0.2 6,-0.0 3,-0.0 -0.612 75.1 139.4-105.1 75.1 -92.1 28.1 32.4 31 41 A R < - 0 0 2 -2,-1.0 2,-0.1 -3,-0.7 5,-0.1 -0.886 64.5 -94.8-101.1 145.7 -94.5 27.6 29.5 32 42 A P >> - 0 0 57 0, 0.0 3,-2.8 0, 0.0 4,-1.8 -0.390 37.5-115.4 -60.8 135.1 -93.4 29.2 26.2 33 43 A I H 3> S+ 0 0 3 1,-0.3 4,-1.4 2,-0.2 3,-0.4 0.829 111.9 58.6 -42.4 -48.2 -95.0 32.6 25.8 34 44 A E H 3> S+ 0 0 126 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.681 114.3 36.9 -61.1 -20.2 -97.0 31.7 22.8 35 45 A M H <> S+ 0 0 39 -3,-2.8 4,-1.3 2,-0.2 -1,-0.3 0.628 100.8 72.2-106.4 -21.4 -98.8 28.9 24.7 36 46 A H H < S+ 0 0 6 -4,-1.8 194,-0.2 -3,-0.4 -2,-0.2 0.858 103.2 47.6 -56.7 -34.8 -99.0 30.7 28.0 37 47 A I H >< S+ 0 0 13 -4,-1.4 3,-2.3 -5,-0.2 52,-0.3 0.940 102.9 58.7 -70.2 -51.2 -101.6 32.7 26.1 38 48 A Q H 3< S+ 0 0 51 -4,-0.7 51,-1.2 1,-0.3 50,-1.2 0.787 119.9 32.9 -46.7 -27.3 -103.4 29.6 24.8 39 49 A F T 3< S+ 0 0 6 -4,-1.3 191,-2.8 49,-0.2 -1,-0.3 -0.027 102.0 105.1-124.9 29.5 -103.8 28.7 28.5 40 50 A G E < -G 229 0B 0 -3,-2.3 46,-2.9 189,-0.2 2,-0.4 -0.682 46.7-158.5-111.3 161.9 -104.2 32.0 30.2 41 51 A V E -GH 228 85B 0 187,-3.5 187,-2.3 44,-0.3 2,-0.5 -0.993 20.1-138.1-130.9 131.0 -106.8 34.2 31.8 42 52 A I E -GH 227 84B 0 42,-3.1 42,-2.7 -2,-0.4 2,-1.4 -0.778 11.4-135.3 -87.9 131.1 -106.3 37.9 32.2 43 53 A N E - H 0 83B 0 183,-0.5 159,-2.8 -2,-0.5 2,-0.3 -0.731 39.2-162.0 -75.1 95.3 -107.4 39.5 35.5 44 54 A L E -iH 202 82B 0 -2,-1.4 38,-2.9 38,-0.9 2,-0.8 -0.670 24.5-148.4 -89.4 141.0 -109.1 42.4 33.8 45 55 A D E -iH 203 81B 15 157,-2.0 159,-0.7 -2,-0.3 36,-0.2 -0.883 28.1-144.8 -96.0 98.1 -110.0 45.8 35.3 46 56 A K E - H 0 80B 0 34,-2.7 34,-1.2 -2,-0.8 3,-0.1 -0.430 7.5-138.9 -63.2 125.3 -113.1 46.6 33.3 47 57 A P - 0 0 2 0, 0.0 2,-0.1 0, 0.0 307,-0.1 -0.435 28.7 -99.4 -70.0 162.4 -113.5 50.3 32.6 48 58 A P S S+ 0 0 1 0, 0.0 307,-0.4 0, 0.0 29,-0.2 -0.414 98.3 50.1 -70.2 161.3 -117.0 51.8 32.8 49 59 A G S S+ 0 0 39 27,-1.5 2,-0.2 305,-0.1 28,-0.1 -0.682 86.4 75.5 116.8 -78.2 -118.7 52.2 29.5 50 60 A P S S- 0 0 6 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.528 84.3-110.9 -64.0 134.6 -118.5 49.0 27.4 51 61 A T > - 0 0 30 -2,-0.2 4,-1.0 1,-0.1 24,-0.1 -0.173 39.8-101.2 -48.4 159.4 -120.7 46.2 28.3 52 62 A S H > S+ 0 0 0 22,-0.6 4,-1.3 1,-0.2 3,-0.3 0.851 121.7 44.0 -66.0 -32.6 -118.8 43.3 29.7 53 63 A H H > S+ 0 0 117 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.906 105.1 61.9 -78.2 -36.0 -118.8 41.2 26.6 54 64 A E H > S+ 0 0 83 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.682 102.2 55.0 -64.1 -16.6 -118.0 44.2 24.4 55 65 A V H >X S+ 0 0 0 -4,-1.0 4,-2.2 -3,-0.3 3,-0.7 0.967 105.9 47.9 -73.2 -60.2 -114.8 44.4 26.4 56 66 A V H 3X S+ 0 0 10 -4,-1.3 4,-2.7 1,-0.3 -2,-0.2 0.852 105.1 65.5 -46.6 -41.3 -113.8 40.8 25.6 57 67 A A H 3X S+ 0 0 37 -4,-2.8 4,-1.7 1,-0.2 -1,-0.3 0.945 106.7 37.7 -39.1 -65.5 -114.7 41.8 22.1 58 68 A W H <>S+ 0 0 77 -4,-2.7 5,-1.9 -3,-0.2 3,-1.2 0.987 115.0 41.7 -50.9 -69.4 -109.8 39.5 21.1 61 71 A K H ><5S+ 0 0 153 -4,-1.7 3,-2.1 1,-0.3 -2,-0.2 0.892 114.4 50.2 -48.6 -54.9 -109.2 41.9 18.2 62 72 A I H 3<5S+ 0 0 30 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.739 118.7 37.4 -65.4 -24.1 -106.4 43.8 19.8 63 73 A L T <<5S- 0 0 6 -4,-1.3 -1,-0.3 -3,-1.2 -2,-0.2 0.177 107.7-121.2-108.1 17.2 -104.5 40.6 20.7 64 74 A N T < 5 + 0 0 128 -3,-2.1 2,-0.3 -4,-0.2 -3,-0.2 0.913 59.6 156.0 30.5 59.4 -105.4 38.7 17.6 65 75 A L < - 0 0 21 -5,-1.9 2,-0.4 -6,-0.2 -1,-0.2 -0.777 36.8-149.6 -98.6 151.9 -107.0 36.1 19.7 66 76 A E S S+ 0 0 139 -2,-0.3 21,-0.2 1,-0.3 0, 0.0 -0.982 72.6 8.4-118.0 136.7 -109.7 33.8 18.5 67 77 A K S S+ 0 0 123 -2,-0.4 20,-0.6 1,-0.2 -1,-0.3 0.926 70.2 155.8 56.2 104.1 -112.2 32.7 21.2 68 78 A A E -J 86 0B 15 18,-0.2 2,-0.3 -3,-0.1 18,-0.2 -0.971 15.8-168.7-148.0 151.9 -112.0 34.3 24.7 69 79 A G E -J 85 0B 16 16,-3.1 16,-2.8 -2,-0.3 2,-0.2 -0.871 10.8-128.2-137.7 170.8 -114.6 34.7 27.4 70 80 A H E -J 84 0B 39 14,-0.3 14,-0.2 -2,-0.3 3,-0.2 -0.736 14.2-122.1-122.4 166.9 -115.3 36.4 30.7 71 81 A G S S- 0 0 7 12,-2.4 2,-0.3 -2,-0.2 -1,-0.2 0.598 79.8 -0.5 -76.1-134.6 -116.4 35.7 34.2 72 82 A G S S- 0 0 8 1,-0.1 2,-0.3 21,-0.0 -1,-0.2 -0.432 87.8-107.0 -62.9 119.7 -119.5 37.2 36.0 73 83 A T - 0 0 96 -2,-0.3 2,-0.5 -3,-0.2 -1,-0.1 -0.275 36.2-158.0 -55.8 108.6 -121.1 39.5 33.6 74 84 A L - 0 0 2 -2,-0.3 -22,-0.6 1,-0.1 -1,-0.1 -0.802 20.3-119.9 -88.6 126.6 -120.3 42.9 34.9 75 85 A D - 0 0 86 -2,-0.5 3,-0.4 -24,-0.1 -1,-0.1 0.020 30.9 -89.1 -65.8 173.8 -122.7 45.6 33.6 76 86 A P S S+ 0 0 58 0, 0.0 -27,-1.5 0, 0.0 -1,-0.1 0.849 121.4 35.4 -46.4 -50.6 -121.9 48.6 31.5 77 87 A K S S+ 0 0 159 -29,-0.2 110,-0.3 -28,-0.1 2,-0.1 0.641 93.3 96.1 -93.9 -17.9 -121.3 51.1 34.3 78 88 A V - 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